#DEFINITION	Reference Metabolome for Lonicera maackii
#IDENTTFIER	RefMeta-Lonicera maackii.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Lonicera maackii
#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 Lonicera maackii 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	1000.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04992	8.7
71.08621	0.5
71.53998	0.3
79.05490	7.7
79.98486	0.4
81.03416	9.2
81.03892	0.5
81.07054	100.0
83.01353	0.4
83.04987	0.6
83.08617	2.1
85.02904	8.0
85.06545	7.1
85.45427	0.3
87.04452	2.1
88.86650	0.3
89.03909	0.9
89.06020	2.3
91.05484	2.6
93.07043	10.6
94.04198	0.5
95.04964	6.6
95.08604	19.7
97.02884	8.6
97.06495	0.8
97.10164	11.5
99.04458	2.5
99.08075	1.8
103.05482	0.6
105.07013	3.6
107.04971	1.1
107.08595	5.8
109.02876	11.5
109.06498	4.1
109.10158	4.0
111.04435	1.4
111.08089	3.4
113.06004	0.9
115.03934	2.5
115.04654	0.4
115.04785	0.3
115.05437	2.4
117.03390	1.2
117.07033	0.8
119.04905	0.3
119.08613	0.6
121.06493	0.8
121.10114	2.7
122.03653	1.5
123.04440	0.8
123.08073	1.5
123.11703	85.8
125.05988	0.7
125.09660	0.5
127.03909	14.0
127.07535	0.6
127.11226	0.6
128.06198	0.4
129.07013	1.2
131.04903	0.8
131.08572	0.4
133.04984	1.4
133.10132	6.6
135.04413	2.0
135.11603	0.5
136.04742	0.4
137.05974	27.9
137.09584	0.5
139.03880	0.4
139.11188	1.2
141.12759	2.8
143.04913	3.8
144.05685	0.7
145.02827	1.4
145.04974	1.4
145.06479	1.0
145.10094	0.4
147.04428	0.5
149.06017	0.7
149.09625	0.6
150.07642	1.1
151.03818	0.6
151.07545	0.8
151.11177	15.8
153.01865	1.4
153.05457	0.9
157.06491	1.5
160.05176	5.4
161.06021	0.8
163.03894	9.5
163.07550	1.2
164.04195	1.8
165.05527	0.6
165.09172	0.9
167.07013	1.2
169.12233	46.8
172.05222	0.8
173.05960	0.4
174.06746	0.8
175.07541	36.5
176.07930	0.5
177.05440	0.5
177.09114	0.5
181.04915	0.7
184.07439	0.4
187.07556	12.1
187.13287	42.4
189.09100	2.7
191.06956	0.4
193.08586	0.5
193.12132	0.4
203.08636	0.4
205.08580	9.8
211.07555	0.7
211.13403	0.4
217.08574	1.5
219.08072	0.5
227.12759	0.5
229.14330	7.9
231.08139	0.4
231.13722	0.9
234.08784	0.5
235.09648	18.7
239.07062	0.9
241.07126	0.8
247.07678	0.6
248.08325	0.9
249.14790	2.4
259.07993	0.5
263.10611	1.0
265.14249	0.8
269.55191	0.3
270.08957	0.9
271.05914	0.5
271.09564	0.7
271.15424	0.6
276.07944	0.7
277.09006	0.5
277.14334	7.7
279.10205	0.9
287.05496	30.8
288.05826	13.6
291.10098	2.2
295.15393	36.9
296.10410	0.6
301.16574	1.8
309.11081	0.5
311.12692	1.1
313.16425	16.5
323.12790	4.8
331.17493	99.4
332.17822	0.9
341.13846	9.8
341.17920	0.3
409.18573	1.0
427.19638	1.4
445.20734	2.3
457.20551	1.3
463.21619	1.6
475.21561	0.9
493.22452	0.8
655.23920	0.5
675.22479	1.4
676.23285	2.8
948.65717	0.4
1000.36273	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26722	1.7
52.30502	1.8
56.96566	41.8
58.50546	5.2
58.96173	2.7
60.95860	6.6
61.22604	1.8
67.51070	14.4
69.79386	6.0
70.01332	4.1
76.51617	3.5
78.52972	2.2
79.01862	19.5
79.65546	2.1
80.81113	1.8
82.01465	3.7
82.99844	4.5
83.01534	8.7
84.01196	5.1
88.02387	5.6
90.82328	1.9
98.08508	1.9
100.02489	6.4
100.97198	3.0
101.00886	38.9
101.02551	28.1
102.00383	1.9
102.02251	8.6
118.03519	3.2
119.01922	100.0
119.03671	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.5
55.01862	1.0
55.05513	21.6
56.05028	0.7
56.05848	0.4
56.17233	0.3
56.77237	0.3
56.96569	4.2
57.03438	4.3
58.00579	0.3
58.06614	0.3
58.96171	0.8
59.05001	3.1
59.99935	0.6
60.04520	1.5
60.95850	1.2
62.38258	0.3
64.90480	0.3
67.51050	0.6
69.72132	0.7
69.72497	0.7
69.83640	0.3
71.01351	1.3
71.04996	3.5
73.02917	5.1
73.06554	4.0
74.06092	0.7
79.01852	1.0
82.01454	0.6
82.29112	0.3
82.99835	1.2
83.01511	1.4
83.04985	12.3
83.05495	0.6
84.01176	0.6
84.04506	1.2
85.02912	2.5
85.06539	0.4
89.00283	0.4
98.00775	0.5
100.02483	1.9
100.97224	0.4
101.00881	23.7
101.02512	7.5
101.06020	10.2
101.07948	0.6
102.00976	1.0
102.02254	2.1
102.05558	1.1
102.09165	1.1
102.12817	1.2
118.03535	1.2
119.01923	100.0
119.03664	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	1034.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02891	0.7
77.03905	0.5
79.05473	1.3
80.04981	0.3
81.03398	2.1
81.07040	0.3
83.01283	0.3
85.02901	9.1
87.04407	0.7
91.03917	0.5
91.05425	0.9
93.07021	0.6
95.04960	3.6
96.66505	0.3
97.02886	3.8
99.04397	0.9
103.03905	0.5
103.05409	1.1
105.03380	0.3
105.04464	0.7
105.06976	0.4
106.06519	0.7
107.04903	1.0
109.02858	1.5
109.06449	0.7
115.03883	0.5
115.05368	0.4
117.05719	0.6
117.06963	0.3
118.06535	3.0
119.24838	0.3
121.06458	0.6
123.04405	1.5
124.03916	0.8
127.03905	1.6
129.06931	0.7
130.06517	11.6
131.04855	0.9
132.08101	1.6
133.02777	0.7
135.04343	0.9
137.05940	0.8
139.03870	2.5
140.07033	0.5
142.06459	0.7
143.07317	1.4
144.08076	19.7
145.04893	1.0
146.05997	12.0
147.04416	0.4
149.05975	0.6
151.03903	2.3
153.05411	0.4
154.06516	2.4
155.07191	0.8
156.08067	3.6
157.08803	0.4
158.06026	0.6
158.09644	6.1
159.04349	1.1
159.09128	0.4
160.07529	0.6
163.03877	0.5
165.05473	16.7
167.07274	2.8
168.08069	11.7
169.07600	8.5
169.08803	0.4
170.06001	2.5
170.09616	1.1
171.09151	0.5
172.07489	0.7
176.07039	0.9
177.05377	1.1
179.07018	0.4
180.08055	4.3
181.04829	0.3
181.08824	1.0
182.06021	0.6
182.09651	4.5
184.07446	0.5
185.10770	0.3
186.09081	0.3
188.07053	27.1
189.05444	0.5
191.07082	1.3
192.08064	2.4
193.08777	0.7
194.05998	0.4
194.09618	2.1
195.06694	0.5
196.07608	1.6
197.08458	0.5
200.05330	0.3
200.07057	4.4
202.08505	0.6
204.08078	1.7
205.08916	0.8
206.09807	1.3
207.06667	0.3
208.07512	1.6
208.09518	0.6
208.11324	0.5
209.08226	1.0
210.09125	5.0
210.12399	0.4
212.07043	0.4
213.07817	0.9
214.08618	3.2
215.08154	3.5
217.09561	1.1
218.04515	0.3
218.09639	1.3
219.10367	0.7
220.07620	3.4
220.11118	2.0
221.08443	1.6
222.05592	0.5
222.09122	1.9
223.09805	0.3
224.07117	1.5
224.10683	0.3
225.07814	0.5
226.08661	1.1
226.10587	0.3
230.09711	1.4
231.11340	2.4
232.07649	0.5
232.11224	0.9
233.08281	0.5
234.09142	0.7
234.12732	1.1
235.06187	0.4
236.07031	1.2
237.07883	0.3
237.10176	0.5
238.08604	9.3
238.12222	0.8
240.10147	0.5
241.09396	0.5
243.10371	0.4
243.59209	0.3
244.11246	2.5
246.09096	0.5
246.12827	0.5
247.12268	0.7
248.07077	4.9
248.09579	0.4
248.10782	0.4
249.07745	1.0
250.08679	2.7
250.12360	0.3
251.09328	0.4
252.06602	0.3
252.10120	1.2
254.09567	0.8
256.11264	0.4
257.08380	0.5
258.09125	1.1
259.10123	0.3
260.10480	0.3
262.12186	2.0
263.08200	0.8
264.06577	0.6
264.10150	0.6
264.13831	0.7
265.09695	4.8
266.08026	2.2
267.08731	0.3
267.11282	0.6
270.11356	1.4
272.10641	3.7
274.08572	0.5
274.12234	0.7
275.09406	0.3
276.06659	0.4
276.10208	1.0
277.07391	0.6
278.08072	0.5
278.11792	0.2
280.09955	0.4
280.13327	1.1
282.09332	0.7
283.10083	0.4
283.14032	0.3
284.10788	0.5
286.08643	0.7
288.09888	0.4
290.11688	3.1
293.09204	0.9
293.12851	2.4
294.07565	1.6
295.08389	2.4
298.07288	0.4
298.10489	0.3
300.10260	2.2
302.11609	0.4
304.09589	0.7
304.13098	0.4
306.11270	0.6
308.12775	2.8
311.10269	3.7
311.13736	0.5
317.12839	0.9
318.11176	2.6
322.14319	3.1
325.11789	1.1
326.10022	0.9
327.10602	0.6
327.13885	0.3
328.09555	0.8
335.13901	3.7
336.12302	0.5
338.13882	0.4
340.15390	3.9
343.12888	8.2
345.12195	0.3
346.10553	1.9
350.13907	0.5
361.76859	0.3
363.13342	2.3
364.11746	1.5
367.16504	0.6
377.15155	0.5
378.13351	3.6
381.09479	0.3
381.14380	7.8
395.15979	11.0
396.14389	10.5
413.17044	44.9
414.17468	0.3
502.20566	0.9
525.18500	0.3
543.19629	1.1
557.21246	1.1
558.19641	8.5
575.22308	100.0
576.22766	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	1034.6107
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02918	2.3
75.04485	0.9
79.05500	2.7
81.03417	5.6
81.07056	24.9
83.05006	0.6
83.08611	8.8
85.02900	77.4
85.10168	0.7
86.99024	0.6
87.04465	45.6
90.24474	0.7
91.03962	2.1
91.05509	1.1
93.07054	0.8
95.04961	1.7
95.08603	34.7
97.02888	78.4
97.10159	11.3
98.03135	0.6
99.04467	5.3
99.08108	1.1
103.03951	1.9
105.07037	1.2
107.04992	0.7
107.08570	1.8
109.02875	5.7
109.10152	41.5
111.04435	1.7
111.11714	1.3
113.02377	0.7
115.03926	100.0
115.11185	3.4
117.05514	1.4
119.08559	0.6
121.10115	3.7
123.04414	1.8
123.11699	53.1
125.02338	0.9
127.03911	20.9
133.04961	84.7
134.05347	0.7
134.40543	0.6
135.04376	1.1
135.11687	1.3
137.02303	1.5
137.05968	3.4
137.13246	18.8
137.14302	1.0
139.03934	4.1
139.11192	1.8
139.14815	0.9
145.04951	32.1
147.04411	0.6
150.06477	1.2
150.07614	16.5
151.03896	1.4
157.04997	1.0
161.04448	1.7
161.05820	0.6
163.03850	2.2
163.06023	16.8
163.07350	0.6
165.05450	1.9
169.04930	2.9
174.67847	0.7
175.06012	1.4
177.16373	8.3
178.16760	0.8
179.17934	43.5
181.04872	0.8
187.06024	1.0
189.16246	0.7
193.04970	1.0
195.17404	6.5
197.18996	64.6
205.07129	1.3
209.08020	0.7
211.06001	1.5
213.18448	1.1
217.07111	0.8
223.05977	2.4
229.07011	2.0
241.07063	5.8
257.10855	0.6
257.18884	0.9
259.08115	19.8
266.67798	0.8
275.19983	2.4
277.09161	5.2
287.05450	1.1
287.21646	0.7
293.21136	3.0
295.10226	37.9
296.10406	1.4
296.94101	0.8
311.22177	3.6
323.22031	0.8
329.23209	34.1
341.22949	1.3
347.24298	5.5
359.24255	31.1
377.25308	25.4
462.44537	0.7
474.79770	0.6
525.23187	5.1
525.74408	0.8
526.23053	5.7
526.31750	2.5
531.27240	0.9
532.28223	0.8
775.82654	0.6
854.25391	0.8
868.21161	0.7
872.26721	0.8
1034.31531	0.9
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
58.06597	3.7
59.07374	1.1
60.08163	34.9
69.93649	0.2
69.94225	0.6
77.90977	0.2
79.48685	0.2
95.65380	0.2
104.10740	100.0
105.11067	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	1051.6186
Annotation	Unknow
Peak:m/z	Relative Intensity
75.42054	0.1
78.22184	0.1
115.03690	0.7
167.76593	0.1
239.53784	0.1
257.95844	0.1
259.07980	0.4
275.92242	0.1
294.56842	0.1
445.25400	0.6
537.30316	100.0
538.30695	1.4
597.15424	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	1054.559
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03922	2.5
79.05488	15.2
81.03413	5.1
81.07055	8.5
83.04980	3.6
83.08610	0.8
85.02903	5.1
87.04436	0.4
91.04939	0.8
91.05478	9.7
93.07039	11.5
94.04170	0.5
95.04962	30.9
95.08600	8.4
95.09208	0.5
97.02892	4.7
97.06511	1.2
99.04463	0.8
99.08051	0.4
103.03953	2.2
103.05467	6.7
105.03382	1.4
105.04504	4.9
105.07022	10.1
106.61409	0.4
107.04948	100.0
107.08583	8.6
108.05244	0.4
109.02871	33.4
109.06511	7.4
109.10144	4.6
111.04436	2.1
111.08076	3.9
115.05416	0.9
117.07002	2.2
119.04900	0.4
119.07742	0.6
119.08578	10.5
121.06502	11.6
121.10133	6.2
123.04425	6.3
123.08079	1.7
123.11708	1.8
125.02358	6.2
125.05990	1.7
125.09641	1.6
127.03908	7.2
127.04850	0.4
128.06229	0.5
129.06996	1.1
131.04936	4.3
131.08559	4.7
133.02844	4.0
133.06479	3.0
133.10120	6.6
133.11024	0.6
135.04428	3.3
135.08057	1.1
135.11681	3.7
137.05957	3.4
137.09602	0.9
139.03896	16.7
139.07523	1.0
141.05449	5.7
142.07750	0.7
143.07027	1.0
143.08549	2.2
144.09323	0.4
145.10114	9.4
147.04366	0.5
147.08041	0.6
147.11691	4.5
147.14261	0.3
149.05963	14.8
149.09619	2.1
149.13255	1.6
151.03896	29.3
151.07466	2.0
151.11157	1.0
153.05490	4.2
155.08533	0.5
156.09344	0.5
157.10123	3.6
159.04419	2.6
159.11673	7.3
161.05948	1.6
161.09628	0.5
161.13248	4.1
163.03923	0.8
163.07549	0.9
163.11189	0.8
163.14822	2.6
165.05466	72.8
167.07034	28.6
169.04979	0.4
169.10121	1.4
170.10898	0.5
171.11656	2.7
172.12468	0.4
173.13264	5.7
175.11154	0.5
175.14813	5.3
177.05463	31.6
177.12814	0.5
177.16376	1.6
179.07036	7.4
179.08595	0.5
181.04907	0.5
181.08591	0.9
183.11690	1.3
185.13234	4.9
187.11169	0.5
187.14804	8.2
189.12775	1.0
189.16353	3.3
191.06989	2.4
191.14325	2.4
191.18027	0.7
193.08583	6.9
193.15848	1.4
195.06526	15.3
195.10150	6.7
195.11673	0.6
197.08081	13.3
197.13190	2.0
199.14786	5.3
201.12625	0.6
201.16354	7.1
203.14282	2.7
203.17938	1.3
205.15839	5.2
206.00459	0.4
207.17450	0.7
209.08075	50.4
209.13229	0.9
211.09630	11.0
211.14801	1.9
213.07516	2.5
213.16347	3.8
215.14369	1.1
215.17987	1.2
217.15855	3.6
219.13841	0.5
219.17439	3.7
221.15271	0.6
225.16409	0.9
227.09125	22.4
227.17891	0.9
229.15862	1.6
231.17415	2.5
233.15384	0.6
233.18933	0.9
239.18073	0.9
241.19479	0.8
243.17470	0.5
245.15446	1.0
245.18929	0.4
251.16226	0.6
253.19511	0.6
257.18936	0.6
263.16357	0.5
267.20956	0.6
269.19006	0.5
269.22375	0.5
271.20670	0.5
277.17929	1.1
283.20560	0.8
295.08780	0.4
323.11438	0.6
339.10715	0.8
341.12244	1.6
355.13870	0.5
357.11838	0.5
371.13470	0.9
387.30276	0.7
389.14325	0.7
391.29584	0.8
393.31610	0.8
395.33197	1.9
403.30038	0.4
405.31430	6.2
407.32999	1.5
411.28717	0.5
421.31015	1.8
423.32510	8.7
425.34286	2.3
433.30893	1.6
437.30286	1.0
439.32169	2.9
441.33423	0.7
447.73865	0.4
449.30338	1.2
451.32031	6.8
455.31732	2.2
467.31607	5.9
469.33072	20.4
470.32513	0.5
485.32361	2.5
487.34186	2.1
503.33398	0.5
505.35013	0.7
552.32874	0.4
613.37238	0.5
617.37848	0.6
625.37067	0.8
629.36432	0.5
631.38348	9.9
645.37256	0.8
663.38922	4.5
681.40057	3.6
683.45587	0.4
695.41504	1.9
807.42139	1.4
825.44135	2.4
843.45160	2.4
857.46204	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
75.41309	0.2
81.07053	0.2
91.05468	0.3
91.87717	0.2
93.07069	0.2
95.04976	0.4
105.30373	0.2
107.05008	0.5
109.02910	0.2
131.05000	0.2
137.06042	0.7
151.03940	0.2
153.01900	0.2
163.03999	0.5
165.05453	0.4
167.07130	0.3
172.29416	0.2
175.03664	7.1
176.04468	0.4
177.04068	0.2
177.05403	0.5
177.78624	0.2
189.05354	0.3
195.06673	0.3
203.03297	0.7
204.04066	0.7
205.04718	13.4
217.04868	0.5
218.05482	5.3
219.06355	0.6
220.07178	0.2
227.09195	0.2
230.05699	0.2
231.06419	0.5
232.07066	4.7
232.09200	0.3
233.07874	0.3
248.06783	0.2
249.07426	1.0
261.07449	0.2
271.06137	0.4
287.05814	0.3
299.09085	0.3
325.10422	0.2
366.93146	0.2
401.12177	0.3
410.13361	0.3
415.13589	5.5
423.14612	0.3
425.12024	0.3
427.13708	0.6
429.15228	7.6
437.11884	0.5
438.13260	0.2
439.13947	0.7
440.14294	1.4
441.15723	0.6
445.15024	0.3
451.13943	0.4
452.14380	3.6
453.15155	1.7
465.15222	0.3
466.16229	0.8
601.20386	0.3
635.20715	0.8
637.22198	0.2
649.22522	12.0
661.22461	1.2
663.24091	2.5
665.21906	0.3
679.23572	6.5
680.23938	0.3
693.24994	1.0
862.29468	0.9
863.30359	0.4
1059.38196	100.0
1060.38416	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	1059.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05500	0.6
81.07047	0.2
91.05513	0.6
95.05001	0.6
97.02917	0.2
103.05482	0.3
107.04950	2.4
107.05592	0.2
109.02895	0.9
111.04428	0.2
119.04995	0.4
121.02910	0.2
121.06592	0.2
122.03684	0.2
135.04498	0.3
137.06001	1.1
139.03949	0.4
145.02946	0.4
147.04425	0.2
149.06035	0.3
151.03976	0.5
151.07620	0.4
153.01840	1.4
154.74185	0.2
161.06020	0.3
163.03955	0.6
163.07642	0.2
165.05508	1.4
165.09180	0.2
167.07098	0.6
171.02928	0.2
171.47728	0.1
172.82826	0.2
173.05878	0.2
175.03664	7.3
176.04541	0.5
177.05443	1.0
177.91496	0.2
179.03494	0.5
181.04984	0.2
195.06619	0.4
201.05367	0.2
203.03107	0.8
204.04060	0.4
205.04713	12.5
209.08182	0.7
217.04846	0.6
218.05487	5.0
219.06288	0.8
227.09248	0.4
228.07549	0.2
230.05482	0.2
231.06473	0.7
232.07054	4.4
232.09232	0.2
233.08058	0.2
245.08015	0.2
246.07486	0.2
249.07327	0.9
257.35461	0.2
271.06000	13.5
287.05597	0.7
287.08575	0.2
297.11270	0.3
299.09158	0.2
341.45151	0.2
384.12012	0.2
410.13333	0.3
415.13635	5.7
421.12625	0.3
423.14233	0.4
427.13730	0.6
429.15189	7.4
431.13708	0.1
437.12366	0.4
438.12955	0.3
439.13901	0.4
440.14380	1.4
441.15140	0.3
445.14618	0.2
451.14032	0.5
452.14407	2.6
453.15140	1.6
465.14798	0.2
466.16284	0.5
541.80511	0.2
573.14020	0.2
601.21588	0.2
617.20831	0.2
619.21893	0.2
621.19507	0.2
633.23230	0.2
635.20648	0.8
649.22485	10.7
661.22681	1.0
663.24182	1.9
665.21820	0.2
679.23523	6.2
679.34998	0.3
693.25507	0.7
771.20367	0.2
861.29376	0.2
862.30487	1.2
863.29712	0.2
897.22321	0.7
1059.38220	100.0
1060.38220	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	107.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.8
51.02376	1.6
53.03704	0.4
53.03947	6.7
54.11228	0.3
65.03927	0.4
70.09415	0.6
70.09739	0.3
74.12520	0.3
75.43556	0.3
77.03928	12.3
79.05495	15.5
81.03423	0.9
91.05482	2.4
95.04970	25.6
96.05303	0.8
105.04517	12.6
105.07016	0.8
107.04953	100.0
107.08590	0.9
108.05274	2.4
109.06474	0.3
113.19863	0.3
116.51226	0.3
119.06065	0.5
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	Unknow
Peak:m/z	Relative Intensity
50.01597	0.5
51.02380	1.7
53.03948	6.2
55.01875	0.4
57.84275	0.3
60.72039	0.4
64.27234	0.3
69.11543	0.7
69.11953	1.4
72.89997	0.3
77.03931	12.5
77.04376	0.7
79.05493	14.7
81.03413	0.8
86.45042	0.3
91.05474	1.6
92.04213	0.3
95.04968	27.2
96.05312	0.5
105.04518	13.2
105.06979	0.4
105.69286	0.3
107.04954	100.0
107.08594	0.9
108.05286	2.6
113.96786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02383	1.5
53.03705	0.4
53.03951	7.0
65.03976	0.3
69.12206	2.0
69.12523	0.6
77.03930	13.1
79.05493	15.1
81.03431	0.7
86.07505	0.3
91.05487	3.0
95.04969	26.8
96.05311	0.6
105.04517	12.5
105.07012	1.4
107.04954	100.0
107.08604	1.2
108.05317	2.7
109.06496	0.7
118.06554	0.4
119.06069	0.5
122.48641	0.3
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
50.01599	0.4
51.02377	0.9
53.03948	5.3
55.01864	2.0
65.03928	0.5
67.05536	0.3
69.25875	0.5
69.26266	0.7
77.03928	4.5
79.05493	22.6
80.04999	1.3
80.05804	0.6
81.03410	1.1
87.04563	0.3
91.05480	5.8
95.04967	22.7
96.04472	0.4
96.05286	0.6
97.04800	0.6
98.22678	0.6
100.44442	0.3
105.04520	12.6
105.06997	1.5
107.04955	100.0
107.06867	8.1
107.08545	2.5
108.04475	1.1
108.05290	2.3
108.08115	1.5
109.06501	1.2
110.89027	0.2
117.97672	0.3
118.06549	0.6
119.06047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.5
51.02386	0.8
51.49037	0.5
52.27484	0.5
53.03944	4.0
55.01869	1.0
58.93122	0.5
59.73150	0.6
65.03944	9.1
67.05497	1.4
69.27199	0.5
69.42119	2.3
77.03927	5.8
79.05490	25.4
80.05843	0.9
91.05480	100.0
92.05795	2.1
92.06261	1.9
95.04971	14.3
105.04523	7.2
105.07027	33.6
106.04166	0.6
106.07352	1.7
107.04954	56.7
107.06898	11.4
107.08591	50.1
108.04552	0.8
108.05294	1.9
108.08105	1.5
108.08911	1.7
109.06518	18.5
110.15597	0.6
112.25498	0.6
119.06063	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	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.6
53.03948	6.1
65.03942	8.4
67.05496	0.9
69.76250	2.1
70.75141	0.6
77.03929	9.0
79.05488	22.3
80.05798	0.8
91.05475	100.0
92.05795	1.8
92.06272	1.9
95.04963	21.8
98.22767	0.7
105.04510	12.3
105.07024	31.8
106.07379	1.2
107.04948	94.8
107.06916	2.2
107.08589	45.7
108.05289	3.0
108.08923	2.6
109.06507	19.4
109.07212	1.1
110.06850	0.8
119.06065	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	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.97163	0.5
51.02385	0.7
53.03955	4.3
55.01878	0.6
65.03939	9.3
67.05495	1.2
69.83182	2.0
76.26561	0.5
77.03931	7.7
79.05493	23.6
79.87103	0.5
91.05479	100.0
92.05794	2.5
92.06285	2.2
95.04968	19.7
95.40342	0.6
96.05298	0.6
98.23402	0.7
105.04511	9.8
105.07030	32.8
106.07337	1.2
107.04952	80.6
107.06891	2.5
107.08591	51.8
108.05303	3.3
108.08081	0.6
108.08897	1.9
109.06517	19.0
118.06498	0.8
119.06057	16.2
121.22670	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0289
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
51.02369	1.4
53.03947	21.7
55.01886	1.3
55.05510	5.9
58.74800	1.1
65.03941	3.7
67.05505	76.2
69.07064	3.7
69.99970	1.3
70.00321	2.4
79.05492	11.6
81.03416	66.4
81.07054	30.5
91.05488	2.4
94.04177	3.1
102.66151	0.9
107.08636	2.5
109.02876	100.0
109.05776	1.4
109.06515	15.7
109.07288	1.0
109.07635	2.3
109.10151	40.8
110.03210	1.6
110.06049	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	109.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.8
53.03949	18.2
55.05510	0.9
56.65412	0.7
67.05508	8.1
70.79899	1.0
77.95100	0.7
79.05494	4.2
81.03419	65.8
81.07061	6.1
82.03764	1.0
90.48102	0.7
103.14691	0.8
103.43604	0.8
109.02882	100.0
109.06532	3.6
109.10153	6.9
110.03204	2.9
110.06052	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0288
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
50.84550	0.9
51.02375	1.2
53.03946	15.3
53.51930	0.8
55.17112	0.8
57.83836	0.8
67.05502	9.2
79.05498	5.4
81.03415	62.6
81.07053	6.4
82.03761	0.9
93.03787	0.8
109.02876	100.0
109.06527	4.5
109.07620	1.2
109.10169	4.6
110.03192	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	109.0652
Annotation	4-Cresol
Peak:m/z	Relative Intensity
53.03944	7.5
55.01867	1.6
55.05512	4.5
65.03942	9.1
66.04726	1.0
67.05506	44.4
68.05853	0.9
69.07066	1.9
69.71847	1.9
79.05495	37.0
80.05831	1.2
81.02971	0.9
81.03422	11.1
81.07056	78.0
82.07384	1.8
91.05482	26.9
94.03578	1.5
94.04186	30.2
95.04486	0.8
95.05040	1.2
107.04956	14.4
107.08584	1.1
109.02892	12.1
109.06518	100.0
109.10156	23.9
110.06033	2.6
110.06866	3.7
110.10514	0.8
111.04430	2.2
116.22812	0.8
119.06057	2.3
121.04011	2.1
121.44951	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
53.27534	0.4
55.05512	10.1
60.29964	0.4
65.03947	3.7
67.05505	100.0
68.03403	0.4
68.05837	2.3
69.07071	5.1
79.05497	8.6
80.06260	0.7
81.03414	2.5
81.07057	32.4
82.07398	0.5
84.92718	0.4
91.05490	1.2
94.07839	1.1
98.23513	0.8
105.07015	0.7
107.04980	0.5
107.08584	3.8
108.65443	0.4
109.02882	1.9
109.06520	4.8
109.10155	60.7
110.06050	1.8
110.10490	1.8
112.34055	0.4
122.54943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03939	1.5
55.05261	0.8
55.05512	8.3
65.03938	4.8
67.05505	100.0
68.05836	1.4
69.07062	4.0
79.05487	6.2
81.03426	2.4
81.04550	0.8
81.07056	26.1
82.06569	1.2
82.35388	0.9
91.05479	1.2
94.04184	1.0
94.07826	0.9
96.88277	0.8
107.08579	3.1
109.04064	0.8
109.06544	4.7
109.07648	9.0
109.08360	1.5
109.10155	45.8
110.06043	19.8
110.10494	1.3
118.45705	0.8
129.41885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03940	1.6
55.05513	9.3
57.35351	1.0
58.74374	1.0
60.89002	0.7
65.03930	3.1
67.05502	100.0
67.24039	0.8
68.05828	1.5
69.07066	5.5
69.54659	3.0
75.55927	0.7
79.05511	7.6
80.06277	1.4
81.07054	34.2
82.06570	2.8
82.07376	0.9
90.10749	0.7
91.05476	1.6
107.08594	3.6
109.02940	0.9
109.06522	6.1
109.07639	8.7
109.08434	1.7
109.10151	60.4
110.06035	21.9
110.07190	0.9
110.10522	1.8
122.16604	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03942	0.8
55.05511	8.5
55.88944	0.6
58.42201	0.5
64.97576	0.5
65.03942	3.5
67.05505	100.0
68.05844	2.1
69.07069	5.3
79.05485	8.0
79.49830	0.6
80.06283	0.8
81.06564	1.3
81.07056	27.9
82.07394	0.6
88.88631	0.6
91.05466	0.7
94.07825	1.4
107.08576	3.0
109.06516	4.0
109.07645	2.2
109.10159	55.8
110.06055	5.4
110.10468	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03938	1.7
55.05506	8.7
60.78229	1.7
65.03936	4.2
67.05504	100.0
67.97234	1.4
68.05832	1.5
69.07069	6.5
79.05494	9.9
80.05012	1.6
81.03425	2.4
81.07054	31.4
82.06574	4.5
101.78490	1.7
105.42967	1.4
107.08580	4.4
109.02830	1.5
109.06508	5.7
109.07646	18.7
109.08407	2.9
109.10158	59.5
110.06043	34.4
110.10509	2.0
117.08054	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88956	0.6
53.03939	1.5
55.05511	9.5
65.03936	3.6
65.84206	0.5
67.05503	100.0
68.05832	1.5
69.07068	5.2
69.07409	0.8
69.78547	2.2
79.05499	7.9
80.06284	1.4
81.03432	2.9
81.07054	31.4
82.07379	0.8
86.22734	0.6
86.63438	0.5
91.05455	1.0
94.07832	1.4
107.08596	4.0
109.02849	3.5
109.06522	4.4
109.07658	1.2
109.10152	56.7
110.06025	1.8
110.10447	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03930	2.2
55.05507	9.9
65.03931	3.6
65.36137	0.8
67.05506	100.0
68.05830	1.2
69.07071	5.4
70.08258	1.4
70.08595	0.9
79.05490	8.2
80.06314	0.8
81.03407	2.3
81.07059	35.1
85.46902	0.9
91.05447	1.4
98.22788	0.8
107.08607	4.0
109.02889	3.2
109.06522	5.1
109.10161	56.8
110.06049	1.3
110.10492	2.5
126.69242	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46292	0.7
52.88011	0.7
53.03948	4.3
55.05507	9.3
55.88738	0.7
61.82826	0.7
65.03951	3.6
67.05503	100.0
68.05840	1.8
69.07076	4.3
71.03838	0.9
79.05488	9.6
80.06264	1.1
81.03413	5.8
81.05366	0.7
81.07056	34.4
82.06565	1.0
84.32219	0.8
89.63245	0.6
90.76167	0.6
91.05482	1.4
94.04182	1.0
94.07833	1.1
101.94600	0.7
107.08607	4.7
109.02908	4.6
109.06523	6.2
109.07678	3.8
109.10155	57.0
110.06034	5.1
110.10467	1.7
118.57803	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03946	2.5
55.05511	8.3
58.76174	0.4
61.41389	0.4
65.03935	3.1
65.79234	0.4
67.05503	100.0
68.05836	1.6
69.07063	5.0
69.77789	1.0
69.78140	0.8
71.72863	0.3
74.05615	0.4
77.51478	0.4
77.92677	0.3
79.05489	6.7
80.06282	0.5
81.03413	4.0
81.07054	28.1
82.06590	0.7
82.07409	0.6
91.05479	0.7
92.41646	0.4
94.04187	1.0
94.07828	1.2
107.08600	3.1
109.02875	4.4
109.06525	4.5
109.07665	3.2
109.10152	51.0
110.06046	7.3
110.10476	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02388	0.6
52.01471	0.5
53.03949	5.8
55.01874	0.8
55.05509	10.1
63.76048	0.5
65.03944	3.8
66.04725	1.0
67.05504	100.0
68.05840	1.8
69.07066	7.0
69.53135	1.9
73.16566	0.6
79.05494	25.3
80.06277	1.1
81.03421	8.5
81.07056	47.1
82.07373	0.9
91.05468	4.9
94.04182	4.7
94.07820	1.0
95.04987	1.0
98.22670	1.2
107.04958	1.7
107.08602	4.4
109.02885	8.8
109.06520	43.8
109.07687	1.4
109.10155	68.8
110.06042	2.9
110.06834	1.4
110.10491	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.05498	7.9
65.03931	4.9
67.05502	100.0
69.07052	4.7
70.79657	1.1
77.09322	1.2
79.05490	9.8
81.03412	3.8
81.07056	26.2
82.06568	4.5
91.05499	1.2
107.08607	2.8
107.50140	1.2
109.06527	14.5
109.07639	16.5
109.08408	2.7
109.10149	44.4
110.06036	37.0
110.06612	0.9
110.10516	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	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.05513	7.3
60.59414	0.9
65.03938	4.6
67.05508	100.0
68.05846	2.1
69.07066	4.3
69.87501	3.0
79.05491	6.9
81.03426	2.7
81.07057	26.9
82.06574	3.3
91.05511	1.4
94.07832	1.7
98.23367	1.5
107.08608	2.8
109.02880	1.5
109.06544	5.0
109.07646	13.3
109.08414	2.3
109.10159	46.3
110.06045	26.6
110.10496	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0808
Annotation	trans,trans-2,4-Heptadienal
Peak:m/z	Relative Intensity
53.03934	6.1
55.01871	57.0
55.05510	72.3
57.03428	6.0
60.30899	1.8
61.66413	1.9
61.95769	1.7
62.01455	1.8
65.03906	3.7
67.05502	6.9
68.05019	5.8
69.03420	8.7
69.07066	7.5
71.04966	2.5
77.77485	2.0
79.05507	3.1
81.07040	6.1
83.04977	13.0
83.06120	1.9
83.08604	6.1
91.05472	18.0
93.07033	20.8
94.12106	1.8
95.04961	9.8
95.06094	2.2
105.04495	3.4
111.04441	12.8
111.05576	5.0
111.08073	100.0
112.07585	7.4
112.08384	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	1112.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03937	2.7
79.05490	13.2
81.02962	2.9
81.03416	34.1
81.07050	3.5
83.04978	5.3
85.02898	4.5
89.03896	1.7
91.05481	18.6
93.03390	1.9
93.07061	8.2
94.27769	1.9
95.01316	2.8
95.04965	69.2
97.02902	17.2
97.06511	1.7
103.05476	12.8
105.03394	5.4
105.04487	7.2
105.07020	12.1
107.01357	2.0
107.04952	47.8
107.08611	1.7
109.02882	65.9
109.06493	7.4
110.03663	6.6
111.04446	6.4
115.05468	9.9
117.07025	11.2
119.04951	10.1
119.08588	2.7
121.02868	35.7
121.06491	15.2
123.00809	2.1
123.04422	16.8
123.08043	2.0
125.02348	24.9
125.05990	2.0
127.03915	11.9
128.06224	12.4
129.06987	9.9
131.04932	16.8
131.08568	5.0
133.02861	6.6
133.06483	18.6
133.10141	2.2
135.04410	20.2
135.08035	1.6
137.05989	8.9
137.09589	2.1
139.02853	3.4
139.03899	50.4
141.07005	6.9
143.04900	2.9
143.08566	6.7
145.04918	2.9
145.06476	17.1
147.04413	17.4
147.08011	6.2
149.02318	13.5
149.05986	18.9
151.03906	100.0
152.06216	3.9
153.05476	14.2
153.06963	9.7
154.07741	2.3
155.04912	2.9
155.06026	3.0
155.08592	7.7
156.05783	1.9
157.06508	7.4
157.10104	1.7
159.04402	28.4
159.08058	5.3
160.05110	2.6
161.05975	15.2
161.09581	3.7
161.23476	1.4
163.03889	9.7
163.07547	3.6
165.05481	13.2
165.07002	11.0
166.07813	1.8
167.03383	4.0
167.07034	5.9
167.08569	9.7
169.05089	1.9
169.06506	4.9
169.10077	1.7
171.04424	4.3
171.08066	14.1
173.06007	19.1
173.09590	2.0
175.03915	24.3
175.07509	4.7
177.05502	20.2
177.06953	3.6
178.07730	4.0
179.07097	2.9
179.08559	9.1
181.04932	3.9
181.06471	8.6
182.07242	2.5
183.04440	4.3
183.08080	6.9
185.05997	6.5
187.03972	2.2
187.07571	6.0
189.05515	14.5
189.09180	3.9
191.07036	4.8
191.08540	2.8
193.04950	6.8
194.07300	1.8
195.06538	5.7
195.08073	11.0
197.05951	4.4
197.07808	1.6
197.09651	3.6
199.03900	4.7
199.07562	12.6
201.05498	10.6
201.09077	3.2
202.07683	2.0
202.36613	1.8
203.03409	2.1
203.06943	2.4
203.08589	2.2
205.06520	3.5
205.10246	2.1
207.06383	3.2
207.08057	6.0
207.11681	2.1
209.06003	5.0
210.06705	1.8
211.07516	6.4
213.05394	2.7
213.09045	2.9
215.06908	2.9
217.04941	4.8
217.08606	6.9
219.06390	2.5
221.05937	1.6
223.07541	14.0
225.05472	1.8
225.09135	6.0
227.03386	2.6
227.06975	10.8
229.04909	5.3
229.10210	2.2
232.08945	3.0
233.05965	4.1
233.09779	2.7
235.05632	2.4
235.07625	4.3
237.05292	2.4
237.09090	2.6
239.06970	4.1
241.08562	8.1
243.06314	1.8
245.04416	3.6
245.08086	3.2
247.11166	3.3
251.07048	15.2
251.09569	1.8
251.10619	2.2
253.08571	5.5
255.06555	3.4
255.10199	2.4
257.09631	2.7
259.05911	2.9
260.08081	1.6
261.09277	1.9
265.08557	1.8
267.06479	2.6
268.07584	1.7
269.08029	7.5
271.05960	2.9
271.09595	1.8
273.07492	2.9
275.05692	3.0
275.10522	4.7
279.06522	7.9
279.10132	4.4
281.08090	5.1
285.08923	1.9
287.05530	3.0
293.11627	2.1
297.07553	12.2
297.11252	6.3
299.08920	1.7
303.10135	4.5
307.09589	1.7
309.95575	1.5
313.08475	2.2
315.08585	6.2
321.11105	5.5
325.07013	4.1
329.10156	3.6
331.09576	4.4
339.12457	1.7
343.07968	8.6
347.11307	2.2
349.10645	5.4
351.12265	3.0
357.09622	4.3
361.09149	3.7
367.11868	6.3
375.10699	6.6
377.10049	4.8
385.12881	4.4
395.11365	11.5
399.14279	5.2
409.13077	1.9
413.12372	13.7
417.15479	2.3
427.13641	6.2
431.13773	9.3
443.12851	1.9
445.14890	6.7
451.09982	3.7
469.11301	14.0
483.12643	4.8
487.12131	18.8
493.14960	2.4
501.13937	59.2
503.13162	4.4
505.13232	5.8
519.15015	13.3
521.14349	17.2
535.16260	2.4
537.16168	9.2
539.15466	82.5
553.16968	19.5
557.16656	22.1
571.18134	29.0
575.17670	9.6
589.19006	9.2
607.20154	4.0
613.15283	6.6
627.15967	2.3
631.16418	17.1
645.17505	3.6
649.17242	4.0
663.19110	23.0
665.18408	2.6
681.20001	3.8
683.19312	9.2
699.20459	3.4
701.20496	27.2
715.22009	6.5
719.21265	3.0
733.23224	15.7
737.22809	3.9
751.24603	2.4
775.20813	2.0
789.21600	5.0
793.21173	3.8
827.23694	5.3
859.25940	3.7
863.24713	2.4
887.95398	1.7
895.28119	2.4
1112.41577	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	1112.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03937	2.7
79.05490	13.2
81.02962	2.9
81.03416	34.1
81.07050	3.5
83.04978	5.3
85.02898	4.5
89.03896	1.7
91.05481	18.6
93.03390	1.9
93.07061	8.2
94.27769	1.9
95.01316	2.8
95.04965	69.2
97.02902	17.2
97.06511	1.7
103.05476	12.8
105.03394	5.4
105.04487	7.2
105.07020	12.1
107.01357	2.0
107.04952	47.8
107.08611	1.7
109.02882	65.9
109.06493	7.4
110.03663	6.6
111.04446	6.4
115.05468	9.9
117.07025	11.2
119.04951	10.1
119.08588	2.7
121.02868	35.7
121.06491	15.2
123.00809	2.1
123.04422	16.8
123.08043	2.0
125.02348	24.9
125.05990	2.0
127.03915	11.9
128.06224	12.4
129.06987	9.9
131.04932	16.8
131.08568	5.0
133.02861	6.6
133.06483	18.6
133.10141	2.2
135.04410	20.2
135.08035	1.6
137.05989	8.9
137.09589	2.1
139.02853	3.4
139.03899	50.4
141.07005	6.9
143.04900	2.9
143.08566	6.7
145.04918	2.9
145.06476	17.1
147.04413	17.4
147.08011	6.2
149.02318	13.5
149.05986	18.9
151.03906	100.0
152.06216	3.9
153.05476	14.2
153.06963	9.7
154.07741	2.3
155.04912	2.9
155.06026	3.0
155.08592	7.7
156.05783	1.9
157.06508	7.4
157.10104	1.7
159.04402	28.4
159.08058	5.3
160.05110	2.6
161.05975	15.2
161.09581	3.7
161.23476	1.4
163.03889	9.7
163.07547	3.6
165.05481	13.2
165.07002	11.0
166.07813	1.8
167.03383	4.0
167.07034	5.9
167.08569	9.7
169.05089	1.9
169.06506	4.9
169.10077	1.7
171.04424	4.3
171.08066	14.1
173.06007	19.1
173.09590	2.0
175.03915	24.3
175.07509	4.7
177.05502	20.2
177.06953	3.6
178.07730	4.0
179.07097	2.9
179.08559	9.1
181.04932	3.9
181.06471	8.6
182.07242	2.5
183.04440	4.3
183.08080	6.9
185.05997	6.5
187.03972	2.2
187.07571	6.0
189.05515	14.5
189.09180	3.9
191.07036	4.8
191.08540	2.8
193.04950	6.8
194.07300	1.8
195.06538	5.7
195.08073	11.0
197.05951	4.4
197.07808	1.6
197.09651	3.6
199.03900	4.7
199.07562	12.6
201.05498	10.6
201.09077	3.2
202.07683	2.0
202.36613	1.8
203.03409	2.1
203.06943	2.4
203.08589	2.2
205.06520	3.5
205.10246	2.1
207.06383	3.2
207.08057	6.0
207.11681	2.1
209.06003	5.0
210.06705	1.8
211.07516	6.4
213.05394	2.7
213.09045	2.9
215.06908	2.9
217.04941	4.8
217.08606	6.9
219.06390	2.5
221.05937	1.6
223.07541	14.0
225.05472	1.8
225.09135	6.0
227.03386	2.6
227.06975	10.8
229.04909	5.3
229.10210	2.2
232.08945	3.0
233.05965	4.1
233.09779	2.7
235.05632	2.4
235.07625	4.3
237.05292	2.4
237.09090	2.6
239.06970	4.1
241.08562	8.1
243.06314	1.8
245.04416	3.6
245.08086	3.2
247.11166	3.3
251.07048	15.2
251.09569	1.8
251.10619	2.2
253.08571	5.5
255.06555	3.4
255.10199	2.4
257.09631	2.7
259.05911	2.9
260.08081	1.6
261.09277	1.9
265.08557	1.8
267.06479	2.6
268.07584	1.7
269.08029	7.5
271.05960	2.9
271.09595	1.8
273.07492	2.9
275.05692	3.0
275.10522	4.7
279.06522	7.9
279.10132	4.4
281.08090	5.1
285.08923	1.9
287.05530	3.0
293.11627	2.1
297.07553	12.2
297.11252	6.3
299.08920	1.7
303.10135	4.5
307.09589	1.7
309.95575	1.5
313.08475	2.2
315.08585	6.2
321.11105	5.5
325.07013	4.1
329.10156	3.6
331.09576	4.4
339.12457	1.7
343.07968	8.6
347.11307	2.2
349.10645	5.4
351.12265	3.0
357.09622	4.3
361.09149	3.7
367.11868	6.3
375.10699	6.6
377.10049	4.8
385.12881	4.4
395.11365	11.5
399.14279	5.2
409.13077	1.9
413.12372	13.7
417.15479	2.3
427.13641	6.2
431.13773	9.3
443.12851	1.9
445.14890	6.7
451.09982	3.7
469.11301	14.0
483.12643	4.8
487.12131	18.8
493.14960	2.4
501.13937	59.2
503.13162	4.4
505.13232	5.8
519.15015	13.3
521.14349	17.2
535.16260	2.4
537.16168	9.2
539.15466	82.5
553.16968	19.5
557.16656	22.1
571.18134	29.0
575.17670	9.6
589.19006	9.2
607.20154	4.0
613.15283	6.6
627.15967	2.3
631.16418	17.1
645.17505	3.6
649.17242	4.0
663.19110	23.0
665.18408	2.6
681.20001	3.8
683.19312	9.2
699.20459	3.4
701.20496	27.2
715.22009	6.5
719.21265	3.0
733.23224	15.7
737.22809	3.9
751.24603	2.4
775.20813	2.0
789.21600	5.0
793.21173	3.8
827.23694	5.3
859.25940	3.7
863.24713	2.4
887.95398	1.7
895.28119	2.4
1112.41577	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	1125.504
Annotation	Unknow
Peak:m/z	Relative Intensity
98.22630	0.3
99.84931	0.2
110.36269	0.2
119.39919	0.1
128.44328	0.1
130.15434	0.1
157.35910	0.1
305.00299	0.1
363.16034	0.2
396.12381	0.2
397.13022	0.4
399.14386	0.2
409.12875	0.3
410.13788	1.0
411.14417	2.2
412.15259	1.5
413.15747	0.9
423.14926	0.7
424.10895	0.6
424.16205	1.2
425.16257	4.9
426.16949	3.3
427.17755	1.2
428.18265	0.5
436.15546	0.2
437.12213	0.6
437.16821	0.4
438.13126	1.7
438.17636	0.6
439.13379	6.5
440.13199	0.3
440.18982	2.6
441.19260	14.8
442.19775	1.0
443.17169	0.2
451.13177	0.2
451.18256	0.4
452.14182	2.3
453.15182	8.3
454.15689	2.0
456.18008	0.3
457.15176	0.2
463.13776	0.5
464.14566	0.2
465.15393	0.4
466.16833	0.7
467.17154	13.3
468.17752	6.9
469.18814	5.5
470.19708	0.7
471.16818	0.4
477.15408	0.3
478.15997	0.5
479.17548	0.2
480.14401	0.9
481.14685	8.2
482.14951	2.0
483.16705	0.4
484.16937	0.3
485.17981	0.5
486.18756	0.2
493.15161	0.3
494.16235	0.5
495.16498	12.9
496.16980	17.1
497.17987	1.9
498.19437	0.3
499.20578	0.7
500.20566	0.3
508.18488	0.5
509.18295	1.1
510.19263	0.3
512.20648	0.3
513.18127	0.6
514.23053	1.3
522.18146	0.4
523.20129	0.9
524.17065	0.5
525.17584	0.4
527.22717	1.4
528.18927	0.8
536.18945	0.8
537.19299	1.0
538.18488	0.4
539.19550	0.4
540.19708	0.4
542.21716	0.7
555.22424	14.8
556.22369	0.4
567.19171	0.3
568.19171	0.4
581.21100	0.4
582.20947	0.4
583.21863	38.1
584.22089	3.9
586.20520	0.5
587.25146	1.0
599.21075	0.5
600.21869	0.5
610.20514	0.6
611.21252	2.0
614.23981	0.6
615.24445	2.7
628.20758	0.3
641.22223	0.5
641.39191	0.2
642.23187	18.7
643.23779	100.0
644.23834	2.1
665.21857	0.8
666.22589	0.4
667.22314	0.2
836.71332	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	1140.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05492	9.0
81.03410	2.5
81.07031	1.8
83.04928	0.5
85.02914	2.0
91.05476	1.2
93.07018	1.4
95.01317	0.7
95.04961	15.2
97.02886	1.5
97.65979	0.3
103.05460	2.6
105.03376	1.2
105.04513	1.5
105.07029	0.5
107.04948	64.5
108.05293	0.6
109.02177	0.7
109.02869	8.0
109.06494	1.5
121.06509	4.1
123.04421	5.0
125.02348	7.5
125.05990	1.6
127.03878	0.8
129.09744	0.4
131.04924	2.1
133.02838	4.3
135.04385	1.2
147.04408	0.5
149.05966	8.1
151.03896	56.9
152.04227	0.5
153.05460	6.8
159.04385	1.2
166.47047	0.3
167.03447	0.4
167.07007	0.5
169.04945	0.5
177.05469	9.8
195.06512	21.9
213.07561	100.0
214.07890	0.8
227.06718	0.4
256.60059	0.3
339.10812	0.6
357.11807	2.0
366.74609	0.4
375.12836	13.7
392.15323	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0393
Annotation	Siphonodin
Peak:m/z	Relative Intensity
50.88151	2.2
51.88478	1.7
53.03946	3.3
53.17778	1.8
55.01865	3.5
55.05500	6.2
57.03438	11.7
69.03431	90.3
69.07065	4.4
69.52081	6.8
70.06576	10.2
71.01353	8.8
73.02913	4.5
85.02906	68.4
89.03941	1.8
97.02892	100.0
98.03206	2.9
98.06033	1.7
115.03920	5.0
115.05452	32.3
115.09494	3.4
127.21785	1.7
134.81592	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0392
Annotation	Siphonodin
Peak:m/z	Relative Intensity
53.03957	3.7
53.09375	1.6
55.01859	3.5
57.03425	11.3
59.05018	3.0
63.99025	1.6
69.03426	85.6
69.07066	4.4
69.40285	1.8
70.06596	12.2
70.07397	2.0
71.01344	7.9
73.02905	4.1
76.79447	1.8
77.80172	1.7
85.02905	65.3
93.39368	1.8
97.02892	100.0
113.22174	1.7
115.03933	8.2
115.05456	45.8
115.08746	2.3
115.09499	4.7
116.06392	1.8
116.07109	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	115.0756
Annotation	cis-3-Hexenoic acid
Peak:m/z	Relative Intensity
51.90915	1.3
53.03936	1.6
55.01872	3.0
57.03434	1.8
59.59040	1.4
62.65450	1.2
67.05510	9.8
69.07069	100.0
70.06590	13.6
70.07407	2.5
70.76658	1.7
71.04996	51.0
73.02901	7.7
73.06550	2.1
75.16940	1.2
77.56651	1.3
79.05492	22.2
87.12958	1.2
95.04953	3.8
97.06522	8.3
115.05483	9.1
115.07569	2.4
115.09525	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	1157.2933
Annotation	Stachysetin
Peak:m/z	Relative Intensity
80.19196	0.0
81.02960	0.1
81.03415	1.0
83.01324	0.1
85.02404	0.1
85.02901	1.4
87.04449	0.1
89.03867	0.1
91.05471	1.3
95.04953	0.1
97.02882	1.5
98.22607	0.1
99.00819	0.3
99.04443	0.3
101.02381	0.1
103.03923	0.1
103.05443	0.1
105.04460	0.0
107.01281	0.0
107.04924	0.1
109.02866	1.0
109.94019	0.0
111.00787	0.1
111.04414	0.1
113.02328	0.1
115.03902	0.0
115.05424	0.1
116.78462	0.0
117.01834	0.1
119.04934	2.8
121.02858	1.4
121.03778	0.1
123.04416	0.1
125.02335	0.1
127.03902	1.7
129.01837	0.2
131.04910	0.1
133.02831	0.0
137.05989	0.1
139.03880	0.1
141.01799	0.1
141.06956	0.2
145.02837	2.3
145.04878	0.5
145.06183	0.0
145.06541	0.1
147.04391	2.3
149.02345	0.1
151.03894	0.2
153.01813	6.3
157.06459	0.1
161.05954	0.1
163.03894	0.9
165.01775	0.1
165.05472	0.1
167.03459	0.1
169.06491	0.2
171.02884	1.5
173.05965	0.1
175.07547	0.1
177.01799	0.1
177.06891	0.0
181.06363	0.1
187.03920	0.2
195.02986	0.0
197.04385	0.1
197.06026	0.2
201.03749	0.1
201.05528	0.1
202.06230	0.1
203.07040	0.6
205.01366	0.3
205.05008	0.1
207.02885	0.1
212.08192	0.2
213.09067	1.0
215.07056	0.1
219.08012	0.0
225.05530	0.9
229.04955	0.6
237.09138	0.1
239.07187	0.0
242.05750	0.1
243.04543	0.4
243.06786	0.2
247.06036	0.1
253.04927	0.1
254.05743	0.1
255.06406	0.0
256.07037	0.0
261.06274	0.1
265.08536	0.2
267.06531	0.3
270.05054	0.2
271.05975	100.0
272.06305	0.8
279.06586	0.1
281.08069	0.1
283.02725	0.0
283.05957	0.9
284.06863	0.2
287.05466	0.1
291.08533	0.4
293.08127	0.2
295.06027	1.2
295.09222	0.1
297.03912	0.3
297.07535	0.2
297.10614	0.0
299.05673	0.1
305.07990	0.1
307.06140	0.2
308.06973	0.1
309.03888	0.2
309.07565	0.2
309.10278	0.1
311.05380	0.1
311.09085	0.1
313.07047	2.9
321.07614	0.1
323.05521	2.2
323.09055	0.2
324.05356	0.0
325.06924	0.2
327.08505	0.0
333.07565	0.3
335.05411	0.0
337.06946	0.6
337.10757	0.1
341.06467	0.1
349.06906	0.1
351.04941	3.6
352.05392	0.0
355.08194	0.1
361.07047	0.5
363.08383	0.1
367.08218	0.1
369.05405	0.2
379.08087	1.7
387.09164	0.4
391.08289	0.1
397.09152	0.5
403.07840	0.1
405.10239	0.1
415.10309	0.6
433.11172	0.2
437.12329	0.1
455.13525	0.1
469.08929	0.1
477.08249	0.4
487.10193	0.1
495.09189	1.0
513.10248	11.1
514.10278	0.1
531.11237	0.2
561.13391	0.1
579.15027	0.5
603.11090	0.1
621.11957	0.2
639.13165	0.3
657.14435	0.6
658.99829	0.1
675.15387	0.7
689.15979	0.1
707.17584	0.2
725.18616	1.3
743.19135	0.2
785.20483	0.1
797.17786	0.1
815.19598	0.2
833.20746	0.3
845.21252	0.0
851.21753	0.5
869.22705	0.7
887.23663	0.7
1157.42224	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	1164.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03411	6.8
81.07052	1.0
82.93165	0.2
83.01335	0.2
83.04976	1.9
85.02901	2.0
85.06554	0.1
87.04510	0.3
87.86295	0.2
91.05474	5.0
93.03400	0.2
93.07037	4.5
94.04190	0.7
94.34755	0.2
95.01322	0.4
95.04964	16.8
95.08611	0.5
97.02888	2.4
97.06509	0.4
99.04454	0.5
103.03994	0.9
103.05463	7.2
105.03410	1.3
105.04498	3.1
105.07015	1.2
105.07630	0.2
106.04182	0.2
107.04949	60.5
108.05272	0.4
109.02871	61.8
109.06506	3.7
110.03198	0.4
111.04430	3.1
111.08084	0.4
115.05446	0.2
117.06952	0.2
117.56732	0.2
119.04951	0.6
119.08640	0.2
121.02890	0.5
121.06501	11.6
122.03643	0.4
122.67166	0.2
123.03525	0.2
123.04422	4.1
125.02350	4.8
125.05998	0.7
127.03897	2.5
129.06989	0.2
131.04936	5.3
131.05893	0.3
133.02837	2.2
133.06467	0.4
135.04408	4.6
137.05965	2.8
139.03893	35.1
139.07491	1.1
141.05455	1.1
145.04932	0.5
145.06528	0.3
147.04372	0.8
149.05971	21.5
150.06317	0.2
151.03896	16.2
153.05464	2.5
157.04921	0.3
159.04404	4.7
159.05667	0.3
161.05978	0.4
163.03922	0.5
163.07533	0.6
165.05467	70.1
166.05798	0.5
167.07030	17.7
169.05040	0.2
173.04506	0.3
173.05870	0.2
175.03909	0.5
177.05458	54.9
178.05798	0.4
179.07021	0.4
181.04948	0.6
181.08572	1.1
183.06487	0.7
183.07942	0.2
184.21022	0.1
189.05515	0.3
191.05318	0.2
191.07018	4.0
193.04897	0.3
195.06520	11.4
207.06482	0.5
209.08076	100.0
210.08415	0.9
211.07610	0.2
213.07416	0.2
227.09122	27.3
251.05565	0.3
251.09074	0.4
269.06573	0.3
269.10251	0.7
285.07516	0.2
287.05341	0.2
295.08020	0.8
301.09216	0.8
303.08658	0.7
321.09628	2.1
335.11295	0.4
339.10727	6.7
353.12289	1.9
357.11728	0.9
371.13364	5.3
385.12604	0.2
389.14420	2.0
439.09055	0.2
495.14740	0.5
501.16208	0.3
515.15625	0.3
521.16937	0.9
533.16614	1.2
547.18066	1.0
565.18939	1.6
579.20691	2.6
597.20648	0.3
1164.42078	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1173.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03408	1.4
83.01313	0.1
85.02898	2.0
87.04474	0.1
89.03915	0.7
91.05473	2.6
91.06046	0.1
95.04940	0.2
97.02882	2.1
99.00806	0.3
99.04441	0.5
103.03940	0.1
107.04959	0.4
109.02867	1.6
111.00794	0.2
111.04437	0.2
113.02355	0.1
115.05434	0.1
117.03384	0.3
119.04935	3.8
121.02854	1.3
123.04417	0.1
125.02371	0.2
127.03901	2.6
127.04865	0.1
128.06218	0.1
129.01826	0.3
131.04895	0.2
135.04408	1.6
137.02362	0.6
137.05975	0.2
141.06950	0.1
145.02846	2.2
145.04878	0.6
147.04395	9.6
148.04732	0.1
149.02370	0.1
151.03911	0.3
153.01811	9.7
157.06464	0.1
159.04175	0.1
161.02318	1.4
163.03889	3.2
165.01794	0.1
165.05438	0.3
167.03430	0.1
169.05095	0.1
169.06346	0.1
171.02876	2.1
173.05988	0.2
175.07584	0.1
177.01805	0.2
177.05469	0.1
177.07071	0.1
179.03392	0.4
181.04907	0.1
183.02979	0.1
185.05977	0.2
187.03915	0.2
189.05420	0.1
195.08105	0.1
197.04396	0.2
197.05988	0.2
199.03879	0.1
201.03825	0.1
201.05563	0.2
202.06337	0.1
203.03354	0.1
203.07059	0.5
205.01353	0.3
207.02812	0.2
212.08284	0.3
213.05490	0.1
213.09087	1.2
215.07158	0.1
219.06528	0.3
223.02158	0.1
225.03691	0.1
225.05527	0.7
225.08987	0.1
229.04962	0.5
237.09123	0.2
241.04906	0.8
243.04636	0.6
245.04482	0.3
247.07838	0.1
253.04834	0.2
254.05788	0.1
265.08481	0.2
267.06573	0.2
269.04449	0.3
270.05188	0.3
271.05975	100.0
272.06262	1.1
273.07016	0.1
279.06668	0.1
281.08112	0.1
283.06006	1.0
284.06906	0.1
286.04486	0.1
287.05469	71.7
288.05753	0.6
291.08542	1.5
293.08078	0.2
295.06012	0.8
295.09277	0.1
297.03925	0.3
297.07562	0.2
299.05603	0.8
300.06296	0.2
305.07855	0.1
307.08493	0.5
309.10095	0.7
311.05441	0.9
311.08948	0.2
313.03424	0.3
313.07013	2.3
321.07562	0.1
323.05502	1.7
323.09177	0.1
325.06970	0.3
325.09802	0.1
327.05051	0.1
329.06531	2.2
329.10544	0.1
333.07687	0.2
337.06921	0.5
339.04959	1.4
339.08658	0.1
349.06967	0.3
351.04938	2.8
351.09106	0.2
353.06491	0.4
353.10345	0.1
355.08051	0.1
361.07025	0.5
367.04446	2.3
369.06149	0.1
369.08401	0.1
371.07712	0.2
377.06555	0.4
379.03409	0.1
379.08087	1.5
387.09229	0.4
395.07654	1.3
397.09048	0.3
405.09717	0.2
413.08615	0.3
415.10275	0.4
423.18576	0.1
431.09674	0.3
433.11145	0.2
449.10645	0.2
455.13342	0.1
477.08194	0.2
493.07495	0.3
495.09216	0.5
511.08881	0.7
513.10242	8.8
529.09741	7.2
529.16199	0.1
531.10931	0.1
547.10339	0.1
579.14948	2.1
595.14392	1.6
619.11322	0.1
621.12250	0.1
639.13135	0.2
655.12598	0.2
657.14685	0.5
673.14526	0.4
675.15063	0.5
689.16510	0.1
691.14734	0.5
705.16022	0.1
707.17358	0.2
723.16443	0.1
725.06677	0.1
725.18732	1.1
741.18231	1.0
743.19098	0.3
759.18732	0.2
788.91919	0.1
831.18927	0.1
833.20642	0.2
849.20221	0.3
851.21838	0.5
861.21588	0.1
867.20868	0.6
869.22852	0.5
885.22113	0.7
887.23877	0.6
903.23267	0.7
1152.14453	0.1
1172.78174	0.1
1173.28137	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02376	3.1
53.03952	18.7
55.05512	2.9
56.05042	1.5
58.06598	4.6
58.08907	1.7
59.07377	5.7
64.67722	1.6
66.67781	1.3
67.22794	1.4
69.28595	4.7
69.29003	4.5
71.04675	1.4
72.08157	19.2
75.60510	1.4
77.03928	15.1
81.03422	2.3
81.12022	1.4
87.83904	1.7
88.07595	1.3
91.05476	9.4
94.04002	1.6
95.04971	82.3
105.04514	44.0
116.05770	1.9
117.07024	5.4
118.06544	100.0
118.08652	27.7
119.06053	4.2
119.06854	3.1
119.08589	6.0
133.27759	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02367	4.4
53.03748	1.4
53.03951	21.1
62.76121	1.3
70.58738	2.0
72.08173	1.4
77.03925	32.4
91.05483	11.4
95.04966	92.6
105.04516	47.2
106.04846	1.8
118.06540	100.0
118.08687	3.3
119.04942	3.4
119.06858	2.4
119.08578	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.47187	1.2
51.02375	4.4
52.98344	1.2
53.03948	20.3
65.64870	1.5
69.36063	4.7
72.08160	2.3
77.03927	26.6
81.03394	1.8
91.05492	6.8
95.04968	92.9
98.22652	2.1
99.15845	1.2
104.63754	1.2
105.04517	42.4
117.07032	2.0
118.06542	100.0
119.06870	2.6
119.08595	4.8
119.12244	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
51.02383	5.2
52.87933	2.0
53.03951	17.4
55.01855	2.0
55.05493	3.8
58.06602	3.2
58.13773	1.8
58.38339	1.7
59.07382	4.3
72.08161	19.8
73.02920	3.0
74.82753	2.0
77.03922	14.7
88.19915	1.5
91.05488	34.5
95.04975	97.6
104.06255	2.7
105.04523	45.7
116.05826	4.8
117.07024	5.7
118.06554	100.0
118.07309	6.8
118.08670	12.7
119.06065	3.2
119.06850	3.8
119.08582	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	118.0654
Annotation	3H-Indole
Peak:m/z	Relative Intensity
51.02377	4.3
53.03950	19.7
65.03947	9.6
69.39896	7.0
77.03226	1.6
77.03931	34.8
81.03401	2.2
86.70795	1.5
91.05482	100.0
91.24341	1.8
95.04970	89.1
96.05291	1.7
101.06367	1.5
103.05440	1.7
105.04518	44.2
107.04983	1.7
109.06525	9.4
118.06543	95.3
119.04942	71.8
119.06042	7.7
119.06782	2.3
119.08562	4.4
139.45251	1.4
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
50.01604	1.7
51.02385	3.2
53.03949	19.0
55.05495	2.3
58.06593	3.0
59.07385	1.3
59.08946	1.2
59.34868	1.2
70.79236	1.5
71.88867	1.4
72.08156	8.9
73.02918	2.3
77.03930	19.0
78.03127	1.2
82.71246	1.2
84.61217	1.3
91.05482	26.3
92.05801	1.4
95.04968	89.6
96.05321	1.6
103.05449	1.5
104.06261	3.0
105.04521	46.7
116.05817	2.6
117.07026	4.8
118.06548	100.0
118.07310	6.6
118.08627	9.6
119.06079	1.6
119.06860	3.5
119.08559	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.86647	1.3
51.02369	3.7
53.03943	22.0
55.01869	1.4
55.05521	3.5
58.06593	5.3
59.07381	1.9
64.84367	1.5
71.00736	1.9
72.08151	17.7
73.02914	3.2
77.03926	14.3
80.65591	1.6
81.03416	2.4
91.05472	21.4
95.04962	90.9
96.05299	1.8
103.05514	1.8
105.04510	51.3
107.28193	1.3
109.91751	1.4
116.05782	3.4
117.06999	4.3
118.06541	100.0
118.07301	5.4
118.08637	15.2
119.06080	3.3
119.06886	3.4
119.08573	14.4
122.34924	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0866
Annotation	Betaine
Peak:m/z	Relative Intensity
55.05511	1.8
58.06599	22.2
59.04978	0.2
59.07381	22.8
60.04552	0.2
60.07710	0.4
69.67897	0.9
72.08155	12.8
76.34892	0.2
98.22698	0.3
118.08653	100.0
119.08992	2.3
124.97784	0.2
136.62221	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
70.27706	4.8
78.78986	2.3
87.56314	2.4
91.05466	12.0
101.00893	32.1
119.01923	100.0
119.02776	5.5
119.06077	2.9
119.08571	2.5
120.02015	5.5
120.05607	3.9
137.02954	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34285	1.7
56.96591	1.9
63.16542	1.6
66.35666	1.9
69.79380	5.3
70.63568	1.8
70.73309	2.0
73.74248	1.7
82.99827	3.8
90.46469	1.6
91.05468	4.8
91.53292	1.8
98.23377	3.5
98.75540	1.8
100.02522	2.3
101.00886	33.1
102.00954	4.8
107.05271	3.5
109.32309	2.2
119.01924	100.0
120.02033	6.9
120.05606	2.2
137.02968	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
71.02014	0.8
71.27009	1.0
73.08469	1.1
73.64169	0.8
82.99849	1.8
84.85460	0.8
87.00826	2.1
91.05470	7.4
97.71387	0.8
97.83853	0.8
101.00877	24.6
102.00960	2.0
107.28955	0.8
119.01917	100.0
119.06084	1.2
119.08996	2.6
120.02011	7.7
120.05596	2.2
137.02957	33.1
138.03108	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	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03948	0.8
65.03935	1.5
67.05512	0.5
69.85030	0.5
69.85374	1.3
77.03921	1.0
79.05494	7.4
88.12991	0.4
91.05477	100.0
92.05818	3.3
93.07037	3.2
95.04955	2.7
95.93302	0.5
96.05307	0.6
98.22747	0.8
103.05459	8.4
104.06236	5.8
105.04491	1.5
109.06522	0.9
115.05457	3.8
117.07016	23.3
118.07356	0.8
119.06044	3.1
119.08573	54.8
119.57387	0.5
120.04439	1.0
120.05587	1.8
120.08085	2.2
120.08819	2.4
128.66714	0.5
131.06049	0.7
133.54585	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.9
65.03931	2.8
69.59206	1.9
69.59600	1.2
77.03931	1.0
79.05505	4.9
85.32603	0.9
91.05477	87.0
92.05814	2.9
93.07029	6.9
93.23831	0.9
95.04962	3.9
98.22743	1.4
102.04656	1.0
103.05456	11.2
104.06269	10.0
105.04484	1.9
109.06519	1.2
115.05433	5.0
117.07015	39.9
118.07314	0.9
119.06074	2.0
119.08574	100.0
120.08920	3.1
121.06528	0.9
131.06017	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.72523	0.4
53.03977	0.9
65.03943	2.2
77.03938	1.0
78.04685	1.0
79.05494	6.1
91.05477	60.8
92.05808	2.4
93.07043	4.6
95.04963	3.3
96.05297	0.8
99.13235	0.4
101.19202	0.4
102.04707	0.4
103.05459	7.2
103.69756	0.4
104.06255	8.1
104.06936	0.5
105.04523	1.4
105.07030	0.6
106.04872	0.6
109.06512	0.7
112.03969	0.4
112.96545	0.4
115.05457	3.8
117.07018	17.3
118.07381	0.7
119.04965	1.7
119.08574	100.0
120.08910	5.1
121.06513	0.7
131.06073	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
58.50282	0.7
63.67980	0.6
65.03934	1.3
79.05495	4.9
91.05478	80.2
92.05827	2.2
93.07050	5.4
95.04945	2.9
96.05283	0.9
103.05478	9.9
104.06259	7.4
105.04507	1.4
109.06493	1.0
109.13757	0.8
115.05454	4.9
117.07018	38.7
118.07363	1.1
119.06068	2.4
119.08577	100.0
120.08130	1.2
120.08894	5.5
121.06549	1.3
131.06065	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
63.33301	0.6
65.03934	3.2
70.70945	0.6
70.80051	0.6
71.44114	0.8
71.76325	0.6
77.03948	0.9
79.05483	5.0
80.39909	0.5
91.05476	84.8
92.05814	2.9
93.07056	5.6
95.04966	4.0
96.05284	1.2
103.05463	11.8
104.05684	0.7
104.06260	9.1
105.04501	1.5
109.06522	1.2
115.05462	5.5
117.07014	38.7
118.07348	1.3
119.04970	3.4
119.06059	2.4
119.08572	100.0
120.05615	1.3
120.08093	1.4
120.08907	4.5
121.06507	1.0
131.06041	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03938	1.7
65.03944	2.2
69.13002	4.4
76.88641	0.6
77.03922	1.6
79.05505	6.5
89.00930	0.7
90.77090	0.7
91.05479	86.0
92.05817	3.0
93.07056	6.1
95.04980	3.7
103.05471	10.2
104.06260	10.3
105.04522	1.3
109.06505	1.9
115.05453	5.2
117.07017	40.5
118.07410	1.3
119.04876	1.1
119.06092	1.9
119.08576	100.0
120.08090	1.4
120.08927	4.3
121.06499	0.7
131.06026	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
65.03941	1.6
69.67850	2.0
74.06075	1.1
79.05495	6.3
87.96499	0.7
88.67406	0.7
91.05483	100.0
92.05807	2.8
93.07047	2.7
95.04971	2.7
99.83594	0.7
103.05453	5.4
104.06260	6.3
105.04527	1.1
115.05450	3.8
117.06182	1.3
117.07022	25.8
119.06118	5.0
119.08582	67.7
120.04444	1.0
120.05583	3.4
120.08101	3.9
120.08919	3.8
126.08670	0.7
131.12476	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30597	0.5
53.03952	0.9
60.25919	0.7
60.45437	0.5
65.03929	2.0
76.18352	0.5
77.03925	1.0
77.05158	0.5
78.04702	0.9
79.05489	5.9
90.96621	0.5
91.05476	84.1
92.05820	3.0
93.07035	5.3
95.04959	3.0
101.30040	0.5
103.05466	10.8
104.06245	9.5
105.04518	1.2
109.06494	1.1
115.05445	4.9
117.07016	37.1
118.07355	1.6
119.04926	1.4
119.06211	2.7
119.08573	100.0
120.05628	0.9
120.08130	1.0
120.08923	3.9
121.06475	1.0
131.06024	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.4
69.43491	1.3
69.43893	1.2
77.03937	2.2
80.05029	0.6
91.05480	7.3
93.07050	12.7
94.06575	0.5
95.04964	2.6
103.05467	54.3
104.05798	2.9
105.04529	1.1
118.06537	1.5
119.07323	0.7
120.08105	100.0
121.06501	0.9
121.08459	3.9
121.63489	0.4
126.25833	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02379	3.0
53.03949	9.8
55.01876	7.2
62.68889	1.3
65.03938	4.2
69.43208	2.2
69.43594	2.9
77.03932	14.4
79.05494	14.8
81.03419	1.7
91.05482	67.5
92.05789	2.2
93.03411	1.8
93.07045	74.3
94.07368	1.7
95.04969	37.2
98.23518	1.3
103.05470	100.0
104.05790	3.8
105.04522	22.0
105.07023	9.9
107.07350	2.1
113.01849	1.2
121.02893	4.5
121.06504	81.5
121.10130	10.1
122.06840	3.2
122.09676	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	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02365	1.6
53.03949	7.8
53.48286	0.7
55.01868	2.7
55.05497	1.3
64.22667	0.9
65.03944	8.2
66.09762	0.7
69.36217	2.6
69.36623	1.4
77.03927	9.9
78.04704	1.6
79.05488	13.3
80.06221	0.8
81.03393	1.2
81.07037	1.0
91.05478	71.2
92.05813	2.4
93.03387	1.1
93.07041	55.1
94.07372	2.5
95.04964	38.3
96.05315	1.1
98.22688	2.0
103.05466	47.1
104.05827	2.1
105.03393	3.9
105.04514	16.2
105.07029	22.5
105.07731	1.2
106.04209	1.1
106.07804	1.9
107.07321	2.4
119.08595	2.7
121.02871	7.6
121.06504	100.0
121.10139	16.9
122.06815	5.3
122.09682	4.9
123.08075	2.9
133.07584	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02372	1.0
53.03937	4.0
55.01886	0.6
55.05511	7.7
61.15913	0.6
65.03939	1.6
67.05501	2.3
68.18983	0.5
70.77901	0.6
77.03923	5.2
78.04702	0.7
79.05489	38.8
79.87389	0.5
80.05834	0.7
80.06286	1.1
81.03406	1.0
81.07044	3.0
89.36523	0.5
91.05478	32.3
92.05788	0.8
93.07042	100.0
94.07379	2.5
95.04348	0.6
95.04969	15.9
103.05459	7.9
105.04515	8.8
105.07027	31.9
106.04890	0.6
106.07884	2.6
107.07342	2.3
116.74242	0.6
119.08568	4.6
121.02859	1.2
121.04023	1.0
121.06505	9.2
121.10138	30.2
121.46824	0.5
122.06010	1.1
122.06823	0.6
122.09667	3.8
122.10445	1.2
123.08089	2.6
133.07605	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02382	1.6
53.03953	6.1
54.04935	1.1
55.01869	1.7
55.05506	6.3
65.03931	3.2
67.05492	1.7
69.08664	6.3
69.68325	1.0
77.03923	7.8
78.04715	1.5
79.05042	2.1
79.05496	39.3
80.05817	1.2
81.07046	3.0
91.05479	45.6
93.07045	100.0
94.07381	3.2
95.04970	19.0
98.22691	2.2
102.57247	1.1
103.05470	22.4
105.04515	12.6
105.07030	54.4
106.07863	6.1
107.07331	4.3
119.08567	8.2
121.02871	3.6
121.04002	2.4
121.06512	22.5
121.10145	57.3
122.06019	3.2
122.09670	8.1
122.10463	1.5
123.08041	5.8
133.07631	5.0
136.69948	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01888	1.0
55.05509	3.6
59.68016	1.1
60.19139	1.0
65.03934	2.4
65.88563	1.1
77.03927	4.3
79.05492	36.2
79.05950	2.1
81.07082	1.9
82.24793	0.9
85.09105	1.1
86.68348	0.9
91.05476	25.5
93.04534	1.2
93.07043	53.4
94.04169	1.1
94.07380	1.3
95.04967	14.6
103.05467	20.5
105.04533	7.6
105.07026	100.0
106.07874	6.7
107.07320	3.0
119.08574	14.5
121.02843	3.8
121.03964	1.9
121.06515	12.7
121.10141	63.1
122.06005	2.1
122.09667	4.6
122.10472	1.9
123.08067	12.4
133.07625	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
53.03949	4.6
55.05513	25.4
55.47793	0.6
56.05840	0.8
57.30089	0.6
60.16608	0.7
65.03947	1.3
67.05505	7.7
69.60217	2.6
77.03934	2.8
79.05494	79.7
80.05839	1.4
80.06279	1.0
81.07059	2.2
91.05479	28.1
93.04534	4.2
93.07046	100.0
94.06583	1.5
94.07380	2.3
95.04970	18.3
103.05486	5.2
105.04520	8.9
105.07033	15.1
106.07841	1.6
107.07331	1.2
119.08573	2.2
120.52458	0.6
121.02917	0.9
121.03983	5.3
121.06516	6.1
121.07677	1.2
121.10143	25.7
122.06035	4.1
122.09676	5.5
122.10474	1.4
123.08057	1.4
127.92171	0.7
133.07677	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02366	1.1
53.03942	4.4
55.05508	3.2
62.26363	0.8
65.03927	1.7
67.05511	1.6
71.06094	1.4
77.03934	6.9
79.05493	39.3
81.07043	2.8
91.05484	31.5
91.06061	1.3
92.05833	1.2
93.07045	51.6
94.07379	2.8
95.04969	17.3
103.05476	24.4
105.04524	8.1
105.07029	100.0
106.07246	1.7
106.07922	5.8
107.07332	3.3
114.37166	0.7
119.08582	16.4
121.02879	1.8
121.04025	1.2
121.06509	13.7
121.10143	71.0
122.06047	2.3
122.06895	0.8
122.09666	6.6
122.10488	2.5
123.08071	10.0
126.10940	0.9
133.07614	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	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
53.03949	7.1
53.73043	1.5
55.05511	20.8
65.03933	2.5
67.05505	10.1
77.03922	4.7
79.05492	100.0
80.05002	1.7
80.05802	1.9
91.05479	27.0
93.04543	3.8
93.07043	89.4
94.06557	2.3
94.07381	2.3
95.04973	22.3
103.05461	7.8
104.04981	1.6
105.04518	8.7
105.07014	15.6
107.07336	3.6
119.08517	2.0
121.02885	2.0
121.03992	7.1
121.06562	10.4
121.07603	4.8
121.08420	2.5
121.10139	30.4
122.06048	8.3
122.06834	1.6
122.09666	12.1
131.07602	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.62038	1.2
53.03946	3.6
55.05513	17.5
62.31593	1.3
67.05494	5.6
69.65112	1.9
69.65456	4.4
73.07723	1.3
77.03937	4.0
79.05492	100.0
80.05819	1.6
80.06247	1.3
81.07068	1.5
84.90428	1.3
91.05478	24.7
93.04527	4.2
93.07043	87.4
94.06581	2.7
94.07352	2.4
95.04971	19.6
98.23375	2.8
101.95990	1.2
103.05473	6.2
105.04503	9.2
105.07033	15.0
106.07835	1.4
107.07344	4.8
120.10529	1.2
121.03120	1.8
121.03984	11.1
121.06551	7.4
121.07622	2.4
121.08433	1.6
121.10142	25.0
122.06038	6.7
122.09660	11.1
133.07607	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
57.03440	17.9
58.99868	4.3
61.45975	2.0
65.52216	2.1
68.02638	4.4
69.03445	2.8
69.23175	1.9
70.12215	2.2
70.12582	4.4
70.99870	2.2
73.02917	3.5
77.00913	2.3
78.52959	2.8
79.02183	2.7
81.03415	10.7
82.01443	45.0
82.01907	3.0
82.99829	5.1
85.02924	2.2
86.03684	6.3
88.02684	3.4
90.52956	2.4
100.00121	6.7
100.02486	100.0
101.00877	36.7
101.02596	3.6
104.52702	1.9
109.02909	4.3
113.00909	2.1
118.01150	5.9
118.03524	32.5
119.01918	75.7
126.11217	2.0
127.55131	2.1
131.01952	5.7
134.97783	2.0
137.02962	14.7
141.02733	5.9
142.03537	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	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
55.01878	1.7
57.03436	3.7
58.99857	1.1
61.02920	1.6
69.03424	3.8
70.90932	1.1
73.02912	1.9
77.00921	1.1
78.03455	3.6
78.52960	1.6
80.05018	25.5
81.01928	0.8
81.03419	2.2
81.07063	0.9
82.01447	33.9
82.99860	3.1
83.01532	2.0
84.52959	0.9
85.02902	2.2
85.53750	0.9
87.04510	0.7
88.02682	2.8
89.00423	0.6
90.52974	0.8
90.71220	0.7
91.84996	0.9
93.01937	1.3
95.04984	1.3
96.04498	7.2
97.02890	2.5
98.52665	0.9
100.02486	100.0
101.00883	31.4
101.02530	3.7
102.02370	2.0
103.00661	0.8
106.02902	5.8
108.90206	0.7
109.02887	1.3
111.02941	1.9
113.00889	1.3
115.02462	1.3
118.03527	36.8
119.01921	92.8
119.03628	2.1
120.02003	0.9
123.05554	86.6
124.02459	1.9
124.03955	10.0
124.05869	1.1
124.07595	1.5
131.01917	4.5
133.01678	0.9
133.03450	1.1
136.04640	0.8
137.02966	23.3
142.03511	7.7
143.01884	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Tropolone
Peak:m/z	Relative Intensity
51.02377	0.9
53.00293	0.4
53.03945	4.3
55.01860	0.9
55.05493	0.5
57.07074	0.5
57.40141	0.4
58.80056	0.4
65.03932	1.8
66.69295	0.4
67.01869	2.5
67.05504	13.6
70.57821	0.7
77.03930	9.5
79.05474	1.9
80.05024	0.7
81.03408	0.9
81.07052	10.0
81.07507	0.8
93.07032	0.5
95.01329	15.0
95.01928	0.9
95.04964	100.0
95.08596	1.8
96.01665	0.6
96.04483	0.3
96.05303	1.6
105.03409	2.6
105.04502	8.8
118.06528	0.4
119.11668	0.4
123.00797	1.6
123.04427	33.0
123.05483	2.3
123.08025	2.4
123.11695	2.7
124.03932	0.8
124.04793	0.7
126.44671	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0557
Annotation	Nicotinamide
Peak:m/z	Relative Intensity
53.03943	0.3
56.86048	0.1
70.82981	0.1
78.03452	2.0
79.04187	0.3
80.05020	29.6
81.05353	0.7
81.07051	0.2
82.01450	2.5
82.99844	1.2
95.05016	0.2
95.06110	0.2
96.04501	7.2
97.04844	0.2
98.23322	0.2
100.01819	0.2
100.02493	5.6
101.00887	10.1
101.02589	0.4
105.04510	0.3
106.02917	2.0
118.03527	1.9
119.01925	25.8
123.05556	100.0
124.03959	2.5
124.05919	3.3
124.07594	0.4
137.02965	5.7
139.54852	0.1
142.03520	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03954	5.6
55.01873	1.2
55.05515	17.0
55.15689	0.9
57.07092	4.8
57.64437	0.8
65.03934	4.0
67.05508	84.1
68.05836	1.9
68.36805	1.0
69.03419	1.9
69.07053	2.6
69.46598	4.2
77.02707	1.0
77.03922	2.2
79.05496	19.2
79.61446	0.9
80.05031	7.1
80.06280	1.6
81.03446	1.8
81.07059	100.0
82.07384	1.8
91.05491	3.1
93.07057	14.8
95.04977	30.9
95.08611	97.4
96.04480	2.3
96.08948	2.3
105.03400	1.8
105.04526	4.3
105.07041	7.0
107.04961	3.6
108.05737	15.0
108.07693	1.0
112.03981	1.6
119.01904	2.8
121.06522	3.4
121.10136	1.4
123.04441	10.6
123.05561	20.7
123.08073	79.6
123.09994	3.1
123.11708	33.7
123.96133	0.9
124.03987	7.5
124.07574	2.6
124.08423	2.3
124.12074	1.1
137.04504	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.1
53.03940	3.7
54.53022	0.7
55.01864	1.0
55.05513	17.1
57.02851	0.9
57.07077	6.2
60.86925	0.8
65.03935	3.6
67.01865	0.8
67.05503	78.0
68.05013	0.9
68.05836	1.4
69.03419	1.9
69.07071	3.3
74.04122	0.8
77.03928	2.6
79.05490	16.7
80.05019	7.0
80.06290	1.0
81.03410	2.3
81.07055	100.0
82.07396	1.0
91.05474	2.7
93.07045	14.2
95.01350	1.5
95.04968	26.8
95.08603	89.7
96.04478	2.8
96.08923	2.2
100.02470	0.9
103.05502	0.9
105.03396	0.9
105.04522	3.4
105.07026	8.8
106.07288	0.9
107.04939	2.2
108.05737	15.9
108.07635	0.9
112.04005	2.0
119.01936	1.5
121.06521	2.5
121.10142	1.5
123.04436	10.6
123.05551	22.8
123.08065	76.7
123.09985	3.0
123.11699	36.0
124.03939	9.0
124.07594	3.1
124.08411	1.7
140.03377	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50980	0.8
53.03947	1.6
55.05501	3.4
57.07059	3.1
57.53616	0.7
65.03938	1.2
67.05505	15.5
69.07063	1.8
77.40692	0.8
79.05485	11.7
80.05019	11.0
81.04481	0.8
81.07056	100.0
82.07378	3.4
95.04957	2.8
95.06087	1.6
95.08601	11.2
96.04495	5.0
100.02481	1.4
101.00874	3.8
105.06998	1.4
108.05731	1.5
112.03961	1.9
116.62805	0.9
118.03537	0.9
119.01920	18.9
121.10142	0.8
123.04537	2.1
123.05550	39.1
123.08069	8.6
123.09132	5.6
123.10007	1.2
123.11700	21.5
124.03948	12.6
124.05910	1.4
124.07584	7.3
124.08617	1.4
124.12004	1.2
137.02943	6.9
140.03412	1.0
142.03477	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	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38668	0.3
53.03936	1.8
54.10052	0.3
55.01864	0.5
55.05508	4.6
57.07069	2.8
65.03941	1.7
66.04736	0.4
67.05504	16.6
69.07062	1.9
71.43085	0.4
77.03913	0.8
79.05494	14.3
80.05019	3.7
81.03442	0.6
81.07056	100.0
82.07385	3.2
83.40170	0.4
93.07042	1.6
94.07836	0.6
95.01306	0.6
95.04971	8.3
95.08603	11.5
96.04494	2.3
96.08942	0.6
100.02501	0.5
101.00910	1.0
105.03395	0.5
105.04511	0.9
105.07037	1.1
108.05747	1.5
112.03988	1.1
119.01915	3.6
121.10145	0.7
123.04443	4.7
123.05546	12.0
123.08065	5.9
123.09083	0.7
123.09978	0.6
123.11704	18.2
124.03963	6.1
124.04816	0.4
124.05879	0.5
124.07614	1.7
124.08427	0.5
124.12035	0.7
137.02928	1.2
140.03337	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
53.03942	1.4
55.01865	0.5
55.05508	4.6
57.07075	5.3
65.03938	1.6
67.05502	20.5
67.05868	1.0
69.07058	2.8
69.49655	2.0
78.03465	0.5
79.05488	13.0
80.05007	4.6
81.03430	1.1
81.07054	100.0
82.07403	2.5
88.42423	0.5
91.05468	1.1
93.07042	2.8
94.07820	0.7
95.04977	5.3
95.08605	18.5
96.04493	2.0
96.08948	0.7
98.23376	1.1
101.00858	0.9
105.07024	1.0
108.05740	1.0
112.03941	0.9
119.01909	1.9
121.10107	0.6
123.04473	1.5
123.05550	10.6
123.08060	13.7
123.09060	0.7
123.11702	25.8
124.03960	5.0
124.07599	1.1
124.08472	0.6
124.12047	1.0
137.02888	0.8
140.03401	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
53.03952	0.9
55.05512	3.2
57.07077	5.8
65.03930	0.8
67.05506	13.9
69.07059	2.6
70.29453	1.0
77.03892	0.4
78.03471	0.7
79.05493	11.7
80.05018	6.8
81.07056	100.0
81.19211	0.5
82.07383	2.4
85.78353	0.4
93.07043	1.8
94.07811	0.6
95.04958	2.2
95.06091	0.5
95.08607	15.7
96.04478	3.8
96.08942	0.7
99.59023	0.6
101.00852	1.2
106.02890	0.5
108.09383	0.7
112.03946	1.0
112.78346	0.5
118.37451	0.5
119.01924	7.3
121.10154	1.7
123.04475	1.7
123.05553	22.0
123.08075	3.2
123.09248	0.8
123.11707	36.9
124.03951	8.1
124.05905	1.0
124.07597	2.9
124.12022	1.7
137.02962	2.1
138.52542	0.5
142.03453	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
53.03938	1.6
55.05505	3.4
55.22501	0.5
57.07068	3.8
63.67786	0.5
65.03937	1.3
65.04776	0.4
65.05122	0.6
67.05502	17.9
68.05843	0.5
69.07056	2.4
77.03931	1.2
79.05489	11.6
80.05012	3.1
81.07051	100.0
82.07394	1.8
93.07047	1.4
95.01350	0.8
95.04964	18.0
95.08604	10.8
96.04498	1.2
96.05255	0.7
105.03412	1.1
105.04501	3.0
106.96185	0.5
108.05745	1.0
116.08546	0.4
119.01946	0.9
121.10137	1.0
123.04429	8.0
123.05546	8.8
123.08043	5.5
123.08961	0.6
123.11698	21.6
124.03967	3.7
124.04781	0.8
124.07562	2.4
124.12047	0.7
135.58983	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.05515	3.5
55.17578	0.4
56.66544	0.4
57.07075	4.0
57.56783	0.5
65.03940	0.9
67.05505	15.1
68.05811	0.6
69.07064	1.9
69.60036	0.5
69.60378	1.7
71.89345	0.4
73.79890	0.4
77.03934	0.9
79.05496	13.2
80.05020	4.1
81.07056	100.0
82.07378	2.6
93.07058	2.1
94.07817	0.9
95.04971	6.8
95.08610	13.7
96.04497	1.8
98.23475	0.9
99.77219	0.5
101.00888	0.7
105.04495	1.4
105.07031	1.0
107.04961	0.5
108.05759	2.9
112.03936	0.8
119.01944	2.2
121.06451	0.6
121.10136	1.1
123.04457	3.7
123.05556	12.7
123.06424	0.9
123.08074	12.9
123.09041	1.0
123.11707	23.9
124.03953	5.2
124.05901	0.5
124.07592	2.1
124.08411	0.8
124.12054	1.6
131.44424	0.4
137.02972	0.6
140.03445	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99880	0.3
70.99848	0.6
74.38815	0.3
77.00883	0.3
78.03456	0.2
80.05022	4.2
81.05343	0.3
82.01447	0.6
82.99833	2.8
83.01463	1.1
84.01189	0.7
96.04513	1.3
97.02901	0.3
97.04842	0.4
100.02495	1.7
101.00880	33.7
101.02550	3.7
101.91679	0.3
102.00929	1.3
102.02208	1.6
111.00372	0.3
112.03973	0.5
118.03501	0.6
119.01920	100.0
120.01991	3.8
120.03197	0.4
121.02378	0.4
124.02457	0.9
124.03952	8.9
124.05917	1.3
124.07597	4.5
131.01851	0.3
137.02957	23.1
138.03084	0.9
142.03497	6.2
143.03711	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34126	0.2
58.62902	0.2
59.90139	0.2
70.89308	0.5
72.70738	0.2
72.72395	0.2
82.01418	0.6
82.99841	4.2
83.01530	0.7
100.02471	0.6
101.00879	42.5
101.02550	1.9
102.00924	1.3
102.02209	0.5
111.00468	0.3
119.01917	100.0
120.01990	3.6
121.02353	0.4
124.02450	0.9
124.03986	0.2
137.02954	19.8
138.03030	0.6
142.03493	5.6
142.04546	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94320	0.2
55.07117	0.2
58.99858	0.3
60.00636	0.3
70.53068	0.2
70.53381	0.3
78.57314	0.2
80.05007	0.6
82.01452	0.5
82.99842	3.2
83.01513	0.5
83.99929	0.2
91.81278	0.2
96.04448	0.4
100.02470	0.9
101.00876	39.2
101.02508	1.2
102.00954	1.1
102.02216	0.5
109.05259	0.2
110.82784	0.2
111.00392	0.3
112.03969	0.2
118.03539	0.3
119.01914	100.0
120.01998	2.9
121.02345	0.4
124.02486	0.9
124.03939	1.2
124.05898	0.4
124.07580	2.0
137.02951	22.9
138.03040	0.8
142.03490	6.3
143.03662	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0235
Annotation	2-Hydroxy-1,4-benzoquinone
Peak:m/z	Relative Intensity
51.02379	0.8
53.03949	3.4
55.01868	1.5
55.05506	1.0
56.71046	0.5
57.03418	0.6
60.58697	0.4
60.63571	0.4
65.02479	0.5
67.05505	0.9
69.03426	62.5
69.07064	2.6
70.03755	1.1
77.03927	1.1
79.01842	2.9
79.05492	17.0
80.04984	0.7
81.03421	10.0
81.07047	4.3
82.06591	1.7
82.07376	0.6
83.04992	1.9
86.76807	0.5
90.53253	0.5
91.05438	0.7
95.04981	4.0
97.02891	100.0
97.06520	4.4
97.07576	0.5
98.03214	1.6
105.04522	1.2
107.01363	0.5
107.04939	3.2
107.06075	0.8
107.08608	1.6
108.04497	2.0
110.03667	0.6
125.02349	51.7
125.05982	18.0
125.07061	1.8
125.09585	2.6
126.02696	0.7
126.05515	1.6
135.29947	0.5
140.76131	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0236
Annotation	2-Hydroxy-1,4-benzoquinone
Peak:m/z	Relative Intensity
51.02387	0.7
51.79055	0.5
53.00303	1.1
53.03946	4.6
54.20865	0.5
55.01864	0.6
67.05494	0.9
69.03429	45.4
69.07058	1.2
69.49991	1.8
77.03939	0.6
79.01842	3.1
79.05493	9.9
80.10178	0.5
81.03416	18.8
81.07056	1.9
95.04977	1.3
97.02892	65.1
97.06525	1.9
98.03232	1.0
101.69486	0.5
107.01327	1.4
107.04945	2.2
125.02351	100.0
125.05984	15.3
125.06926	0.8
125.09595	0.7
126.02691	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0963
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
53.03949	7.4
53.37447	2.8
55.01877	19.1
55.05513	100.0
59.32202	2.6
65.07025	2.8
66.54100	3.3
67.05511	18.2
67.05807	3.0
69.03416	10.8
69.07070	21.0
69.19026	2.6
71.42900	2.7
71.43276	3.0
79.05497	36.2
80.05018	8.2
81.07055	63.7
82.06573	19.0
83.04982	21.4
83.06100	3.6
83.08614	9.8
84.96030	11.6
91.05474	7.3
96.29618	2.6
97.04035	4.1
97.10168	30.6
102.86866	3.0
105.07060	2.9
107.06071	9.8
107.08588	26.0
108.04477	24.5
119.01912	2.9
120.02007	19.7
121.01662	9.1
125.04296	6.6
125.06116	5.6
125.07111	21.7
125.07913	5.2
125.09631	89.4
125.10703	10.4
126.05531	27.6
137.79770	2.6
138.03081	8.9
139.02742	5.1
142.66141	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	127.0392
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
53.03945	15.9
55.01864	7.6
56.53606	1.8
57.03410	2.2
59.76807	1.6
65.66207	1.5
69.03428	15.6
69.17815	8.6
69.18230	4.0
71.01377	1.8
71.04995	27.3
81.03413	9.9
83.01338	5.1
83.04975	2.2
85.02898	25.4
97.02894	83.2
98.23488	3.5
99.04459	37.2
109.02860	13.2
119.24843	2.7
127.03915	100.0
128.04201	2.2
144.91203	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0392
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
52.98857	1.2
53.03944	14.7
55.01875	8.4
55.05513	5.6
56.21605	1.1
57.03447	6.5
69.03432	15.1
69.07089	1.4
69.21041	5.4
69.21436	2.6
71.04988	28.1
81.03417	11.4
83.01346	4.6
83.04991	3.3
85.02908	28.5
95.01328	10.4
97.02892	79.5
98.03207	2.3
99.03802	2.1
99.04455	35.0
100.04713	1.3
109.02870	12.7
109.10172	1.5
117.66173	1.0
119.83736	1.1
127.03917	100.0
128.04277	3.1
128.06223	2.2
128.07120	1.9
133.73732	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0392
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
51.02391	1.2
53.00313	2.7
53.03703	1.5
53.03951	27.3
53.28249	1.0
55.01873	11.2
55.05526	1.0
57.03436	4.0
65.03947	1.8
67.01849	1.5
69.03432	73.0
70.03738	1.3
70.06467	3.0
71.01350	1.6
71.04998	6.3
74.19904	1.2
81.03420	71.5
81.07011	1.3
83.01340	3.4
84.08145	2.9
85.02898	3.4
88.25797	1.0
97.02898	10.9
98.03687	1.6
99.04464	12.6
109.02882	100.0
110.03232	3.0
116.10386	1.1
121.01684	1.4
122.01976	1.3
126.19397	1.2
127.03925	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0391
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
51.89818	1.4
51.93937	1.2
53.03739	1.6
53.03949	20.9
55.01863	5.2
55.05498	2.6
55.14319	1.1
57.03426	4.3
69.03426	17.9
71.04994	31.6
81.03410	13.7
83.01334	6.3
83.04984	3.5
85.02908	29.8
85.24511	1.5
88.40128	1.3
97.02896	87.9
99.04459	30.0
108.49250	1.3
109.02884	15.0
109.10123	2.0
121.13644	1.4
127.03917	100.0
128.04237	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	129.0548
Annotation	(4E)-2-Oxohexenoic acid
Peak:m/z	Relative Intensity
53.03935	1.9
55.01869	1.9
55.05511	59.8
56.05849	0.9
57.03424	0.6
59.04996	7.1
65.03929	1.7
67.05502	6.2
69.03432	6.5
69.07065	1.4
69.56725	0.6
69.75975	1.6
73.02884	0.9
80.01419	0.6
82.85901	0.5
83.01340	1.1
83.04980	100.0
84.04502	1.2
84.05322	2.1
84.08147	2.0
87.04477	0.7
101.06019	1.5
111.04440	30.6
112.07603	14.5
128.06207	1.3
129.04559	1.3
129.05479	16.4
129.07011	2.4
130.06508	4.0
130.08621	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	129.0548
Annotation	(4E)-2-Oxohexenoic acid
Peak:m/z	Relative Intensity
51.95494	0.4
53.03950	2.7
55.01864	2.3
55.05512	57.5
59.05000	7.5
61.79070	0.6
65.03952	0.9
67.05497	5.3
69.03428	6.3
69.07051	0.9
69.34292	3.1
81.03423	1.0
83.01335	1.1
83.04980	100.0
84.04523	0.6
84.05313	1.8
84.08150	1.5
93.03364	0.8
98.23418	1.4
101.06038	1.7
111.04443	28.3
112.04778	1.2
112.07605	8.5
128.06203	0.8
129.05479	17.2
129.06970	1.2
130.06577	1.9
130.08629	2.9
130.72293	0.6
139.90498	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.4
53.03946	0.8
57.03435	0.2
57.07074	0.2
67.05536	0.2
69.03431	0.3
70.03768	0.2
70.54438	0.3
77.03933	1.9
86.09692	0.2
91.05477	1.3
93.64619	0.2
95.04417	0.4
95.04974	4.9
95.05511	0.2
95.08592	0.5
98.22672	0.2
102.04704	0.9
103.05469	100.0
104.05797	2.3
105.04516	2.3
113.07944	1.4
116.06232	0.2
131.04930	13.7
131.06879	0.7
131.08537	1.7
132.05278	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
52.92134	0.2
53.03959	1.2
57.03433	0.3
69.03422	0.2
69.27903	0.9
70.03757	0.3
75.70661	0.2
77.03927	1.8
86.09685	0.3
91.05491	2.1
95.04967	4.3
102.04676	0.8
103.05470	100.0
104.05799	3.6
105.04520	2.4
113.07964	1.0
116.06261	0.4
128.00125	0.2
129.07016	0.4
131.04935	15.5
131.06935	1.0
131.08534	2.6
132.05292	0.6
132.06494	0.4
132.08054	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
50.89094	0.2
55.54381	0.2
56.96554	0.3
57.03439	0.4
61.70408	0.2
69.07063	3.7
70.93723	0.3
73.02917	0.3
78.64741	0.2
86.09704	100.0
87.09479	0.4
87.10022	2.2
105.06985	0.3
108.10640	0.2
109.90359	0.2
119.01950	0.4
132.10199	1.4
133.10287	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	133.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
53.44826	1.4
55.01862	2.5
55.05500	4.8
57.03424	4.4
61.38191	1.5
63.53115	1.1
69.03432	7.7
69.79443	3.0
70.06571	1.3
77.03916	1.6
79.05492	11.3
85.02912	4.1
87.04456	2.3
91.05478	23.1
93.07046	5.1
95.04975	2.8
98.23372	1.7
103.05469	6.4
105.03391	3.1
105.07024	100.0
115.05445	4.8
117.07037	4.1
118.07793	4.0
131.08583	6.5
133.06483	21.0
133.10129	70.6
148.75569	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
55.01866	2.1
55.05512	3.9
57.03439	9.0
59.05024	1.2
59.26214	0.8
67.05503	1.3
69.03435	14.7
69.44486	2.2
69.44878	1.9
73.59425	0.8
75.04494	0.9
77.03927	2.4
79.05492	12.8
85.02896	9.7
87.04459	2.9
90.04724	1.2
91.04937	1.8
91.05479	22.3
93.07059	4.4
95.04969	4.7
97.02905	2.0
103.05463	7.9
105.03407	5.1
105.04523	2.0
105.07030	100.0
106.07365	2.2
115.05458	5.5
117.07026	3.5
118.04168	3.6
118.07825	2.4
131.08566	6.6
133.02884	3.1
133.06491	42.3
133.10130	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27523	0.4
51.88347	0.4
53.03940	0.8
55.01874	2.2
55.05510	1.2
57.03434	0.8
57.88076	0.3
67.05510	0.4
69.03432	0.8
70.06577	0.4
71.44987	0.6
77.03929	1.8
79.05492	11.1
85.02885	0.6
87.04465	0.7
91.05482	17.8
92.04436	0.4
93.07049	1.7
95.04973	3.9
103.05463	7.9
105.03406	3.4
105.04511	1.4
105.07030	100.0
106.06552	2.7
106.07368	3.2
107.04950	0.8
108.97522	0.4
109.06523	0.7
115.03974	0.8
115.05452	4.6
117.07030	1.6
118.04131	0.8
118.07806	1.2
119.06055	0.7
131.04936	1.5
131.08563	3.7
133.02855	1.6
133.06491	75.5
133.10124	19.4
133.11151	0.8
134.06015	3.6
134.06877	2.5
134.10469	0.8
154.94632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.27523	0.4
51.88347	0.4
53.03940	0.8
55.01874	2.2
55.05510	1.2
57.03434	0.8
57.88076	0.3
67.05510	0.4
69.03432	0.8
70.06577	0.4
71.44987	0.6
77.03929	1.8
79.05492	11.1
85.02885	0.6
87.04465	0.7
91.05482	17.8
92.04436	0.4
93.07049	1.7
95.04973	3.9
103.05463	7.9
105.03406	3.4
105.04511	1.4
105.07030	100.0
106.06552	2.7
106.07368	3.2
107.04950	0.8
108.97522	0.4
109.06523	0.7
115.03974	0.8
115.05452	4.6
117.07030	1.6
118.04131	0.8
118.07806	1.2
119.06055	0.7
131.04936	1.5
131.08563	3.7
133.02855	1.6
133.06491	75.5
133.10124	19.4
133.11151	0.8
134.06015	3.6
134.06877	2.5
134.10469	0.8
154.94632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02374	0.5
53.03944	1.7
55.01862	1.8
55.05511	2.5
58.19369	0.4
64.95422	0.4
65.03926	0.6
67.05502	0.8
75.61794	0.4
77.03931	3.6
79.05496	21.6
80.05808	0.8
90.27566	0.3
91.05484	18.5
92.05798	0.5
93.07050	4.7
95.04966	6.2
99.12579	0.3
103.05466	12.8
103.36545	0.4
105.03394	1.6
105.04545	2.8
105.07032	100.0
106.07371	3.0
107.08575	0.7
115.05459	5.6
116.06251	0.8
117.07017	4.5
118.04164	1.0
118.07816	5.4
129.07066	0.5
131.08571	6.5
133.02869	1.3
133.06502	27.5
133.10129	79.0
134.05930	0.5
134.06879	1.1
134.10448	2.5
144.08746	0.4
152.94655	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.73499	0.2
51.92012	0.2
52.33239	0.2
53.03944	0.3
55.05511	3.7
65.03929	0.4
67.05501	2.2
71.45049	0.3
77.03941	0.3
79.05498	4.2
88.02209	0.4
91.05479	32.0
92.05802	0.7
93.07035	1.4
95.04977	0.9
103.05480	1.4
105.07028	100.0
106.07368	2.9
107.20524	0.2
115.05457	0.8
116.06275	0.3
117.07020	1.0
118.07812	1.1
129.07054	0.3
131.08569	5.5
133.07687	1.3
133.10127	38.2
134.06009	0.4
134.10498	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03940	0.8
54.97821	0.8
55.01847	0.8
55.05516	4.4
55.67424	0.9
63.41639	0.9
67.05499	9.1
69.17012	3.7
70.06583	1.0
77.03917	1.1
79.05496	10.1
80.05807	0.9
91.05480	100.0
92.05830	2.5
93.07047	2.2
95.04987	1.7
103.05464	1.9
105.03407	1.0
105.07031	73.0
106.06578	0.9
106.07302	1.0
111.17294	0.8
115.05441	1.1
117.07037	1.3
118.07789	2.2
131.08540	4.5
133.06487	5.1
133.07608	4.2
133.10127	43.9
134.10500	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04096	0.3
52.41680	0.3
53.03936	0.5
55.05508	1.9
56.21556	0.3
57.39815	0.3
59.52043	0.3
59.53129	0.3
60.49411	0.2
60.72841	0.3
67.05508	0.5
70.73953	0.6
72.48975	0.2
75.71105	0.3
77.03919	1.4
78.58790	0.2
79.05488	5.4
90.62305	0.3
91.05476	14.6
93.07047	3.7
95.04955	1.3
103.05450	2.4
104.14217	0.3
105.03393	0.5
105.07027	42.2
106.07363	0.8
107.08590	1.0
115.05441	4.4
116.06281	0.8
117.07021	4.8
118.07813	6.9
129.06953	0.4
131.08553	6.4
133.02858	0.5
133.06584	2.2
133.10123	100.0
134.10437	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	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.05719	0.4
55.05502	2.0
61.15974	0.5
61.34664	0.4
67.05512	0.4
68.55597	0.4
69.26078	0.9
69.26476	1.6
77.67019	0.5
79.05492	5.2
90.42959	0.4
91.05482	14.8
93.07040	3.6
95.04964	1.3
103.05476	2.2
103.91085	0.5
105.07030	42.7
106.07413	1.0
107.08618	1.2
115.05429	3.6
115.52283	0.4
116.06243	0.8
117.06994	5.4
118.07793	6.0
129.07022	0.5
131.08560	6.1
133.10126	100.0
134.10448	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	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.05503	1.4
67.05485	0.5
77.03915	0.9
79.05499	4.1
90.48358	0.3
91.05483	14.0
93.07050	4.2
95.04965	1.0
103.05479	3.2
105.04533	0.7
105.07030	41.1
106.07356	1.1
107.08595	0.9
115.05460	4.6
116.06279	0.6
117.07011	5.3
118.07804	6.5
131.08568	5.8
133.02840	0.6
133.06520	3.1
133.10127	100.0
134.10481	3.6
139.60220	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0442
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
51.02365	1.0
53.03940	2.4
55.05504	1.9
63.02368	4.4
67.05482	1.1
70.91855	1.7
77.03924	4.8
77.26321	1.0
79.05493	24.6
89.03915	98.8
90.04246	2.4
91.05477	11.6
93.07039	17.1
95.04980	9.5
105.04512	5.6
105.07002	3.9
107.04945	22.4
107.08594	25.8
109.06523	1.8
115.05486	1.6
117.03374	42.9
117.07058	1.4
119.06023	1.2
119.08522	1.1
130.97687	1.0
135.04410	100.0
135.08054	5.7
135.11682	5.1
136.02170	9.5
136.04778	2.0
136.06180	3.4
145.03973	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.2
55.05297	0.8
55.05513	10.1
65.03931	0.8
67.05496	2.9
69.07063	4.3
70.44616	1.5
77.03924	3.2
79.05492	20.1
81.07042	3.1
91.05479	31.1
93.07042	62.0
94.07376	2.1
94.07876	1.6
95.04967	6.8
95.08624	1.0
99.96131	0.7
104.79021	0.7
105.04510	3.4
105.07033	13.1
107.08591	100.0
108.08923	3.1
109.06506	3.8
115.05441	0.8
119.06023	4.3
119.08576	5.7
120.09385	1.3
135.08084	2.1
135.11682	21.8
136.02170	2.2
136.06181	1.3
136.12042	1.2
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	Unknow
Peak:m/z	Relative Intensity
51.10411	1.2
53.03934	1.7
55.01871	1.3
55.05516	9.4
57.45679	1.2
67.05505	2.4
69.07075	2.9
72.47059	1.3
77.03923	2.4
79.05493	29.1
81.07061	3.8
89.03915	16.9
91.04937	2.5
91.05482	34.9
93.07047	49.3
94.07875	1.4
95.04975	8.7
105.04520	5.8
105.07034	19.1
107.04975	8.0
107.08595	100.0
108.08904	2.0
109.01088	1.7
109.06515	6.1
115.05438	1.9
117.03406	6.5
117.07016	1.9
119.06094	5.1
119.08581	8.6
119.15014	1.2
120.09349	3.3
135.04430	18.7
135.05452	1.6
135.08057	8.5
135.10915	1.0
135.11697	28.2
136.02162	35.8
136.05151	1.7
136.06195	12.5
136.07597	3.2
137.04611	1.2
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
53.03941	3.3
55.01855	2.5
55.05511	14.3
67.05216	1.9
67.05507	22.1
69.07058	7.4
69.44090	6.9
77.03902	3.4
79.05490	71.8
80.05817	2.3
81.07049	23.9
84.84531	1.8
89.03917	7.1
91.05482	26.8
93.07042	100.0
95.04971	8.7
105.04512	5.4
105.07049	8.6
107.04950	7.2
107.08592	73.7
108.08151	2.0
108.08894	2.2
109.01094	3.0
115.05447	2.4
117.03394	4.6
117.06976	4.3
117.92349	1.8
119.05965	1.5
119.08574	2.6
135.04417	8.0
135.05507	4.0
135.08093	13.8
135.11687	77.7
136.02167	56.5
136.03816	2.0
136.06172	15.6
136.07623	3.4
136.12039	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03941	2.7
55.01860	2.4
55.05514	9.5
65.03938	1.6
67.05500	3.0
69.03432	1.0
69.07059	2.7
69.09219	2.1
69.09621	2.1
75.15755	0.6
77.03922	3.0
79.05495	30.5
80.05841	1.1
81.07055	3.1
89.03920	11.5
91.05480	33.5
92.05785	1.5
93.07045	63.7
94.07380	2.4
94.42784	0.6
95.04967	9.1
105.04519	4.3
105.07035	11.5
107.04954	8.3
107.08593	100.0
108.08916	3.7
109.01121	1.0
109.06518	6.0
115.05452	4.5
117.03396	6.2
117.07029	4.6
119.06065	5.5
119.08559	4.8
120.09435	1.3
124.52753	0.6
135.04424	20.0
135.08058	14.4
135.11685	19.8
136.02161	14.1
136.04710	0.9
136.06195	6.7
136.07504	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03936	1.7
53.07206	0.8
55.05506	5.4
65.03932	1.9
67.05506	2.3
69.07063	1.6
70.72531	0.7
71.03925	1.3
71.47055	0.9
77.03912	3.1
79.05495	21.9
81.07051	2.1
89.03907	3.6
91.05480	45.6
92.05803	1.6
93.07045	47.1
94.07333	1.1
94.07854	1.1
95.04968	8.9
95.08609	1.1
103.05455	1.1
105.04513	4.6
105.07030	24.8
106.07301	1.0
106.18946	0.8
107.04962	3.7
107.08592	100.0
108.08920	2.5
109.06519	6.9
115.05448	2.5
117.03345	1.1
117.07033	5.6
119.06059	5.5
119.08583	14.3
120.09411	4.9
133.10146	1.6
135.04424	4.8
135.08057	11.3
135.11694	35.8
136.02150	5.4
136.06190	1.7
136.12013	1.2
147.09216	1.6
149.52589	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74292	0.5
53.03951	2.3
55.05513	9.0
57.07096	0.9
67.05508	2.3
69.07064	3.1
69.33826	2.2
77.03927	3.6
79.05496	19.4
81.07052	3.0
89.03931	1.1
91.05482	27.8
93.07045	60.6
94.07343	1.2
94.07866	1.3
95.04970	7.2
105.04533	2.9
105.07028	14.3
107.04978	1.5
107.08594	100.0
108.08926	2.7
109.06521	6.0
117.03402	0.6
117.07013	0.7
119.06073	5.0
119.08572	5.7
120.09364	1.7
133.10124	0.6
135.04414	4.2
135.05347	0.7
135.11691	23.1
136.02126	1.3
136.06210	1.0
136.12039	1.1
147.09084	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03946	2.6
55.05513	10.8
57.07080	1.4
60.54846	0.6
65.03941	0.8
67.05509	3.1
69.07063	3.6
70.12090	1.7
77.03918	3.6
79.05494	21.6
79.05952	1.3
81.07064	3.4
89.94730	0.6
91.05479	29.1
92.05819	1.1
93.07044	57.0
94.07328	1.3
94.07854	1.0
95.04980	6.8
103.05468	0.9
105.04552	3.5
105.07038	10.2
105.65292	0.5
107.04949	1.7
107.08594	100.0
108.08932	3.1
109.06531	4.8
117.06969	1.0
119.06074	4.4
119.08567	6.1
120.09367	1.7
135.04405	2.7
135.08107	1.2
135.11696	23.3
136.02127	1.3
136.11957	0.7
140.97585	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78349	1.0
53.03940	2.2
55.05507	6.7
57.07061	1.7
57.16753	0.8
60.15781	0.9
62.97414	0.8
67.05517	1.2
71.25113	0.9
75.44124	0.8
77.03922	2.6
79.05492	14.5
81.07047	2.1
89.03917	5.9
91.05478	42.3
92.05823	1.2
93.07045	48.0
94.07330	1.0
95.04956	7.5
103.05486	1.2
105.04509	2.4
105.07035	19.2
107.04961	2.2
107.08591	100.0
108.08923	3.4
109.06517	6.6
117.03387	2.6
117.07043	2.1
117.90542	0.9
119.06084	5.6
119.08582	21.6
120.09381	4.7
133.10141	1.9
135.04413	5.7
135.08044	4.1
135.11688	53.0
136.02167	4.7
136.06143	1.1
136.11964	2.6
137.09612	1.6
147.09201	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01851	1.0
55.05509	7.2
56.23273	1.0
57.07064	1.5
67.05494	1.4
69.07064	2.5
70.74138	1.2
72.55070	1.0
77.03910	1.5
79.05485	18.6
80.23405	1.1
81.07050	2.3
89.03918	6.3
91.05478	37.1
93.07041	48.8
94.07369	1.1
95.04960	6.7
97.33686	1.0
103.05444	0.9
104.06246	1.2
105.04499	2.6
105.07034	18.9
107.04939	4.0
107.08592	100.0
108.08946	3.4
109.06528	6.4
115.05468	2.0
117.03403	1.8
117.07035	1.5
119.06071	4.7
119.08563	13.4
120.09398	2.3
135.04428	5.7
135.05328	1.1
135.08041	6.4
135.11693	36.3
136.02158	12.4
136.06184	3.8
136.12048	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03922	1.3
55.05507	7.4
57.07072	1.7
61.69675	1.3
65.03921	1.2
67.05493	2.2
69.07059	3.2
69.18813	1.1
77.03915	1.5
79.05492	21.4
81.07058	2.1
89.03913	2.5
90.25379	1.1
91.05482	43.7
93.07041	50.3
94.07354	1.8
95.04981	7.5
98.23479	3.3
105.04510	4.2
105.07025	20.6
107.04933	3.1
107.08591	100.0
108.08913	4.0
109.06522	6.2
117.03365	1.3
117.07017	2.9
119.06052	6.0
119.08581	17.1
120.09331	4.3
121.94341	1.0
135.04417	3.9
135.05508	1.7
135.08037	4.1
135.11685	38.6
136.02167	11.1
136.06184	5.7
136.07532	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03942	4.1
55.01866	2.3
55.05519	9.8
59.74627	1.6
64.27319	1.5
65.03943	1.6
67.05503	50.2
69.07076	9.3
69.61987	6.6
77.03899	2.8
79.05494	66.0
80.05849	3.6
81.07055	34.3
81.50932	1.6
91.05472	20.9
92.05824	1.9
93.07043	100.0
95.04946	7.7
98.23340	3.4
105.04501	4.6
105.07056	5.2
107.04965	1.9
107.08593	61.6
108.08973	2.7
115.46710	1.7
135.08052	6.2
135.11693	82.3
136.02147	20.6
136.03961	1.8
136.05199	2.2
136.06189	11.3
136.07538	3.0
136.12012	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.99021	1.4
53.03941	2.2
53.11356	1.3
55.05508	9.8
65.03943	2.2
65.21743	1.4
67.05505	53.8
69.07077	10.2
69.59003	5.6
69.59344	1.7
77.03921	1.8
79.05493	68.9
80.05832	2.1
81.07056	28.7
91.05480	20.5
93.07043	100.0
95.04961	8.3
98.22676	1.7
105.04519	5.0
105.07039	3.5
107.04945	3.0
107.08594	55.0
109.01086	1.5
119.06065	1.9
135.05540	3.1
135.06563	2.0
135.08147	6.9
135.11691	71.0
136.02168	39.2
136.06175	26.0
136.07506	2.9
136.12061	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03943	2.7
55.05508	9.3
58.52442	0.8
63.13264	0.7
65.03939	1.8
67.05502	2.3
69.04028	0.8
69.07071	3.6
69.57717	2.2
77.03935	2.2
79.05494	18.3
81.07055	2.3
88.88901	0.8
89.03934	2.2
91.05476	33.0
92.05810	1.1
93.07040	48.4
94.07396	1.4
95.04979	7.5
105.04548	2.7
105.07026	12.7
106.07345	0.9
107.04974	2.8
107.08593	100.0
108.08952	2.9
109.01114	1.0
109.06521	5.4
117.03355	1.0
119.06069	5.1
119.08578	8.6
120.09400	1.3
135.04440	5.0
135.05446	1.4
135.08093	2.4
135.11693	24.9
136.02156	13.1
136.06184	3.6
136.07632	1.0
154.70189	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Adenine
Peak:m/z	Relative Intensity
55.85283	0.1
59.98381	0.1
67.02978	0.3
70.17957	0.3
83.79964	0.1
91.05474	0.2
92.02497	0.3
94.04054	2.8
95.37187	0.2
98.22804	0.2
109.05123	0.4
112.05086	0.2
119.03548	8.1
136.06180	100.0
137.04585	3.8
137.06674	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.05293	0.5
53.03957	0.7
65.03942	1.5
66.04722	3.4
67.05505	2.3
71.10806	0.6
75.15057	0.5
75.62798	0.6
79.05489	2.6
81.07071	3.2
91.05477	4.4
94.04194	31.1
95.04448	0.8
95.04973	2.6
95.08611	1.0
96.04504	0.8
98.35815	0.5
107.04937	0.9
109.06541	1.2
109.10179	0.7
110.06074	1.2
121.06516	1.1
122.03653	48.6
123.04001	1.3
133.77106	0.6
137.02577	3.0
137.05983	100.0
137.06963	3.6
137.09592	2.3
137.10741	1.9
138.01720	0.7
138.05452	2.7
138.06412	3.6
138.09134	1.2
146.55577	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02389	0.2
53.03935	0.4
55.01860	0.3
65.03938	0.9
66.04720	3.0
67.05500	0.5
70.41993	0.3
77.03933	0.7
79.05483	3.0
81.07059	1.3
83.59480	0.2
89.69758	0.2
91.05483	2.9
93.03353	0.2
94.04183	27.6
95.04499	0.5
95.05025	0.8
104.93230	0.2
105.03392	0.6
105.04494	0.4
107.04948	1.4
109.06509	0.8
122.03642	47.2
123.03969	1.2
135.04387	0.5
137.05969	100.0
138.05453	0.3
138.06322	2.6
138.09154	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03956	0.8
55.01867	0.8
65.03943	1.3
66.04723	3.0
67.05511	3.6
69.03417	0.6
73.65151	0.4
77.03945	1.9
79.05501	4.8
81.03428	0.9
81.07053	3.7
86.68935	0.3
91.05481	8.8
93.07047	5.9
94.04188	28.3
95.04500	0.4
95.04987	3.4
95.08627	1.1
105.03405	0.6
105.04517	1.0
107.04958	1.4
107.08601	0.7
109.06523	2.2
109.10176	1.9
117.07032	0.5
119.04958	1.0
119.08578	1.2
122.03649	47.6
122.07273	0.6
123.03990	1.2
130.83589	0.5
137.02556	1.8
137.05977	100.0
137.09569	4.4
138.05472	1.5
138.06390	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	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03933	2.2
55.05508	1.9
55.57359	0.8
57.07063	2.4
67.05161	1.2
67.05505	22.7
69.07066	2.2
69.44716	3.7
77.03917	1.0
79.05479	3.5
80.34729	0.8
81.07057	18.1
86.18401	0.8
91.05480	8.7
93.07031	4.7
93.07515	0.8
94.04196	6.6
95.04958	2.6
95.08609	19.9
98.23515	0.9
103.05485	1.6
105.04515	1.0
107.04958	12.4
109.10157	26.3
117.06980	1.7
119.08574	13.6
121.06499	6.8
122.03649	12.0
122.07287	74.0
123.07656	0.9
135.08034	2.9
137.02481	0.8
137.05984	27.0
137.09613	100.0
137.13258	2.5
138.06383	1.2
138.09956	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.9
55.05501	3.1
55.06373	0.7
57.07067	1.0
65.03929	1.7
66.04728	4.3
67.05507	29.1
67.05869	1.5
69.03442	0.9
69.07047	1.2
69.40698	2.7
69.41084	1.6
77.03924	1.7
79.05493	7.2
81.07057	14.9
83.95912	0.7
90.33759	0.7
91.05485	11.2
93.07041	3.4
94.04192	29.3
95.04987	4.1
95.08611	15.4
103.05473	1.1
107.04958	11.8
107.08598	2.0
109.06516	4.2
109.10157	31.8
117.07020	1.6
119.08584	13.2
121.06506	6.6
122.03651	45.0
122.07289	61.2
123.03978	1.3
123.07635	0.9
133.12257	0.7
135.08067	2.8
137.05981	100.0
137.09613	91.0
137.13193	1.5
138.06316	2.2
138.09973	2.4
139.37740	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	ALPHA-PHELLANDRENE
Peak:m/z	Relative Intensity
50.65320	0.8
53.03938	1.8
55.01878	0.8
55.05494	3.5
57.07077	14.7
61.86143	0.9
61.86989	0.8
65.03944	1.9
66.04724	3.2
67.05162	1.5
67.05505	23.9
67.70338	0.8
69.07073	6.7
69.79035	3.0
71.90340	0.8
77.03931	1.1
79.05495	11.4
81.07057	69.7
82.07378	2.0
90.88553	0.9
91.05481	4.6
93.07037	5.4
94.04189	26.0
95.04975	2.2
95.08607	90.3
96.04507	1.7
96.08935	2.7
107.04945	2.3
107.08566	1.0
109.06528	2.0
109.07606	1.1
109.10162	8.6
110.06058	1.3
121.06474	0.9
122.03650	50.3
123.03973	1.7
137.02542	5.8
137.05980	100.0
137.09602	3.5
137.13249	19.2
138.05479	9.0
138.06366	3.8
138.09131	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03938	1.7
55.05509	6.3
57.06813	0.9
57.07074	10.7
58.92529	0.5
64.55622	0.7
65.03927	1.3
66.04710	1.6
67.05500	27.9
69.07065	7.5
69.49836	1.9
69.50197	1.2
79.05489	10.7
81.07053	77.9
82.07389	1.3
86.94435	0.6
91.05478	3.8
93.07031	5.3
94.04182	9.7
95.04978	1.0
95.08601	100.0
96.08944	2.4
98.23452	1.3
107.04964	3.8
107.08601	0.7
108.09360	1.3
109.06500	0.7
109.10152	9.9
119.08578	2.6
121.06532	0.9
122.03645	15.2
122.07281	13.8
123.03973	0.8
137.02451	1.0
137.05971	31.4
137.09608	16.7
137.10663	1.1
137.13243	14.0
138.05444	1.6
138.06366	1.4
138.09975	0.7
138.13594	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	3,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
55.05502	1.5
56.96568	8.3
65.03942	44.1
66.04262	1.2
67.05500	1.0
69.03426	0.7
69.07058	0.8
69.57034	1.1
70.70165	0.5
79.05476	1.9
81.07061	0.9
83.04984	1.6
83.56671	0.5
93.03406	49.8
93.07057	1.9
94.03746	0.9
95.04989	1.1
95.08614	1.3
97.02875	1.0
97.06538	0.8
98.97586	40.0
111.04442	100.0
111.11740	0.5
112.04762	2.4
116.98621	21.9
121.02870	0.9
121.04005	1.9
121.06454	0.6
121.10146	1.2
125.02377	3.4
134.47255	0.5
134.99663	7.6
139.03908	15.0
139.04970	1.2
139.07520	2.0
139.08522	0.6
139.11172	1.1
140.04645	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1119
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.03940	2.6
54.98645	1.2
55.01865	4.3
55.05512	63.2
56.96292	1.5
56.96565	21.8
59.05006	1.7
67.05503	21.4
68.02636	3.5
69.03419	2.4
69.07067	15.5
69.67482	3.6
71.95261	1.1
79.01853	4.7
79.05477	8.2
81.07063	6.5
83.04983	47.7
83.08611	3.9
84.05313	1.2
85.06538	5.8
91.05474	3.5
93.07044	15.0
95.04961	4.4
95.08607	37.7
97.06528	6.8
97.10220	1.9
98.97583	100.0
105.07021	2.0
108.53851	0.9
109.02906	2.4
110.81672	0.9
111.04449	9.0
111.08086	2.1
116.98620	64.4
121.04012	2.4
121.10177	6.0
134.19814	1.1
134.99648	21.7
139.03920	20.9
139.04964	1.9
139.07619	1.5
139.08653	2.0
139.11185	21.0
140.00150	1.9
142.09035	1.0
158.01271	1.4
158.55209	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1118
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.03940	2.8
55.01874	3.2
55.05511	65.3
56.05843	1.4
56.96566	21.5
57.07074	1.8
65.03934	2.0
67.05504	19.6
67.05861	1.6
69.03415	2.6
69.07069	11.4
69.93032	2.8
69.93413	2.3
71.95279	1.9
77.95884	1.2
79.01837	2.2
79.05482	6.3
81.07053	4.6
83.04980	40.5
83.08630	3.8
84.05313	1.0
85.06568	6.3
91.05487	3.5
93.07038	11.0
95.04979	1.3
95.08601	32.1
97.06522	3.4
97.10199	1.1
98.22777	1.2
98.97583	100.0
105.07034	1.7
109.10139	1.6
111.04440	4.6
111.08075	2.8
116.98620	53.6
118.15470	1.1
121.04000	2.4
121.10155	5.8
134.99661	19.8
139.03897	7.0
139.04941	2.4
139.07498	1.5
139.11192	18.5
140.00211	1.6
153.00819	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1118
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
51.12867	1.6
53.03944	2.1
55.01865	6.1
55.05511	70.8
56.96568	20.2
57.03436	12.4
57.07063	6.4
59.04995	4.8
59.41483	1.7
65.03920	2.2
67.05502	9.7
67.05821	2.0
67.60885	2.0
68.02655	2.3
69.03425	27.3
69.07066	100.0
69.23724	12.2
77.03876	1.9
79.05495	18.8
81.07053	24.9
83.04982	47.6
85.16430	2.3
91.05453	3.1
93.07048	32.9
95.04955	2.6
95.08042	2.4
95.08607	40.3
96.05676	2.1
97.06532	33.1
97.10162	34.4
98.97581	81.3
98.98286	4.0
105.07035	5.6
111.04419	6.2
111.08113	2.6
111.11703	2.4
113.78359	1.9
116.97783	2.4
116.98618	47.1
121.03989	2.4
121.10148	20.8
134.99641	13.2
139.03888	7.7
139.04904	2.8
139.11168	70.5
153.91516	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	141.0547
Annotation	(-)-Sarcomycin
Peak:m/z	Relative Intensity
53.03941	2.0
55.01873	2.7
55.05513	3.7
56.96567	1.0
61.17119	0.6
65.03944	13.1
67.05505	100.0
68.05836	1.2
68.99773	1.0
69.03432	2.9
69.07071	3.1
70.55441	0.8
71.04989	2.4
79.05505	2.2
81.03427	6.4
81.07055	3.2
83.01340	0.9
83.04978	4.8
85.06573	0.9
95.04967	75.1
95.08618	6.9
96.05309	1.8
97.06521	1.5
98.97579	3.9
99.04469	1.8
99.08099	1.2
99.97937	2.6
111.00822	6.0
111.04449	12.0
113.06024	4.4
116.98608	2.1
117.98984	1.2
120.81582	0.8
123.04428	22.6
123.05270	1.4
123.08094	1.2
126.03137	3.8
130.87628	0.8
141.05475	20.5
153.82617	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0547
Annotation	(-)-Sarcomycin
Peak:m/z	Relative Intensity
50.81462	0.7
53.03933	2.1
55.01876	3.9
55.05500	3.4
57.03440	1.4
65.03939	11.7
67.05505	100.0
68.05820	1.3
69.03429	2.7
69.07079	4.5
69.24799	1.5
69.25197	2.9
71.05007	1.8
73.02914	1.4
76.87868	0.7
79.05476	1.4
81.03434	5.4
81.07059	4.7
83.01330	2.3
83.04980	4.8
85.06541	0.9
95.04969	80.8
95.08606	6.2
96.05289	0.8
97.06516	2.7
98.97579	2.3
99.04451	2.5
99.08099	3.0
99.97926	2.5
111.00803	2.2
111.04453	10.7
113.05994	3.6
116.98622	2.0
123.04433	21.0
123.08096	1.6
126.03096	1.7
141.05467	18.3
141.06462	0.7
156.72446	0.8
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
56.96554	2.0
70.04123	3.7
82.99841	3.4
100.02496	5.0
100.98006	2.1
101.00877	46.2
118.03523	9.9
119.01914	100.0
124.02470	3.8
136.04564	5.5
137.02977	20.3
142.03494	42.8
160.04555	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55536	3.2
62.38759	3.3
70.66527	5.7
75.76237	3.3
82.96970	3.7
82.99850	7.4
83.72015	3.2
87.74586	3.5
100.02493	6.5
101.00883	63.1
118.03532	12.3
119.01917	100.0
124.02514	7.0
136.04608	4.9
137.02956	15.9
142.03494	40.1
160.04564	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	2.0
70.04123	3.7
82.99841	3.4
100.02496	5.0
100.98006	2.1
101.00877	46.2
118.03523	9.9
119.01914	100.0
124.02470	3.8
136.04564	5.5
137.02977	20.3
142.03494	42.8
160.04555	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
55.01868	2.4
55.05507	18.1
57.07077	16.2
59.04998	3.3
67.05496	7.2
69.03425	7.7
69.07095	1.9
69.34540	4.0
69.34932	4.1
71.04993	100.0
72.08122	1.5
73.06544	11.8
79.05469	4.3
81.07060	2.9
82.35785	1.7
83.04984	9.8
83.08623	9.9
85.06541	46.5
97.10175	19.2
102.96893	3.0
107.07929	3.2
107.08596	41.1
121.21014	1.5
125.09633	30.8
128.06216	4.2
143.10667	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	143.1068
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
55.01860	1.9
55.05512	16.5
57.07080	14.1
59.05013	2.2
61.65866	1.5
67.05503	10.3
69.03430	6.2
69.07063	3.8
69.59983	1.9
69.60326	4.9
71.04994	100.0
73.06553	11.4
79.05503	6.0
81.07056	3.7
83.04971	11.0
83.08629	9.5
85.06544	46.0
91.05477	2.1
97.10170	14.8
98.22710	1.9
104.10886	1.4
107.08593	34.4
107.09349	1.9
122.68906	1.6
125.09637	27.6
128.06227	3.7
143.10660	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	143.1068
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
51.49628	1.8
54.71827	1.8
55.05506	20.3
57.07074	18.1
59.05004	4.7
67.05502	11.8
69.03427	9.2
69.07079	4.9
71.04995	100.0
71.43750	2.7
72.85188	2.1
73.06545	10.3
79.05489	7.1
81.07079	4.1
82.73360	2.1
83.04973	11.4
83.08625	8.2
85.06543	47.7
91.05489	3.4
97.10179	18.6
102.96880	4.2
105.07028	3.1
107.08595	43.9
115.05524	2.3
120.97923	3.0
125.09638	28.0
128.06215	4.5
143.08572	4.1
143.10718	10.8
144.06590	2.8
144.08113	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	144.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.1
56.96558	4.8
57.03430	4.9
60.95852	20.8
69.03419	6.5
69.57155	9.5
70.06578	9.7
72.08155	2.8
81.03407	2.9
84.04505	3.3
84.08136	9.6
84.96031	6.5
84.99575	3.4
85.02896	13.0
97.02901	6.4
98.06081	11.6
98.09680	6.7
98.97582	9.5
99.04491	3.1
101.00845	3.9
102.00918	13.5
102.02213	3.3
102.96865	100.0
103.00631	24.1
105.79197	2.4
116.98646	4.7
119.01908	15.2
120.01997	49.7
120.03270	8.7
120.97903	55.3
121.01661	66.0
121.02502	4.6
126.05527	4.2
137.03008	3.0
138.03020	13.1
138.04225	5.4
138.98915	19.1
139.02682	12.3
144.03212	27.4
144.04863	4.9
144.06509	4.3
144.10210	11.8
144.13756	3.4
162.04262	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	144.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50109	1.7
55.05518	2.4
56.05034	4.6
57.03443	3.1
58.02978	2.6
60.95856	15.1
62.92988	1.9
69.03419	3.2
70.06599	17.9
70.65698	2.9
73.02937	2.5
78.99776	5.1
80.05017	3.7
80.75764	1.5
81.03416	2.1
84.04505	7.3
84.96046	2.2
85.02901	4.6
86.02413	1.9
88.07619	2.6
97.00833	9.3
97.02877	2.8
98.06054	36.8
98.09670	2.7
98.97604	2.1
99.04457	4.9
101.00882	3.9
102.01000	6.3
102.02260	3.5
102.05520	2.1
102.96873	45.7
103.00622	25.3
103.01261	2.5
114.05592	2.0
116.98660	2.1
119.01920	15.1
120.02039	64.5
120.03284	6.5
120.97913	43.3
121.00803	13.8
121.01649	100.0
121.96651	7.2
126.02134	2.4
126.05527	8.3
127.03931	2.7
134.99617	2.5
137.02959	6.0
138.03079	23.2
138.04308	10.3
138.98958	31.1
138.99991	2.8
139.01813	32.9
139.02740	33.1
143.03644	1.8
144.03217	40.4
144.05571	4.9
144.06592	12.9
144.08102	7.9
144.10233	4.9
157.00000	5.6
162.04332	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	144.1019
Annotation	Stachydrine
Peak:m/z	Relative Intensity
53.03931	0.3
55.01863	0.5
55.05494	0.5
56.05032	0.3
56.96545	0.2
57.03421	0.7
57.39326	0.1
58.06596	11.0
61.02927	0.3
69.03428	1.3
70.03959	0.3
70.04270	0.2
70.06587	0.6
71.04973	0.4
72.08143	0.5
73.02890	0.2
79.05772	0.1
81.03401	0.6
83.04986	0.3
83.09608	0.1
84.08137	15.1
85.02898	2.8
85.08468	0.3
97.02883	0.9
98.06036	0.2
98.09686	4.7
98.10320	0.3
99.04468	1.0
102.00981	0.2
102.05527	1.4
102.96844	0.3
103.02442	0.2
108.89894	0.1
109.02899	0.2
120.01996	0.2
121.01672	0.4
127.03909	0.3
128.92206	0.2
133.04216	0.2
144.10187	100.0
145.10548	1.8
145.51584	0.2
151.17744	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	144.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
55.01863	0.5
55.05494	0.5
56.05032	0.3
56.96545	0.2
57.03421	0.7
57.39326	0.1
58.06596	11.0
61.02927	0.3
69.03428	1.3
70.03959	0.3
70.04270	0.2
70.06587	0.6
71.04973	0.4
72.08143	0.5
73.02890	0.2
79.05772	0.1
81.03401	0.6
83.04986	0.3
83.09608	0.1
84.08137	15.1
85.02898	2.8
85.08468	0.3
97.02883	0.9
98.06036	0.2
98.09686	4.7
98.10320	0.3
99.04468	1.0
102.00981	0.2
102.05527	1.4
102.96844	0.3
103.02442	0.2
108.89894	0.1
109.02899	0.2
120.01996	0.2
121.01672	0.4
127.03909	0.3
128.92206	0.2
133.04216	0.2
144.10187	100.0
145.10548	1.8
145.51584	0.2
151.17744	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	145.0497
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Peak:m/z	Relative Intensity
53.03944	5.3
53.05537	1.3
55.01874	15.2
56.32844	1.2
57.03437	16.9
59.04990	2.0
61.02916	3.8
65.48634	1.2
69.03432	56.7
71.04990	5.2
71.10261	1.2
73.02905	3.5
81.03417	5.5
83.01336	1.4
85.02906	100.0
85.08492	2.1
86.06068	6.9
87.04469	8.7
93.99342	1.8
97.02895	20.6
99.04459	24.2
99.10037	1.4
100.07590	1.3
103.00638	2.1
108.74926	1.2
109.02883	2.2
109.38305	1.2
119.01965	2.4
121.01669	9.3
127.03904	11.5
139.02730	2.7
145.04988	1.8
145.10551	12.0
146.08211	3.0
146.09256	6.4
164.76297	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05505	1.4
60.85841	0.6
65.03938	7.3
67.05503	1.0
69.07067	9.3
69.57928	1.7
75.44338	0.5
79.05507	0.7
82.96854	0.5
91.05479	86.2
92.05808	1.1
103.05486	0.6
104.04995	0.9
105.07027	6.3
117.06977	0.7
119.04940	100.0
119.08572	6.6
120.05283	2.2
120.08081	1.4
123.42871	0.6
128.27168	0.5
135.57132	0.5
145.10121	0.6
147.04407	60.5
147.08064	1.7
147.11685	5.5
148.04752	0.7
148.07576	2.9
159.47125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.68859	0.4
65.03937	6.8
69.32969	1.3
69.33356	0.8
70.02773	0.5
80.05011	0.6
91.05479	80.3
92.05812	1.5
95.04967	0.7
103.05478	0.8
104.05018	0.9
105.07036	2.8
118.06544	1.0
119.04940	100.0
119.08566	4.2
120.05291	1.6
120.08113	1.4
120.86514	0.5
146.15453	0.5
147.04408	57.7
147.08060	2.3
147.11642	2.4
148.04735	1.4
148.07567	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	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
55.05513	17.0
65.03942	6.1
67.05499	2.3
69.07059	4.9
74.41309	1.0
79.05487	5.5
80.04998	2.5
81.07048	2.1
83.08610	5.3
84.04482	2.2
86.87781	1.2
88.58445	1.1
91.05478	91.7
92.05816	2.4
93.07076	4.9
95.04946	1.1
102.04681	1.1
103.05470	5.4
104.04961	3.6
105.07028	100.0
106.07286	1.6
107.08582	4.3
117.07006	8.4
118.06557	1.3
119.04944	52.4
119.08576	99.4
120.05277	2.4
120.08098	6.3
120.08916	2.5
123.95241	1.0
129.06953	1.6
131.08501	1.5
132.09363	3.5
145.10159	7.5
147.04407	34.5
147.05457	2.8
147.08072	3.4
147.09253	2.6
147.11678	74.0
148.04877	1.4
148.07561	27.3
148.12056	2.6
150.70973	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0598
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02367	1.7
53.03948	9.4
53.18229	1.1
55.01864	5.1
55.05526	1.3
60.53333	1.2
65.03934	12.1
69.03426	1.6
69.07035	2.2
69.83279	1.4
69.83607	2.5
77.03938	13.8
78.04720	1.6
79.05483	14.0
80.05016	3.0
81.03398	2.2
81.07038	4.5
91.05478	75.6
92.05817	1.7
93.03395	4.1
93.07040	83.0
94.07383	2.8
95.04347	1.9
95.04961	35.1
98.23385	2.5
103.05464	79.9
104.05805	3.1
105.04515	16.8
105.07028	15.0
106.04179	2.2
106.07793	1.7
106.42915	1.5
107.04943	3.6
107.08593	12.1
111.04402	2.2
119.08594	3.2
121.02855	15.6
121.03981	5.6
121.06499	100.0
121.10114	13.7
122.06834	2.6
123.08106	1.5
128.54102	1.2
131.04921	5.2
131.06026	3.5
131.08600	1.6
147.04404	1.5
149.02344	36.4
149.05980	50.4
149.07843	6.4
149.09612	52.8
149.13246	4.2
158.89818	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56613	1.7
53.03949	9.4
55.01866	3.5
63.66384	1.5
65.03937	19.2
68.74429	1.5
69.07069	1.8
70.73780	2.0
70.74097	2.2
70.99062	1.6
77.03921	16.6
77.69672	1.8
79.05495	12.4
79.41471	1.4
81.03428	1.6
81.07067	4.1
91.05476	71.6
93.03399	3.7
93.07038	86.6
94.07365	1.9
95.04965	43.0
97.99951	1.6
103.05462	95.6
104.05788	2.2
105.04510	19.8
105.07025	16.7
107.04928	3.4
107.08586	15.3
111.04434	3.5
112.01579	1.7
119.06031	1.6
119.08607	5.0
121.02866	23.9
121.04004	9.9
121.06497	100.0
121.10133	31.7
131.04927	8.0
131.05997	3.9
140.00490	1.5
149.02327	52.9
149.05983	51.4
149.07867	8.5
149.09601	17.6
149.13268	6.4
150.02686	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	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
51.02346	1.6
53.03930	4.3
55.01872	9.7
55.05521	6.8
56.67831	1.5
62.62364	1.6
65.03938	27.2
67.05488	4.8
69.03426	8.2
69.43874	6.2
74.31046	1.5
77.03920	8.2
79.05491	27.0
79.79925	1.3
80.05008	6.2
81.07044	4.6
82.24146	1.3
88.03611	1.6
91.05479	72.0
91.06055	3.4
92.05801	1.6
93.03401	10.8
93.07040	73.4
95.04969	16.9
95.08607	14.1
103.05463	26.4
105.04542	8.4
105.05233	2.3
105.07023	31.2
107.04942	8.6
107.08594	16.9
108.04491	1.3
111.04420	5.8
115.05420	4.5
116.06244	13.4
119.08555	7.8
121.02861	46.0
121.03974	14.5
121.06499	32.0
121.08401	2.0
121.10140	32.7
123.08067	4.0
129.06987	7.7
131.04968	2.9
131.08568	46.5
133.06514	2.0
133.07610	2.5
134.07307	8.6
135.53856	1.4
149.02338	100.0
149.06009	17.7
149.07884	5.8
149.09613	80.8
150.02693	3.0
150.05479	2.0
161.27232	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0963
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
51.61405	1.1
53.03940	3.7
55.01865	3.5
55.05506	4.4
57.07073	1.1
62.75693	1.0
65.03946	12.2
67.05492	2.0
69.03428	3.4
69.07063	3.1
70.11207	2.3
70.11536	2.2
77.03915	3.3
79.05499	25.0
79.65114	1.2
80.05030	6.7
81.03432	1.0
81.07053	4.1
89.03934	1.9
91.05482	45.2
92.05838	2.3
93.03403	3.8
93.07047	55.5
94.07382	1.5
94.22860	1.0
95.04970	9.5
95.08588	2.6
98.23387	2.3
103.05477	19.6
105.04520	4.9
105.06350	2.0
105.07033	32.8
106.07805	3.4
107.04942	4.4
107.08594	21.0
108.04460	1.4
109.06514	4.7
111.04426	2.8
115.05459	4.7
116.06223	12.8
116.20436	1.2
119.06114	1.0
119.08581	7.4
121.02873	20.6
121.03989	6.0
121.05619	1.3
121.06509	22.0
121.08405	1.9
121.10139	42.9
123.08099	3.5
129.06996	3.8
131.04958	6.3
131.08575	20.3
133.06578	1.2
133.07581	3.1
133.10143	1.1
134.07266	2.7
147.07994	1.3
149.02338	46.2
149.06021	10.2
149.07973	6.6
149.09621	100.0
149.13237	10.0
150.10017	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	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03939	1.8
55.01875	1.4
55.05503	3.1
65.03936	4.5
66.42284	0.7
67.05500	0.9
69.03425	3.1
69.07059	2.0
71.00252	1.1
76.17554	0.7
77.03907	1.6
79.05496	16.0
80.01937	0.7
81.07041	2.5
89.03895	0.8
91.05478	39.0
93.07045	32.5
95.04970	4.2
103.05456	8.8
105.04524	1.7
105.07030	32.2
106.07827	2.9
107.04946	1.0
107.08598	12.0
109.06508	3.7
111.04396	0.8
112.32672	0.7
115.05470	4.3
116.06246	13.9
119.06033	0.9
119.08583	6.1
121.02863	7.0
121.03857	1.3
121.06509	16.3
121.10140	37.5
123.08077	4.1
129.06976	5.4
131.04973	1.6
131.08559	18.5
133.06577	1.0
133.07617	3.5
134.07251	2.7
147.07916	1.3
149.02348	14.0
149.05975	3.7
149.09615	100.0
149.13199	4.1
150.09938	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	149.0963
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
52.26458	0.6
53.03938	2.0
55.01666	0.8
55.01875	9.1
55.05496	3.2
65.03937	15.0
67.05506	5.9
69.07057	2.1
71.44820	0.8
77.03916	0.9
79.05046	1.3
79.05492	23.8
81.03415	8.9
81.07058	7.6
90.43457	0.8
91.05475	15.1
93.03392	3.0
93.07044	33.9
95.04972	4.8
95.08609	0.8
103.05454	4.3
105.03393	0.9
105.04497	1.8
105.07025	10.4
106.04209	0.9
107.04935	7.4
107.07918	1.3
107.08591	14.0
108.04510	1.1
109.06483	0.9
111.04430	3.1
116.06222	1.7
121.02859	22.7
121.03966	7.0
121.06506	6.5
121.10136	10.8
129.07031	0.8
131.04901	0.8
131.08565	7.3
132.08115	0.8
149.02341	54.3
149.05963	5.3
149.07085	2.1
149.09612	100.0
149.13231	6.6
150.05481	1.2
150.09979	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03943	2.3
55.01861	1.7
55.05503	5.2
63.85028	0.9
65.03942	28.0
66.04266	1.3
67.05509	17.4
69.07062	9.5
70.08469	2.0
79.05492	28.9
80.05031	3.1
81.03409	1.4
81.07058	47.5
83.08625	1.4
85.29295	1.1
91.05489	13.8
93.03403	7.7
93.07046	52.3
94.07350	1.7
95.04945	4.1
95.08603	7.7
103.05447	1.7
105.04559	2.5
105.05296	2.2
105.07016	3.9
107.04955	23.3
107.08595	34.1
108.04475	4.3
111.04460	8.2
119.06834	1.6
119.08613	1.3
120.05716	2.9
120.08107	2.1
121.02866	50.1
121.03978	15.8
121.06483	2.0
121.07666	1.6
121.08443	4.1
121.10148	10.1
122.03164	1.1
122.06042	2.1
126.05490	1.5
131.08565	1.8
132.08089	3.3
149.02341	100.0
149.05965	1.9
149.07922	21.7
149.09621	16.6
149.13252	32.4
150.02679	4.5
150.03735	1.7
150.05525	2.0
150.09146	7.3
167.03476	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
50.56219	1.8
53.77966	1.8
55.01853	2.1
55.05513	11.6
57.17289	1.9
65.03944	32.7
67.05505	38.4
69.07069	16.6
77.03907	2.8
79.05045	3.3
79.05492	52.1
79.05946	3.3
80.04993	4.3
81.03405	3.3
81.07056	83.4
83.08622	5.3
91.05482	24.3
93.03417	10.3
93.07045	82.6
95.04971	7.8
95.08622	15.3
105.04526	3.1
105.07021	6.1
107.04948	38.7
107.08593	59.2
108.04516	2.9
111.04449	4.5
115.76089	1.8
120.05717	6.8
121.02866	42.0
121.03978	13.7
121.08444	4.8
121.10121	15.1
122.03118	2.3
132.08083	2.6
135.39281	2.1
149.02342	100.0
149.06010	4.0
149.07965	17.2
149.09610	24.9
149.13254	58.2
150.02650	3.2
150.05548	2.6
150.09146	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	149.1326
Annotation	Ectocarpen
Peak:m/z	Relative Intensity
53.03948	2.4
55.01864	1.2
55.05510	7.5
57.07069	3.1
65.03939	24.4
66.20483	1.3
67.05506	3.8
68.13703	1.1
69.07065	14.2
77.03905	2.5
79.05499	16.3
80.05001	2.5
81.07057	13.5
83.08630	1.4
91.05484	23.1
92.45966	1.1
93.03387	6.2
93.07044	65.8
94.07350	1.3
95.04966	7.2
95.08610	3.4
103.05444	6.0
105.04503	3.2
105.05309	2.2
105.07020	22.9
106.04170	1.2
106.06551	1.2
107.04942	1.7
107.08595	70.7
108.08895	1.6
108.92142	1.1
109.06511	3.1
111.04436	4.6
119.06082	2.3
119.08567	7.6
121.02860	40.1
121.03979	14.4
121.06506	8.9
121.08413	3.6
121.10143	70.2
122.03194	2.0
122.10488	2.3
123.08069	3.2
132.08118	1.9
133.07596	3.4
134.10953	1.2
149.02338	100.0
149.06020	7.4
149.07938	13.6
149.09610	3.9
149.10672	1.4
149.13252	37.2
150.02666	4.4
150.05475	1.4
150.09102	5.0
167.03381	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03943	3.0
53.20221	1.2
55.05513	13.5
57.07069	1.8
61.84686	1.3
65.03941	20.0
67.05162	2.5
67.05506	36.7
69.07068	20.4
77.03928	3.3
79.05492	66.1
80.05001	1.9
81.03419	2.9
81.07056	97.9
82.07361	1.3
83.08610	5.0
84.57544	1.5
91.05475	27.9
91.47909	1.2
91.49078	1.2
93.03413	5.4
93.07043	100.0
94.07377	2.7
95.04973	7.9
95.08609	16.6
98.22602	2.5
103.05472	4.0
105.04512	4.4
105.06988	7.1
106.04142	1.8
107.04957	37.8
107.08588	80.8
108.04495	1.5
109.06487	1.7
111.04439	3.9
119.04980	1.6
120.05698	5.0
120.08125	1.6
121.02863	23.1
121.03973	8.2
121.06503	4.7
121.08414	2.1
121.10139	23.6
149.02341	61.8
149.05945	3.9
149.07980	12.4
149.09616	23.7
149.13252	79.2
150.09108	3.5
150.13643	1.5
155.87590	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpen
Peak:m/z	Relative Intensity
52.80837	1.0
53.03942	1.8
55.01884	1.1
55.05515	9.9
57.07081	1.8
59.36102	1.0
65.03942	29.4
67.05495	5.2
69.07069	11.6
69.14442	7.4
79.05044	2.4
79.05492	35.4
80.05016	4.4
81.07057	25.1
83.08614	1.9
91.05477	20.6
93.03383	7.1
93.07045	81.5
94.07392	2.9
95.04981	7.1
95.08600	4.7
103.05459	2.5
105.04509	3.7
105.05283	2.4
105.07021	8.9
107.04903	1.9
107.08593	55.1
108.04471	2.9
108.08917	2.3
109.06512	2.4
111.04456	5.7
119.06062	2.2
119.06850	2.5
119.08607	1.4
120.08099	1.9
121.02866	41.1
121.03970	13.9
121.06503	3.0
121.08431	5.5
121.10144	20.0
122.06035	1.3
126.05545	2.6
131.05000	1.6
132.08064	4.0
142.28075	1.2
149.02341	100.0
149.05968	2.4
149.06947	2.2
149.07997	19.3
149.09624	5.0
149.13263	29.1
150.02644	2.8
150.03792	1.6
150.05499	2.5
150.09135	6.8
153.58723	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03939	2.2
55.05511	9.4
55.62974	2.2
59.80529	1.8
65.03938	27.1
67.05505	29.2
69.07067	18.9
77.03924	2.3
79.05043	3.1
79.05494	49.4
81.03452	2.1
81.07055	74.6
81.76918	1.9
83.08604	3.4
91.05486	16.9
93.03399	7.4
93.07045	85.5
95.04960	7.7
95.08613	14.9
98.23544	4.4
105.04541	4.2
105.07044	6.6
107.04971	6.0
107.08592	69.3
108.04453	3.0
111.04435	7.8
120.08098	2.3
121.02872	43.7
121.03979	14.1
121.10155	23.9
122.06005	2.2
132.08057	2.6
149.02342	100.0
149.05965	4.0
149.07961	11.4
149.09618	8.0
149.13255	60.9
150.02690	4.5
150.09123	9.0
153.48299	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	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
52.70158	1.9
53.03952	2.2
55.05517	13.8
59.89795	1.7
65.03944	24.7
67.05504	40.2
69.07071	23.0
71.00637	1.8
79.05495	65.4
80.05000	2.9
81.03413	3.3
81.07057	99.7
83.08615	7.2
91.05472	24.5
92.06330	1.7
93.03410	8.2
93.07047	100.0
94.07376	2.9
95.04988	9.0
95.08602	19.0
95.35596	1.8
105.04534	3.8
105.07046	10.5
107.04957	30.5
107.08600	90.3
108.04494	4.1
108.08916	2.4
111.04445	6.7
117.05754	1.9
119.04971	2.9
119.06010	2.3
120.05721	3.5
121.02862	39.9
121.03983	13.9
121.06537	2.2
121.10132	27.7
122.06051	2.4
126.05486	2.6
131.08603	1.9
132.08073	5.4
138.92728	1.6
147.11690	2.3
149.02345	92.6
149.07921	23.7
149.09618	40.9
149.10667	1.6
149.13251	86.8
150.02676	3.7
150.05466	3.4
150.09128	8.6
150.13643	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03934	2.5
54.20138	2.0
54.28896	1.9
55.05510	11.3
58.35769	2.0
62.86695	1.9
65.03941	28.5
67.05507	31.5
69.07066	17.1
69.34302	2.1
71.44946	2.5
79.05492	47.1
81.07056	86.0
83.08607	5.8
91.05502	18.6
93.03409	7.0
93.07046	82.4
95.04956	6.8
95.08613	13.3
105.04527	3.2
105.07024	7.3
107.04939	2.5
107.08591	64.1
108.04469	7.1
109.06579	2.1
111.04437	5.1
121.02865	42.8
121.03978	19.9
121.10147	22.6
132.08124	2.2
149.02341	100.0
149.03552	4.8
149.07014	3.7
149.08038	3.4
149.09636	9.7
149.13257	73.9
150.02679	6.2
150.09142	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	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
55.05504	14.0
57.40862	2.4
65.03943	37.8
66.75362	2.2
67.05161	2.7
67.05504	39.0
69.07063	18.7
70.18817	4.3
70.19137	2.3
71.77820	2.2
73.76767	2.0
79.05488	59.4
81.03408	4.6
81.07056	89.9
82.54951	2.3
83.08608	3.5
91.05486	25.8
93.03391	8.1
93.07043	99.2
95.04958	9.0
95.08597	16.7
105.04523	2.5
105.05311	2.8
105.07016	6.3
107.04960	24.8
107.08588	76.5
108.04492	4.0
111.04440	7.9
111.55971	2.4
119.08601	2.6
120.05693	5.1
121.02858	46.2
121.03967	16.5
121.06495	5.5
121.07674	2.8
121.08459	2.6
121.10129	22.5
132.08084	2.2
149.02335	100.0
149.07933	7.5
149.09610	30.1
149.13254	76.7
149.14445	4.1
150.02687	2.8
150.05460	3.4
150.09084	5.5
154.80191	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	151.0391
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
51.02374	1.5
53.00291	0.5
53.03945	3.4
54.54044	0.4
55.01859	0.7
64.28653	0.4
65.03947	2.4
67.05504	15.9
71.27887	0.7
77.03925	10.3
79.05493	46.8
80.05816	0.8
81.03396	0.9
83.04980	1.1
95.04968	41.5
96.05309	0.8
100.12217	0.3
105.03397	12.2
105.04497	7.6
105.07080	0.5
107.04952	4.6
108.78320	0.4
123.04432	8.1
124.36417	0.4
133.02859	2.5
151.03905	100.0
152.04250	1.4
154.31204	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.039
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
50.01588	0.6
51.02377	1.5
53.00294	0.5
53.03947	3.1
53.71659	0.4
53.96200	0.4
55.01867	0.9
57.27382	0.4
62.71602	0.4
63.02388	0.4
65.03936	3.4
67.05504	19.1
69.17207	2.5
69.17583	0.8
77.03931	9.0
79.05504	3.9
93.07105	0.4
93.81729	0.4
95.04967	40.9
104.79693	0.5
105.03402	7.9
105.04508	6.1
107.04948	4.7
113.38636	0.4
123.04434	6.6
133.02802	2.0
151.03903	100.0
152.04254	1.9
163.45909	0.4
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
50.01593	0.6
51.02378	1.6
53.03944	5.9
55.01864	1.0
55.05507	0.5
65.03946	3.1
65.36498	0.5
67.05503	19.1
69.43813	1.4
70.84669	0.4
77.03928	12.6
77.07531	0.3
79.05489	12.1
81.03421	1.0
81.07039	1.2
83.04970	1.7
91.05468	0.6
93.07040	0.9
95.04965	100.0
95.08620	0.6
96.05310	1.4
105.03410	6.8
105.04508	11.9
105.07009	0.7
107.04948	2.1
123.04433	14.3
133.02859	1.4
133.03900	0.5
133.06505	0.7
142.63678	0.4
151.03900	76.9
151.11220	0.6
152.04205	1.4
167.03363	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.3
52.39550	0.5
53.03946	4.4
54.34142	0.5
55.01878	0.8
55.05513	0.5
55.07104	0.5
65.03937	2.6
65.33830	0.6
67.05161	0.8
67.05503	16.3
71.03584	0.6
77.03930	13.3
79.05492	51.2
81.03421	1.1
83.04982	1.4
85.75936	0.6
89.02593	0.5
95.04966	44.8
101.91937	0.6
105.03400	13.1
105.04494	8.5
107.04948	4.2
123.04420	7.2
133.02847	2.6
147.80472	0.5
151.03902	100.0
152.04231	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.4
53.03942	1.2
55.01868	0.8
55.05509	5.8
57.03437	0.6
57.07064	0.3
59.05003	0.3
65.03938	1.1
67.05503	8.3
69.03423	0.5
69.07074	0.7
70.83535	0.4
74.29208	0.3
77.03932	2.3
79.05491	6.0
81.03416	11.8
81.07053	6.1
83.04978	100.0
83.66299	0.2
84.05311	0.8
84.86710	0.2
91.05481	3.0
93.07040	3.1
95.04963	14.2
95.08590	3.7
103.05452	0.7
105.03385	2.2
105.04498	2.1
105.07027	8.7
107.04951	2.4
107.08584	2.7
109.06525	2.1
109.10160	1.5
119.04941	0.5
121.06495	2.6
123.04430	2.9
123.08074	1.7
123.11706	1.7
131.08569	0.3
133.02850	0.5
133.06491	4.7
133.10114	1.3
151.03905	23.4
151.07524	6.8
151.08713	0.4
151.11151	3.3
152.04225	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	2-Phenylpropionic acid
Peak:m/z	Relative Intensity
51.02369	0.4
53.03942	1.2
55.01868	0.8
55.05509	5.8
57.03437	0.6
57.07064	0.3
59.05003	0.3
65.03938	1.1
67.05503	8.3
69.03423	0.5
69.07074	0.7
70.83535	0.4
74.29208	0.3
77.03932	2.3
79.05491	6.0
81.03416	11.8
81.07053	6.1
83.04978	100.0
83.66299	0.2
84.05311	0.8
84.86710	0.2
91.05481	3.0
93.07040	3.1
95.04963	14.2
95.08590	3.7
103.05452	0.7
105.03385	2.2
105.04498	2.1
105.07027	8.7
107.04951	2.4
107.08584	2.7
109.06525	2.1
109.10160	1.5
119.04941	0.5
121.06495	2.6
123.04430	2.9
123.08074	1.7
123.11706	1.7
131.08569	0.3
133.02850	0.5
133.06491	4.7
133.10114	1.3
151.03905	23.4
151.07524	6.8
151.08713	0.4
151.11151	3.3
152.04225	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	2-Phenylethyl formate
Peak:m/z	Relative Intensity
51.02381	0.9
52.75593	0.4
53.03944	3.0
53.90754	0.3
55.01869	7.2
55.05508	7.1
57.03432	0.4
57.07086	0.4
59.05005	0.8
65.03932	2.8
66.44578	0.4
67.05502	29.7
68.05802	0.7
69.03425	5.4
69.07079	0.9
71.01366	2.3
77.03924	5.1
79.05489	23.5
80.05828	0.5
81.03413	4.3
81.07052	100.0
82.07387	0.9
83.04976	24.7
91.05476	9.2
93.07040	9.5
95.01352	0.7
95.04964	27.5
95.08600	24.2
97.02882	0.6
97.06529	0.7
103.05456	3.4
105.03407	5.0
105.04520	4.5
105.07024	27.7
107.04962	4.0
107.08591	5.5
108.05745	3.9
109.02899	0.6
109.06515	14.7
109.10133	2.7
119.04925	1.6
121.06503	3.0
121.10132	0.9
123.04434	5.4
123.08064	19.1
123.11667	2.7
131.08577	0.8
132.86322	0.4
133.02853	1.2
133.06483	6.4
133.10123	5.8
135.53566	0.4
136.05190	0.7
151.03897	56.3
151.07527	30.5
151.11157	8.7
152.04262	1.3
152.07913	0.6
153.04137	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	2-Phenylpropionic acid
Peak:m/z	Relative Intensity
50.83623	0.2
51.02386	0.3
53.03941	1.6
55.01870	0.7
55.05510	6.6
57.03436	0.8
57.07069	1.3
65.03941	1.3
67.05502	9.8
67.05865	0.5
69.03447	0.4
69.07051	1.3
69.28802	1.3
71.04984	0.3
77.03927	2.6
79.05492	7.1
81.03415	12.6
81.06557	0.5
81.07056	15.3
83.04978	100.0
84.05326	0.9
86.98242	0.3
91.05474	3.2
93.07041	3.9
95.04964	14.6
95.08600	6.0
103.05487	1.0
104.12912	0.2
105.03395	1.6
105.04516	2.1
105.07024	8.7
107.04952	2.6
107.08600	5.2
109.06510	3.0
109.10145	1.8
116.03170	0.2
119.04949	0.6
121.06495	2.5
121.10155	0.3
123.04427	3.4
123.08070	2.7
123.11706	5.3
133.02838	0.4
133.06473	3.8
133.10129	1.8
151.03900	23.6
151.07530	8.3
151.11174	4.3
168.81512	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
51.02386	0.4
53.00285	0.4
53.03938	1.2
55.01863	1.0
55.05505	2.1
57.03445	0.5
57.07071	1.4
59.04989	1.0
65.03937	1.6
67.05499	10.4
67.65695	0.4
68.29713	0.5
69.03417	1.2
69.07071	2.4
70.08338	0.4
71.44312	0.4
77.03931	1.3
79.05490	6.2
80.79404	0.4
81.03404	0.8
81.07054	14.4
83.04968	2.9
91.05473	6.4
93.07045	5.1
94.04187	0.5
95.04965	16.5
95.08594	5.7
96.05242	0.6
97.06519	0.7
105.03384	1.5
105.04510	1.8
105.07028	9.4
107.04945	1.5
107.08590	6.5
108.02061	0.4
108.05750	0.7
109.06516	11.6
109.10153	9.9
119.04944	1.1
121.06532	0.5
121.10135	2.3
123.04440	2.9
123.08059	4.5
123.11704	4.2
131.08635	0.5
133.06548	0.5
133.10123	4.9
136.08839	1.9
150.09154	0.8
151.03905	19.3
151.04993	1.4
151.07681	2.6
151.11172	100.0
152.07114	0.6
152.11580	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	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
51.41588	4.3
55.05503	11.2
56.29156	4.8
56.66273	4.0
57.03443	9.8
57.16797	3.9
60.24709	4.1
67.05511	56.1
69.03429	13.1
69.47656	10.7
69.48042	10.4
79.05499	35.0
81.07067	51.4
83.04978	20.2
89.04189	4.4
89.06026	8.7
91.05479	27.8
93.07032	42.9
93.80691	4.2
95.04962	15.0
95.08602	14.9
102.85441	4.2
105.07034	56.8
107.08604	68.3
109.06506	15.2
109.10159	28.9
123.08113	7.6
123.11694	8.2
133.10143	49.0
151.08556	7.9
151.09761	9.4
151.11174	100.0
152.07043	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	151.1118
Annotation	(-)-Carvone
Peak:m/z	Relative Intensity
53.03940	4.2
55.01885	2.7
55.05514	100.0
57.03435	1.2
57.07080	3.3
59.05002	2.5
65.03940	3.7
66.70165	0.7
67.05508	36.5
69.03435	3.0
69.07067	3.3
69.17110	4.3
70.14173	0.8
71.04989	1.0
71.08652	0.9
77.03938	5.6
79.05499	17.2
81.03429	4.9
81.07060	48.6
83.04984	31.5
83.08625	1.3
91.05484	11.3
93.07059	10.3
95.04971	35.2
95.08613	21.8
97.06540	15.9
97.07180	0.7
98.22739	1.8
103.05462	1.5
105.03419	5.0
105.04500	4.3
105.07037	19.2
107.04973	4.6
107.07924	1.4
107.08601	16.3
107.09332	0.8
108.05717	1.1
109.06526	14.5
109.10164	36.7
110.07346	1.0
110.10469	1.1
119.06121	0.9
121.06495	1.9
121.10156	2.6
123.04449	6.9
123.08073	8.1
123.11714	14.7
125.09624	1.2
131.08594	1.1
133.02856	1.9
133.06494	5.8
133.10133	6.4
151.03911	63.3
151.07536	13.5
151.08633	0.6
151.10243	1.0
151.11188	27.7
151.14844	1.9
152.04315	1.7
152.11592	0.8
158.56612	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
55.01859	4.3
55.05511	10.8
57.03423	3.9
57.07069	1.6
58.21923	1.0
58.58833	0.9
59.04973	0.9
65.03915	1.7
67.05502	52.7
69.03430	9.8
69.07056	3.6
71.04977	3.1
79.05489	38.6
79.67928	0.9
81.07053	50.1
83.04980	19.0
84.64661	0.9
85.06548	2.6
89.06027	1.7
91.05476	53.8
93.07037	36.0
95.04961	16.7
95.08602	14.2
97.06507	1.4
105.04503	1.7
105.07024	71.0
106.07362	1.9
107.08588	100.0
108.08929	1.3
109.06514	19.5
109.10145	37.9
119.06055	2.2
123.08073	5.8
123.11703	9.6
131.08539	4.2
133.10118	79.6
134.10526	1.8
142.05865	0.9
151.04001	1.4
151.08635	2.4
151.11172	96.7
151.99170	1.0
152.06982	2.0
152.11525	2.8
160.42384	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
51.85142	1.3
53.03930	2.3
55.01864	4.4
55.05512	8.8
57.03426	5.8
65.03929	2.3
67.05505	56.3
67.05865	3.0
69.03429	10.9
69.07048	5.2
71.04973	3.5
77.03883	1.6
79.05491	42.7
81.03413	2.1
81.07057	56.4
83.04989	19.3
89.06026	2.2
89.59737	1.7
91.05481	57.8
93.07044	42.9
93.84900	1.4
94.07433	1.6
95.04965	16.7
95.08598	12.4
97.06504	1.9
105.04533	2.2
105.07027	73.2
107.08591	91.3
108.08914	2.0
109.06508	16.9
109.10159	37.8
110.06050	1.9
119.06064	1.8
123.05561	1.5
123.08035	7.3
123.11714	9.6
131.08582	2.8
133.10127	77.2
134.10455	2.9
151.08653	3.7
151.11180	100.0
152.03397	2.2
152.07027	3.7
152.11549	3.2
158.98885	1.5
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	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03937	1.5
55.01879	1.0
55.05507	2.4
57.03432	0.8
57.07074	3.0
59.04989	0.5
65.03941	1.5
67.05503	14.0
69.03420	1.6
69.07056	3.1
69.24572	2.4
69.24908	0.5
71.08632	1.0
77.03933	2.1
79.05495	5.9
81.03391	0.6
81.07057	17.3
83.04983	2.1
83.08638	0.6
91.04541	0.4
91.05486	5.3
93.07030	5.6
95.04969	15.1
95.08607	18.0
97.06519	1.1
102.97872	0.5
105.03387	1.3
105.04523	1.9
105.07027	9.2
107.04974	1.0
107.08586	5.4
108.05771	0.6
109.06514	11.4
109.10152	17.9
117.06982	0.4
119.04941	0.6
119.06060	1.2
121.06503	0.9
121.10149	1.5
123.04427	2.7
123.08073	5.4
123.11710	3.8
130.98271	0.4
131.08582	0.5
133.06459	0.6
133.10127	4.3
136.08829	2.2
150.09146	0.5
151.03912	18.8
151.07661	3.2
151.11174	100.0
151.14685	3.4
152.11531	1.7
167.03436	0.4
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
50.01590	0.9
51.02375	1.3
51.47672	0.7
52.59579	0.8
53.03946	5.6
53.04155	1.0
55.01865	4.1
55.05510	84.4
57.03431	1.0
57.07071	2.5
59.05003	2.3
65.03939	5.5
67.05505	40.3
67.05868	2.0
69.03428	4.2
69.07070	3.6
70.18484	2.7
71.04989	1.2
77.03919	6.8
79.05490	19.4
80.05011	0.9
81.03421	10.9
81.07056	57.3
83.04980	94.5
84.05302	1.0
85.63592	0.8
91.05476	10.1
93.07037	13.3
95.04965	43.4
95.08607	18.7
97.06529	12.6
98.23421	1.0
103.05465	1.8
105.03412	7.3
105.04514	7.0
105.06335	1.6
105.07033	20.0
107.04948	7.7
107.08590	13.4
109.06522	16.4
109.08527	0.8
109.10159	27.8
119.04921	1.0
121.06490	3.0
121.10165	2.2
123.04403	5.3
123.08078	9.5
123.11697	11.3
131.08548	1.1
133.02821	3.2
133.06505	6.5
133.10162	6.0
135.04468	1.0
144.58618	0.9
151.03905	100.0
151.07526	19.8
151.11172	25.9
151.14839	2.0
152.04283	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	152.1072
Annotation	Mearsine
Peak:m/z	Relative Intensity
56.96553	1.2
57.03425	1.0
59.64466	0.3
69.61957	0.2
69.96851	1.0
73.01419	0.4
73.02902	0.3
80.05000	0.5
85.02893	0.5
89.72299	0.3
90.43913	0.3
93.05778	4.2
95.90652	0.3
96.51158	0.2
97.02892	1.2
98.97578	1.1
101.00895	0.6
103.02422	0.3
106.06541	0.4
108.08114	58.4
109.08470	0.7
110.03519	2.3
110.97556	0.6
115.02438	1.2
116.02520	0.4
116.98621	0.6
117.03954	0.6
119.01909	1.0
120.01996	0.3
120.08073	0.3
121.08893	0.4
124.07565	0.3
128.04556	0.7
128.98618	0.8
129.03979	0.7
133.03497	0.7
134.09644	0.8
135.03033	3.1
135.05061	0.4
137.02988	0.3
143.01941	0.3
143.75304	0.2
147.05032	0.3
149.03699	0.5
152.05687	18.5
152.06961	1.3
152.10695	100.0
153.04062	3.8
153.11067	2.2
159.14114	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0911
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
51.02369	1.4
53.03938	2.9
55.01878	5.7
55.05292	1.3
55.05516	12.5
57.03432	2.2
65.03932	5.1
67.05502	36.4
69.03430	18.0
69.07069	9.2
69.24592	5.3
69.24986	2.2
77.03918	5.6
79.05492	100.0
80.05828	1.5
81.03412	1.2
81.06628	1.7
81.07062	22.4
83.04983	34.3
91.05479	47.8
91.44269	0.9
92.06287	1.1
92.54372	0.9
93.07042	96.4
94.07391	2.4
95.04967	25.9
95.08621	6.1
97.06521	3.5
105.04510	6.3
105.07025	16.3
107.04958	11.5
107.08591	98.6
108.08934	3.6
109.06512	22.4
109.10141	4.4
111.04419	2.5
111.08080	29.3
112.05217	2.3
115.05476	1.8
117.07014	3.9
119.06049	5.4
123.08063	2.9
125.05976	4.1
125.09620	4.6
135.04414	2.8
135.08052	26.4
153.05466	22.7
153.09106	31.1
153.12668	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.091
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
50.06261	0.9
51.02376	1.1
53.03944	4.2
55.01868	5.9
55.05510	15.4
57.03432	4.2
65.03926	4.2
67.05505	35.2
69.03428	20.9
69.07070	10.7
70.94221	1.0
71.04989	2.4
77.03931	5.7
79.05492	87.9
80.05830	1.4
81.03418	1.2
81.07057	29.0
83.04980	32.1
83.08624	2.0
84.05338	1.0
91.05479	47.4
93.07044	100.0
94.07386	1.5
95.04969	54.3
95.08607	33.6
96.05296	1.5
97.02895	1.3
97.06517	3.7
99.04456	1.3
104.77380	1.0
105.04515	6.5
105.07022	14.6
107.04949	7.6
107.08592	96.9
108.08897	2.2
109.06514	31.8
109.10156	5.7
111.04439	2.6
111.08083	35.8
112.05254	1.1
115.05454	2.1
117.07009	5.7
119.06048	7.0
123.08086	2.6
125.05993	3.3
125.09656	3.1
135.04420	3.8
135.08049	22.3
135.11697	5.8
136.07582	2.1
153.04355	1.6
153.05496	8.8
153.06563	1.8
153.09094	27.9
153.10268	2.0
153.12712	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03951	0.6
54.18501	0.3
55.01874	0.3
55.05506	3.3
55.10222	0.3
57.03435	1.4
57.07073	0.8
59.05005	0.4
65.03944	0.8
67.05502	12.0
68.96319	0.4
69.03422	0.8
69.07065	4.0
69.51810	0.5
69.52197	0.7
70.71004	0.3
70.71439	0.3
70.94252	0.4
70.95874	0.3
71.04995	0.7
79.05492	7.6
81.07055	7.1
83.04969	1.0
83.08603	1.1
91.05476	7.1
93.07041	17.7
95.04960	2.6
95.08602	100.0
96.08945	1.3
97.06515	1.9
98.23386	0.6
105.04520	0.8
105.07013	3.5
107.04932	1.8
107.08591	28.0
108.08886	0.5
109.06503	2.3
109.10149	4.8
111.04454	0.6
111.08075	2.6
116.98634	0.3
117.07010	0.9
119.06076	1.1
119.08585	5.5
120.09368	1.4
123.11695	2.6
125.06003	1.2
125.09579	0.4
130.96324	0.4
135.04401	0.8
135.08051	5.5
135.09038	0.6
135.11688	13.7
147.09241	0.4
148.97394	0.8
153.04427	0.5
153.05473	2.1
153.06520	0.5
153.09108	3.4
153.10213	0.5
153.12737	5.9
154.04869	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03946	0.8
55.01857	1.2
55.05515	4.8
55.69092	0.8
57.03428	2.8
57.07065	1.9
59.05001	1.7
65.03948	1.3
67.05504	13.1
69.03418	1.8
69.07069	13.5
69.40501	2.2
71.04992	2.6
76.95491	0.8
77.03918	1.8
79.05493	16.9
81.06578	1.0
81.07056	18.3
83.04990	6.3
83.08624	2.4
91.05475	10.8
93.03384	1.2
93.07043	73.4
94.07381	1.2
95.04971	7.8
95.08603	61.8
96.08916	1.3
97.06526	13.7
98.23482	1.5
99.08442	0.8
105.04514	2.0
105.07034	3.7
107.04941	2.8
107.08591	100.0
108.08917	1.7
109.06519	3.2
109.10148	17.8
111.04459	1.3
111.08061	1.9
119.06005	0.8
121.06518	1.5
125.05991	4.3
135.08112	1.1
135.11690	44.5
136.12024	2.0
146.14890	0.9
153.05487	6.0
153.06615	0.9
153.09102	2.4
153.12740	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
55.05513	6.2
57.07057	1.6
59.04992	1.2
65.03943	2.0
67.01883	1.0
67.05505	12.8
69.03425	2.1
69.07069	15.1
71.04985	3.0
74.72250	0.9
77.03921	1.8
79.05491	12.9
81.03439	1.1
81.05318	0.9
81.07054	17.9
83.04985	6.6
83.08613	2.4
91.05480	9.6
91.53054	1.0
93.07046	71.4
94.07386	1.4
95.04972	13.6
95.08606	58.9
97.06530	14.5
105.04523	1.8
105.07026	3.0
107.08594	100.0
108.08932	1.1
109.06513	5.2
109.10153	15.7
111.04467	1.2
111.08078	2.5
119.06094	1.2
135.11693	46.6
136.03989	1.1
146.73073	0.9
153.01836	2.0
153.05513	2.6
153.09102	1.5
153.12744	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	cis-2,8-Menthadien-1-ol
Peak:m/z	Relative Intensity
55.05506	9.5
57.03428	2.6
57.07059	2.5
66.17711	1.3
67.05157	2.1
67.05502	24.8
69.03431	3.3
69.07071	38.3
70.95846	5.1
71.05000	2.3
71.95269	20.6
73.52196	1.4
79.05490	24.6
81.07063	28.0
83.04972	4.2
83.08607	4.5
85.06519	2.3
90.54533	1.4
91.05486	4.8
93.00619	1.5
93.07044	39.4
95.04942	2.9
95.08607	14.7
97.06535	18.5
106.44621	1.4
107.08592	40.7
108.04506	1.7
109.10160	26.6
110.03687	1.3
111.05575	1.9
111.08080	8.2
125.06014	1.9
125.09633	1.6
126.06283	2.5
135.08156	2.3
135.11697	100.0
136.03949	7.7
136.12041	2.9
153.01814	6.2
153.05452	3.6
153.07458	6.2
153.09137	3.0
153.10223	4.2
153.12746	91.4
154.05060	2.2
170.85112	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	155.0704
Annotation	3,5-Dimethoxyphenol
Peak:m/z	Relative Intensity
51.02383	0.8
52.28605	0.5
53.03949	5.3
55.01871	4.3
55.05512	5.1
56.96564	0.6
57.03432	1.5
65.03936	5.4
67.05158	1.0
67.05507	14.9
69.03418	2.3
69.07069	1.3
70.95867	6.7
71.04995	1.7
72.93790	8.7
77.03930	5.3
79.05502	5.0
81.03417	2.5
81.07061	13.9
82.07366	0.5
83.04979	3.5
83.08605	1.3
85.06541	1.2
88.96901	1.6
90.94823	2.3
91.05483	3.5
93.03414	1.4
93.07039	5.9
95.04971	78.1
95.08610	4.7
96.05316	1.3
96.08145	0.5
97.02888	3.7
97.06527	3.6
98.98476	1.8
99.04465	2.2
105.04524	11.4
107.01347	0.5
108.02091	0.7
109.06522	23.4
109.10149	4.2
110.03667	2.5
110.07217	1.0
111.04434	4.7
111.08083	9.1
111.98478	3.4
113.06009	2.9
113.10744	0.5
113.96404	3.5
119.08545	0.5
121.04045	0.8
123.04430	39.9
124.04808	0.5
125.02354	24.7
125.05988	8.4
127.07571	2.0
129.99521	1.5
131.96162	1.2
131.97423	1.9
132.95833	9.3
132.96764	0.9
137.05960	3.6
137.09622	2.1
140.04683	100.0
141.05042	1.8
149.97183	2.0
150.96892	14.2
155.03369	1.0
155.07030	17.9
155.10611	2.7
155.97406	0.7
159.98962	0.5
173.98558	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.9
55.05507	8.5
56.02666	1.3
56.96560	3.2
59.04993	2.1
65.03947	2.2
67.05161	2.2
67.05508	37.4
67.92377	1.4
69.07085	1.9
70.95870	3.8
71.04993	100.0
71.45704	1.6
71.95281	1.9
72.05348	1.4
72.93788	11.4
79.05521	1.5
80.29440	1.3
81.07059	24.7
83.04957	2.0
83.08603	1.8
85.06506	1.6
88.96892	2.0
89.00892	1.2
90.94843	2.4
95.08599	2.5
98.98463	5.9
99.04446	1.6
109.10130	6.1
110.28163	1.3
111.04462	2.0
111.98473	3.4
113.96404	4.9
123.11661	1.4
127.07550	1.7
129.99541	2.3
131.96159	2.6
131.97420	2.7
132.95834	9.4
137.07106	2.4
149.97224	6.5
150.00745	2.0
150.96892	14.2
155.05991	1.4
155.07045	5.8
155.08469	4.1
155.15453	1.5
173.98564	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	155.1431
Annotation	Yomogi alcohol A
Peak:m/z	Relative Intensity
53.03939	0.6
54.79728	0.6
54.86595	0.7
55.05514	7.7
55.28373	0.6
57.03411	0.6
57.07072	2.9
57.35254	0.7
59.04997	2.8
67.05164	0.9
67.05509	13.4
69.03453	0.7
69.07069	13.5
70.95850	2.3
71.04993	3.5
72.93794	2.8
73.06558	0.9
74.64840	0.8
79.05489	5.9
81.07054	100.0
82.07370	0.9
83.04972	1.4
83.08605	1.8
85.06536	8.0
93.07059	1.2
95.04978	3.7
95.08604	57.4
96.08920	1.0
97.10159	4.3
98.98482	1.9
99.08086	2.2
105.04522	1.2
109.10163	2.9
111.04412	0.7
111.11712	2.2
111.98482	1.3
113.96402	1.6
130.59920	0.7
131.96213	1.3
132.95879	2.2
137.13240	13.0
149.97226	1.6
150.96883	3.1
155.07045	2.4
155.08479	1.1
155.14299	4.4
165.78113	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0421
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
70.45214	1.5
74.09716	14.0
96.96901	3.2
110.07131	2.2
110.40479	1.2
112.05267	6.2
130.06300	15.5
149.01170	2.0
156.04211	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08076	0.4
55.01875	2.9
56.96577	2.3
57.03439	0.8
57.24300	0.4
61.02940	0.5
69.03459	0.8
70.95896	0.6
73.02940	1.5
74.09711	4.0
75.01038	0.8
78.92165	0.5
82.01453	1.8
82.99832	5.2
84.01558	0.7
85.01438	0.6
85.02934	0.7
87.53458	0.5
93.02088	0.6
96.96909	0.9
97.02882	0.6
98.97532	0.7
100.02482	2.7
101.00878	42.7
101.02540	1.3
102.00946	1.1
103.02440	2.2
104.79460	0.5
105.02091	0.7
110.01293	0.5
110.07175	3.3
110.97648	0.6
111.02049	0.6
112.05267	0.9
115.02415	1.6
117.01960	0.7
119.01919	100.0
120.02012	3.3
124.02442	7.7
130.06305	3.8
131.00172	1.6
131.01900	0.9
132.02032	1.0
132.05025	1.5
132.95813	1.4
133.01691	1.0
133.02507	0.5
133.03482	9.9
134.03598	0.6
137.01901	1.0
137.02948	20.0
142.03499	60.3
143.03593	1.9
149.01213	1.6
150.06108	0.5
150.96861	1.9
151.04497	2.9
156.04190	21.2
156.10190	1.0
160.04546	11.7
165.05054	1.3
174.06068	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91044	0.6
54.02285	0.6
55.01875	100.0
55.05515	2.2
56.96563	3.8
57.03445	3.3
69.03429	0.8
69.07066	1.3
70.06597	1.7
71.43960	0.8
73.02925	6.9
83.01349	6.7
83.04994	2.5
83.06137	0.8
84.08148	0.7
84.99279	3.0
85.02904	1.4
95.04962	0.7
95.08611	0.6
97.02889	0.8
97.06543	1.5
98.97583	13.4
101.00910	1.4
101.02407	2.4
102.00916	3.3
111.00818	3.3
111.04457	2.3
111.05580	4.8
112.07631	2.0
116.97323	1.0
116.98626	10.2
119.01901	3.4
120.02009	10.8
121.01702	2.9
129.01854	1.0
134.02927	1.6
134.99680	5.2
137.02983	1.0
138.03072	2.7
139.02687	0.7
139.40097	0.7
142.03578	1.1
143.03639	7.2
144.03307	1.1
153.00732	0.9
157.01341	11.1
157.04840	1.6
157.06128	1.0
157.07573	0.8
157.09769	1.1
158.09642	1.0
158.15471	1.1
161.04718	2.9
175.02472	1.2
175.06058	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	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.05508	0.4
56.51491	0.4
56.96559	1.5
67.05507	3.0
69.03433	0.6
69.24475	1.8
70.06580	0.4
72.81571	0.3
76.92843	0.5
79.05483	1.5
79.75891	0.4
81.07046	1.5
91.05479	14.3
91.06055	0.8
91.22005	0.4
93.07038	0.6
98.97578	6.0
99.97917	0.9
103.05468	2.2
105.07026	19.0
115.05441	4.2
116.06257	2.4
116.98631	4.8
117.07015	29.4
117.98962	0.9
118.07349	0.6
118.96793	0.6
119.08572	8.7
127.02009	0.4
128.06226	1.2
129.06998	13.5
130.07788	16.0
131.04903	1.1
131.08560	73.2
132.08916	1.4
134.99648	3.7
135.99966	0.5
141.06999	0.4
142.07756	2.0
143.08595	0.9
144.09337	17.4
145.09674	0.6
150.48538	0.4
152.22998	0.4
153.00688	0.6
157.10127	4.1
159.04395	1.1
159.11685	100.0
160.06081	0.4
160.12059	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	160.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58545	0.3
56.96568	0.7
57.51976	0.4
69.69730	1.0
70.45223	0.3
70.97865	0.3
73.16106	0.3
82.01449	1.0
82.99832	6.8
98.97578	2.4
99.97913	1.1
100.02486	4.2
100.97163	1.2
100.98006	1.2
101.00879	48.8
102.00953	0.9
115.97015	0.3
116.98616	1.1
117.98985	0.5
118.03522	6.9
118.43198	0.4
119.01917	100.0
120.02010	0.9
124.02454	9.7
127.47842	0.9
129.14986	0.4
133.14265	0.3
133.98076	0.7
136.04562	2.9
136.48384	1.7
137.01897	0.8
137.02954	17.1
138.91331	0.4
142.03497	73.4
143.03648	1.5
145.48872	2.2
145.98959	0.4
146.48709	0.5
160.04553	58.7
161.03003	3.2
161.04713	2.0
178.05611	12.3
179.04025	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	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	0.3
61.31795	0.1
70.13498	0.2
70.13858	0.3
82.01459	0.2
82.99841	3.3
83.99941	0.3
98.97585	0.6
100.02495	0.4
101.00883	37.8
102.00945	2.7
102.96858	0.4
103.00614	0.6
106.96586	0.2
107.05289	0.2
116.98631	0.4
118.03516	0.2
119.01923	100.0
120.02004	5.7
120.03275	0.2
120.27064	0.2
120.97878	0.2
121.01649	0.6
121.02402	0.4
124.02480	0.4
124.97540	0.3
125.02599	0.7
133.98140	0.2
134.99683	0.3
136.48364	0.5
137.02962	20.1
137.50006	0.2
138.03101	0.8
139.03456	0.1
140.00342	0.1
142.03519	1.2
143.01912	0.4
143.03636	5.4
144.03252	0.6
145.48909	0.5
146.48759	0.3
149.00870	0.2
160.04584	0.5
161.02965	6.2
161.04671	3.9
162.03134	0.2
162.04224	0.8
176.03951	0.2
179.04019	6.8
179.05693	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02064	0.4
51.02372	0.5
53.03937	0.9
55.01872	3.7
56.28980	0.4
66.04723	0.4
69.64655	1.2
74.39782	0.3
77.03921	2.5
79.05492	18.2
80.51747	0.4
85.02885	0.8
89.03912	0.8
90.04701	4.5
91.05473	2.6
92.02620	1.0
93.27647	0.4
94.04208	0.4
95.04980	4.4
98.22762	0.8
103.05469	21.7
105.04551	1.8
105.07030	100.0
106.07367	1.6
107.04977	0.5
115.05457	27.6
118.04160	17.9
119.08599	1.0
131.04897	4.0
132.05745	0.6
133.06491	58.6
133.10135	1.2
134.06818	0.8
143.04990	0.5
143.06041	7.8
161.05980	15.6
161.07292	1.0
161.09540	0.8
161.13228	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02064	0.4
51.02372	0.5
53.03937	0.9
55.01872	3.7
56.28980	0.4
66.04723	0.4
69.64655	1.2
74.39782	0.3
77.03921	2.5
79.05492	18.2
80.51747	0.4
85.02885	0.8
89.03912	0.8
90.04701	4.5
91.05473	2.6
92.02620	1.0
93.27647	0.4
94.04208	0.4
95.04980	4.4
98.22762	0.8
103.05469	21.7
105.04551	1.8
105.07030	100.0
106.07367	1.6
107.04977	0.5
115.05457	27.6
118.04160	17.9
119.08599	1.0
131.04897	4.0
132.05745	0.6
133.06491	58.6
133.10135	1.2
134.06818	0.8
143.04990	0.5
143.06041	7.8
161.05980	15.6
161.07292	1.0
161.09540	0.8
161.13228	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03957	0.3
55.01875	0.3
55.05511	6.5
67.05499	0.3
68.86333	0.2
69.03425	0.3
69.07068	2.2
77.03917	0.5
79.05492	3.5
79.19388	0.2
79.93278	0.3
81.07052	0.6
91.05478	6.8
93.07059	1.3
95.04971	0.7
95.29034	0.2
103.05469	2.4
104.06255	0.6
105.04537	0.5
105.07028	19.9
106.07352	0.3
107.08612	0.7
115.05447	1.7
117.07021	2.1
118.04140	0.7
119.08576	100.0
120.08886	1.6
121.10140	2.5
131.04893	0.3
131.08560	2.0
132.09363	0.3
133.06500	2.9
133.10123	15.1
143.06053	0.4
145.10020	0.4
146.03592	0.4
146.07231	0.4
146.10878	0.8
159.11662	1.0
161.05977	7.8
161.07205	0.3
161.09605	1.9
161.13252	20.4
162.06361	0.3
162.13608	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03936	0.9
55.01877	0.5
57.07093	0.7
63.02391	1.5
69.03428	0.7
69.07066	0.9
69.61721	0.5
70.40859	1.1
77.03929	1.6
79.05498	11.8
81.07037	1.1
89.03918	62.8
90.04277	0.9
91.05476	2.7
93.07044	2.9
95.04980	3.8
103.05463	10.3
105.04507	1.2
105.07040	2.1
106.06590	0.9
107.04958	15.1
107.07965	0.7
107.08607	4.2
117.03379	60.9
117.07026	2.0
119.04991	0.6
119.08606	1.0
121.06480	0.6
121.10131	2.8
130.06517	1.1
131.04927	11.3
132.08070	1.7
135.04414	97.2
135.11671	1.4
136.04726	1.3
145.02849	48.0
145.03874	2.2
145.06497	1.2
145.10147	2.6
146.03177	1.2
163.03900	100.0
163.07492	5.2
163.11127	5.3
163.12277	1.2
163.14742	0.8
164.04298	1.3
164.07085	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.7
62.04205	0.7
63.02373	1.4
69.53076	1.0
69.53461	1.5
77.03936	2.9
79.05495	10.8
81.21106	0.6
89.03922	67.2
90.04257	1.1
90.39533	0.6
91.05426	0.6
92.95168	0.6
95.04970	3.5
98.23436	1.1
103.05460	1.6
105.04505	1.5
107.04960	13.4
107.57239	0.6
117.03385	60.8
118.03713	1.0
131.04912	1.4
135.04419	100.0
136.04750	1.9
138.74426	0.6
145.02858	47.6
145.03903	2.3
146.03250	0.9
160.20676	0.7
163.03908	91.3
164.04233	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
63.02391	1.5
68.04997	0.7
69.03432	0.7
69.65556	2.1
70.27741	0.5
77.03928	2.6
79.05495	12.9
85.02910	1.5
87.56773	0.6
89.03920	70.3
90.04249	0.8
91.05495	1.0
95.04974	3.6
95.11858	0.6
103.05467	22.0
105.04511	1.9
107.04955	16.4
117.03378	62.4
121.10128	0.8
131.04930	27.8
132.08054	0.8
135.04414	100.0
136.04742	1.9
145.02856	48.1
145.03925	2.7
146.03178	1.1
159.95909	0.5
163.03906	98.1
163.07556	6.3
163.12239	1.0
164.04253	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03952	1.2
56.74289	0.6
63.02375	1.5
70.68822	0.7
70.69152	0.8
75.69092	0.6
77.03934	1.3
79.05500	8.6
85.02905	0.8
89.03918	60.4
90.04225	0.7
91.05498	1.5
95.04998	3.2
103.05470	25.2
105.04505	1.6
105.63789	0.7
106.64353	0.6
107.04951	13.9
107.08611	0.8
115.45311	0.6
117.03378	62.1
121.10005	0.6
130.06458	0.7
131.04926	36.8
135.04416	99.7
136.04720	1.6
145.02849	48.8
145.03877	2.0
146.03143	1.3
163.03905	100.0
163.07533	19.9
163.12335	1.6
164.04240	2.5
168.65092	0.6
173.07063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03925	0.9
55.01874	0.6
59.23052	0.4
63.02387	1.4
64.10075	0.4
69.07066	1.7
71.47669	0.4
77.03928	2.7
79.05491	10.4
81.07056	0.6
81.22282	0.4
85.02890	0.7
89.03915	66.9
90.04265	0.6
91.05463	1.9
93.07054	1.8
95.04977	3.3
95.08589	0.7
97.02901	0.4
103.05460	3.3
105.04501	1.2
105.07030	0.8
106.25607	0.4
107.04955	14.4
107.08588	3.6
117.03377	64.5
117.07045	0.9
118.03777	0.9
121.06519	0.5
121.10120	1.5
130.06552	0.5
131.04924	4.4
132.08115	0.6
135.04410	99.3
135.08023	1.1
135.11696	0.8
136.04752	1.3
138.31892	0.4
145.02846	48.0
145.03842	1.9
146.03165	0.8
163.03897	100.0
163.07516	2.4
163.11105	0.8
163.12344	0.7
163.14836	1.2
164.04277	1.9
164.06946	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02377	0.8
53.03946	1.1
53.86290	0.5
53.93271	0.5
55.05494	0.9
57.07069	0.8
69.03422	0.8
69.07063	1.0
69.15458	1.2
69.15866	2.5
75.12278	0.6
76.55769	0.5
77.03936	1.8
79.05495	6.6
81.07054	1.7
84.08149	0.8
85.02901	0.6
89.03916	32.3
89.06046	1.4
91.05483	1.9
93.07046	2.5
95.04971	3.7
95.08614	1.1
103.05467	72.5
104.05795	1.1
105.03387	0.7
105.04512	0.6
105.07037	1.9
106.06541	1.6
107.04948	10.4
107.08588	5.4
117.03378	28.4
117.05738	1.0
117.07036	0.6
119.08610	0.6
120.08078	0.5
121.06478	0.7
121.10165	2.7
130.06552	3.1
131.04926	100.0
132.05252	1.1
132.08105	3.8
135.04413	47.9
135.08072	1.3
135.11674	1.4
136.04779	0.8
138.08801	0.6
141.00662	0.6
141.37238	0.6
145.01688	1.3
145.02850	23.8
145.03876	1.1
145.10152	0.7
146.03242	0.6
148.05276	0.7
163.03905	54.2
163.07538	45.3
163.11140	2.8
163.12311	4.8
163.14763	3.4
164.04199	1.0
164.06917	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	163.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
53.03946	1.1
53.86290	0.5
53.93271	0.5
55.05494	0.9
57.07069	0.8
69.03422	0.8
69.07063	1.0
69.15458	1.2
69.15866	2.5
75.12278	0.6
76.55769	0.5
77.03936	1.8
79.05495	6.6
81.07054	1.7
84.08149	0.8
85.02901	0.6
89.03916	32.3
89.06046	1.4
91.05483	1.9
93.07046	2.5
95.04971	3.7
95.08614	1.1
103.05467	72.5
104.05795	1.1
105.03387	0.7
105.04512	0.6
105.07037	1.9
106.06541	1.6
107.04948	10.4
107.08588	5.4
117.03378	28.4
117.05738	1.0
117.07036	0.6
119.08610	0.6
120.08078	0.5
121.06478	0.7
121.10165	2.7
130.06552	3.1
131.04926	100.0
132.05252	1.1
132.08105	3.8
135.04413	47.9
135.08072	1.3
135.11674	1.4
136.04779	0.8
138.08801	0.6
141.00662	0.6
141.37238	0.6
145.01688	1.3
145.02850	23.8
145.03876	1.1
145.10152	0.7
146.03242	0.6
148.05276	0.7
163.03905	54.2
163.07538	45.3
163.11140	2.8
163.12311	4.8
163.14763	3.4
164.04199	1.0
164.06917	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	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02372	1.5
53.03944	3.9
55.01873	23.2
55.05512	11.8
57.03431	7.4
57.07064	2.5
57.60653	1.4
65.03933	1.7
67.05507	28.7
69.03435	8.4
69.07074	11.0
69.42857	4.9
69.43222	2.7
71.04982	1.9
77.03924	4.0
79.05491	71.1
81.03419	8.4
81.07059	29.0
83.04974	7.1
85.02895	1.8
89.03912	20.0
89.06018	1.8
91.05478	38.8
93.07041	83.8
94.07347	2.0
95.04964	22.5
95.08601	29.6
97.06515	2.4
103.05467	26.1
105.03412	3.4
105.04514	6.2
105.07028	41.9
106.06529	4.3
107.04956	32.7
107.08592	60.3
109.06504	4.5
115.05450	4.1
116.06252	3.1
117.03381	17.9
117.05718	3.6
117.07015	51.9
119.08574	26.9
120.08086	1.9
121.06503	22.6
121.10133	17.2
128.06192	2.5
129.06981	1.8
130.06537	9.2
130.07782	12.9
131.04921	19.5
132.08104	11.5
133.10110	4.5
134.07254	2.1
135.04420	36.4
135.08032	10.8
135.11693	40.8
143.08549	4.5
145.02861	18.0
145.03928	2.6
145.10124	72.0
146.10429	2.6
163.03899	49.6
163.07552	8.8
163.11168	100.0
163.12296	8.0
163.14828	2.9
164.07060	4.5
164.11482	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
70.04037	1.0
70.06987	0.5
82.01431	1.2
82.99829	7.3
98.23496	0.5
100.02475	0.8
101.00877	60.4
102.00980	1.4
111.00442	0.6
119.01915	100.0
120.01980	2.6
122.04710	0.4
124.02449	13.0
124.03336	0.9
137.02956	14.9
142.03493	96.2
143.03583	2.5
160.04552	15.1
161.95482	0.5
165.05113	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
65.53246	0.6
70.68098	1.0
73.29221	0.5
82.01431	1.0
82.99839	6.1
85.52328	0.6
91.05481	1.9
93.07050	3.8
100.02522	0.9
101.00882	61.9
102.00976	1.3
105.07009	0.8
111.00480	0.8
118.87648	0.6
119.01924	100.0
119.08572	1.3
120.02023	1.9
124.02455	14.7
125.02567	0.6
137.02962	14.1
142.03500	96.7
143.03630	2.3
160.04549	17.6
161.04649	0.7
165.05260	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
50.01578	0.6
51.02385	1.3
51.97072	0.5
53.00328	0.5
53.03942	2.9
55.01875	0.6
65.03934	1.2
66.04726	4.8
69.17225	2.2
72.65144	0.5
77.03920	8.1
78.04720	0.6
79.05489	14.4
81.03405	0.7
81.07052	3.9
91.05474	6.4
93.07041	0.8
94.04182	6.2
95.04977	9.1
105.03400	10.0
105.04492	4.5
107.04958	1.4
109.06513	9.4
121.02888	2.6
121.06539	1.0
122.03651	6.4
133.02858	9.2
133.03859	0.9
135.04428	5.0
137.05983	13.2
165.05472	100.0
166.05823	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	165.0549
Annotation	Methyl benzoylformate
Peak:m/z	Relative Intensity
51.02373	1.6
52.71819	0.5
53.03951	4.2
55.01875	1.2
55.96769	0.4
59.01354	0.5
65.03934	1.0
66.04725	4.3
66.39966	0.4
67.05499	1.0
70.72257	0.7
77.03932	9.3
78.04712	0.6
79.05497	16.0
81.03425	0.9
81.07064	4.3
91.05481	20.6
93.07047	5.4
94.04188	5.9
95.04970	14.7
101.00862	0.9
105.02674	0.9
105.03400	16.7
105.04491	7.4
105.07021	1.3
107.04952	1.7
109.06517	9.3
119.01907	2.2
119.04929	0.7
121.02868	1.9
121.06510	5.3
122.03648	6.9
123.04422	1.4
124.02414	0.6
133.02859	16.3
133.03862	0.9
135.04411	5.4
137.05977	13.2
142.03511	2.1
147.04448	0.7
159.95091	0.4
165.05478	100.0
166.05852	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	Methyl benzoylformate
Peak:m/z	Relative Intensity
51.02372	1.1
53.00302	0.5
53.03948	4.3
55.01863	0.9
65.03943	1.1
66.04724	4.8
67.05500	0.4
69.65222	1.4
69.65569	0.5
77.03926	9.2
79.05493	12.1
81.07060	3.6
86.76770	0.4
91.05481	19.9
93.07042	5.5
94.04189	5.9
95.04348	0.4
95.04967	12.9
105.03397	15.6
105.04484	5.9
107.04944	1.0
109.06522	7.8
119.01876	0.7
119.38482	0.5
121.02879	1.7
121.06512	6.5
122.03639	6.9
123.04440	1.2
133.02852	17.3
133.03853	1.0
135.04404	3.9
137.05983	13.6
142.03452	0.7
143.79617	0.5
156.65392	0.4
165.05476	100.0
166.05807	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Methyl p-formylbenzoate
Peak:m/z	Relative Intensity
51.02377	1.1
53.00319	0.6
53.03951	2.9
55.01865	0.9
65.03942	1.7
66.04725	4.3
67.05495	0.9
67.10880	0.3
70.79975	0.4
77.03933	6.6
78.04720	0.9
79.05494	14.8
81.03437	0.5
81.07056	5.3
91.05484	6.8
94.04185	7.6
95.04967	9.1
95.08604	0.3
100.32022	0.3
101.00867	1.5
105.03399	7.9
105.04480	3.7
107.04957	2.9
109.05753	0.6
109.06512	10.0
109.10149	0.8
110.14869	0.3
119.01926	2.8
119.04920	0.7
119.08554	0.4
121.02893	1.5
122.03638	6.0
124.02390	0.6
133.02858	7.2
133.03873	0.5
135.04414	7.5
137.05974	12.2
137.09639	0.4
142.03508	2.3
147.04414	1.1
149.02335	5.7
149.03432	0.6
150.03159	2.0
160.04503	0.5
160.43550	0.3
165.05475	100.0
166.05804	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	2-Phenylbutyric acid
Peak:m/z	Relative Intensity
51.02364	1.2
53.03933	3.6
53.56565	0.8
55.01869	3.1
55.05505	5.7
56.49974	0.9
57.65424	0.8
59.08640	0.8
65.03934	3.3
66.04697	1.2
67.05502	13.0
69.03431	2.1
69.17441	5.2
71.04984	1.3
74.88506	0.8
77.03932	8.0
79.05047	2.0
79.05490	29.3
81.03410	2.0
81.07040	6.0
82.99860	0.9
83.04983	2.3
88.21236	0.9
91.05475	95.7
93.03386	0.9
93.07040	100.0
94.04169	2.1
94.07387	1.1
95.04355	1.1
95.04964	22.6
95.08617	4.6
97.06487	1.1
98.23459	2.0
101.00875	6.0
103.05458	4.1
104.06256	1.3
105.03378	4.0
105.04504	8.0
105.07024	18.9
107.04955	3.2
107.08585	3.3
109.06505	7.1
109.10154	5.8
109.58796	0.9
115.05425	1.0
115.89666	0.9
117.06992	9.0
119.01910	11.5
119.04932	10.1
119.05798	1.4
119.08573	52.4
120.08125	1.7
121.06505	5.3
121.10131	6.8
122.03600	2.0
123.04454	1.9
123.08083	5.1
124.02462	1.2
129.07019	2.0
133.02867	2.8
133.06479	1.2
135.04395	3.1
135.08023	3.4
137.02954	1.4
137.05974	15.8
137.09599	7.9
142.03493	9.8
147.04434	3.7
147.08046	13.2
160.04529	1.6
165.05475	33.4
165.09105	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	2-Phenylbutyric acid
Peak:m/z	Relative Intensity
51.02389	0.9
53.03941	3.2
55.01866	1.2
55.05505	2.3
57.03171	0.6
63.82793	0.6
65.03954	1.1
66.04722	1.0
67.05495	5.0
69.03439	0.7
70.94445	0.8
71.04991	0.9
77.03925	6.3
79.05491	17.7
81.03421	2.0
81.07058	3.3
82.99854	0.9
83.04982	2.5
83.69621	0.6
91.05479	53.5
93.07042	100.0
94.04176	1.9
94.07384	1.0
95.04966	13.5
95.08595	1.7
101.00897	6.0
103.05463	2.7
105.03393	3.1
105.04537	6.2
105.07030	12.2
106.07863	1.0
107.04950	1.5
107.08588	1.3
109.06511	3.6
109.10170	2.6
117.06967	4.0
119.01920	12.9
119.04955	6.6
119.08577	28.6
119.09428	1.5
121.06517	2.6
121.10146	4.5
122.03643	1.7
123.04386	1.0
123.08064	2.2
124.02446	1.1
133.02852	1.8
133.07590	1.3
135.04390	2.1
135.08066	3.2
137.03000	2.0
137.05981	14.9
137.09576	5.2
142.03510	10.6
147.04404	1.5
147.08023	6.1
149.02434	1.2
160.04552	2.2
165.05478	24.0
165.09120	19.0
176.52478	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	2-Phenylbutyric acid
Peak:m/z	Relative Intensity
53.03950	3.2
55.05512	2.9
56.91921	0.5
57.03446	0.6
59.99128	0.4
65.03957	0.7
67.05510	4.3
69.03410	0.6
70.67482	0.8
71.04998	1.2
76.21454	0.4
77.03935	5.3
79.05493	14.9
81.03378	0.8
81.07067	2.0
83.04980	1.4
91.05484	49.1
92.05825	1.1
93.07047	100.0
94.04230	0.5
94.07384	1.0
95.04979	11.4
95.08614	0.9
97.06495	0.5
101.00888	1.5
103.05480	2.3
104.06261	0.6
105.03420	0.9
105.04522	4.9
105.07032	9.8
106.07787	1.0
107.04951	0.6
107.08607	1.4
109.06517	1.4
109.10152	2.9
117.07027	3.6
119.01929	2.3
119.04949	5.6
119.05801	0.7
119.06099	0.6
119.08587	25.4
120.08942	0.7
121.06504	0.8
121.10152	4.0
123.04432	1.0
123.08066	1.9
133.02846	0.7
133.07617	0.9
135.08072	2.2
137.05983	11.2
137.09654	3.9
142.03502	2.2
147.04398	0.6
147.08051	7.5
149.02332	0.6
165.05492	5.3
165.09117	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	165.0912
Annotation	2-Phenylbutyric acid
Peak:m/z	Relative Intensity
53.03947	4.2
55.01864	1.9
55.05506	4.4
60.95742	1.0
65.03937	2.1
66.04731	1.0
67.05504	11.3
69.03416	1.9
69.46172	0.7
71.04988	1.7
72.59235	0.8
73.51888	0.8
77.03922	6.2
79.05042	1.8
79.05492	30.5
79.05952	1.7
81.03399	1.3
81.07063	6.5
82.99865	0.9
83.04983	1.5
91.05482	89.5
92.05762	1.9
93.07046	100.0
94.04187	1.4
94.07386	1.1
95.04966	24.7
95.08604	3.4
99.04427	1.3
101.00912	5.7
103.05438	4.9
104.06270	1.1
105.03374	2.4
105.04534	5.7
105.07027	16.0
107.04945	2.5
107.08591	2.4
109.06519	8.9
109.10181	5.3
111.08057	0.9
115.05467	0.9
117.07025	8.6
119.01918	11.2
119.04941	10.5
119.05796	1.2
119.06111	1.1
119.08583	51.8
120.08137	1.8
120.80236	0.7
121.06504	5.1
121.10149	5.5
122.03638	2.5
122.41244	0.9
123.04418	2.5
123.08104	4.2
124.02483	1.2
129.07007	1.4
132.05716	1.5
133.02815	2.3
133.06470	1.0
133.07585	0.9
135.04404	1.6
135.08051	4.0
137.02962	1.2
137.05983	16.3
137.09619	8.0
142.03493	8.5
147.04433	3.5
147.08041	12.8
160.04588	2.0
165.05495	30.3
165.09114	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	165.0907
Annotation	hinokitiol
Peak:m/z	Relative Intensity
53.03941	1.1
55.01850	0.6
55.05482	2.1
55.25899	0.5
57.18093	0.6
59.94574	0.5
65.03914	0.9
65.68161	0.5
66.04692	1.3
67.05502	14.6
69.03397	0.5
69.07058	1.1
69.19388	2.9
74.05646	0.6
77.03905	1.9
79.05489	6.0
81.07050	7.9
82.99819	2.1
83.04999	2.8
91.05474	8.7
93.07033	3.0
94.04170	2.1
94.07819	0.6
95.04961	5.2
95.08601	3.0
100.02476	1.0
101.00873	27.7
102.00927	1.1
105.03364	2.1
105.04498	1.8
105.07011	1.8
106.06527	0.9
107.04928	2.9
107.08579	1.2
109.06524	4.9
109.10143	15.7
117.07024	0.9
119.01911	89.6
119.08570	11.0
120.02032	3.0
120.08087	1.5
121.02949	0.5
121.06494	1.7
121.10096	1.2
121.23785	0.5
122.03617	1.8
122.07281	8.7
123.08056	1.7
124.02450	6.5
133.02838	4.5
135.04402	1.3
137.02948	23.8
137.05020	0.9
137.05951	5.5
137.09605	37.5
138.02994	0.6
142.03491	79.3
143.03610	2.5
147.04414	1.2
147.08087	1.0
147.11678	2.3
160.04552	20.5
160.05865	1.1
161.04721	1.0
165.05469	31.3
165.09097	100.0
165.12715	4.0
166.05923	0.6
166.09497	1.5
177.57387	0.5
183.06204	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
52.62093	0.5
53.03943	1.8
55.01866	0.7
55.05510	2.8
64.10063	0.5
65.03925	0.8
66.04713	1.6
67.05504	17.0
69.03432	1.0
69.07072	1.0
70.67256	0.7
70.67604	0.7
77.03135	0.5
77.03930	2.9
79.05491	7.2
81.03406	0.9
81.07056	8.1
82.99837	0.9
83.04984	3.4
91.05478	10.4
93.07038	3.3
93.44269	0.6
94.04167	2.1
95.04964	6.3
95.08602	4.2
98.23458	0.5
101.00871	17.7
103.05471	1.1
105.03378	3.0
105.04490	1.8
105.07041	3.3
107.04945	2.4
107.08588	2.4
109.06515	4.8
109.09418	1.0
109.10156	18.9
110.10522	0.6
112.76379	0.5
117.06995	0.6
119.01918	45.4
119.04925	1.8
119.08578	14.2
120.02013	1.5
120.08129	1.2
121.06504	1.4
121.10171	0.9
122.03648	2.7
122.07288	10.8
123.04436	1.1
123.08075	1.1
123.10011	0.7
123.11729	1.1
124.02451	3.0
133.02843	4.5
133.06485	1.1
135.04439	2.0
135.07945	0.7
135.50404	0.5
137.02946	11.0
137.04939	0.7
137.05977	8.4
137.09608	38.5
138.03093	0.8
138.09930	0.9
142.03496	39.9
143.03789	1.2
147.04430	3.1
147.08047	0.7
147.11690	1.1
151.43529	0.5
160.04553	11.5
165.01898	0.9
165.05487	29.6
165.09108	100.0
165.12733	2.4
166.05847	0.8
166.09448	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	beta-Thujaplicin
Peak:m/z	Relative Intensity
53.03961	0.6
54.35815	0.4
55.05504	1.3
62.32121	0.4
66.04715	0.4
67.05163	0.7
67.05503	8.9
75.74448	0.4
77.03925	0.5
79.05495	2.2
81.07053	4.6
82.99813	2.5
83.04970	1.5
91.05486	4.2
93.07042	1.3
94.04198	0.6
95.04974	2.9
95.08617	1.0
100.02480	1.2
101.00875	31.7
102.00959	1.0
105.03403	1.1
105.04542	0.5
105.07021	1.1
107.04945	1.1
107.08588	0.7
109.06506	1.5
109.10149	8.3
117.06980	0.6
119.01916	100.0
119.08585	6.8
120.02005	3.1
120.08092	0.7
121.06487	0.7
121.10172	0.5
122.03635	0.5
122.07284	5.4
123.08006	0.5
124.02451	6.8
131.04903	0.3
133.02832	1.0
137.02951	27.8
137.05894	1.8
137.09612	20.1
138.03049	0.9
142.03494	84.0
143.03624	3.6
147.08083	0.6
147.11681	0.4
160.04552	23.5
161.04637	0.5
165.05325	10.4
165.09106	52.8
165.12697	1.9
166.09590	0.5
183.06110	0.9
184.85669	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0864
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
62.70849	0.1
70.44503	0.3
79.05493	1.0
87.04494	0.1
91.05463	0.7
92.28249	0.1
93.07040	1.8
102.00978	0.4
103.05464	8.4
104.05853	0.1
105.04543	0.2
107.04953	2.1
118.06578	0.1
119.01930	0.3
120.02003	0.8
120.08101	100.0
121.01653	0.3
121.08440	1.5
128.91388	0.1
131.04929	2.6
143.03564	0.7
144.03226	0.3
149.05992	0.6
166.05101	0.1
166.08604	1.7
166.12364	0.3
167.07053	0.2
186.83163	0.1
188.26097	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02379	0.2
53.03940	0.7
55.01860	0.5
55.05494	0.3
65.03931	0.3
66.04706	0.5
67.05490	0.8
69.03429	0.3
69.23591	1.3
70.15898	0.2
77.03923	0.7
78.04709	12.2
79.05495	6.1
81.03413	0.4
81.07056	1.3
83.04977	0.7
84.96033	0.8
91.05480	1.5
93.03392	0.7
93.07037	2.3
94.04173	0.5
95.04973	3.2
95.08575	0.7
96.05740	0.9
97.02871	0.3
97.06525	0.7
103.00638	1.8
105.03354	0.4
105.04510	0.9
105.07046	0.6
106.04167	5.0
107.04969	3.5
107.06015	0.3
107.08579	0.8
109.02859	1.0
109.06516	0.9
111.04432	0.3
111.08062	0.5
120.02068	0.5
121.01665	6.8
121.02532	0.5
121.06498	1.9
121.07590	0.5
121.10142	0.8
122.03635	2.4
123.04428	20.9
123.08057	0.4
124.05228	6.1
125.02347	0.4
125.06012	0.5
125.09585	0.3
126.02208	0.5
126.72219	0.2
134.03613	1.9
135.04434	1.5
137.05969	1.0
138.03061	0.4
139.02701	2.0
139.07535	0.3
142.93567	0.2
144.03212	4.7
149.02318	0.9
149.05972	1.1
149.07069	0.6
149.09607	0.4
151.03911	4.2
152.04686	4.7
162.04305	1.4
167.07028	100.0
168.04192	0.3
168.07423	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	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
50.50890	0.7
53.03948	1.7
55.01876	1.2
55.05513	8.2
57.03450	0.9
57.07072	2.0
59.04990	3.9
65.03952	1.0
67.05505	5.0
69.03423	2.0
69.07066	28.5
69.07446	1.4
69.15945	4.7
71.04967	1.1
77.03928	2.2
78.04721	1.4
79.05489	23.8
81.07054	19.3
83.04975	3.5
83.08628	1.4
85.06510	0.9
91.05481	11.9
93.07042	67.8
94.07378	1.3
95.04948	6.4
95.08609	12.0
97.06533	7.4
97.10175	1.1
98.06079	0.7
103.05463	1.8
105.04509	2.5
105.07029	18.0
107.04982	3.6
107.08571	5.6
109.06496	2.2
109.10151	1.1
111.04494	1.4
111.08077	2.7
111.11703	5.6
119.08581	3.7
121.01659	2.0
121.02930	0.9
121.06493	2.7
121.10139	100.0
122.10455	1.3
123.04428	3.8
123.08092	4.1
123.11656	4.1
124.05231	1.5
125.05974	3.1
131.08585	1.2
133.07646	2.4
139.02704	0.9
139.11145	6.8
144.03273	1.9
149.09616	15.3
152.04617	0.9
167.07062	17.0
167.10669	33.0
183.53358	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03940	2.3
55.01882	1.2
55.05510	7.2
57.03436	1.8
57.07077	5.5
65.03922	1.4
67.05501	8.9
69.03426	3.1
69.07072	4.0
69.41020	2.3
71.01356	1.3
71.04988	6.0
75.69213	0.5
77.03925	1.7
78.04713	1.3
79.05489	18.1
79.58958	0.5
81.03392	0.6
81.07059	6.9
81.18247	0.5
83.04981	9.5
83.31968	0.5
85.06541	100.0
91.05476	11.3
93.03394	0.8
93.07042	25.9
93.18772	0.5
95.04969	6.1
95.08598	10.2
97.02894	2.3
97.06525	14.7
97.07111	1.1
98.23444	1.0
99.04475	1.6
103.00629	1.0
103.05481	3.5
105.04516	1.8
105.07031	6.6
106.04192	0.6
107.04956	3.4
107.08589	9.2
109.06509	3.8
109.10169	1.7
110.50783	0.5
111.04449	2.2
111.08044	3.9
116.06250	1.1
119.08585	1.5
121.01665	1.4
121.02901	0.9
121.06518	8.6
121.10136	17.6
123.04412	3.4
123.08054	5.8
123.11725	0.9
125.02342	0.9
125.05988	1.1
125.09637	0.9
129.06984	0.8
131.08546	4.5
133.07523	0.7
134.07370	0.5
137.09633	1.9
139.07544	1.0
139.11220	4.0
149.02414	1.0
149.05978	7.0
149.09607	9.4
151.03851	0.6
152.04701	0.6
167.03406	2.1
167.05907	0.8
167.07051	15.0
167.10680	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	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02380	0.8
53.03943	0.9
54.03650	0.5
55.01857	0.9
55.05499	1.5
57.03434	0.9
57.07067	2.4
59.05008	5.8
65.03941	1.0
67.05508	5.4
69.03424	0.9
69.07068	2.1
69.67879	2.1
71.04998	1.0
73.02924	3.2
76.96895	0.5
77.03941	1.6
78.04711	1.1
79.05496	29.8
81.07059	33.7
83.04978	1.1
83.08680	0.5
91.05475	4.5
93.03419	1.0
93.07047	24.2
95.04964	3.1
95.08607	19.6
97.06533	5.1
97.10113	0.6
103.00594	0.6
103.05452	0.6
105.04513	2.0
105.07035	11.6
106.04140	0.5
107.04956	9.1
107.08595	14.0
109.06497	1.6
109.10155	1.0
111.04479	0.9
111.08076	2.2
119.08562	1.8
121.02872	1.6
121.06521	3.4
121.10146	100.0
122.10507	0.8
123.04442	1.9
123.08067	2.9
123.11711	16.0
124.05220	0.7
125.05982	8.5
125.09655	0.7
131.08569	1.5
133.07639	1.8
135.04482	0.6
139.11180	14.9
143.28969	0.5
144.03232	1.1
149.02373	1.7
149.09615	9.0
151.03981	0.6
167.03387	1.5
167.05954	0.7
167.07053	14.4
167.10666	11.4
167.11996	0.9
167.14313	0.7
173.26952	0.5
174.80646	0.5
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
53.03933	4.3
54.07794	1.3
55.01865	5.0
55.05510	14.5
57.03431	6.3
57.07084	2.5
59.04985	2.4
65.03931	3.7
67.05499	25.8
69.03424	47.8
69.07068	14.0
69.31338	5.8
70.43362	1.1
71.04973	3.3
77.03921	2.9
78.04697	6.5
79.05486	59.9
81.03381	2.0
81.07050	32.2
83.04965	19.8
83.08606	3.1
85.06542	2.5
91.05477	33.1
93.03403	2.9
93.07039	98.8
94.91201	1.2
95.04967	16.7
95.08601	44.6
97.02888	100.0
97.06530	12.5
103.05478	2.5
105.04495	4.7
105.07023	22.4
105.27531	1.5
106.04181	4.0
107.04952	12.2
107.08585	38.0
109.06532	6.4
109.10149	8.0
111.04436	8.0
111.08066	6.6
116.06231	2.7
119.06075	1.6
119.08608	8.3
121.06505	15.0
121.10136	82.4
122.10514	1.5
123.04427	10.5
123.08051	16.6
123.11700	2.3
124.05223	3.1
125.06016	6.5
125.09637	1.6
129.06978	2.1
131.08569	24.8
133.07619	2.2
135.08086	3.9
137.09615	13.6
139.07536	3.6
139.11148	4.8
144.03326	1.6
148.12982	1.4
148.21672	1.3
149.05969	10.0
149.09604	33.8
151.03911	2.4
152.04681	2.8
167.03456	1.3
167.07037	51.2
167.10670	32.7
167.11743	0.8
167.14285	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	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03944	1.7
54.50512	0.6
55.01869	1.2
55.05507	2.2
56.83146	0.7
57.07077	1.4
59.05007	5.5
65.03934	1.7
67.05499	5.6
69.03428	1.6
69.07069	2.3
70.92664	0.6
71.00144	1.1
71.05000	1.1
73.02905	3.2
77.03937	2.1
78.44156	0.7
79.05490	40.7
80.05036	0.7
80.05829	1.0
81.07056	33.2
83.04945	1.2
91.05473	5.4
93.03420	1.4
93.07045	26.0
95.04957	4.8
95.08019	1.3
95.08607	18.1
97.06524	5.7
103.05470	1.0
105.04523	2.7
105.07027	12.4
106.07813	1.3
107.04948	8.6
107.08583	12.4
109.06505	1.7
109.10170	0.8
111.04449	1.2
111.08071	3.2
119.08569	2.1
121.01685	0.8
121.02882	1.4
121.06548	2.3
121.10141	100.0
122.10469	1.4
123.04456	1.9
123.08061	2.2
123.11699	17.0
124.05294	0.7
125.05975	8.1
125.09638	0.9
131.08525	0.7
133.07622	1.4
135.04408	1.4
138.62675	0.7
139.07512	0.7
139.11169	13.0
144.03224	0.8
149.02341	1.1
149.09612	9.5
149.13139	0.8
152.04713	0.9
167.03368	1.5
167.07069	18.8
167.10663	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	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03943	1.5
55.01876	1.4
55.05511	10.2
57.03432	3.4
57.07080	4.4
58.31682	0.8
65.03938	1.1
66.94341	0.7
67.05508	12.2
69.03432	6.6
69.07065	5.9
69.59906	2.5
71.04992	12.2
73.02911	0.9
77.03928	3.0
78.04697	3.4
79.05492	25.8
81.03441	1.3
81.07054	15.7
83.04988	12.5
83.08617	0.9
84.96021	1.2
85.06543	100.0
86.06879	1.0
91.05479	19.4
93.07045	49.6
95.04970	6.7
95.08604	17.8
97.02945	1.7
97.06535	26.5
97.10164	1.1
97.42151	0.7
99.04463	2.8
103.00648	1.4
103.05487	1.8
105.04523	3.1
105.07031	10.9
106.04165	1.1
107.04974	5.6
107.08593	14.8
109.06554	4.5
109.10148	6.9
109.99297	0.7
111.04450	2.4
111.08099	6.7
116.06231	1.9
119.06092	0.8
119.08591	4.2
119.49464	0.7
121.01670	3.3
121.02958	0.8
121.06519	4.6
121.10140	28.8
123.04462	3.5
123.08080	9.2
123.11694	1.1
125.05978	1.3
125.09624	1.6
129.06975	2.4
131.08566	10.9
133.07608	1.5
134.07272	1.2
135.04428	1.4
137.09613	7.0
139.07535	1.3
139.11182	4.4
144.03249	3.3
149.06001	1.0
149.09610	14.9
162.04312	1.4
167.03394	1.0
167.07042	24.6
167.10683	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	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.9
55.05298	1.0
55.05512	11.4
57.03409	1.4
57.07071	3.1
59.04998	2.7
65.03913	1.8
67.05503	15.5
67.28953	1.2
69.03421	2.5
69.07061	11.8
70.79797	1.7
71.04993	20.2
73.06564	7.2
78.04710	10.7
78.46039	1.1
79.05043	1.5
79.05490	21.5
80.05023	1.9
81.03439	2.0
81.07059	23.3
82.06564	1.1
83.04984	2.4
83.08614	5.9
84.96024	4.4
85.06541	2.5
85.30483	1.0
91.05473	6.1
93.07046	25.4
94.04211	1.3
95.04975	6.2
95.08601	51.7
97.06514	3.9
98.98478	1.4
101.17357	1.1
103.00626	5.5
105.04514	1.8
105.07021	3.0
106.04174	4.4
106.06537	1.7
107.04954	9.7
107.08592	31.1
109.06505	2.0
109.10149	13.6
111.08086	4.0
121.01666	15.6
121.06496	2.1
121.07653	1.2
121.10138	16.4
122.03638	2.5
123.04433	21.5
123.11698	4.7
124.05238	6.8
124.44619	1.5
125.05882	1.6
125.09621	2.1
134.03639	2.3
135.04451	3.1
139.02693	5.0
139.07486	1.6
144.03221	14.1
149.02336	2.6
149.07123	2.1
149.09608	2.1
149.13245	16.4
150.08963	1.3
151.03888	5.0
152.04608	5.3
162.04318	4.3
167.07036	100.0
167.14322	11.8
168.07422	2.4
168.10207	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	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03954	5.0
55.01867	4.2
55.05511	100.0
57.03448	5.7
57.07059	3.1
59.05003	12.4
65.03951	5.2
67.05161	1.6
67.05502	26.6
68.93704	1.0
69.03427	27.5
69.07062	13.4
69.69418	3.4
71.01354	2.1
71.04982	4.0
73.06551	1.1
75.04479	2.4
77.03933	3.2
78.04703	4.2
79.05041	2.1
79.05491	39.0
80.04993	1.2
81.03408	2.2
81.07056	26.1
83.04979	99.9
83.08617	44.9
84.05257	1.2
84.96015	2.5
85.06544	14.2
91.05478	21.6
93.03405	3.1
93.07043	63.1
94.07373	1.6
95.04967	11.6
95.08608	18.0
97.06522	9.4
97.10161	13.4
98.22740	2.2
99.08111	2.5
103.00617	3.4
103.05450	3.6
105.04508	4.1
105.07026	13.3
106.04150	1.9
107.04959	13.7
107.08590	39.2
108.04464	1.6
109.06503	6.0
109.10149	27.9
111.04536	1.3
111.05516	1.1
111.08083	43.4
112.08855	9.6
113.09620	4.3
119.05970	1.7
119.08577	3.5
121.01660	7.5
121.02902	2.4
121.06511	15.3
121.07374	1.5
121.07748	1.2
121.10145	52.5
123.04439	8.3
123.08102	3.1
123.11703	10.5
124.05190	2.6
125.05972	2.8
125.09627	17.1
131.08578	5.0
133.07597	1.6
135.04378	1.6
135.08023	15.3
137.09630	3.5
139.02661	1.2
139.07552	1.3
139.11183	4.5
144.03239	5.8
149.02332	3.3
149.06006	9.7
149.09592	11.8
149.13272	8.1
151.03955	1.3
152.04677	1.1
167.03456	5.0
167.07066	36.5
167.08133	1.3
167.10640	10.1
167.14313	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1431
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03935	1.9
55.01871	2.3
55.05512	17.6
55.11771	1.4
57.03423	3.5
57.07063	4.0
59.04997	3.6
65.03923	8.2
65.47456	1.4
67.05504	30.0
69.03437	1.8
69.07068	16.8
69.28017	7.1
71.04992	28.2
73.06559	11.7
77.03917	3.4
78.04700	10.0
79.05489	42.8
80.05806	2.3
81.03393	1.9
81.07053	45.5
83.04990	7.6
83.08624	8.3
84.96001	1.4
85.06541	3.5
91.05473	10.1
93.03425	6.8
93.07044	50.7
95.04967	11.0
95.08601	78.7
97.06534	9.3
103.00639	2.3
105.04514	4.7
105.07058	7.2
106.04169	8.0
107.04946	14.5
107.08595	38.0
109.06522	6.3
109.10155	15.4
111.04372	2.0
111.08051	8.0
119.08598	2.3
121.01685	5.7
121.02863	7.4
121.06499	4.2
121.10136	40.3
122.03677	3.5
122.10468	1.6
123.04432	21.5
123.08064	3.0
123.11711	8.2
124.05181	5.9
125.05977	5.5
125.09608	3.5
134.03619	2.5
135.04416	4.4
139.11172	3.9
140.89511	1.5
144.03255	3.4
149.02307	8.1
149.09612	5.8
149.13246	23.3
151.03900	3.5
152.04671	4.8
167.03465	9.3
167.07051	100.0
167.10638	13.7
167.14320	9.7
168.08012	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	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03946	1.6
54.05981	1.4
54.50730	1.4
55.01875	1.6
55.05510	9.9
57.03433	2.3
57.07068	3.1
57.60571	1.2
59.04992	2.6
65.03947	2.4
67.05507	21.2
69.03427	3.3
69.07073	14.6
69.35246	5.7
69.41341	1.4
71.04992	31.3
73.06557	10.7
76.06375	1.6
77.03952	3.0
78.04709	9.8
79.05494	21.3
81.07057	23.4
83.04958	3.1
83.08602	6.0
84.96031	2.9
85.06545	1.9
91.05485	6.0
93.03385	1.5
93.07048	33.5
95.04982	7.4
95.08606	66.7
97.06532	6.4
98.23512	2.5
103.00632	2.3
105.04520	1.9
105.07040	3.5
106.04207	5.2
107.04945	11.2
107.08592	36.5
108.08163	1.8
109.06540	2.5
109.10163	19.4
111.08092	3.1
121.01656	8.1
121.02903	1.9
121.06518	3.5
121.10144	20.5
123.04440	19.6
123.11719	10.0
124.05215	6.7
124.07558	2.6
125.09643	1.6
127.24380	1.6
133.01552	1.4
134.03650	2.1
135.04395	3.8
137.05966	1.7
139.02715	3.7
144.03249	8.9
149.02351	5.1
149.13271	23.6
151.03860	3.3
152.04657	4.7
161.36235	1.4
162.04320	2.7
167.03452	9.1
167.07040	100.0
167.10606	2.4
167.14333	13.1
168.07454	2.5
177.96112	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	167.1431
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03938	2.7
55.01860	3.6
55.05511	88.3
56.16713	0.8
57.03428	2.6
57.07082	4.5
59.05003	9.3
65.03937	1.7
67.05161	1.3
67.05505	17.6
69.03430	25.7
69.07072	10.1
69.73431	3.3
71.04986	3.0
73.91580	0.8
77.03943	0.8
78.04705	1.7
79.05491	13.4
81.07055	23.4
83.04981	100.0
83.08618	39.6
83.09021	0.6
85.06541	9.6
91.05469	6.2
92.83302	1.1
93.07051	15.9
95.04954	1.8
95.08607	12.2
97.02880	4.7
97.06521	5.8
97.10167	11.1
98.23417	1.0
99.08082	2.5
105.04508	1.3
105.07047	4.4
106.04149	1.4
107.04956	3.3
107.08591	21.4
109.06525	2.1
109.09418	1.6
109.10155	24.5
111.08080	27.3
112.08869	5.9
113.09626	2.9
119.08597	0.9
121.06482	1.7
121.10143	20.5
123.04449	2.9
123.08089	3.1
123.11711	10.4
124.05153	1.2
125.05997	1.1
125.09630	12.3
131.08574	2.3
137.09633	2.3
139.11168	1.3
149.09631	4.4
149.13263	6.0
167.05785	1.1
167.07062	16.7
167.08333	1.7
167.10652	3.2
167.14319	49.4
168.14651	1.4
176.43330	0.9
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
55.05509	17.8
57.03426	4.5
57.07065	4.0
59.04992	3.2
65.03937	2.0
67.05506	29.1
67.10626	1.5
69.03416	2.6
69.07067	21.6
70.50149	2.2
71.01341	4.9
71.04991	44.3
73.06554	16.9
78.04703	3.4
79.05493	28.6
81.03410	6.0
81.07056	44.1
83.04974	4.8
83.08602	7.9
84.96032	3.7
85.06559	3.4
91.05468	7.7
93.07043	47.8
95.04973	4.8
95.08604	100.0
96.08964	2.0
97.06546	4.4
103.00650	5.3
105.07047	8.0
107.04942	4.7
107.08588	54.2
109.10163	28.6
111.08082	5.4
121.01665	6.5
121.10139	32.8
123.04449	7.2
123.11726	7.6
124.05230	1.9
125.09618	2.4
131.08513	3.0
144.03261	5.5
149.07147	1.8
149.09615	4.1
149.13261	33.0
151.03839	1.7
167.07048	36.0
167.08159	1.4
167.10692	4.5
167.14316	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	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.8
53.57839	1.4
55.01856	2.3
55.05509	16.8
57.03426	4.2
57.07068	3.3
59.04995	5.5
65.03935	18.7
67.05503	29.5
69.03430	3.1
69.07066	18.8
71.04996	36.9
73.06548	13.5
77.03917	4.9
77.19997	1.5
78.04711	9.5
79.05493	62.0
79.05950	3.7
80.05804	2.0
81.03429	2.4
81.07056	67.1
83.04983	5.8
83.08613	6.1
85.06532	4.0
91.05482	17.8
93.03403	15.7
93.07043	68.1
95.04968	17.6
95.08607	100.0
97.06531	13.2
105.04514	4.2
105.07034	10.9
106.04173	4.4
107.04959	21.8
107.08594	48.2
109.06520	5.5
109.10157	18.9
111.04430	3.5
111.08090	5.6
119.08580	2.6
121.01675	3.0
121.02864	16.5
121.03725	1.8
121.06519	4.2
121.10144	78.3
122.03624	2.3
122.10510	2.2
123.04424	18.6
123.08073	2.7
123.11695	14.9
124.03985	1.8
124.05205	6.3
125.05988	5.9
125.09590	2.7
131.08556	4.3
133.07599	1.5
135.04416	3.3
137.05948	1.8
139.11156	9.4
139.18282	1.5
144.03226	5.1
149.02339	18.2
149.09605	8.5
149.13255	24.6
151.03941	2.4
152.04703	5.1
167.03401	21.4
167.07051	84.0
167.08488	4.0
167.10640	12.2
167.14293	16.1
168.06505	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	168.102
Annotation	Norpandamarilactonine A
Peak:m/z	Relative Intensity
50.89067	0.2
67.05506	0.4
67.44935	0.2
79.05505	0.5
80.05016	0.6
81.07056	1.2
82.06596	0.4
91.05493	0.3
93.07062	0.3
94.09653	0.2
95.04940	0.2
95.08613	0.8
98.06077	0.4
98.23437	0.6
106.06558	0.8
107.07327	0.8
108.08109	1.1
110.06049	1.0
122.09711	0.3
124.04750	0.3
124.07589	2.9
125.08394	1.1
135.06789	0.7
136.07567	20.5
137.07904	0.3
138.05484	5.8
140.07095	0.5
140.10745	0.4
141.05528	0.4
150.09052	0.3
152.07043	2.9
153.07840	34.1
154.08250	0.3
168.10187	100.0
169.04961	0.3
169.07562	0.4
169.10600	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	168.1021
Annotation	Norpandamarilactonine A
Peak:m/z	Relative Intensity
55.05510	0.3
55.55403	0.2
58.90075	0.2
67.05502	0.5
70.06628	0.3
79.05509	0.7
80.04996	0.7
80.05832	0.6
81.07050	1.5
82.06596	0.4
91.05482	0.5
93.07072	0.3
94.07397	0.3
98.06104	0.2
98.22665	0.4
102.01393	0.3
105.07055	0.4
106.06564	1.8
107.07372	1.3
107.08573	0.5
108.04456	0.3
108.08125	1.4
108.08934	1.6
109.06532	0.5
110.06055	0.8
122.10491	0.6
124.07594	4.4
125.08357	0.6
125.52474	0.3
136.07574	27.7
138.05498	2.4
140.07100	0.7
140.10730	0.4
141.05475	0.4
150.10056	0.4
152.07062	4.6
153.07846	40.3
154.08182	0.5
168.10197	100.0
169.10602	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0496
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
55.01865	0.6
68.99778	2.7
69.43161	0.9
80.02635	0.2
81.03440	0.7
84.46308	0.3
85.02942	0.4
95.42302	0.2
97.02897	1.0
98.03659	2.8
109.02865	1.6
111.00800	25.6
112.01133	0.4
113.05997	0.6
113.81451	0.3
126.01774	0.4
126.02375	0.4
126.03130	29.6
141.05460	100.0
142.05801	1.1
147.45242	0.3
169.04958	55.2
170.05318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.086
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
53.03937	3.7
55.01860	3.9
55.05512	19.0
57.03418	4.1
59.04999	2.0
64.69635	1.1
65.03925	5.1
67.05505	22.0
69.03432	5.9
69.07051	3.9
70.09935	2.4
70.10286	1.7
71.04994	24.5
73.06555	2.3
77.03915	2.0
79.05048	1.6
79.05494	25.3
79.41689	1.2
81.03416	8.7
81.07054	61.5
83.04978	8.3
85.06529	7.6
87.07188	1.1
91.05479	11.5
93.07040	12.9
95.04969	19.5
95.08613	15.0
96.05825	1.4
97.02869	2.0
97.06509	3.1
98.03660	1.4
99.04469	2.5
99.08096	11.0
105.04510	4.0
105.07010	8.3
107.04941	4.8
107.08598	8.7
109.02895	6.0
109.06512	44.6
109.10135	8.0
111.00798	9.5
111.04428	3.6
111.08081	15.3
113.09644	2.3
121.10085	1.4
123.04414	10.3
123.08042	7.7
123.11693	9.2
125.09658	1.5
126.03132	13.1
127.07632	1.1
133.10158	2.9
137.05952	4.7
137.21646	1.2
139.07536	100.0
140.07774	1.4
141.05460	55.3
141.09126	2.8
151.03894	15.4
151.07573	4.9
151.11185	5.2
162.25851	1.1
163.97720	1.4
169.04962	37.9
169.07513	4.5
169.08687	24.2
169.09985	1.9
169.12262	4.3
171.26199	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0861
Annotation	Methylhexahydrophthalic anhydride
Peak:m/z	Relative Intensity
52.70493	0.5
53.03966	0.7
55.01873	100.0
55.05513	3.1
55.58275	0.5
58.53011	0.5
65.03941	0.8
65.55653	0.6
67.05507	10.1
69.03426	0.8
69.07069	30.4
69.83510	1.1
69.83861	1.6
71.04997	1.0
72.04535	0.5
75.47298	0.5
79.05491	7.9
81.03424	1.2
81.07056	10.9
83.05014	0.5
83.66921	0.6
88.45423	0.6
89.68874	0.5
91.05488	7.5
93.07057	3.6
95.04989	2.3
95.08607	50.6
97.06535	12.2
98.23434	0.6
99.04451	1.3
105.07033	11.1
107.04984	1.8
107.08591	10.9
109.06519	14.4
109.07223	0.9
109.10198	1.7
110.64494	0.5
111.00788	1.0
111.08092	0.9
111.12970	0.5
117.18546	0.7
119.06097	1.0
123.04452	0.8
123.08076	17.4
123.11708	3.9
126.03175	1.0
127.07525	0.8
133.06528	1.9
141.05447	4.2
151.07545	7.8
151.08562	0.7
151.11223	1.0
169.04999	2.3
169.07564	0.8
169.08698	8.1
169.10014	0.8
170.15442	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	Geranic acid
Peak:m/z	Relative Intensity
55.01865	2.2
55.05511	17.0
55.67205	1.4
57.03435	5.5
57.07059	1.6
65.03942	1.9
67.05502	76.9
69.03426	7.9
69.07065	27.6
71.04991	35.5
71.45793	1.4
79.05489	17.5
81.07053	76.1
83.04985	11.4
83.08615	3.0
85.06545	21.3
91.05466	18.7
93.07036	15.4
95.04967	6.4
95.08606	5.0
97.06526	7.0
99.04443	5.6
99.54523	1.4
105.07029	33.6
107.07996	1.1
107.08591	41.5
109.06520	12.9
109.10151	100.0
110.10517	3.6
111.00787	1.6
111.08086	3.4
113.06003	5.4
120.03630	1.5
123.08062	2.1
123.11709	10.5
125.09596	2.9
126.03145	3.4
127.07543	3.7
127.11190	1.6
131.08536	2.4
133.10123	32.5
141.05472	10.6
148.90356	1.4
151.08653	2.4
151.11165	10.6
152.03378	2.5
169.04948	6.9
169.07574	5.0
169.09865	2.4
169.12172	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	169.1224
Annotation	Geranic acid
Peak:m/z	Relative Intensity
53.03951	1.7
55.01859	2.1
55.05511	16.3
57.03429	3.5
57.07065	2.5
65.03941	2.4
67.05505	77.6
69.03437	7.5
69.07069	30.2
71.04993	36.1
73.06551	0.7
78.86877	0.7
79.05491	15.5
81.07055	75.6
82.07385	1.0
83.04975	13.2
83.08621	1.7
85.02900	1.4
85.06542	20.6
91.05479	18.3
93.07050	12.8
95.04973	5.0
95.08601	6.1
97.06525	7.6
99.04446	6.0
99.08073	1.8
100.79625	0.9
105.07027	34.8
106.07349	0.8
107.08592	38.9
109.06517	11.0
109.10153	100.0
110.10515	0.7
111.08073	2.4
113.05985	6.7
115.05471	0.9
115.07580	0.9
119.06033	1.0
123.08048	0.9
123.11704	12.3
125.09620	1.9
127.07519	3.9
131.08569	2.3
133.10124	33.9
141.05469	1.6
151.08626	0.9
151.11172	16.0
157.37384	0.6
169.04985	1.4
169.07574	0.8
169.12166	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	5-Hydroxy-2,5-dimethyl-4-vinyl-2-hexen-1-al
Peak:m/z	Relative Intensity
50.24409	0.4
53.03939	1.5
55.01874	13.1
55.05510	7.8
57.03430	1.9
57.07077	2.8
58.48896	0.4
59.05000	0.6
59.69669	0.4
65.03934	1.4
67.05506	24.9
67.97729	0.4
69.03426	3.4
69.07066	9.1
71.04993	32.8
71.08614	1.0
77.03922	1.1
79.05497	10.4
81.03431	2.1
81.07057	41.8
83.04974	1.2
83.08626	1.2
85.06542	8.0
91.05484	4.1
93.07047	10.6
95.04970	14.2
95.08606	55.2
96.08937	0.7
97.06537	3.2
97.10140	1.2
99.04456	41.3
99.08096	19.3
99.08615	0.3
100.04823	0.6
103.05502	0.6
105.03397	1.3
105.04513	2.1
105.07030	7.0
107.04951	1.6
107.08596	5.0
109.02868	1.8
109.06521	14.1
109.10165	6.1
111.00797	0.6
111.08082	100.0
112.08416	1.6
112.98634	0.5
113.06016	1.9
113.09648	2.8
119.95215	0.4
121.10126	1.4
123.04436	7.8
123.08074	9.6
123.11702	17.5
124.04810	0.4
125.05974	0.5
125.09658	1.0
126.03139	1.8
126.67445	0.5
127.03904	0.8
127.07550	0.7
133.06500	1.4
133.10133	3.0
137.02312	2.9
137.05869	0.5
139.07562	3.0
139.11180	0.6
141.05466	6.1
141.09036	0.5
141.12744	7.5
151.03903	12.7
151.07541	10.0
151.11180	12.4
151.12416	0.6
152.11513	0.6
169.05019	4.1
169.07553	2.8
169.08798	5.7
169.12259	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	169.1224
Annotation	(E)-2,4-Ochtodiene-1,6-diol
Peak:m/z	Relative Intensity
53.03942	2.3
55.01872	1.8
55.05507	8.8
57.03429	1.8
57.07071	2.7
59.04974	1.4
65.03942	1.8
66.97919	1.0
67.05500	25.5
67.18076	1.1
69.03425	2.1
69.07063	4.1
69.31847	6.9
71.04990	5.3
77.03909	2.7
79.05042	1.9
79.05492	30.7
80.05834	1.5
81.03401	4.2
81.07056	44.9
83.04959	1.4
83.08620	1.4
85.06545	2.0
91.05015	0.8
91.05474	30.2
93.07045	50.3
95.04955	8.5
95.08601	50.8
96.08918	1.4
99.08118	1.3
105.04522	1.6
105.07027	57.3
107.04934	1.4
107.08590	100.0
108.08893	1.5
109.02875	5.7
109.06514	63.1
109.10153	19.3
111.08064	6.5
119.06065	2.2
121.10140	72.9
123.04370	1.3
123.08059	5.6
123.10873	2.0
123.11703	22.4
126.03134	2.9
131.08571	6.2
133.10121	64.9
134.10420	1.7
137.02345	21.3
138.02716	1.5
139.07550	1.8
141.05457	11.7
141.09134	1.3
147.88274	1.3
151.03886	2.5
151.11169	15.8
169.05051	7.3
169.07515	7.7
169.12254	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	169.1224
Annotation	trans-2-Methyl-5-isopropylhexa-2,5-dienoic acid
Peak:m/z	Relative Intensity
51.13523	0.6
53.03941	1.8
55.01867	1.6
55.05511	20.2
57.03423	1.0
57.07078	4.7
58.02184	0.6
59.05009	1.1
61.93733	0.6
65.03935	2.2
67.05505	26.1
69.03426	2.9
69.07061	8.2
70.09575	1.4
71.01338	0.8
71.04992	8.5
74.56200	0.7
79.05492	12.0
81.03418	0.9
81.07054	100.0
82.07402	1.2
83.04995	0.7
83.08624	1.1
85.02879	0.8
85.06535	4.2
91.05482	2.6
93.07042	9.0
95.04970	9.6
95.08604	23.1
97.06543	1.7
97.10162	4.9
99.04451	2.3
99.08095	1.4
105.07012	5.1
105.11763	0.6
107.08627	4.5
107.09220	0.9
109.02895	1.3
109.06498	5.8
109.10181	4.4
111.00826	1.8
111.04443	0.8
111.08099	3.6
113.06011	1.0
121.10150	1.2
123.08065	3.0
123.11705	20.8
124.12040	0.8
126.03111	2.9
133.10139	2.7
141.05467	10.7
141.06990	1.4
151.08659	0.8
151.11160	5.2
152.03378	0.9
169.05016	5.3
169.07481	4.9
169.09914	1.3
169.12224	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1176
Annotation	3alpha-Acetoxynortropane
Peak:m/z	Relative Intensity
55.01865	0.8
55.05503	0.8
55.31993	0.2
56.96548	0.2
57.07068	1.5
63.52681	0.1
69.07053	0.2
72.04515	1.2
72.86920	0.2
79.05483	0.2
83.08621	0.5
85.03956	0.2
86.06066	1.2
86.09703	100.0
87.10025	1.0
89.07150	0.6
90.02064	0.2
93.05786	0.2
97.10168	0.3
98.23450	0.5
116.10713	0.9
123.13740	0.2
124.07534	0.2
128.10713	26.5
129.11021	0.4
142.12239	0.4
152.06995	0.2
170.08000	0.5
170.09485	0.2
170.10692	0.2
170.11758	5.0
171.14915	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1017
Annotation	Isoboonein
Peak:m/z	Relative Intensity
53.03942	3.2
55.01870	5.8
55.05516	24.7
57.03433	4.5
59.05005	3.7
61.02921	1.5
65.03945	3.3
67.05162	2.0
67.05511	38.0
69.03428	5.3
69.07079	3.9
69.62659	4.8
71.04993	12.2
72.04520	3.8
77.03928	5.4
79.05495	58.4
80.18546	1.3
81.07057	49.8
83.04984	40.7
83.08633	3.0
85.06563	8.3
89.07169	2.7
91.05484	42.7
93.07050	100.0
95.04984	12.2
95.08604	21.2
97.06514	1.9
99.08101	6.0
105.04519	5.3
105.07043	12.8
107.04963	3.3
107.08598	60.5
109.06536	21.2
109.10144	1.8
111.04449	21.0
111.08087	30.7
112.83661	1.2
117.07022	2.0
119.06087	4.1
123.08057	6.5
125.09653	7.7
127.07575	5.1
129.05484	32.4
135.08060	11.0
143.05956	1.4
153.09132	15.2
171.10184	9.6
171.14922	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	171.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72075	1.3
53.03948	2.5
55.01874	5.9
55.05512	23.9
57.03431	4.4
59.05004	4.5
59.43251	1.1
61.02935	1.8
65.03947	2.9
67.05505	36.8
69.03426	5.0
69.07064	3.2
70.68177	2.1
71.04991	13.8
72.04513	1.9
77.03928	4.8
79.05494	67.3
81.07057	55.4
83.04980	46.6
83.08630	2.6
85.06538	9.9
89.07153	3.3
91.05479	43.4
92.06255	1.3
93.07043	100.0
95.04968	12.9
95.08606	26.1
97.06551	3.6
99.04460	2.9
99.08105	6.1
101.06034	2.1
105.04510	4.8
105.07037	10.8
107.04983	3.7
107.08595	65.1
109.06512	21.1
109.10194	2.0
111.04447	21.7
111.08080	29.8
112.07606	1.5
113.05968	1.2
117.07008	3.5
119.06053	3.1
123.08065	6.9
125.06001	1.7
125.09634	8.1
127.07616	6.4
128.79453	1.6
129.05475	37.4
129.06433	1.8
135.08089	10.4
153.09085	17.8
171.05388	1.6
171.10167	7.6
171.14928	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	171.138
Annotation	(1R,2R,4S)-p-Menth-5-ene-1,2-diol
Peak:m/z	Relative Intensity
55.05513	11.5
57.07060	2.1
59.04990	3.1
61.02920	3.6
62.46405	1.2
66.31370	1.0
66.71268	1.0
67.05499	4.1
69.03419	1.2
69.07067	8.6
71.04980	1.2
71.08632	51.1
72.04516	56.7
79.05471	2.5
79.65414	0.9
81.07054	11.4
81.89891	1.0
83.08627	14.6
85.06537	3.1
89.07153	44.9
91.05447	1.2
93.07040	4.8
95.08598	7.9
97.06541	9.2
99.08094	37.8
101.06013	4.6
107.08588	5.2
109.10146	6.1
111.08089	7.6
125.65662	1.1
129.09081	1.3
134.67548	1.3
135.11687	1.7
153.12740	5.6
171.13789	100.0
171.14984	30.3
172.14212	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.138
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
55.01870	1.6
55.05515	7.2
55.96945	0.6
57.03427	0.9
57.07078	7.4
59.93580	0.6
64.01600	0.6
67.05507	7.5
69.03426	0.7
69.07067	11.9
70.82347	0.8
71.04996	4.4
72.04523	4.5
79.05502	3.1
81.07049	7.2
83.04979	2.5
83.08630	3.8
85.06542	100.0
89.07146	4.4
91.05474	2.6
93.07049	10.2
93.07610	1.1
95.04954	2.5
95.08599	5.1
96.30328	0.6
97.06538	18.6
99.08087	1.0
105.07030	0.7
107.08594	11.9
109.06522	1.1
109.10152	15.1
111.04469	0.9
111.08083	7.5
115.07579	0.7
116.04968	0.6
121.20600	0.6
123.11743	1.6
125.05970	3.1
125.09646	1.3
126.68561	0.6
135.08076	0.9
135.11665	5.3
139.96490	0.8
141.06943	0.7
143.08531	0.8
153.09116	3.8
153.12756	8.3
156.09326	1.0
171.11664	1.1
171.13600	3.1
171.15060	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	171.1381
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
51.39562	0.5
55.01866	1.4
55.05509	6.8
57.03426	0.9
57.07075	7.5
67.05504	9.6
69.03420	0.6
69.06709	0.9
69.07068	13.8
70.41412	0.5
71.04990	3.6
71.45155	0.6
72.04514	4.0
79.05486	4.4
81.07053	5.8
83.04970	1.7
83.08628	4.0
85.06540	100.0
86.06873	0.9
89.07156	3.2
91.05485	2.1
93.07049	9.5
95.04969	2.5
95.08609	3.7
97.06533	17.8
99.08078	0.8
103.07570	1.3
107.08588	11.9
109.06530	0.8
109.10154	14.1
111.04427	0.9
111.08070	7.9
119.59770	0.5
123.11700	1.3
125.05983	1.5
125.09646	0.8
133.48615	0.6
135.08105	0.7
135.11671	3.6
143.08530	0.7
153.09103	3.1
153.12732	7.3
156.09344	1.0
160.45755	0.5
171.11581	0.7
171.13666	2.9
171.15062	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	173.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	42.3
57.03448	3.2
57.07088	2.6
58.74127	2.8
59.04993	12.1
65.03946	2.6
67.05505	100.0
69.67223	7.9
72.93785	10.5
81.07059	13.2
83.04982	31.8
83.08618	8.4
87.04480	3.1
89.02369	4.3
89.50225	2.4
90.94827	11.5
91.05467	9.1
93.07043	4.9
95.08576	3.1
98.23386	4.6
100.07629	4.7
101.06027	22.7
103.03304	2.8
105.07029	4.7
109.10153	84.3
111.04445	42.9
113.05992	4.3
115.05470	9.7
117.07020	9.3
119.08569	4.5
127.07578	4.1
129.05486	12.7
129.06963	3.9
131.08568	19.7
137.07126	4.1
137.09665	4.7
143.08493	4.1
144.09351	4.2
145.06451	6.8
145.10110	8.5
149.94083	3.6
149.96062	6.5
155.07043	27.7
155.10571	2.9
158.10916	3.9
167.97131	5.7
173.02367	15.3
173.05945	8.1
173.08136	49.7
173.09593	4.0
173.11716	7.2
173.13277	32.4
174.07619	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	173.1174
Annotation	(2E)-9-hydroxynon-2-enoic acid
Peak:m/z	Relative Intensity
55.05508	22.8
57.03437	2.4
57.07084	1.2
59.05003	8.5
65.03934	1.0
67.05505	100.0
68.05870	1.2
69.07055	1.8
69.77547	2.5
71.04989	3.4
72.18534	1.0
72.93776	2.7
79.05466	2.4
81.07056	11.3
83.04986	8.8
83.08625	7.7
85.06546	3.4
86.09702	1.2
90.94820	2.8
91.05489	6.8
93.07038	3.4
95.04415	1.0
95.05005	1.2
95.08598	4.8
95.56113	1.1
99.04433	1.2
100.07600	1.2
101.05993	8.0
103.05421	1.4
105.07056	1.4
106.57062	1.0
107.08567	1.8
107.10413	1.0
109.10155	77.9
110.10491	1.1
111.04449	12.0
111.08118	2.8
112.67174	1.0
115.05467	6.5
116.07109	1.1
117.06994	7.1
118.45210	1.3
119.08607	6.6
119.09307	1.0
127.07541	1.3
129.05489	3.2
129.07033	1.1
131.08548	10.0
137.09668	1.5
141.83095	1.0
143.08551	1.3
145.06482	4.7
145.07555	1.4
145.10141	2.1
155.05997	2.2
155.07051	9.7
155.10669	3.4
158.10928	1.9
173.02301	4.0
173.05945	4.6
173.08142	14.1
173.09535	2.0
173.11754	6.9
173.13271	14.8
174.07660	1.8
176.90495	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
50.54302	0.4
53.03946	0.4
53.10842	0.3
54.07076	0.4
55.05512	3.9
57.68371	0.3
59.05010	0.8
67.05510	3.6
67.55619	0.4
69.15292	2.2
71.50757	0.4
72.93787	1.2
73.02915	0.4
73.34218	0.3
79.05482	1.2
81.07048	2.3
83.04980	3.3
83.08619	0.4
85.06550	0.9
89.02394	0.4
90.94830	0.9
91.05483	7.4
93.07045	1.1
95.08585	0.8
97.02847	0.5
98.98468	0.6
101.06018	2.3
103.05420	0.5
105.07037	7.9
107.08524	0.5
109.10152	1.3
111.04443	4.7
113.05968	0.5
114.44971	0.4
115.05460	1.2
116.06240	1.3
117.07017	4.4
119.08579	11.7
128.06219	0.9
129.05487	1.1
129.06996	6.7
130.07779	2.1
131.08566	49.2
132.08897	1.2
132.95810	0.5
133.10210	1.8
137.09673	0.5
142.07791	1.0
143.08562	20.2
144.09349	7.1
145.06450	0.4
145.10123	22.3
155.07053	3.3
156.09331	1.3
157.10159	1.0
158.10907	30.2
159.11256	0.7
171.11671	2.6
173.08182	4.8
173.13257	100.0
174.07686	0.5
174.13622	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	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
50.16262	0.8
53.22540	0.7
53.49031	0.8
55.05509	4.4
57.03441	1.0
59.05014	1.0
60.04520	1.9
65.03908	0.9
67.05505	4.1
69.03425	1.4
69.23295	0.9
79.05486	3.3
81.07056	7.4
83.04984	6.1
85.06541	2.5
91.05484	14.0
93.07028	1.9
95.08585	3.4
97.02898	3.5
99.08085	0.8
101.06024	3.7
102.31957	0.8
103.05465	0.9
105.07027	15.6
111.04431	6.4
114.05528	1.6
115.05424	3.8
116.06223	3.1
117.07018	8.0
119.08579	16.4
123.27608	0.7
128.06198	4.5
129.05496	1.7
129.06999	14.9
130.07819	5.4
131.08565	62.3
133.10107	4.1
133.72855	0.7
141.06944	1.2
142.07767	1.5
143.07422	1.7
143.08559	34.4
144.09377	9.7
145.06499	1.1
145.08965	1.7
145.10118	27.9
145.68631	0.8
155.05931	1.1
155.07033	4.5
155.08177	0.7
155.14235	0.8
156.09351	2.7
157.10092	1.8
158.10915	35.8
171.11655	2.7
173.05890	1.7
173.08122	6.2
173.09637	2.4
173.13255	100.0
174.07622	3.0
174.13609	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0915
Annotation	Pyroquilon
Peak:m/z	Relative Intensity
54.05010	0.3
55.05513	0.7
55.93539	0.4
56.05039	0.6
56.05872	0.3
56.96569	1.6
57.03449	1.2
59.05032	0.3
60.04531	2.3
60.05663	0.8
64.00424	0.3
68.05035	0.6
68.82003	0.2
69.03430	1.0
69.07080	0.7
70.06592	1.5
70.95869	5.3
71.43247	0.3
72.04510	0.4
72.08144	0.3
72.93790	3.4
80.90655	0.3
82.06593	0.4
83.04994	0.3
84.04511	1.2
85.02918	0.6
86.06084	0.7
88.96915	0.6
90.94854	1.5
96.04530	0.4
97.02898	4.0
97.06560	0.5
98.06073	0.3
98.97594	1.0
98.98451	2.0
100.07611	0.3
101.06025	0.3
102.05576	0.3
102.06386	0.3
110.06061	0.4
111.98484	4.7
112.04789	0.9
113.96468	0.3
113.98679	0.8
114.05521	2.1
115.03911	0.3
116.07124	0.3
119.01904	0.5
128.07100	1.1
129.99527	1.3
130.06531	51.0
131.00027	0.4
131.06871	0.6
131.97452	1.8
131.99715	1.7
132.05086	0.7
132.06551	1.4
132.08119	0.5
132.95840	10.6
133.03456	0.5
143.07304	0.4
144.06543	0.3
146.06030	0.4
146.08124	0.7
149.98512	1.2
150.00745	1.3
150.96909	11.5
155.97429	4.3
156.08156	0.8
158.99651	0.3
162.05412	0.4
167.97195	0.3
173.98489	4.6
174.07713	6.0
174.09137	100.0
175.04514	0.9
175.09529	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0391
Annotation	Lawsone
Peak:m/z	Relative Intensity
53.00307	6.9
53.03932	0.5
53.80219	0.4
55.05509	1.1
57.07090	0.5
57.26491	0.4
58.79601	0.4
65.03935	6.3
67.05514	0.4
68.97009	0.4
69.07065	3.4
69.15762	2.2
69.16173	0.7
77.03955	0.4
79.05501	1.9
81.07046	2.4
83.08603	0.4
84.18055	0.4
91.05478	58.4
92.05811	0.9
93.07030	1.3
95.04971	1.2
95.08600	2.3
98.98456	1.9
100.47498	0.4
103.05453	5.2
105.03358	0.5
105.07028	6.1
107.04922	0.7
107.08578	1.1
115.05425	2.1
117.07007	1.4
118.04143	0.4
119.04940	38.8
119.08575	17.4
120.05328	0.7
123.04410	2.0
129.06999	0.9
131.04919	1.8
131.08591	0.9
132.05704	1.0
133.02780	0.5
133.10123	14.8
143.04912	0.5
145.10141	0.9
147.04401	100.0
147.08099	1.2
147.11664	2.0
148.04762	1.8
160.05196	2.8
160.12531	0.6
165.05472	0.6
173.02287	0.4
173.13347	0.5
175.03902	21.2
175.07494	5.7
175.14815	19.5
175.16368	0.7
193.04991	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1119
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
51.02386	0.5
52.07823	0.5
53.03940	0.9
55.01872	7.8
55.05507	2.8
57.03431	1.2
65.03936	1.2
67.05505	10.1
69.07061	5.6
70.15580	1.2
79.05493	14.2
81.03412	3.7
81.07059	12.7
83.04975	2.3
83.08623	0.6
91.05479	93.4
92.05823	1.0
93.07043	7.4
95.04971	5.7
95.08604	2.2
97.06506	2.9
98.98466	9.1
103.05482	1.1
105.03407	0.7
105.04538	0.8
105.07027	34.8
107.04956	9.4
107.08618	2.5
109.06512	2.3
115.05455	7.7
116.06237	1.4
117.07017	4.7
119.04934	1.7
119.08579	38.8
121.06479	1.6
128.06256	2.4
129.07001	28.9
131.04916	0.5
131.08566	28.7
132.05722	1.2
133.06506	6.0
133.10127	21.9
133.11143	1.3
134.07249	0.6
140.09213	0.5
141.06992	0.6
142.07773	8.6
144.05717	1.1
145.06404	0.7
145.10130	2.2
146.07288	0.6
147.04408	1.4
147.08054	6.0
147.10767	0.3
147.11685	18.8
157.10126	37.6
158.10507	0.9
160.05211	4.9
175.03806	1.1
175.07584	11.8
175.11179	100.0
175.14748	13.9
175.18880	1.5
176.11517	1.4
176.15028	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83859	0.6
55.05510	6.8
57.07085	0.7
67.05498	1.6
69.07065	21.0
69.54380	1.2
69.54740	1.7
69.78889	0.7
69.89363	0.5
79.05480	1.7
81.07053	5.1
83.08620	4.1
84.57761	0.6
87.58186	0.5
91.05463	8.7
93.07020	3.0
95.05029	0.6
95.08609	4.6
103.05449	1.0
105.07027	23.2
107.08601	4.7
109.10126	0.8
117.07009	2.7
119.08575	83.1
120.08897	1.3
121.10149	3.1
131.08601	3.4
132.09288	0.8
133.10124	69.8
134.10464	0.9
135.11681	1.1
145.10118	7.0
146.10905	1.0
147.04343	0.7
147.11673	9.4
160.12474	3.3
161.87843	0.6
165.47835	0.7
173.13260	2.6
175.14815	100.0
176.15120	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
52.52002	0.6
55.05515	5.5
57.07054	1.3
64.08167	0.6
64.85912	0.6
66.58848	0.7
67.05501	1.4
69.06714	1.1
69.07068	17.9
69.17215	3.6
69.17603	1.3
75.37778	0.6
77.03947	0.9
79.05490	1.6
81.07054	3.8
83.08624	3.9
84.19347	0.6
85.65488	0.6
87.17744	0.6
91.05473	6.5
93.07044	2.3
95.08632	3.6
95.09127	0.6
105.07030	17.9
107.08589	2.8
117.07005	2.1
119.08578	69.7
121.10140	1.8
131.08578	2.5
133.10129	57.2
143.08533	0.6
145.10112	4.7
146.10915	0.8
147.11682	8.2
159.11797	0.9
160.12466	2.3
173.13252	2.3
175.14821	100.0
191.17949	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
51.87188	0.7
55.05506	6.5
57.07071	1.0
57.29524	0.6
57.78696	0.6
58.29818	0.8
64.58961	0.7
66.24152	0.6
67.05501	1.2
69.07067	20.3
70.59161	1.5
79.05494	1.6
79.62061	0.7
80.67995	0.6
81.07053	4.9
83.08600	3.9
91.05473	11.0
93.07045	2.9
94.24751	0.7
95.08595	4.6
98.98448	0.9
105.04485	0.7
105.07029	22.8
107.08581	4.6
115.05429	3.0
117.07042	3.4
119.04937	2.4
119.08578	74.3
121.10123	2.9
131.08575	3.9
133.10126	64.8
135.11670	0.8
145.10138	5.4
147.04401	6.2
147.11678	9.1
160.05180	2.9
160.12486	2.9
172.69731	0.7
173.13283	1.6
175.03958	1.8
175.07587	6.8
175.14818	100.0
176.15167	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
54.02925	0.5
55.05510	7.9
57.07072	2.0
60.22050	0.5
67.05496	5.1
67.11098	0.5
69.07064	15.2
69.51375	2.1
79.05486	6.7
81.07053	40.8
83.08631	3.1
91.05474	18.1
93.07039	12.0
93.07602	0.8
95.04987	1.0
95.08600	26.7
95.55843	0.5
97.56664	0.5
98.98463	4.8
103.05466	1.1
105.07023	53.4
107.08591	16.2
109.10159	1.4
115.05443	2.5
117.07015	5.4
118.07789	0.6
119.08574	100.0
120.08862	1.0
120.15095	0.6
121.10136	1.8
129.06964	1.3
131.08563	8.3
132.09323	1.6
133.10121	73.6
134.10425	1.2
142.07791	0.7
145.10080	2.9
146.10849	4.1
147.04491	0.7
147.08060	1.0
147.11679	15.9
157.10181	0.7
160.03947	0.5
160.05161	3.3
160.12457	2.6
173.13245	1.5
175.07504	6.3
175.11227	3.3
175.14810	99.3
176.15128	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	Herniarin
Peak:m/z	Relative Intensity
51.02382	0.6
53.03951	3.1
53.24709	0.4
55.01871	3.1
69.43855	1.4
69.44251	0.7
71.01357	2.2
72.20316	0.4
77.03928	4.6
79.05493	19.7
81.03409	6.1
81.07037	0.4
91.04938	0.8
91.05483	10.8
93.07049	10.3
95.04963	7.4
103.05466	24.0
105.03406	4.9
105.04486	2.6
105.07024	2.7
107.04955	15.3
107.05681	0.8
109.02877	100.0
109.06502	1.3
110.03217	0.6
112.34940	0.4
119.04932	0.8
120.08911	0.4
121.06505	13.6
123.04441	1.6
126.13581	0.4
131.04926	12.0
132.05763	0.5
133.02856	10.0
133.03871	0.9
133.06502	1.0
134.10435	0.6
135.04420	3.0
145.02829	0.4
147.04399	1.2
149.05980	11.2
149.07202	0.6
151.03917	0.6
159.04413	5.4
159.05585	0.8
176.15178	0.5
177.05464	12.1
177.06979	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82872	0.1
51.02370	0.3
53.03941	1.1
55.01872	0.7
55.05503	0.3
67.05495	0.2
69.07048	0.3
77.03919	0.9
78.04708	0.2
79.05502	1.3
81.03412	6.3
81.07059	0.5
83.08614	0.2
89.03908	0.3
89.36272	0.1
89.61259	0.1
91.04999	0.1
91.05476	3.4
93.07043	3.5
95.04961	1.8
95.08600	0.7
98.98452	0.3
103.05467	4.8
105.04518	0.9
105.07013	0.8
106.04176	0.5
107.04949	3.0
107.08582	0.8
109.02874	100.0
109.10165	0.2
110.03217	0.8
117.03388	0.5
117.07027	0.2
118.39766	0.1
119.08597	0.2
119.11520	0.1
120.08920	0.2
121.06501	3.7
121.10143	1.1
125.02344	0.2
131.04933	1.7
134.03560	0.3
134.10475	0.1
135.04405	0.4
135.11690	0.2
145.01787	0.1
145.02780	0.6
149.05988	3.0
149.07158	0.2
159.04362	0.7
159.05562	0.1
176.15062	0.2
177.05452	2.2
177.09099	0.4
177.12743	0.4
177.16396	0.8
186.95282	0.1
191.59233	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	177.0546
Annotation	Herniarin
Peak:m/z	Relative Intensity
51.02370	0.4
53.03948	1.6
55.01870	2.1
64.72121	0.2
65.03922	0.3
69.18446	0.7
69.18864	0.7
71.01352	1.3
77.03928	2.6
78.04710	0.4
79.05495	11.2
81.03417	6.3
81.07053	0.5
89.03893	0.3
91.05475	7.1
93.07042	6.8
93.07608	0.5
95.04964	4.8
103.05464	13.5
105.03407	1.1
105.04511	2.2
105.07034	0.8
106.04154	0.7
107.04952	12.3
107.08572	0.3
109.02876	100.0
109.06494	1.1
110.03206	0.8
117.03351	0.4
119.04930	0.2
121.06502	8.5
123.04456	0.5
131.04932	5.9
131.05920	0.5
133.02853	2.9
133.03886	0.4
135.04411	1.6
145.02797	0.3
147.04413	0.4
149.05983	6.9
149.07179	0.4
151.03935	0.6
159.04411	2.4
159.05577	0.3
177.05453	6.9
177.06976	0.4
183.15247	0.2
186.83658	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03941	1.4
53.34507	0.8
55.01862	4.3
55.05512	3.9
57.03426	1.7
65.03934	1.6
67.05151	1.5
67.05503	18.4
69.03399	1.0
69.07063	5.9
77.03926	1.4
79.05042	1.6
79.05489	28.3
81.03423	1.8
81.07053	34.5
83.04979	4.2
83.08620	2.7
85.06547	1.5
88.02184	0.9
91.05476	27.6
93.07039	48.8
95.04970	7.8
95.08603	8.4
97.06521	8.9
98.98460	3.2
99.08086	1.0
103.05458	1.5
105.07018	17.9
106.06595	0.8
107.04939	2.3
107.08585	16.2
107.09264	1.5
108.18999	0.8
109.02852	4.5
109.06515	5.1
109.10149	0.8
111.08073	3.4
115.05451	1.8
117.07011	20.6
119.08582	4.9
121.06490	2.2
121.10146	7.8
123.08015	1.3
129.07022	1.2
131.08560	25.4
133.10121	33.9
135.08076	6.2
135.11679	9.0
144.09317	1.9
149.02368	2.1
149.05928	1.0
149.09576	1.5
149.13252	16.6
157.10051	1.3
159.11691	49.5
177.05391	1.4
177.10233	3.6
177.12738	100.0
178.08582	0.9
178.13120	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
50.28101	0.7
53.03949	1.7
55.01883	5.4
55.05502	3.1
55.46926	0.7
57.03426	0.8
57.96232	0.7
65.03947	0.8
67.05161	1.5
67.05505	21.8
69.03420	1.0
69.07070	5.4
69.71980	2.1
71.04952	0.9
77.03922	1.6
78.04707	1.0
79.05045	1.7
79.05492	27.7
81.03413	3.9
81.07057	33.8
83.04967	3.4
83.08602	2.3
85.06535	0.9
91.05480	29.2
93.07043	46.2
95.04966	8.8
95.08619	5.7
97.06531	7.7
98.22693	0.9
98.98486	1.1
103.05452	1.3
105.04513	1.7
105.07021	16.4
106.04171	4.0
107.04979	4.5
107.08591	18.5
107.09265	1.6
109.02880	3.8
109.06514	4.5
109.10133	1.0
111.08076	3.5
117.07016	20.1
119.08596	6.0
121.06512	4.5
121.10136	8.6
123.08060	1.2
131.07700	1.0
131.08560	24.4
133.09181	1.7
133.10129	29.8
135.08035	8.0
135.11688	9.4
144.09311	1.6
149.05975	2.5
149.09645	3.6
149.13251	14.6
152.05368	0.8
157.10153	2.0
159.10361	2.0
159.11694	40.3
162.03061	1.3
177.05458	5.8
177.12743	100.0
178.13118	1.9
194.57352	0.8
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
55.01863	3.7
55.05505	3.5
56.96569	1.5
57.03432	1.7
63.96396	1.3
65.03939	1.2
67.05505	19.5
69.03417	1.6
69.07062	5.6
70.69272	2.3
79.05488	21.3
81.03419	2.6
81.07059	31.2
83.04954	2.5
83.08597	2.5
88.02237	2.1
91.05479	21.0
93.07048	38.3
95.04944	9.3
95.08620	9.6
97.06539	9.5
98.98460	5.4
103.05457	1.3
105.07030	17.4
107.04949	3.9
107.08601	16.1
109.02863	2.2
109.06519	5.0
117.07017	16.2
119.08582	6.1
121.06496	5.0
121.10138	8.9
123.08164	1.3
129.06979	1.8
131.08580	19.0
132.08983	1.4
133.10132	21.9
135.08066	7.9
135.11710	7.5
144.09430	1.4
149.02330	1.6
149.09627	3.5
149.13260	16.2
159.11699	37.1
159.12965	2.8
177.06654	1.9
177.10214	5.3
177.12746	100.0
178.08612	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	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03933	2.9
53.66101	1.0
55.01862	4.9
55.05500	4.3
57.03407	1.8
64.57804	1.2
65.03947	1.1
67.05167	1.5
67.05503	21.6
69.03429	1.4
69.07054	4.6
69.47605	4.3
69.47913	1.1
69.75188	1.0
69.95064	1.0
70.77657	1.1
79.05495	25.9
81.03403	4.8
81.06572	1.6
81.07054	29.7
83.04969	3.8
83.08611	4.1
91.05476	24.2
93.07044	42.9
95.04984	8.3
95.08617	9.4
97.06509	6.1
98.22731	2.0
98.98462	3.4
105.04487	2.6
105.07014	14.4
107.04955	3.2
107.07941	1.6
107.08595	16.3
109.02856	1.6
109.06506	3.8
111.08089	2.1
116.06289	1.1
117.07013	17.4
119.08578	4.7
121.06484	3.2
121.10161	9.1
121.35910	1.2
123.08037	1.3
129.07021	1.4
131.08565	18.0
133.09167	1.9
133.10126	23.7
133.11127	1.6
135.08054	9.2
135.11670	9.0
149.09654	2.8
149.13249	16.1
157.10130	1.2
157.94702	1.1
159.11696	37.9
177.10217	4.7
177.12744	100.0
178.08615	1.4
179.64908	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
50.68497	3.2
53.03955	5.7
54.92908	2.7
55.01866	5.0
55.05508	25.5
55.63626	3.0
57.03426	7.7
57.07074	3.6
67.05504	21.6
69.03423	7.7
69.07072	42.6
69.65672	11.0
70.23647	3.1
71.04998	14.3
77.83919	3.3
79.05490	72.6
81.03394	6.0
81.07053	56.7
83.04974	6.3
83.08627	11.6
88.02223	3.4
91.05472	60.2
93.07044	100.0
95.04986	21.1
95.08598	23.2
97.06477	3.0
98.97574	4.9
98.98466	15.4
103.05466	10.2
105.04530	6.9
105.07031	39.0
106.04188	6.7
107.04949	21.0
107.08586	71.6
109.02879	44.4
109.06489	17.6
109.10188	3.1
115.05447	6.5
115.75283	2.9
116.98637	4.4
117.03426	3.4
117.07011	40.8
117.27286	3.3
118.06509	4.9
119.06064	4.7
119.08588	26.4
121.06514	28.1
121.10121	19.5
129.06989	7.6
130.07793	7.4
131.04927	4.5
131.08568	29.2
132.08102	3.5
133.10091	14.5
135.08051	15.2
135.11697	11.9
144.09328	8.2
146.05960	3.6
149.02382	5.5
149.06006	11.3
149.13260	13.6
159.11682	27.1
177.05377	17.1
177.08975	5.6
177.10258	9.2
177.12723	49.7
177.16330	5.4
178.08672	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	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03939	1.4
55.05263	0.8
55.05512	12.9
57.07066	2.1
67.05503	5.1
69.06712	1.4
69.07066	21.8
69.25451	3.6
77.03920	1.4
79.05496	11.2
80.87587	0.9
81.03427	1.3
81.06625	1.2
81.07059	15.4
83.08617	15.1
91.05475	10.9
93.06443	1.5
93.07043	36.1
95.04977	2.2
95.08607	36.1
97.10159	4.7
98.23388	1.7
103.05463	3.1
105.07034	8.8
106.04162	3.3
107.04950	1.7
107.08593	71.4
109.02872	21.7
109.06458	1.3
109.10140	12.1
109.21834	0.8
117.03387	1.5
117.06990	2.3
119.06040	1.2
119.08580	2.8
121.06503	3.3
121.10146	100.0
131.04930	1.4
133.06514	1.0
133.10190	1.0
135.11691	24.7
145.02855	2.8
149.05977	3.4
149.13248	8.0
159.11702	1.1
162.06792	3.8
177.05574	4.1
177.09097	25.5
177.10547	1.6
177.16383	57.4
178.16707	1.5
191.25313	0.9
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
53.03951	1.2
55.01864	0.9
55.05510	9.4
57.07080	1.8
58.02264	0.7
65.03922	1.1
67.05499	8.3
69.03422	1.5
69.07070	25.3
69.33589	4.2
71.15371	0.7
77.03940	1.0
78.04697	1.5
79.05492	15.1
81.03416	1.4
81.07054	17.1
81.07503	1.3
83.08618	14.4
89.03917	3.7
91.05481	11.8
93.07040	34.4
95.04965	2.5
95.08604	45.7
97.10147	3.0
98.97576	0.9
98.98460	2.5
103.05480	3.3
105.04466	0.9
105.07041	7.5
105.16206	0.8
106.04160	7.3
107.04935	2.0
107.08590	65.2
109.02876	13.3
109.06541	1.6
109.10159	14.2
117.03359	4.9
117.07024	2.2
118.06502	0.8
119.08563	2.8
120.08907	0.7
121.06522	5.8
121.10142	100.0
122.10441	0.9
123.08109	1.5
131.04932	1.7
131.08534	1.8
132.98239	0.8
133.07613	1.0
133.10112	1.2
134.03653	1.1
135.11682	16.3
145.02861	5.5
146.06017	0.9
149.05969	7.0
149.13240	4.8
159.11676	3.7
177.05453	9.6
177.09044	5.9
177.12892	5.6
177.16376	73.9
178.08740	1.1
178.16827	0.9
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	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.05507	9.1
57.07079	1.6
67.05505	9.0
69.07068	26.3
69.92910	2.6
72.39736	0.7
72.50025	0.7
75.79931	0.8
79.05491	14.3
79.19718	0.7
81.03398	1.1
81.07056	20.3
83.08617	15.3
89.03899	4.0
91.05479	9.3
93.07045	39.4
95.04974	2.6
95.08604	43.9
95.98209	0.8
97.10173	3.7
98.98420	1.3
103.05484	2.1
105.04501	1.3
105.07029	7.4
106.04186	3.1
107.04964	0.9
107.08593	68.4
108.08934	1.3
109.02879	7.4
109.06533	1.8
109.10150	14.4
115.73135	0.9
117.03393	6.5
117.07014	0.9
119.04950	0.9
119.06004	0.8
119.08605	2.1
121.06506	2.9
121.10143	100.0
122.10511	0.7
123.08103	0.8
131.04919	1.3
133.10117	1.7
134.03644	1.3
135.11699	16.9
140.72693	0.8
145.02840	8.6
149.05969	5.6
149.13217	6.2
159.11630	1.0
177.05453	6.3
177.09116	2.2
177.12878	2.1
177.16380	74.2
178.16719	1.2
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	Valerianine
Peak:m/z	Relative Intensity
50.63476	0.2
55.05523	0.3
56.17717	0.2
56.96556	1.0
59.93092	0.3
63.35885	0.3
63.49468	0.2
71.43342	0.3
79.05483	0.8
80.05006	0.3
81.03441	0.5
82.03740	0.6
88.02214	0.4
91.05489	1.5
92.05024	0.4
92.33154	0.2
93.05773	0.5
93.07039	0.6
93.30754	0.2
94.07384	0.3
95.04987	0.4
98.97566	0.6
99.97928	0.4
104.05808	0.6
105.07023	1.2
106.06512	0.2
107.08553	0.5
108.05243	0.2
109.02879	6.5
109.06510	0.4
110.03206	10.7
116.98610	0.5
117.05736	0.4
117.06991	1.2
117.98971	0.5
118.06540	7.0
118.96758	1.6
119.04973	0.6
119.07322	7.4
122.06881	0.6
132.08057	0.7
133.02850	0.3
133.06499	0.5
134.09647	51.6
135.09978	0.4
135.99979	0.3
136.07558	1.1
146.05972	1.5
147.04459	0.3
150.06329	0.4
154.94171	0.4
154.96443	0.5
160.11226	0.8
162.09099	1.6
163.09930	1.2
172.94209	0.6
177.98065	0.6
178.04926	1.1
178.08952	3.4
178.12256	100.0
179.03358	0.3
179.07030	0.5
179.12598	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	(3S)-2-Oxo-3-phenylbutanoate
Peak:m/z	Relative Intensity
51.02385	1.6
53.03934	4.1
55.01867	4.4
55.05507	7.7
56.34803	1.3
57.03433	1.4
58.62189	1.1
61.02942	1.0
65.03925	3.2
67.05505	24.7
67.37012	1.3
69.03413	4.5
71.01334	4.3
71.48556	1.4
77.03913	4.5
79.05489	100.0
80.05805	1.8
81.03411	5.9
81.07053	46.7
82.07388	1.5
83.01323	1.4
83.04971	2.0
91.05476	23.4
93.07041	8.4
95.04961	31.9
95.08607	10.6
97.02882	5.6
103.05463	10.7
105.03406	3.3
105.04513	2.7
105.07024	50.3
107.04955	16.3
107.08562	2.9
109.02851	8.3
109.06514	47.1
111.04433	9.9
111.08072	29.5
115.05442	4.5
117.07018	6.2
119.04933	6.2
119.08545	1.6
121.06487	5.6
123.04416	7.5
123.08054	10.2
125.02322	1.7
125.10958	1.2
133.02853	4.4
133.06482	35.9
133.07504	1.9
133.10037	1.4
135.04430	8.6
135.08018	1.9
137.05965	24.9
147.04382	4.4
151.03900	56.2
151.07527	16.1
152.49564	1.2
155.59985	1.2
161.05971	9.2
179.02202	1.1
179.03395	47.9
179.07010	53.9
179.10492	1.5
180.07326	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
53.03941	2.3
55.01852	0.8
55.05511	30.9
65.03940	1.4
67.05505	7.5
69.03427	2.3
69.46078	1.8
71.01351	2.8
76.14581	0.7
77.03941	1.5
79.05495	12.3
81.03431	1.3
81.07056	43.3
83.04979	4.3
91.05480	11.4
93.07037	4.9
94.04165	3.7
95.04962	6.2
95.08601	17.9
97.02881	2.5
98.22748	1.0
103.05463	2.7
105.07024	20.1
105.89738	0.6
107.04934	6.1
108.05747	6.7
109.02860	1.9
109.06516	100.0
110.06876	0.9
115.05473	1.0
119.04944	1.0
119.06084	2.2
121.06484	2.3
123.00788	1.2
123.04428	0.8
123.08065	20.7
133.06493	12.9
133.07498	0.8
133.10194	0.6
137.05980	15.4
147.04408	1.4
149.05911	0.7
151.07536	26.9
152.07784	0.8
161.05923	3.5
179.07024	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	(3S)-2-Oxo-3-phenylbutanoate
Peak:m/z	Relative Intensity
51.02370	0.4
51.45329	0.4
53.03931	1.4
54.83290	0.4
55.01868	3.6
55.05508	10.9
57.03434	0.9
57.07066	0.6
65.03935	1.3
65.58246	0.4
66.39146	0.3
67.05499	11.3
67.05863	0.6
68.99810	0.4
69.07073	0.7
71.43961	0.5
77.03910	2.1
79.05487	12.9
81.03394	1.0
81.06567	0.5
81.07054	12.9
83.04977	14.6
83.08597	0.6
91.05471	11.9
93.07039	10.0
95.04342	0.6
95.04963	16.4
95.08596	10.2
103.05470	6.1
105.03414	1.8
105.04526	2.1
105.07023	31.7
107.04934	1.7
107.08575	2.2
108.05736	2.1
109.02884	2.5
109.06512	4.4
109.10146	3.5
110.03201	0.4
111.04436	67.6
111.08079	7.2
112.04758	0.8
112.08374	0.5
115.05454	4.2
119.04922	3.4
119.08604	0.7
121.06489	9.2
121.10200	0.6
123.04427	6.3
123.08054	6.3
123.11658	2.6
132.55544	0.4
133.02844	1.0
133.06480	100.0
133.10100	3.7
134.06821	1.4
135.04485	0.4
136.05208	0.4
137.05974	0.9
137.13223	0.7
138.01437	0.4
139.01201	0.4
147.04393	5.7
149.05930	0.5
151.03903	5.6
151.07530	27.9
152.07887	0.4
153.99072	0.4
160.40903	0.3
161.05948	1.0
161.09654	1.2
165.71751	0.4
179.03403	1.2
179.07033	13.0
179.08632	0.7
179.10674	1.3
179.14296	0.8
179.17941	1.4
196.61266	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	(3S)-2-Oxo-3-phenylbutanoate
Peak:m/z	Relative Intensity
51.51242	0.7
53.03948	2.3
53.12642	0.7
55.01875	2.5
55.05511	29.5
57.41225	0.7
59.04996	1.2
65.03938	2.5
67.05502	11.9
69.03438	2.5
69.09035	4.8
71.01352	3.7
77.03941	1.9
78.52013	0.9
79.05492	17.4
81.03438	1.7
81.07057	42.6
83.04977	7.2
91.04937	1.5
91.05482	22.9
93.07046	8.4
94.04187	3.3
95.01335	1.1
95.04975	10.7
95.08604	20.6
97.02902	3.5
98.22713	1.6
103.05440	5.6
105.03376	1.6
105.04522	1.5
105.07030	40.4
107.04952	7.3
107.08608	1.6
108.05740	7.5
109.02872	1.3
109.06519	100.0
110.06867	1.6
111.04447	15.0
111.08085	0.7
115.05459	3.1
119.04957	7.1
119.06087	1.5
121.06498	5.6
123.00793	0.9
123.04436	10.6
123.08067	25.4
133.02843	6.4
133.06494	41.1
135.04453	2.1
137.05989	17.1
147.04410	5.2
149.06009	1.1
151.03882	3.4
151.07542	38.2
161.02409	0.9
161.05969	10.2
161.09550	1.1
163.03839	1.0
179.03424	23.4
179.07031	62.4
179.10632	2.2
180.07365	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	(3S)-2-Oxo-3-phenylbutanoate
Peak:m/z	Relative Intensity
53.03946	2.1
54.45386	0.5
55.01877	4.0
55.05513	7.0
57.03441	1.7
65.03947	0.8
67.05503	5.9
69.03433	1.3
70.11221	1.2
70.11572	0.7
73.51292	0.5
74.81638	0.5
77.03929	3.1
79.05497	19.9
81.03426	1.1
81.07059	11.2
83.04988	3.7
83.08624	1.9
85.96466	0.5
91.05479	10.8
93.07046	10.4
95.04971	54.3
95.08619	6.9
96.05282	0.8
103.05476	4.1
105.03387	0.8
105.04530	2.6
105.07027	27.6
107.04959	13.5
107.08595	1.7
108.05728	1.7
109.02893	2.3
109.06519	16.7
109.07118	0.3
109.10155	1.1
110.28691	0.5
111.04454	7.8
111.08082	100.0
115.05445	1.5
117.06998	1.0
119.04932	0.9
121.06506	4.9
121.10085	0.7
123.04438	6.6
123.08064	8.8
133.06493	20.9
133.07507	1.1
133.10120	1.7
134.06825	0.6
135.04443	0.7
135.08025	0.6
135.11716	0.9
137.05954	2.3
137.09625	0.6
143.03351	0.9
147.04367	1.2
149.05962	1.9
151.03932	2.9
151.07553	11.1
161.05989	7.4
179.07033	29.2
179.10579	1.9
179.14241	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	(R)-(-)-Mellein
Peak:m/z	Relative Intensity
51.02374	0.9
53.03944	7.4
55.01877	7.0
55.05514	11.5
56.05574	0.8
57.03443	1.7
59.25359	0.9
61.34934	0.8
65.03950	6.2
67.05503	31.0
69.03420	4.6
69.07058	1.7
69.19713	0.8
70.18305	0.8
71.01350	4.6
71.47867	0.9
73.02887	1.2
77.03919	6.5
79.05492	72.0
79.83983	0.9
81.03441	5.9
81.07058	65.3
83.04984	6.5
85.02888	1.9
86.03098	0.9
91.05482	42.7
93.07059	10.7
94.04180	1.7
95.01334	1.5
95.04967	40.7
95.08601	14.4
97.02895	6.8
101.49976	0.9
103.05466	15.5
105.03376	4.7
105.04503	4.8
105.07030	46.9
107.04955	20.2
107.08622	1.9
108.05709	2.9
108.08897	1.0
109.02176	1.7
109.02888	15.2
109.06516	52.8
109.10149	1.7
111.04443	26.7
111.08080	38.9
115.05460	4.9
117.06982	1.5
118.04143	1.1
119.04945	17.8
119.05887	1.4
119.08588	2.2
121.06514	12.2
121.10152	1.5
122.04583	1.0
123.04426	10.2
123.08069	11.7
125.02337	1.2
127.03888	1.1
131.04880	1.1
133.02782	1.3
133.06491	52.1
133.10121	2.8
134.07253	2.1
135.04411	13.7
135.08046	2.6
136.85341	0.8
137.04945	1.6
137.05972	27.0
137.07019	1.7
137.09621	1.1
147.04407	20.1
151.03903	100.0
151.07518	25.0
151.11046	0.9
161.06003	7.7
161.09578	1.3
163.03999	1.2
179.03453	2.1
179.07039	37.8
179.10503	2.1
179.14308	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	180.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01874	10.9
57.03442	10.4
58.33274	0.9
60.04535	1.5
60.20957	1.0
61.02934	5.4
69.03429	35.9
69.98414	2.8
71.01375	0.9
71.04971	1.7
72.04516	4.1
73.02917	8.2
81.03424	4.7
84.04516	2.2
85.02905	100.0
91.03954	1.5
96.04504	1.3
97.02892	24.4
98.97597	5.1
99.04448	8.3
101.02394	6.8
102.00948	1.2
103.03970	1.0
104.81966	1.1
109.02869	3.3
115.03957	3.4
116.98678	3.2
119.01902	1.2
120.02020	3.7
121.01685	1.2
121.06493	1.0
126.30518	0.9
127.03918	54.7
144.06564	1.5
145.04962	29.6
154.18639	0.8
156.97487	2.0
160.23041	1.1
162.03082	1.9
163.06061	3.4
179.99083	1.1
180.04099	1.8
180.06552	1.3
180.08693	2.7
180.10178	1.4
182.52248	1.1
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
53.15759	0.4
55.01870	0.5
55.05504	0.7
55.90705	0.4
56.96563	7.5
57.03428	0.5
63.02353	0.5
65.03940	23.0
67.05506	1.1
69.35931	1.4
69.36333	0.8
71.95248	0.6
77.03916	1.2
79.05494	3.6
81.07059	1.3
82.04210	0.6
83.04973	1.7
85.02889	0.9
85.74970	0.4
86.74141	0.4
89.03915	6.8
91.05483	3.6
93.03403	23.4
93.07037	2.8
94.04188	0.7
95.04964	4.3
95.08600	0.6
97.06534	1.0
98.97580	100.0
99.35159	0.4
103.05480	1.2
105.03398	0.5
105.04505	0.7
105.06972	0.6
107.04951	7.5
107.08584	1.7
109.06518	0.9
110.03671	0.5
111.04453	3.8
116.98618	54.3
117.03367	9.7
119.04922	0.9
119.08519	0.5
121.02864	23.2
121.03960	2.8
121.06497	3.2
121.10127	1.4
125.05975	1.5
134.99654	18.3
135.04408	19.4
135.08051	0.9
135.11720	0.7
137.05962	2.8
139.03906	2.3
140.00179	3.9
145.02844	12.8
145.10059	0.8
149.02335	27.4
149.05968	5.0
151.07527	0.5
153.00696	1.3
153.05586	0.9
158.01292	3.5
163.03896	63.7
163.11139	1.0
163.14799	0.6
164.04245	1.3
166.07814	0.4
167.03392	34.5
181.04950	11.6
181.06390	0.8
181.08574	2.3
181.09996	0.8
181.12180	0.8
181.15775	0.5
182.19080	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.3
53.03953	0.4
55.01893	0.3
56.96571	2.6
65.03930	0.7
69.84441	0.5
69.84740	0.3
77.03916	0.5
79.05498	3.1
81.07063	0.5
85.02903	0.2
89.03917	12.9
91.05476	2.3
93.03402	0.4
93.07048	1.3
95.04964	1.2
97.02892	0.4
98.22776	0.5
98.97585	36.6
100.26727	0.2
103.05445	0.4
105.04510	0.3
105.07032	0.3
107.04959	5.5
107.08586	1.1
109.06519	0.4
111.04436	0.8
113.83245	0.3
116.98626	18.9
117.03381	17.9
117.04613	0.3
119.04937	1.0
120.39060	0.3
121.06503	0.9
134.99660	5.8
135.04416	32.9
135.08041	1.0
137.05963	3.4
139.03906	0.5
140.00185	1.0
145.02852	21.7
145.03853	0.7
146.03065	0.3
149.05954	1.5
151.07550	0.7
153.00731	0.5
153.05453	0.7
158.01236	1.2
159.42850	0.3
163.03903	100.0
164.04291	1.3
181.05020	1.5
181.08591	1.6
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
53.03940	0.9
55.05509	0.6
56.96563	8.7
59.37299	0.4
64.80978	0.5
65.03934	2.9
67.05500	2.0
69.07049	0.7
71.95260	0.4
77.03925	0.9
79.05492	5.5
81.03422	0.9
81.07032	2.2
82.04198	1.0
83.04980	1.4
85.02895	1.8
89.03911	13.2
91.05483	4.9
93.03393	1.4
93.07037	4.8
95.04973	2.7
95.08610	0.8
97.06518	1.2
98.97578	100.0
103.05473	0.8
105.04534	0.7
105.07022	1.4
107.04946	8.4
107.08604	3.4
108.02088	0.7
109.06508	1.2
111.04440	1.2
116.98617	57.0
117.02561	1.0
117.03374	18.1
117.07008	0.7
119.04955	1.1
119.08543	0.9
121.02825	0.8
121.06523	3.0
121.10130	2.5
122.03580	0.8
123.08055	0.8
125.05979	2.4
127.03925	0.5
134.99652	21.4
135.04405	33.7
135.08037	2.1
135.11713	1.0
137.06000	2.8
137.57741	0.5
138.05588	0.4
139.03879	1.4
140.00174	2.8
145.02841	22.1
145.10129	1.1
149.02327	1.0
149.05963	2.5
151.07527	0.7
153.00719	1.4
153.05457	2.1
156.47676	0.5
158.01231	3.6
163.03896	97.0
163.07526	1.9
163.11133	3.0
164.04208	1.3
167.03394	0.7
171.06517	1.5
181.03468	0.8
181.04961	10.4
181.08560	5.0
181.12207	1.9
195.46675	0.5
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
53.03961	0.3
55.01875	0.5
56.96565	1.3
57.03447	0.3
57.62720	0.3
62.75521	0.2
63.02391	0.3
65.03955	0.4
67.05510	0.8
68.99783	0.2
69.07066	0.6
77.03922	0.4
79.05503	3.8
81.03422	0.5
81.07066	0.8
83.04996	0.4
85.02901	0.3
89.03916	12.6
91.05485	2.5
93.03403	0.8
93.07048	1.8
95.04971	1.4
97.02921	0.4
97.06536	0.3
98.97586	21.2
103.05460	0.3
105.04546	0.5
107.04958	5.9
107.08624	1.1
109.06526	1.2
111.04445	1.5
111.08100	0.4
115.05388	0.2
116.98624	11.4
117.03381	16.8
117.07043	0.8
119.04949	0.5
119.08607	0.3
121.02899	0.3
121.06512	1.4
121.10081	0.2
123.04478	0.2
125.05998	0.3
127.03961	0.5
134.99670	3.9
135.04417	31.9
135.08020	1.2
136.04910	0.3
137.05962	1.8
139.03899	1.3
139.07524	0.4
140.00212	0.5
145.02850	22.0
145.03749	0.8
146.03206	0.3
149.05998	0.4
151.07515	0.5
153.00784	0.3
153.05482	1.0
153.09236	0.3
158.01266	0.5
163.03903	100.0
164.04250	1.5
166.06195	0.2
167.03458	0.2
171.06470	0.2
175.44815	0.2
181.05034	1.7
181.08607	4.0
181.12167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
55.01865	1.0
56.96569	4.1
57.03426	0.4
57.92620	0.4
65.03931	1.3
67.05497	2.4
69.07059	1.5
69.21848	0.9
69.22251	1.3
71.01345	0.6
77.03909	0.7
79.05490	9.0
79.09140	0.4
81.03416	1.7
81.07050	3.3
83.05007	0.5
86.99909	0.5
89.03911	15.3
91.04923	0.7
91.05471	6.3
93.03381	0.6
93.07039	6.9
95.01323	0.7
95.04976	4.2
95.08599	0.5
97.02908	0.6
98.22644	0.7
98.97579	59.3
101.02322	0.4
103.05442	0.9
105.04527	0.5
105.07029	1.2
107.04949	11.0
107.08577	3.2
109.06512	1.7
111.04406	1.0
113.02354	0.7
113.05987	0.5
115.05470	1.0
116.98618	30.9
117.03379	19.2
117.07006	3.3
119.04927	1.0
119.08571	0.7
120.08104	0.5
121.06525	1.9
123.04508	0.6
125.02338	1.7
127.03907	1.8
134.99655	9.4
135.04410	34.0
135.08037	4.9
135.11667	0.5
137.05943	1.7
139.03906	1.6
140.00204	1.4
145.02838	23.2
149.05983	5.5
151.07477	0.7
153.05438	5.1
158.01273	1.2
163.03893	100.0
163.07524	5.1
164.04224	1.4
181.04962	1.6
181.08595	14.1
181.12112	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
54.14388	0.2
55.05510	0.7
56.00680	0.2
56.96566	1.6
57.07077	0.4
63.02393	0.3
65.03938	2.0
67.05498	1.8
68.05840	0.5
69.03426	1.1
69.07063	0.7
69.34011	0.9
70.07388	0.2
71.04961	0.2
77.03927	0.5
79.05492	5.5
79.76627	0.2
81.07049	2.3
82.07381	1.0
83.04969	0.5
83.08620	0.8
85.02895	0.3
89.03912	14.1
91.05471	2.3
93.03404	2.0
93.07034	3.1
94.45575	0.3
95.04968	1.8
95.08601	1.8
96.08942	1.5
97.06509	0.6
98.22703	0.5
98.97581	25.4
99.04471	0.4
100.37151	0.3
105.04535	0.3
105.07015	1.5
107.04948	5.7
107.08591	11.4
109.06528	0.5
109.10148	1.4
110.10493	1.9
111.04449	1.5
116.97773	0.5
116.98619	13.2
117.03375	18.0
119.04910	0.8
119.08536	0.3
121.02872	1.9
121.06494	0.4
121.10146	2.9
123.08067	0.6
123.11699	0.9
124.12032	1.1
125.06046	0.4
125.85342	0.3
134.99663	3.8
135.04408	32.8
135.11716	2.4
137.05977	0.8
139.03889	0.8
140.00171	1.0
145.02846	20.8
145.03870	0.8
145.10110	0.5
149.02357	2.4
149.05948	0.4
151.07472	0.3
153.00731	0.4
153.12698	0.4
155.50388	0.2
158.01227	0.7
163.03894	100.0
163.11130	1.6
164.04237	1.0
167.03432	2.7
180.18256	0.8
181.04939	2.8
181.08546	0.5
181.12244	0.8
186.05524	0.3
190.94371	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0859
Annotation	Massariphenone
Peak:m/z	Relative Intensity
50.42016	0.7
53.03937	1.5
55.01873	3.0
55.05510	2.3
56.96569	8.0
57.03423	2.3
62.43301	0.7
65.03938	2.4
67.05506	10.0
67.48452	0.8
69.03425	2.9
69.07065	8.7
69.58584	1.7
69.58977	1.4
70.76368	0.8
71.01342	2.6
71.04978	2.5
77.03930	2.7
79.05042	1.3
79.05492	22.8
81.03418	8.3
81.07059	15.5
81.12554	0.8
83.01340	2.1
83.04978	1.1
84.74125	0.7
85.02929	3.6
89.03937	5.0
91.05476	20.3
93.07043	32.6
95.01333	5.9
95.04970	15.0
95.08610	3.5
97.02903	2.1
98.97580	100.0
103.05471	1.7
105.04528	1.3
105.07010	4.1
107.04948	22.8
107.08594	8.6
109.02927	0.8
109.06523	7.2
111.04433	1.0
111.08033	0.8
113.02351	4.2
114.26856	0.8
115.05447	3.6
116.98617	50.2
117.03368	7.4
117.07009	14.5
119.04908	1.9
119.08569	5.9
121.02849	1.2
121.06512	3.9
121.10148	1.2
123.04423	2.1
125.02323	5.9
125.06055	1.0
127.03916	5.4
134.99655	13.8
135.03458	1.3
135.04417	14.5
135.08046	21.8
137.05962	3.6
137.09605	1.8
139.03902	3.7
140.00182	3.5
145.02849	8.6
145.06473	1.7
148.65570	0.7
149.05983	9.3
151.07497	2.3
153.05467	18.1
153.09067	2.1
158.01274	2.9
163.03900	33.9
163.07544	17.7
181.05052	5.3
181.08588	61.2
196.55034	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.086
Annotation	10-hydroxy-2E,8E-Decadiene-4,6-diynoic acid
Peak:m/z	Relative Intensity
53.03951	1.6
55.01874	5.1
55.05510	2.3
56.96571	6.2
57.03433	4.1
62.17628	0.8
65.03946	3.5
67.01627	0.8
67.05505	13.8
69.03425	3.6
69.07061	1.7
70.03656	2.1
71.01356	6.8
77.03941	2.9
79.05493	33.7
81.03415	3.4
81.07058	10.7
83.01343	8.4
83.04974	3.4
85.02905	11.9
89.02386	0.8
89.03928	9.4
91.05483	37.5
93.03394	2.4
93.07045	41.4
94.04234	0.8
95.01320	0.8
95.04970	15.2
95.08609	6.3
97.02890	2.2
97.06545	1.2
98.97585	100.0
101.02388	7.8
103.05466	1.8
104.27325	0.7
105.04540	2.1
105.07050	5.5
107.04958	25.1
107.08589	17.5
109.02857	1.2
109.06517	4.1
109.10133	0.9
111.04444	2.2
111.08082	1.0
113.02374	2.1
115.05459	8.7
116.98624	45.7
117.03381	14.9
117.07019	37.1
119.04929	2.8
119.08573	11.1
121.02876	3.2
121.06492	4.3
123.08076	1.2
125.02361	4.7
125.05985	2.1
127.03911	11.6
133.06493	0.9
134.99663	15.2
135.04424	28.0
135.08052	51.7
137.06027	6.4
137.09602	1.1
139.03897	12.6
139.07536	0.8
140.00175	3.2
145.02853	17.2
145.03925	0.8
145.06490	4.2
145.07516	1.2
149.02319	1.0
149.05983	2.1
151.07498	3.7
153.00780	0.9
153.05464	1.8
153.09116	2.7
158.01265	3.4
163.03905	77.7
163.07538	41.2
163.11232	1.2
164.04265	1.4
181.05191	3.5
181.08594	66.5
181.15878	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44779	0.7
53.03936	1.0
55.01877	1.2
55.05497	2.1
56.96556	2.8
57.07077	34.8
59.04980	3.1
62.71796	0.8
64.55408	0.7
67.05485	1.8
69.03416	1.0
69.07056	4.0
69.63067	3.1
77.03931	1.4
79.05486	8.9
81.03408	7.6
81.04202	0.8
81.07055	4.2
83.04983	62.9
84.05296	1.4
87.32111	1.0
91.05471	2.9
92.03278	0.9
93.07048	5.6
95.04969	20.3
97.06533	36.3
98.23470	1.7
98.97585	23.5
105.07070	5.0
107.04955	3.5
107.08604	10.4
115.30601	0.9
116.98631	13.3
117.06981	2.1
119.05989	0.8
119.08572	3.3
121.06510	1.7
121.10140	11.9
122.10452	0.9
123.08057	0.9
125.05994	92.0
130.07780	1.8
134.99664	5.9
135.11681	4.6
140.00192	3.6
145.10141	11.2
145.71536	0.9
158.01237	2.6
163.11183	100.0
164.11571	1.7
168.56813	0.9
181.12228	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
52.44779	0.7
53.03936	1.0
55.01877	1.2
55.05497	2.1
56.96556	2.8
57.07077	34.8
59.04980	3.1
62.71796	0.8
64.55408	0.7
67.05485	1.8
69.03416	1.0
69.07056	4.0
69.63067	3.1
77.03931	1.4
79.05486	8.9
81.03408	7.6
81.04202	0.8
81.07055	4.2
83.04983	62.9
84.05296	1.4
87.32111	1.0
91.05471	2.9
92.03278	0.9
93.07048	5.6
95.04969	20.3
97.06533	36.3
98.23470	1.7
98.97585	23.5
105.07070	5.0
107.04955	3.5
107.08604	10.4
115.30601	0.9
116.98631	13.3
117.06981	2.1
119.05989	0.8
119.08572	3.3
121.06510	1.7
121.10140	11.9
122.10452	0.9
123.08057	0.9
125.05994	92.0
130.07780	1.8
134.99664	5.9
135.11681	4.6
140.00192	3.6
145.10141	11.2
145.71536	0.9
158.01237	2.6
163.11183	100.0
164.11571	1.7
168.56813	0.9
181.12228	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1017
Annotation	GSIR-1
Peak:m/z	Relative Intensity
51.02354	1.3
53.03941	4.7
55.01871	4.2
55.05509	8.7
57.03434	4.9
59.04986	1.7
63.73720	1.2
65.03932	6.0
67.05504	53.9
67.94774	1.3
69.03425	5.1
69.07068	3.4
70.67647	2.0
71.04990	10.2
77.03931	8.5
79.05492	46.4
81.03416	3.8
81.07050	13.6
83.04991	4.4
91.05480	100.0
93.03437	1.7
93.07043	83.9
95.04967	59.1
95.08601	12.4
97.06517	4.4
98.98476	2.5
99.04478	1.4
100.78510	1.1
103.05419	3.0
104.06239	1.2
105.04509	7.4
105.07025	20.2
107.04953	6.5
107.08606	15.8
109.06509	11.4
109.10155	14.8
111.04437	8.7
111.08080	4.9
113.05995	4.6
115.05457	1.8
117.07025	9.6
119.04946	6.0
119.06026	1.4
119.08577	45.7
121.06480	5.7
121.10137	4.2
123.04430	21.5
123.08073	7.9
125.06020	2.9
125.09641	1.6
128.06204	1.4
129.06995	1.8
132.05736	1.7
135.08064	7.6
137.06000	5.6
137.09602	20.6
140.04672	2.3
141.05463	33.0
147.08029	12.8
151.07529	2.5
153.09036	6.4
155.07071	4.3
165.04375	1.9
165.09093	11.5
179.77174	1.4
183.06548	2.1
183.10162	15.4
188.02824	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	0.5
58.99869	0.2
61.02930	0.2
70.17278	0.6
73.92357	0.2
81.97956	0.3
82.99829	4.2
85.02912	0.2
98.22764	0.3
98.97583	0.4
100.02483	0.3
101.00877	45.0
101.97185	0.3
102.00916	1.4
102.96867	0.4
111.00438	0.3
115.05421	0.2
119.01916	100.0
120.02006	3.0
121.02393	0.4
124.02436	3.2
137.02951	20.5
138.03091	0.2
142.03496	23.9
143.01898	1.0
143.03616	1.8
144.03300	0.2
160.04555	5.0
161.02959	13.2
161.04573	1.9
162.03099	0.4
162.04353	0.4
179.04007	14.1
179.05521	0.6
184.04579	0.6
184.12401	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00642	0.2
69.13487	0.2
70.65164	0.3
82.01434	0.2
82.99840	3.4
100.02505	0.4
101.00883	39.3
101.95034	0.2
102.00934	1.2
111.00443	0.2
118.03531	0.2
119.01923	100.0
120.02004	2.8
121.02368	0.4
124.02455	2.9
125.02597	0.2
137.02962	20.9
138.03113	0.4
142.03503	24.9
143.01891	0.3
143.03644	2.0
144.03278	0.1
145.03423	0.2
160.04567	5.4
161.02968	12.2
161.04669	2.5
162.03059	0.2
162.04294	0.3
165.05093	0.3
168.27559	0.1
176.04056	0.3
178.05754	0.1
179.04018	14.1
179.05431	0.5
180.04225	0.2
181.67848	0.1
184.04565	0.3
202.05687	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
56.72057	0.3
70.66456	0.6
81.88468	0.3
82.99842	4.7
88.35004	0.2
90.76334	0.2
101.00882	46.5
102.00938	1.6
119.01923	100.0
120.01974	2.1
121.02433	0.4
124.02453	3.6
137.02965	18.0
138.03062	0.3
141.54623	0.3
142.03503	25.2
143.01912	1.0
143.03630	2.2
159.41527	0.3
160.04572	4.8
161.02957	12.8
161.04689	1.9
179.04021	13.4
179.05655	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40161	0.2
52.96378	0.2
54.05158	0.2
55.01878	0.3
56.96564	0.2
57.03436	0.6
60.08154	1.0
61.02929	0.4
69.03430	0.5
71.16528	0.4
73.02913	1.0
74.29847	0.3
80.04175	0.3
82.99826	3.8
83.99974	0.3
85.02906	0.6
86.09701	0.6
97.02882	0.6
98.97550	0.3
101.00880	40.7
102.00951	1.9
102.96880	0.3
103.00609	0.4
104.10741	8.8
111.02945	0.2
113.00819	0.4
119.01918	100.0
120.01992	2.9
121.02370	0.6
124.02433	2.8
131.01889	0.3
133.01668	0.3
137.02956	19.3
138.03026	0.5
142.03500	23.4
143.01920	2.1
143.03642	2.6
144.02097	0.3
145.01666	0.3
145.03387	0.3
160.04561	5.2
161.02966	14.6
161.04608	3.0
162.03152	0.5
165.05128	0.5
173.03033	0.4
174.03204	0.4
175.02769	0.4
178.76646	0.3
179.04005	13.1
179.05597	0.9
180.04318	0.4
184.04813	0.4
184.06435	3.5
186.03163	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0732
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
60.07878	1.0
60.08162	15.3
60.95850	0.9
71.07372	7.6
86.09705	78.7
98.23515	2.0
98.98464	12.9
101.95011	4.3
101.97231	1.3
102.96868	1.3
104.10764	2.8
119.01895	2.4
119.96046	1.0
120.97894	1.8
125.00002	67.2
137.02972	1.1
143.01109	1.3
143.03732	1.3
152.08308	0.9
161.04723	2.2
184.07341	100.0
188.79349	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0732
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
53.71120	1.0
56.05012	1.3
60.08160	16.5
71.07375	10.1
78.90794	0.9
86.09702	86.7
98.06007	1.2
98.22633	2.4
98.98463	14.4
101.95023	7.0
102.96868	2.8
104.10733	3.2
117.99642	0.9
119.01921	2.3
119.96058	3.4
120.97865	2.0
121.70695	1.1
123.71037	0.9
124.99998	69.4
137.97105	1.6
143.03618	1.6
149.07094	0.9
161.04645	1.8
184.07339	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0732
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05036	1.7
60.08161	15.7
69.12099	4.1
69.12526	1.4
71.07368	7.4
86.09707	79.5
87.09969	1.0
90.80275	0.8
98.98463	11.5
101.00869	0.8
101.95024	7.0
101.97182	0.8
102.96851	2.8
104.10741	3.8
119.01933	1.2
119.96083	2.2
120.97900	1.7
125.00002	60.7
126.20988	0.7
129.34340	0.7
137.97098	1.2
160.98624	0.8
161.00975	0.7
161.04738	1.7
166.02579	0.7
179.05727	0.8
184.07343	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1173
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.03973	0.7
53.16027	0.6
53.57274	0.5
55.01873	0.7
55.05510	3.5
57.03435	6.0
57.07070	1.5
59.04996	0.8
65.03949	0.7
67.05503	10.2
67.88871	0.6
69.03446	0.6
69.07068	7.4
69.27909	3.1
69.28307	1.3
71.04990	2.0
73.02936	0.7
77.03914	1.0
79.05492	24.3
81.07054	100.0
83.04983	1.0
86.70078	0.6
87.04465	1.0
91.05495	4.4
93.07043	42.6
95.04976	3.1
95.08605	19.6
97.06526	5.8
97.71184	0.6
98.22763	1.3
102.96868	2.2
105.07024	4.5
107.04939	1.3
107.06054	1.2
107.08604	4.5
109.06464	0.7
109.10159	11.7
111.08084	4.6
111.11715	0.8
116.06272	0.9
119.08592	0.8
120.97921	1.2
121.06490	1.9
121.07658	1.7
121.10141	48.1
123.11700	12.3
125.05975	10.4
125.09585	1.2
131.08560	1.8
137.07050	0.6
137.09692	0.7
139.07532	0.7
139.11179	18.1
149.07095	2.4
149.09633	6.2
155.10585	0.7
167.08145	0.8
167.10672	12.3
167.12024	1.2
185.05898	0.9
185.09268	1.3
185.11731	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	185.1174
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.79537	0.8
55.05508	2.0
57.03428	2.1
59.04982	1.2
61.27250	1.1
63.42989	0.8
67.05511	10.8
69.03415	1.3
69.07070	7.4
79.05499	24.2
81.07059	20.7
83.04989	3.6
85.06540	4.2
91.05486	4.1
93.07049	49.5
95.04979	1.1
95.08614	10.5
97.06525	4.1
98.22626	1.9
102.30455	0.8
102.96863	1.6
105.07030	8.9
107.04940	1.6
107.08601	24.1
107.09338	1.1
109.10125	2.5
111.04439	10.9
111.08022	1.3
111.11729	5.1
114.67830	0.9
119.08600	1.4
120.97928	1.6
121.10152	75.7
123.11702	4.7
125.05982	9.3
131.08606	4.8
137.09811	0.9
139.11179	32.7
141.25856	0.8
142.20515	0.8
149.07117	1.5
149.09628	18.1
149.49950	1.0
167.10686	100.0
168.11000	1.7
185.11749	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	185.1173
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.03954	2.9
55.01857	4.0
55.05506	7.9
57.03431	5.8
59.04980	2.3
64.85718	1.9
65.03951	4.5
67.05502	19.0
69.03423	4.6
69.07072	13.8
69.91186	2.1
70.45873	3.6
71.04997	5.7
79.05493	38.6
81.07057	28.1
83.04990	4.7
85.06561	3.6
90.69353	2.1
91.05477	30.5
93.07043	100.0
95.04948	12.0
95.08601	67.8
97.02872	3.4
97.06532	19.4
102.85435	2.4
102.96877	7.1
105.04522	3.2
105.07037	16.5
107.04956	5.4
107.06089	2.4
107.08567	20.3
109.06493	2.7
109.10142	10.6
111.08092	11.0
113.06056	2.8
116.06233	6.2
117.03364	2.3
119.06007	2.1
119.08570	6.9
121.06538	6.4
121.07658	5.6
121.10142	62.6
121.10998	4.7
123.08069	4.7
123.11659	5.0
125.05987	7.4
129.07002	4.9
131.08569	26.9
137.09625	16.5
139.11182	7.5
143.07057	9.8
146.93599	2.3
149.07111	5.8
149.09612	27.0
167.08133	2.1
167.10663	13.6
168.52461	2.7
185.09290	3.8
185.11746	5.3
186.51289	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	187.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57639	2.5
55.05511	19.3
57.07070	6.8
67.05505	27.6
69.03430	3.8
69.07069	4.8
70.09715	3.0
70.10027	4.4
71.04991	9.5
79.05482	7.9
81.07060	100.0
83.08605	3.7
85.06535	7.5
88.02200	9.6
91.05484	9.9
93.07040	10.9
95.04964	9.0
95.08599	23.3
97.10181	13.2
98.23533	3.0
99.08067	3.5
105.07020	10.8
105.66940	3.3
107.08585	5.5
109.06502	4.0
109.10185	5.1
111.08121	4.0
115.05434	6.2
116.06245	3.6
117.07008	4.9
119.08564	4.6
123.11708	54.9
129.06996	10.2
131.04924	3.8
131.08560	13.6
133.10136	4.0
141.06992	4.8
143.08571	4.0
144.05725	20.2
144.09319	7.5
145.06503	3.8
145.10124	11.3
151.11127	6.0
154.07777	4.2
157.06473	10.8
159.06961	6.3
159.08073	23.9
159.11693	9.2
169.10005	2.8
171.07988	3.9
172.05157	17.1
172.08809	28.2
187.03966	4.5
187.05981	5.3
187.07553	61.9
187.11159	20.4
187.14818	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	188.0708
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
53.49663	0.4
56.96561	0.5
57.46518	0.4
57.88984	0.4
69.46117	1.3
71.05000	0.4
88.02196	0.4
91.05489	3.4
101.06001	0.4
115.05454	5.3
116.04998	0.4
117.05724	0.9
117.07017	3.6
118.06541	64.4
125.65519	0.4
128.07092	0.6
132.08076	0.9
142.06528	5.7
143.07310	10.8
144.04482	0.8
144.08086	22.0
146.06004	100.0
146.91881	1.0
147.06371	0.9
155.06021	1.2
160.07556	1.0
170.06020	8.6
188.07069	25.9
188.08891	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.5
57.07064	1.1
57.49395	0.3
70.78659	0.4
72.04529	0.4
77.21139	0.3
82.06496	0.3
86.06080	0.8
86.09702	100.0
87.10042	0.4
105.07003	0.5
114.68661	0.3
116.10710	0.5
118.06564	0.5
119.08614	0.5
128.10713	40.6
142.12256	0.5
146.06059	0.4
146.11751	18.4
153.58356	0.3
161.05969	0.3
170.11757	25.2
171.12050	0.4
174.06799	0.6
188.07083	0.6
188.12798	2.5
189.09129	0.9
189.12781	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02168	0.6
55.01871	51.3
55.05511	2.3
56.02652	1.2
56.96561	2.5
57.03435	66.2
59.05000	6.8
60.08160	7.7
61.02923	3.3
67.05498	1.9
69.03424	2.2
70.06596	2.3
71.01351	38.1
71.04989	7.2
72.07738	1.0
72.08148	20.7
73.02913	21.7
75.04470	4.0
78.79672	0.8
81.07064	1.0
83.01338	10.9
83.04976	1.3
84.04503	1.2
84.08138	21.1
84.99271	0.8
85.02913	4.8
86.09699	4.6
87.00821	2.4
87.04464	49.0
89.02395	9.1
95.01317	8.6
97.02882	5.4
98.97585	5.7
99.00811	0.9
99.04446	1.0
101.02374	99.9
102.09164	0.7
103.03930	7.5
106.96554	1.0
111.00797	6.8
113.02371	6.4
115.03925	100.0
116.04240	0.8
116.98625	2.8
117.01868	2.0
118.08652	2.6
119.01921	2.8
126.09132	1.1
127.03921	3.2
128.07083	0.7
129.01836	20.9
129.06613	2.6
130.05014	1.5
130.08624	10.5
131.01831	0.8
131.03395	2.9
133.04977	1.0
134.11467	0.7
134.99643	1.6
139.00195	1.1
141.01825	3.1
143.01898	0.9
143.02293	1.1
143.03386	8.3
144.10228	0.9
144.13834	1.6
145.03412	0.9
147.05014	0.9
149.01210	0.8
157.01317	92.6
159.02852	0.7
161.03012	1.3
161.04401	1.0
168.03558	0.8
171.02893	0.8
175.02364	6.5
177.00778	0.7
178.05000	1.2
189.03928	5.3
189.05659	1.9
189.12392	1.1
189.15950	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96870	0.6
55.05500	2.7
58.61818	0.6
67.05495	2.1
69.03423	6.6
69.07055	1.6
70.76778	0.8
79.05479	2.4
81.07063	3.1
82.81750	0.8
83.04958	1.5
84.55960	0.7
91.05478	5.3
93.07027	2.5
95.04938	2.1
95.08627	0.7
103.05436	0.7
105.06351	1.1
105.07025	15.2
107.04980	1.2
107.08562	2.5
109.06508	1.1
115.05418	0.8
117.07014	2.5
119.04900	1.0
119.08577	29.3
119.09428	1.6
121.06502	1.3
121.10124	1.2
128.06227	2.4
129.06995	2.1
130.07756	1.6
131.08548	7.2
133.06461	2.8
133.10121	11.4
135.08035	3.4
141.06964	4.1
143.08568	5.0
145.06485	1.9
145.10124	8.9
146.10889	1.8
147.08034	13.8
147.09152	1.3
147.11679	18.5
155.08510	1.3
156.09343	22.7
159.08034	11.8
159.11687	5.5
160.08861	5.0
161.09613	6.4
161.13251	16.8
171.11681	25.9
174.10397	22.7
189.12738	100.0
190.13028	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.5
65.60249	1.2
67.05505	1.8
68.55552	1.3
68.63667	1.6
69.03419	3.2
69.07058	2.4
69.47266	5.2
69.47620	2.0
79.05500	2.7
81.07015	2.4
91.05457	7.7
93.07028	3.6
95.04935	1.3
98.22672	2.8
105.07029	14.9
107.08594	3.1
115.05457	1.6
117.06956	3.8
118.08577	1.4
119.08581	20.9
128.06224	4.7
129.07013	5.5
130.07755	3.2
131.08586	7.1
133.06471	4.6
133.10109	6.0
141.07005	6.8
143.08553	5.3
144.09370	2.1
145.06496	1.7
145.10120	18.7
146.07285	1.5
147.08005	7.7
147.11690	24.3
155.08484	1.5
156.09343	41.5
159.08047	7.6
159.11722	6.8
161.09608	5.9
161.13202	4.1
169.21497	1.5
171.11688	45.3
174.06737	2.6
174.10391	12.4
189.09157	11.3
189.12741	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1486
Annotation	2,6-Dimethyl-7-octene-2,3,6-triol
Peak:m/z	Relative Intensity
54.06237	0.9
55.05515	4.5
57.07073	5.5
63.70434	0.8
67.05501	6.1
69.07065	8.8
70.93366	1.6
71.04977	1.4
78.72279	1.1
79.05477	3.4
81.07051	9.0
83.08612	2.3
85.06541	100.0
86.09703	5.9
91.05464	2.6
93.07037	9.4
95.05007	0.9
95.08596	3.4
97.06531	18.6
99.08084	2.5
103.07570	3.2
103.22898	1.1
105.07022	3.6
107.08569	9.4
109.10154	6.4
111.08046	2.3
119.08573	3.9
123.11687	1.9
128.06219	1.9
129.07008	5.7
131.08545	1.6
132.10229	1.9
133.10144	1.8
135.11696	4.5
143.08557	2.4
143.11807	2.4
145.10117	1.9
147.08078	1.4
147.11674	2.4
153.12741	5.7
156.09334	2.1
157.06485	3.0
159.08018	0.9
161.06067	1.0
161.09641	1.0
161.13214	2.0
170.29901	1.0
171.11751	1.4
171.13739	2.2
174.06808	1.5
184.95879	0.9
189.05423	1.9
189.09090	4.0
189.12688	6.6
189.16376	1.6
198.06325	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05499	2.8
56.37292	0.8
57.03418	2.6
57.07070	2.2
59.04997	3.0
62.61545	0.9
63.93002	0.8
65.03918	1.3
65.10984	0.9
67.05499	4.3
69.03424	2.5
69.07063	6.8
69.78788	3.1
71.04975	3.2
71.05341	0.9
79.05494	7.8
81.07059	6.7
83.04968	3.0
83.08601	3.8
85.06540	2.4
87.12839	1.0
91.05476	16.7
93.07047	12.7
95.04966	3.6
95.08602	8.0
97.06534	6.0
98.22723	1.5
103.05447	3.1
105.07027	40.1
107.08595	38.5
107.09157	0.7
107.09341	1.1
109.06533	6.3
109.10152	7.6
111.08105	1.2
115.05469	1.0
117.07023	4.7
119.08576	24.4
121.06480	2.6
121.10138	24.1
123.08054	3.3
123.11694	3.1
129.06987	3.8
130.07797	1.3
131.04935	1.0
131.08566	35.5
133.10126	100.0
135.08046	11.7
135.11688	5.4
141.85170	0.8
143.08556	6.8
144.09348	4.1
145.10110	19.8
147.10548	1.5
147.11671	13.1
148.12486	1.3
149.09647	5.2
149.13254	28.1
158.10898	17.8
163.11201	2.6
163.14771	5.2
171.11758	1.2
173.13254	67.5
191.07056	1.7
191.14304	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.8
55.05500	8.5
56.53185	1.8
57.03446	2.7
57.07074	5.0
59.05006	3.1
67.05508	13.6
69.03431	15.8
69.07081	16.8
69.73327	4.7
69.73710	3.6
71.04996	4.5
77.03926	3.8
79.05499	49.7
81.07058	12.7
83.04969	8.5
83.08612	2.6
85.06531	6.2
91.05488	39.3
93.07046	21.3
95.04970	13.3
95.08603	13.3
96.07885	2.0
97.06530	8.9
97.20828	1.8
98.23410	2.9
99.08075	6.0
103.05476	11.7
105.03372	4.2
105.07034	50.4
107.04976	4.4
107.08598	64.0
109.06522	8.5
109.10194	13.1
111.08076	2.5
115.05466	3.2
116.06255	2.5
117.07027	14.5
119.06059	2.4
119.08582	42.5
121.06525	7.3
121.10149	42.4
123.04457	2.8
123.08067	6.8
128.06171	3.4
129.06976	12.6
130.07813	6.3
131.04927	11.4
131.08572	74.5
133.06538	2.1
133.10132	68.4
133.11151	3.4
135.04457	2.2
135.08084	23.1
135.11679	7.7
137.09650	2.6
141.59349	2.4
143.08557	21.4
144.09354	5.5
145.10124	45.0
147.11684	26.6
149.01167	2.0
149.09607	14.1
149.13269	20.9
151.03909	27.5
158.10925	22.3
158.73491	2.0
159.04442	5.1
160.49550	1.9
163.07605	5.7
163.11188	4.7
163.14772	11.2
173.13264	65.3
191.03387	3.9
191.07068	7.6
191.10550	11.8
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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.50142	1.0
53.06152	1.0
55.05494	4.3
57.03418	2.4
57.07064	1.3
59.04988	2.6
67.05502	5.2
69.03413	3.9
69.07072	6.8
69.94822	2.2
69.95188	2.1
71.05001	1.9
77.40229	1.0
77.40761	1.0
79.05495	6.4
81.07056	7.4
83.04957	2.3
83.08622	2.7
85.06544	2.9
91.05479	13.9
93.07043	13.0
95.04951	2.4
95.08614	9.3
96.87225	1.1
97.06538	6.5
98.22751	1.1
99.50771	0.9
102.06953	0.9
103.05463	2.0
105.07025	36.9
107.08588	28.7
109.06511	6.1
109.10136	7.1
109.23779	1.0
111.08059	1.1
115.05466	1.8
117.06998	5.5
119.08571	17.6
121.06509	5.4
121.10137	17.3
122.85886	1.1
123.08067	5.5
129.07002	4.6
130.07782	1.2
131.04904	1.0
131.07549	1.1
131.08563	41.9
133.10124	100.0
135.08073	12.7
135.11688	2.8
143.08551	6.2
144.09340	2.4
145.10127	19.7
147.08044	1.2
147.11667	11.4
149.09590	8.6
149.13242	22.3
158.10933	14.5
161.09563	1.2
163.14809	5.3
171.11591	1.6
173.13257	59.9
191.07132	1.5
191.14302	52.9
191.83932	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01862	1.3
55.05509	4.3
57.03435	0.9
57.07067	1.4
59.04990	0.7
61.75932	0.4
63.50874	0.4
65.50548	0.5
67.05492	2.9
69.03064	0.8
69.03429	13.8
69.07070	6.5
69.45930	1.1
71.04990	0.7
72.75948	0.5
74.55245	0.4
77.03917	0.6
79.05499	4.3
80.24646	0.5
81.07058	3.3
83.04982	12.5
83.08624	2.1
85.06535	1.3
91.05493	5.8
93.07044	6.6
93.18414	0.4
95.04978	1.3
95.08598	4.0
97.06512	1.7
103.05458	2.0
105.07027	8.3
107.04944	1.2
107.08595	24.8
109.06535	2.7
109.10171	1.6
111.08082	0.7
115.05418	0.6
117.07011	1.7
119.08586	7.1
121.06500	6.4
121.10142	10.4
123.08073	2.0
129.07025	1.4
131.04909	2.1
131.08568	10.7
133.06487	0.9
133.10130	14.0
135.08052	13.7
135.11739	2.3
136.08841	1.0
137.09654	0.7
143.08569	3.5
144.09363	1.0
145.10126	5.8
147.11687	6.7
148.08780	0.7
149.09589	4.9
149.13246	5.9
149.18117	0.6
158.10910	7.4
159.04420	1.0
161.09624	5.0
163.14819	1.8
173.13260	14.3
176.04518	0.5
176.11995	2.7
191.14308	100.0
192.14697	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93825	0.4
53.03934	0.8
55.05513	4.0
57.03447	0.8
57.07074	1.0
57.65931	0.4
62.78407	0.4
65.03943	0.5
67.05503	3.4
69.03426	10.3
69.07072	5.3
69.22289	1.2
69.22669	1.1
71.04977	0.5
79.05495	7.3
81.07061	6.4
83.04982	4.5
83.08601	0.9
91.05484	5.7
93.07043	6.8
95.04964	1.2
95.08614	3.7
97.06539	0.9
103.05478	2.6
105.07029	10.3
107.04956	5.0
107.08595	20.9
109.06500	1.7
109.10151	7.2
115.05463	1.0
116.06205	0.5
117.07020	1.4
119.06077	0.9
119.08581	4.1
121.06518	2.9
121.10145	14.2
121.10989	1.0
122.07285	1.8
123.08036	2.3
131.04941	2.6
131.08571	8.2
133.10124	100.0
134.10451	1.0
135.08052	5.7
135.11673	2.9
136.08846	0.5
137.09615	15.8
143.08566	2.2
144.09300	0.6
145.10114	3.6
147.11679	4.0
148.05200	0.9
149.09616	4.2
149.13257	13.3
158.10905	4.3
161.09647	0.6
163.07526	1.2
163.14844	2.9
173.11838	1.0
173.13255	13.7
176.11923	0.5
191.07021	1.3
191.14302	35.9
192.14560	0.6
197.45128	0.4
199.86154	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05507	2.6
57.03429	0.7
57.07071	1.0
65.63118	0.4
67.05508	3.1
69.03435	7.4
69.07073	3.6
69.25417	2.6
71.04977	0.5
71.12714	0.5
71.96993	0.4
72.75821	0.4
79.05501	5.1
81.07065	5.1
83.04969	1.8
83.08621	0.6
85.06564	0.4
91.05481	5.1
93.07056	4.9
95.08590	2.4
105.07027	9.7
107.04958	2.9
107.08594	16.4
109.06519	2.0
109.10157	7.1
115.05464	0.8
117.07003	1.7
119.08564	3.3
121.06507	2.1
121.10150	13.0
122.07288	2.1
123.08095	1.4
131.04924	0.5
131.08565	5.2
133.10129	100.0
134.10455	0.8
135.08044	3.9
135.11710	2.2
137.09618	16.1
143.08568	1.1
145.10153	3.0
147.11693	2.1
149.09622	1.8
149.13257	10.7
158.10880	2.9
163.14806	2.2
173.06046	0.9
173.13258	10.2
189.89796	0.5
191.07104	0.8
191.10722	0.9
191.14311	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	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.2
55.05516	5.9
57.03426	1.1
57.07073	1.7
57.15105	0.7
59.05011	1.3
67.05201	0.8
67.05507	7.7
69.03428	15.0
69.07069	10.3
69.20775	4.3
71.04969	1.7
74.30452	0.6
79.05492	7.1
81.07056	12.7
83.04974	8.9
83.08617	2.9
85.06576	1.3
91.05473	8.0
93.07046	11.7
95.04967	10.9
95.08602	14.3
97.06525	6.0
103.05469	3.9
105.00146	0.8
105.07034	12.3
107.04942	3.4
107.08590	35.3
109.06506	6.2
109.10155	4.5
111.08072	1.9
115.05425	1.4
116.06250	0.9
117.07034	3.5
118.04202	0.9
119.06091	0.8
119.08600	7.6
121.06495	17.1
121.10138	27.4
122.07310	1.0
123.08045	3.8
129.06996	2.0
131.04912	3.2
131.08565	12.7
133.06519	1.7
133.10121	39.0
135.08052	15.3
135.11693	6.8
137.09622	6.2
143.08553	3.3
144.09358	1.1
145.10133	9.1
147.08025	2.7
147.11676	14.4
148.08844	2.9
149.09604	13.7
149.13260	14.2
158.10899	6.5
159.04453	0.8
161.09593	1.6
163.07518	1.9
163.11166	2.4
163.14822	8.7
171.11687	1.0
173.09622	0.7
173.13261	24.6
176.11998	1.3
182.05573	0.8
191.06976	3.1
191.10655	2.3
191.14299	100.0
192.14571	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.52346	0.6
53.03946	0.6
55.01867	2.6
55.05507	2.5
57.97775	0.6
67.05497	5.3
69.03390	1.0
69.07073	2.0
69.27357	3.7
77.03913	1.2
78.13312	0.7
79.05486	12.9
81.03406	2.1
81.07070	4.4
83.04978	3.2
83.08595	1.2
83.24290	0.6
85.06576	0.8
90.04692	2.0
91.05482	7.8
93.07046	6.1
95.04969	13.2
95.08603	8.2
101.03188	0.7
103.05462	13.9
105.03410	0.9
105.07025	92.8
107.04951	1.9
107.08572	6.3
109.06500	3.9
109.10152	10.0
111.08053	1.2
115.05446	20.2
118.04153	11.4
119.08590	11.5
121.06517	1.6
121.10132	3.9
122.07294	1.0
123.04416	2.3
123.08051	4.1
123.11717	1.6
131.04932	3.2
131.08574	1.3
132.05696	1.4
133.06485	88.8
133.10127	10.9
134.43047	0.8
135.04454	0.8
135.08072	1.7
135.11697	9.5
137.05952	1.0
137.09593	4.3
143.04950	1.3
143.06023	9.4
147.04472	1.2
147.07983	0.8
147.11676	3.6
149.05994	1.6
149.09599	0.8
149.13188	1.8
150.06772	5.0
151.03909	4.4
151.11168	2.1
151.14844	1.9
157.10086	0.7
161.05971	100.0
162.06316	0.8
165.09100	3.7
165.16389	0.9
175.11134	1.8
175.14809	5.7
177.43677	0.7
178.06262	1.5
193.04941	1.5
193.08597	17.3
193.12186	2.9
193.15898	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	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02367	0.9
52.41967	0.9
53.03942	2.0
55.01867	4.6
55.05513	11.7
57.03433	1.7
57.07064	1.8
59.04996	1.5
65.03926	1.8
67.05160	1.3
67.05506	22.4
67.05862	1.3
69.03439	5.0
69.07068	10.9
71.04996	7.9
77.03940	2.4
79.05492	26.6
81.03417	19.4
81.07059	27.5
83.04980	15.4
83.08620	5.9
85.06533	3.0
87.04463	0.9
91.05479	36.9
93.06439	1.4
93.07047	37.5
95.04971	38.1
95.08020	1.5
95.08604	20.9
97.02928	1.5
97.06532	14.8
97.10160	1.2
99.04443	2.7
99.08124	1.4
103.05460	6.3
104.06237	0.8
105.04517	3.2
105.07029	100.0
107.04945	4.9
107.08593	28.6
108.22577	0.8
109.05772	1.0
109.06517	15.6
109.10152	15.4
111.00764	0.7
111.04468	1.0
111.08115	3.7
113.06052	0.8
115.05451	10.4
117.07015	5.0
118.04169	3.3
119.04922	2.1
119.06052	1.0
119.08582	44.9
121.06506	6.9
121.10146	11.4
123.04420	4.0
123.08066	12.5
123.11707	4.0
125.05968	0.9
127.07561	2.6
129.07005	6.2
131.04926	2.0
131.08562	10.1
133.06497	40.2
133.10127	79.6
135.08052	25.2
135.11691	15.0
137.05971	3.3
137.09602	8.8
137.13226	1.0
142.07780	4.1
143.06032	3.2
145.10127	2.9
147.04375	1.2
147.08026	4.9
147.11684	65.5
148.12012	1.1
149.02373	0.9
149.09607	9.9
149.13210	4.1
150.06699	0.9
151.03894	6.9
151.11205	7.7
151.14841	1.1
157.10135	12.7
160.08817	1.1
161.05981	45.1
163.11177	1.2
165.05562	1.1
165.09106	1.4
165.12761	16.4
165.16229	0.8
175.11197	36.2
175.14812	14.3
193.04951	3.1
193.08580	13.0
193.12247	45.9
193.15883	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02383	1.5
53.03937	5.9
54.78252	1.4
55.01863	6.5
55.05513	13.5
56.21121	1.2
57.03439	94.9
59.04993	5.0
61.13395	1.2
65.03941	5.2
65.90297	1.5
67.05156	2.5
67.05502	32.9
69.03425	5.5
69.07069	5.1
71.04983	2.8
75.04467	3.7
77.03940	2.3
79.05497	31.1
79.21560	1.5
81.03419	97.1
81.07062	23.1
83.04972	5.3
83.08617	11.9
85.06532	9.3
87.04472	1.7
91.05481	76.4
92.05795	1.6
93.07045	72.7
93.31145	1.2
95.04970	53.9
95.08593	7.1
97.06522	5.7
99.08117	2.3
99.85515	1.2
103.05460	4.8
105.04508	6.3
105.07034	60.8
107.04951	12.2
107.08597	11.2
109.06509	10.0
109.10166	12.5
111.08109	4.0
115.05453	6.1
117.07010	12.6
119.04916	1.4
119.08581	100.0
121.06509	63.6
121.10127	5.1
123.08101	2.0
123.11678	1.6
128.06229	2.4
129.07008	12.5
131.04921	2.0
131.08600	11.1
133.06503	20.2
133.09177	2.5
133.10132	38.2
135.08047	6.0
135.11655	2.9
137.09616	30.3
141.07030	2.3
142.07767	8.7
145.06482	4.1
145.10115	2.5
146.07253	15.6
147.08049	38.1
147.11682	52.4
149.09633	4.1
149.13303	2.5
155.08472	1.8
157.10141	15.9
160.08804	7.0
161.06012	7.4
173.09674	1.7
175.11188	54.6
193.04980	3.2
193.08524	2.7
193.12245	22.3
193.14006	2.4
193.15891	2.3
194.15471	3.7
194.24672	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02375	1.0
53.03940	6.5
55.01862	6.9
55.05504	12.1
57.03419	4.2
59.04990	1.1
65.03938	2.3
67.05502	42.3
69.03410	4.3
69.07059	9.0
71.04984	6.8
71.24614	1.2
71.31733	1.0
77.03928	3.8
79.05486	50.0
81.03412	100.0
81.07053	29.0
83.04976	7.2
83.08610	11.2
85.02864	1.3
85.06512	3.6
91.05475	84.9
93.06441	1.9
93.07037	45.7
95.04962	48.8
95.08595	5.2
97.02876	2.9
97.06518	7.4
97.10139	1.3
99.08089	2.4
103.05429	2.8
104.35548	1.0
105.04497	3.5
105.07028	56.0
107.04951	13.1
107.08595	7.8
109.06509	8.1
109.10120	1.9
111.04398	2.2
111.08079	3.7
113.06023	2.0
115.05451	5.6
116.06167	1.8
117.06994	3.6
118.04125	0.9
119.04897	1.7
119.08576	26.3
121.06494	2.6
121.10144	6.7
123.08082	2.0
123.11700	1.3
128.06210	2.7
129.06085	1.8
129.06998	23.4
131.08556	24.9
133.06485	16.4
133.10123	93.6
135.11690	1.2
137.09619	2.3
142.07758	6.2
145.10052	1.6
147.08044	7.9
147.11673	31.1
149.09613	27.1
149.13263	0.9
151.11215	1.4
157.10118	33.8
161.05969	11.3
165.12753	2.7
175.11168	43.1
175.14720	1.6
193.04872	1.6
193.08589	2.7
193.12227	40.2
193.15897	2.8
194.88501	1.0
214.47778	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.03959	0.9
55.01882	0.9
55.05511	14.1
57.03430	1.0
57.07078	5.3
59.05015	2.8
60.31734	0.6
65.03950	0.8
67.05505	18.2
69.03432	10.8
69.06704	1.1
69.07069	15.0
69.23022	2.1
69.23431	1.3
71.04984	3.6
71.08616	0.7
77.03880	0.8
79.05486	6.2
81.03406	0.8
81.07057	25.6
83.04980	16.9
83.08183	1.0
83.08624	9.8
85.06538	3.6
87.08128	0.7
91.05481	8.5
93.07044	15.9
95.04967	4.3
95.08605	50.6
97.06532	3.4
97.10152	2.3
99.08099	2.4
105.07030	20.1
107.02248	0.6
107.08594	41.2
109.06517	14.1
109.07215	1.1
109.10155	65.6
111.08089	7.0
115.05450	1.1
117.07014	2.2
119.08582	53.4
120.09363	0.9
121.10145	25.5
123.04411	0.9
123.08069	32.7
123.11698	9.6
125.09644	1.8
131.08614	1.0
133.06535	4.1
133.07455	0.9
133.10127	37.4
135.11691	100.0
136.12042	0.9
137.09612	25.6
137.13210	0.8
138.10408	4.3
139.11198	1.1
145.10107	1.0
147.04358	0.8
147.11691	4.6
149.13258	17.1
151.03865	0.9
151.11179	9.0
151.14810	9.0
161.05989	4.9
165.07031	0.6
165.12796	1.1
165.16399	2.7
175.14819	45.3
176.74849	0.6
193.08688	1.2
193.15880	78.8
194.16260	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
55.05262	1.0
55.05511	15.2
57.03409	1.5
57.07057	3.9
59.04992	2.5
64.95648	1.0
67.05505	19.4
69.03423	7.1
69.07056	16.6
69.84254	0.9
70.73829	1.2
71.04974	3.0
71.08622	1.1
79.05083	1.0
79.05473	6.1
79.19305	1.0
79.27794	1.1
81.07047	24.9
83.04971	15.7
83.08615	10.0
85.06523	4.1
88.99303	1.2
91.05486	9.9
93.07040	20.4
95.04971	4.5
95.08602	50.3
97.06508	2.9
97.10155	2.4
99.08069	1.6
103.07922	1.1
105.07034	20.2
105.07725	1.8
107.07843	1.7
107.08585	48.3
109.06526	13.4
109.10150	68.0
111.08080	7.9
113.78264	1.1
115.05498	1.3
117.06996	1.2
119.08570	59.1
120.09287	1.1
121.10134	29.5
123.08057	30.0
123.11672	9.8
125.09579	1.5
133.06436	2.0
133.10118	43.7
135.11684	100.0
137.09601	22.0
137.13197	1.7
138.10393	2.4
145.10159	1.7
147.11661	3.9
149.13255	18.8
151.11169	10.4
151.14816	7.3
161.05960	3.5
165.16374	2.6
175.14822	45.0
175.16360	2.5
193.08646	2.4
193.15869	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	193.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90530	1.2
55.01845	1.5
55.05510	13.4
57.03416	1.9
57.07065	5.4
59.05010	2.9
67.05202	1.9
67.05504	19.7
69.03430	7.3
69.07066	18.0
70.00755	3.1
70.01083	2.4
71.04986	4.0
71.32027	1.2
79.05495	8.2
81.03411	6.0
81.07052	25.4
82.14616	1.2
83.04983	16.4
83.08615	10.4
85.06548	5.0
91.05470	9.6
93.07046	22.8
95.04962	3.8
95.08603	49.8
97.06529	2.4
97.10171	2.3
103.05443	2.6
105.07037	21.6
107.08590	40.4
109.06521	11.8
109.10155	63.8
111.08054	9.0
115.05438	1.9
117.06979	2.3
118.04190	1.5
119.06015	1.4
119.08577	56.1
121.10143	23.5
123.08058	25.8
123.11691	9.3
125.09631	2.2
131.08595	1.5
133.06490	10.2
133.09167	2.7
133.10124	34.6
135.11687	100.0
137.09612	19.9
138.10371	3.4
143.06071	1.5
147.11693	4.1
149.13245	18.9
151.11211	7.0
151.14806	6.6
161.05972	11.9
162.59267	1.4
165.16310	3.8
175.14812	40.1
193.08472	2.7
193.14066	3.0
193.15875	59.6
196.26755	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03937	2.5
55.01865	4.1
55.05262	2.6
55.05513	39.0
57.03429	4.1
57.07076	6.8
59.04992	5.1
67.05158	2.5
67.05505	36.0
69.03419	3.5
69.07070	19.1
69.07441	1.9
71.04988	3.8
71.08627	2.7
73.06555	1.4
79.05497	18.7
81.03426	22.1
81.07059	37.8
83.04979	19.0
83.08623	13.3
85.06540	20.6
85.10170	1.8
91.05473	16.8
93.07046	21.9
95.04967	19.4
95.08605	51.4
97.02856	1.5
97.06550	6.0
97.10186	7.7
99.06775	1.3
99.08092	40.9
103.05473	11.6
105.07029	89.0
106.07350	1.3
107.04958	3.1
107.08589	31.0
109.06521	12.8
109.10156	69.4
111.08080	7.4
115.05447	16.9
118.04174	8.2
119.08582	32.8
121.06470	1.6
121.10146	66.1
122.07290	4.1
123.04500	1.7
123.08073	18.1
123.11701	22.3
125.09639	1.8
129.06963	1.7
131.04892	2.6
131.08583	3.6
132.05710	1.6
133.06490	66.8
133.10126	67.7
135.08095	2.0
135.11688	44.3
137.09615	54.9
137.13211	7.0
137.42076	1.4
138.10434	1.5
143.05009	2.2
143.06001	6.8
147.08026	1.8
147.11679	9.8
149.09583	3.7
149.13269	8.0
151.03842	3.2
151.11208	9.2
151.14824	14.1
157.10181	1.5
161.05980	80.5
165.16393	20.1
175.11208	3.2
175.14821	32.9
193.04933	4.3
193.08611	22.6
193.10258	1.9
193.12233	5.3
193.15883	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
51.02376	1.2
53.03947	4.8
53.04168	0.8
53.79004	0.9
55.01860	2.8
55.05504	1.5
65.03939	1.7
67.05502	6.5
68.15939	0.8
69.03426	3.3
69.07074	1.1
70.29646	0.8
71.01346	3.6
73.02914	2.0
77.03925	6.0
79.05491	19.1
81.03414	4.8
81.07070	4.5
91.05476	9.9
93.03404	1.1
93.07041	9.8
95.04964	100.0
95.08590	1.9
97.02882	9.6
97.06522	1.5
98.23521	1.7
103.05467	13.5
105.03345	1.6
105.04499	6.6
105.07031	2.5
107.04953	44.5
107.08576	1.5
109.02876	85.2
109.06490	2.5
109.10134	1.1
113.02426	1.0
117.60723	0.8
121.06504	16.7
121.10136	3.1
123.04427	16.4
125.02347	11.7
125.05984	9.5
127.03867	4.5
130.29617	0.9
131.04913	7.8
133.02859	1.4
135.04410	7.6
135.08025	1.3
135.11702	1.0
143.37486	0.9
145.02872	1.6
147.04399	0.9
149.05981	20.1
151.03900	45.3
153.05464	12.3
159.04448	4.6
163.03918	2.5
167.03391	1.8
167.07019	1.9
177.05443	20.0
177.16338	1.4
182.24382	0.9
183.36906	0.8
184.79028	0.9
195.06540	7.0
195.08238	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	Enalin A
Peak:m/z	Relative Intensity
51.02371	1.7
52.52858	0.7
53.03946	5.8
55.01869	13.0
55.05511	2.0
63.93264	0.9
65.03945	1.9
67.05502	13.2
69.03429	3.7
70.91258	1.4
71.01346	5.4
72.59312	0.9
73.02924	1.5
73.05196	0.7
77.03931	10.7
79.05492	71.3
81.03416	17.3
81.03896	0.9
81.07058	17.3
83.04972	4.1
91.05482	14.2
93.07046	14.1
95.01343	10.5
95.04966	100.0
97.02879	8.9
97.06538	1.7
103.05466	22.1
105.03399	5.9
105.04514	8.5
105.07033	3.5
107.04951	71.3
107.08585	1.0
109.02876	77.6
109.06522	9.7
111.23383	1.0
119.04898	0.9
121.06499	21.1
123.04427	20.9
125.02350	16.7
125.05987	9.7
127.03912	6.3
127.41454	0.9
131.04938	9.4
133.02869	4.9
135.04396	8.8
135.08005	1.1
147.04422	1.1
149.05981	23.8
151.03902	75.7
152.04236	1.2
153.05458	39.4
159.04390	5.2
163.07584	1.1
165.05540	0.9
167.03462	1.2
167.07025	1.7
177.05469	15.3
177.09247	0.8
195.06537	8.7
195.10065	1.0
203.27324	0.8
213.94006	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
50.01581	0.5
51.02361	0.9
53.03943	3.3
55.01865	1.7
55.05501	0.6
55.18853	0.5
65.03934	1.0
67.05505	5.5
69.03430	3.6
71.01352	3.0
71.04961	0.5
73.02911	1.1
77.03927	5.8
79.05042	0.8
79.05493	16.1
81.03394	2.6
81.07047	2.8
83.04997	0.5
91.05477	5.8
93.07042	7.1
95.04967	100.0
95.08555	0.6
97.02892	9.2
97.06529	1.4
99.04437	0.4
103.05467	10.9
105.03378	1.7
105.04509	5.9
105.07014	1.4
107.04953	33.3
109.02878	21.3
109.06515	1.8
111.04423	0.5
114.24770	0.4
119.04949	0.8
120.58179	0.4
121.06506	12.6
123.04427	15.0
125.02357	10.2
125.03217	0.8
125.05981	6.4
127.03907	4.1
131.04921	4.9
133.02834	1.7
135.04399	5.0
139.07526	0.5
147.04362	0.7
149.02419	0.8
149.05977	12.1
151.03900	33.8
153.05453	6.3
159.04407	4.7
163.03905	0.8
163.07573	0.6
167.03429	2.3
167.06929	0.7
177.05467	6.9
195.06522	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03954	2.4
55.01860	2.8
55.05262	1.1
55.05511	15.3
56.05322	0.9
57.03432	3.4
57.07060	1.7
59.10184	0.8
65.03924	2.3
67.05504	65.1
69.06717	1.4
69.07068	15.0
69.57949	1.2
69.58279	4.2
71.01339	1.9
71.05011	5.4
71.95238	1.2
77.03931	1.5
79.05042	2.1
79.05492	34.8
81.03423	9.0
81.07056	100.0
82.07371	1.4
83.04983	11.4
83.08612	7.4
85.06522	2.8
87.04422	0.9
89.06020	3.6
91.05486	21.9
93.07043	55.1
95.04969	8.9
95.08607	39.5
95.09218	1.9
97.06538	9.5
97.10176	1.4
98.23425	1.2
99.08092	1.4
100.02488	2.6
105.04543	1.3
105.07043	10.3
107.04957	2.5
107.08591	22.9
109.06503	2.2
109.10141	2.8
111.08057	4.6
113.09647	2.1
117.07008	7.8
118.03432	1.2
119.08594	2.6
119.36313	1.0
121.06501	3.7
121.10140	9.0
125.41599	1.1
130.96315	3.0
131.08563	10.8
133.08574	1.1
133.10126	13.7
135.04378	1.0
135.08060	2.8
135.11688	33.0
137.09666	1.1
144.09331	1.3
148.97333	2.1
149.09607	1.8
149.13261	21.8
149.97185	1.3
151.11197	1.5
153.09157	1.3
153.97881	1.7
159.11699	18.6
163.03899	1.9
171.98973	2.7
177.12730	14.2
195.12004	2.0
195.13815	17.7
195.15598	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03936	2.6
53.37957	1.0
55.01863	3.9
55.05509	16.2
57.03442	5.1
57.07085	1.7
59.47694	1.1
62.73779	1.0
63.63625	1.1
65.03950	1.9
65.85544	1.2
67.05504	59.4
69.03402	1.5
69.06751	1.3
69.07066	12.5
69.89774	3.7
71.04986	5.8
75.55602	1.1
79.05490	41.8
81.03421	11.3
81.07055	100.0
83.04980	23.9
83.08627	7.5
85.06535	3.2
89.06026	2.2
91.04939	1.8
91.05475	25.1
93.07042	61.8
95.04971	9.3
95.08604	41.2
95.09217	2.1
97.06527	12.9
99.08068	1.2
105.04520	1.5
105.07016	11.1
107.05009	1.6
107.08593	23.0
109.06506	6.1
109.10133	4.0
111.08070	5.0
117.07014	10.3
119.08585	3.6
121.06500	4.6
121.10121	5.8
123.08036	1.4
129.07008	1.3
130.96317	1.5
131.08554	14.8
133.10124	14.3
135.08037	4.0
135.11687	27.6
147.11702	1.6
148.97308	1.2
149.09669	1.3
149.13234	16.0
149.97209	1.5
151.03976	1.1
151.11174	1.1
159.11684	17.2
165.07030	1.3
166.07828	1.3
167.08580	1.4
171.98912	2.1
177.12755	12.6
195.11775	3.9
195.13799	30.2
195.15590	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.45123	0.6
53.03935	1.4
55.01871	2.7
55.05508	13.9
57.03438	4.2
57.07076	1.4
65.03949	2.3
67.05502	60.2
69.03430	1.0
69.07063	14.1
71.01330	1.1
71.04990	4.4
71.08590	0.8
77.03938	1.4
79.05487	36.3
81.03426	6.2
81.07053	100.0
83.04980	8.8
83.08619	7.7
85.06551	3.5
91.05476	21.5
91.06052	1.0
93.07040	54.7
94.95450	0.7
95.04966	5.3
95.08603	36.4
97.06528	10.5
97.10178	1.1
98.23456	1.3
99.08099	2.1
101.06058	0.9
105.04507	1.5
105.07014	8.5
107.08590	24.7
109.06537	3.0
109.10146	3.0
111.08099	4.4
113.05996	0.9
115.07726	0.7
117.07011	9.8
119.06116	0.7
119.08576	2.6
121.06512	3.3
121.10134	8.4
123.11740	1.0
131.08560	10.4
133.10123	13.9
135.08058	3.3
135.10634	1.5
135.11685	30.9
138.58595	0.7
145.76309	0.7
147.11707	0.7
149.09595	1.0
149.13254	20.7
151.11192	1.7
159.11684	16.5
159.12950	1.1
177.12733	13.1
195.07866	0.8
195.13829	14.4
195.15622	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03939	2.1
53.16386	0.9
55.01862	2.6
55.05512	13.7
57.03435	4.7
57.07079	1.4
65.03928	3.0
67.05506	59.0
68.96341	1.0
69.07070	16.0
71.01365	1.3
71.04990	4.3
71.32003	1.4
73.02908	1.4
77.03922	0.9
79.05492	38.2
80.68168	1.0
81.03420	7.3
81.07056	100.0
82.07419	1.4
83.04985	10.3
83.08611	8.9
84.71566	1.0
85.06538	4.1
89.06028	2.1
91.05473	22.4
92.09987	0.9
93.07045	62.3
95.04969	6.2
95.08608	37.7
97.06526	8.8
97.10162	1.7
99.04446	1.2
99.08049	1.0
100.02488	1.3
105.04552	1.8
105.07024	9.0
107.04954	2.1
107.08590	26.8
109.06509	2.8
109.10150	4.0
111.08066	6.1
113.06040	1.3
117.07005	8.4
119.08594	3.2
121.06515	5.3
121.10153	8.1
123.11703	1.6
130.96344	1.4
131.08571	11.1
133.10126	13.3
135.08076	3.9
135.11697	31.1
148.97382	1.2
149.13246	19.8
151.11143	1.1
153.06950	1.0
153.97791	0.8
159.11696	19.9
165.07001	3.7
167.08601	1.8
172.98772	1.1
177.12743	13.9
180.09372	2.9
195.11705	13.4
195.13808	17.9
195.15587	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03942	2.0
55.01868	2.6
55.05515	8.6
57.03428	2.4
57.07078	2.1
59.58019	1.5
67.05503	48.2
69.07081	10.0
70.29762	1.5
71.04978	3.1
71.43288	1.6
71.95261	4.5
79.05492	27.1
81.03414	3.8
81.07054	100.0
82.01444	1.9
83.04980	6.0
83.08607	5.4
85.06553	3.7
89.06020	9.3
91.05471	15.7
93.07042	43.7
93.07612	2.9
95.04956	5.8
95.08605	31.9
97.06544	9.5
99.08109	1.9
100.02483	5.0
105.07021	6.1
107.08586	20.8
109.10182	1.9
111.08085	3.1
117.07025	6.8
118.03526	1.9
119.08563	1.9
121.06489	3.6
121.10146	7.4
127.78585	1.5
129.77116	1.3
130.96249	2.1
131.08600	8.0
131.96127	2.1
133.10118	9.3
135.08022	3.3
135.11685	34.2
148.97333	4.9
149.01279	2.0
149.13234	14.6
149.97200	4.0
153.97908	3.9
159.11668	14.8
163.03871	2.2
171.99008	4.0
177.12747	11.0
180.09308	2.0
184.72726	1.8
195.11687	8.1
195.13818	15.5
195.15756	6.7
197.01492	1.6
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
53.03947	3.8
55.01876	4.0
55.05511	21.4
57.03439	9.4
57.07074	2.1
61.22965	1.0
65.03925	2.7
67.05503	76.9
69.03421	1.6
69.07068	21.2
69.62104	3.1
71.01333	1.4
71.04993	9.3
71.95273	2.7
73.02924	2.3
77.03934	2.6
79.05493	52.3
81.03416	27.8
81.07055	100.0
83.04980	21.2
83.08617	12.4
84.38747	0.9
85.02897	3.3
85.06549	5.3
89.06039	3.6
91.05482	35.5
93.07043	69.6
95.04971	11.8
95.08600	35.3
97.06530	16.0
97.10167	3.5
98.23384	2.0
99.08076	2.6
100.02502	2.5
103.05415	1.2
105.04527	2.5
105.07047	12.2
107.04945	3.2
107.08598	29.7
109.06500	4.6
109.10155	4.3
111.08091	8.4
115.19611	1.0
115.44032	0.9
117.07014	14.1
117.59683	1.0
119.08601	4.5
121.06496	10.1
121.10127	14.4
123.08086	2.3
123.11692	1.4
129.06984	1.2
130.96326	1.2
131.08559	14.9
131.96156	1.8
133.10126	15.4
135.08034	4.4
135.11694	27.0
137.09709	1.2
147.11661	1.8
148.97368	1.3
149.09673	1.8
149.13257	23.0
149.97224	1.2
151.11205	1.2
159.11705	19.7
161.33212	1.1
171.98975	2.0
172.98773	2.0
177.12747	9.6
195.13831	21.6
195.15628	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03938	2.8
55.01860	4.4
55.05509	20.0
57.03437	7.4
57.07074	1.4
59.04993	1.0
60.15226	0.9
61.52307	0.9
65.03936	3.4
67.05503	82.3
69.03424	1.6
69.07062	16.2
71.01350	1.3
71.05001	5.9
71.95290	1.5
77.03914	2.6
79.05489	62.3
80.05833	1.2
81.02957	1.4
81.03416	16.6
81.07053	100.0
82.94660	1.0
83.04977	37.3
83.08617	8.9
84.55128	0.9
85.06541	4.1
89.06006	1.8
91.05477	37.9
93.07042	84.8
95.04958	12.2
95.08603	46.5
97.06529	17.1
97.10150	1.3
98.22648	2.6
99.08092	2.7
100.02495	1.2
103.89085	0.9
105.04523	3.1
105.07026	13.6
107.04937	3.0
107.08590	27.6
109.06505	5.5
109.10152	2.9
111.08064	8.6
115.05455	0.9
117.07024	19.3
119.08561	4.8
121.06503	8.4
121.10145	11.3
123.08068	2.1
123.11684	0.9
125.09678	0.9
126.75057	0.9
131.08556	20.3
131.96173	1.1
133.10130	18.9
135.08044	5.1
135.10641	1.3
135.11684	25.3
147.11707	1.2
148.97359	1.2
149.09618	1.6
149.13249	20.4
151.11194	1.2
159.11687	25.5
169.28210	0.8
177.12741	15.9
192.75836	0.9
195.13808	36.2
195.15506	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03935	2.9
55.01875	3.4
55.05511	19.0
57.03442	5.5
57.07077	1.8
57.41421	0.4
65.03934	2.7
66.06598	0.4
67.05502	74.4
67.87367	0.4
69.03422	1.4
69.07065	19.2
70.56586	1.2
71.01354	2.3
71.04995	5.2
73.02895	0.7
73.06554	0.5
73.92273	0.5
77.03938	2.3
79.05492	47.0
81.03416	12.3
81.07054	100.0
82.07389	0.5
83.04981	10.5
83.08620	12.8
85.02904	0.7
85.06542	4.6
87.04466	1.0
89.06037	1.3
91.05479	39.8
92.05809	0.7
93.07043	61.4
95.04958	8.4
95.08604	29.7
97.06535	11.9
97.10174	1.8
98.22775	0.5
99.04414	0.5
99.08101	1.8
103.05465	0.9
105.04517	2.0
105.07023	12.1
107.04960	3.6
107.08591	28.9
109.06513	3.0
109.10164	4.1
111.08087	5.7
113.06039	0.8
113.09659	0.6
115.05478	0.8
117.07018	13.4
119.08589	2.9
121.06503	4.2
121.10145	9.5
123.08071	1.0
123.11704	3.0
125.05946	0.6
125.09623	0.6
129.06989	0.6
131.08572	13.1
133.10127	26.3
135.08063	3.4
135.11690	24.9
147.11711	1.1
149.09602	1.2
149.13258	19.4
149.14453	1.1
151.11200	3.1
153.09111	0.8
157.10167	0.6
159.11694	14.7
163.03937	1.9
177.12729	9.9
195.06496	0.6
195.13806	18.6
195.15559	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
51.72873	1.4
52.50627	1.4
53.03946	4.1
55.01860	3.7
55.05508	23.7
56.82473	1.7
57.03439	10.9
57.07075	4.5
59.05006	2.1
62.80867	1.6
65.03945	2.3
67.05500	54.0
69.03442	3.5
69.07065	41.4
70.55952	3.5
71.01377	2.3
71.04992	19.4
71.95267	4.2
77.03947	2.5
79.05489	62.2
81.03426	7.6
81.07054	83.9
83.04982	11.3
83.08611	13.6
85.02915	2.0
85.06555	4.9
89.06036	3.6
91.05473	44.1
93.07043	100.0
95.04967	22.2
95.08605	40.1
97.06522	10.1
99.08080	1.7
100.02461	2.1
103.88947	1.6
105.04537	2.7
105.07023	24.0
107.04947	12.2
107.08592	51.2
109.02855	3.7
109.06518	13.9
109.10168	4.1
109.98934	3.4
111.08067	3.5
115.05420	2.5
117.07032	21.1
117.07830	2.4
119.06141	1.6
119.08585	22.7
121.06523	14.9
121.10117	15.3
122.07307	1.8
123.08054	11.1
129.07019	3.5
130.07787	3.6
130.96342	2.4
131.08572	27.1
131.96152	1.7
133.02884	1.5
133.10114	13.0
135.04428	3.6
135.08047	8.8
135.11694	21.1
137.09578	8.6
138.06602	2.3
144.09363	5.3
148.97366	5.0
149.01273	1.9
149.06062	1.5
149.09682	1.8
149.13239	20.5
149.97279	1.6
151.03925	2.4
159.11696	24.9
163.03876	7.0
164.96823	1.5
165.06825	1.4
171.98987	3.6
176.30455	1.7
177.12741	14.7
178.08653	1.4
195.00574	2.4
195.08890	1.9
195.11615	3.9
195.13820	12.9
195.15724	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	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.73334	1.1
51.02352	1.0
53.03929	1.6
55.01861	2.9
55.05511	14.5
57.03420	4.5
57.07063	1.7
65.03938	2.4
67.05503	58.8
68.17818	0.9
68.96298	1.2
69.07064	15.3
70.03751	2.4
71.01334	1.4
71.04987	4.5
71.95246	2.8
77.03931	1.1
79.05488	35.4
81.03411	6.9
81.07055	100.0
82.01443	1.0
83.04971	10.9
83.08621	9.5
85.06532	3.8
89.06029	4.7
91.04939	1.8
91.05479	20.2
91.06022	0.7
93.07043	53.5
95.04996	5.8
95.08026	2.0
95.08604	32.8
97.06538	10.2
99.08109	1.4
100.02474	2.4
105.04498	1.1
105.07016	8.2
107.04939	2.2
107.08588	25.1
109.06494	2.5
109.10164	2.4
109.98931	1.9
111.08070	4.2
117.07006	9.7
118.03499	1.7
119.08593	2.7
121.06488	4.5
121.10149	8.1
123.08044	1.0
123.11713	1.4
130.96288	1.9
131.00188	1.4
131.08575	9.4
131.96181	2.0
133.10130	14.2
135.08046	3.4
135.11687	30.3
137.09599	1.1
148.97366	2.2
149.01224	1.8
149.09555	1.1
149.13249	20.6
149.97134	1.8
151.11137	1.9
153.97887	2.0
159.11696	13.9
163.03882	1.3
171.98898	2.5
177.12746	11.6
195.07948	1.7
195.13826	15.5
195.15585	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	195.1744
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03947	0.7
55.01857	2.6
55.05510	28.8
57.03433	7.5
57.07072	8.4
59.05000	1.8
63.99316	0.7
66.20972	0.9
67.05495	6.4
69.03428	9.2
69.07066	100.0
71.00043	0.9
71.04986	1.5
71.08637	1.1
72.47031	0.8
73.06544	2.8
77.03924	1.4
79.05486	5.8
81.07056	22.7
83.04974	7.1
83.08618	18.2
85.06523	3.2
91.05476	2.8
93.07047	14.7
95.04940	1.7
95.08601	27.1
97.06539	10.1
97.10168	16.3
97.10762	0.6
99.08079	1.0
105.07008	3.5
107.04948	2.0
107.08591	26.7
109.10162	11.5
111.08076	19.9
111.11043	0.8
111.11682	4.1
114.03613	0.7
121.10145	38.8
123.11707	7.6
125.09628	26.4
127.63364	0.7
135.11688	16.6
137.13239	10.7
139.11172	22.3
149.13266	4.0
151.14818	2.8
153.12723	1.1
163.07756	0.7
167.07050	0.8
177.16362	20.1
195.17442	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.097
Annotation	Damascenine
Peak:m/z	Relative Intensity
55.05512	0.4
67.05482	0.4
69.03433	0.2
69.21346	1.6
79.05462	0.3
81.07037	0.9
91.05480	3.1
94.06573	0.3
95.04955	0.4
96.05258	0.3
98.22651	0.5
99.04406	0.3
105.07020	0.5
105.25964	0.2
107.08591	0.4
108.08108	0.9
109.06499	0.5
111.08054	0.5
117.05758	2.3
118.06539	10.2
119.07304	0.4
120.04453	0.5
125.05978	1.6
127.03928	3.2
136.07570	1.9
137.05981	1.3
146.06006	33.0
147.06322	0.5
152.07066	0.4
152.31044	0.2
164.07060	9.8
166.04973	0.9
178.08623	51.8
179.07007	0.5
179.09009	0.6
179.10490	0.3
180.06538	0.4
181.07286	1.3
196.09686	100.0
196.16757	1.3
197.10028	1.0
197.11681	0.5
200.79216	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.1333
Annotation	Magnosprengerine
Peak:m/z	Relative Intensity
51.72565	0.2
56.96560	0.3
70.38853	0.3
70.39190	0.3
94.06555	0.3
96.24936	0.2
109.06486	0.2
110.06046	0.3
118.06517	0.5
119.01908	0.3
120.08101	36.8
122.09634	0.5
124.07631	0.3
131.01857	0.3
134.09645	0.4
138.09140	0.3
146.06029	0.3
146.09711	0.3
149.08412	0.3
151.09958	0.3
152.07053	0.5
152.10730	2.6
164.10710	37.6
164.93813	0.3
165.11520	2.0
166.08624	3.9
166.12259	0.6
173.02982	0.6
178.08588	0.6
196.09627	3.9
196.13322	100.0
197.13713	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.1335
Annotation	Magnosprengerine
Peak:m/z	Relative Intensity
56.96576	0.5
64.06712	0.2
71.33457	0.2
88.48801	0.2
94.06564	0.3
107.82368	0.2
110.06018	0.3
111.98508	0.3
118.06577	0.4
120.08109	38.9
121.12383	0.2
122.06013	0.3
122.09638	0.4
132.95854	0.4
133.08853	0.3
138.09189	0.4
146.06010	0.3
149.08342	0.5
151.09937	0.3
152.10707	3.1
164.10719	44.3
165.11484	2.2
166.08650	4.0
166.12296	0.6
178.08633	0.4
181.11006	0.4
196.13332	100.0
197.13727	1.3
217.76385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	1135-23-5
Peak:m/z	Relative Intensity
53.03944	3.4
55.01871	7.8
55.05511	14.6
55.77928	0.9
57.03444	1.9
57.07109	1.4
59.04989	1.6
65.03938	3.2
67.05507	19.0
69.03426	4.9
69.07060	4.6
69.40015	4.8
70.95869	10.4
71.01347	4.0
71.04964	1.6
71.43047	1.1
72.93778	3.9
73.02921	1.8
77.03922	2.6
79.05044	1.9
79.05493	36.7
81.03410	5.2
81.07056	66.4
82.07404	1.1
83.01307	1.7
83.04974	15.1
83.08649	1.9
85.06541	1.1
86.43112	1.2
88.96922	1.3
90.94827	1.2
91.05481	53.6
93.03404	1.5
93.07039	19.7
95.04974	15.4
95.08602	30.0
97.02896	5.0
97.06516	1.5
103.05469	6.5
105.03378	1.1
105.04505	2.1
105.07027	61.4
107.04973	8.3
107.08599	13.1
108.05739	5.9
109.02875	2.7
109.06517	100.0
109.10147	4.2
111.04440	3.6
111.08076	9.1
111.98479	13.2
114.94717	1.1
115.05448	3.0
117.07050	1.4
119.04949	15.4
119.06063	2.0
119.08543	2.2
121.06499	9.1
123.04417	2.3
123.08070	38.8
125.02323	1.9
125.05989	4.4
127.03911	6.7
127.07530	1.8
129.99515	3.1
132.95834	21.5
132.96767	2.0
133.02870	1.6
133.06490	49.9
133.10121	2.5
134.25386	1.2
135.04420	2.4
135.08025	4.3
137.05974	49.7
137.09576	2.6
139.07515	5.1
146.78334	1.1
149.05975	6.5
150.96884	18.8
151.03958	7.1
151.07538	96.8
153.05515	1.8
153.09099	2.4
155.06992	2.1
155.97427	16.7
161.05988	18.0
165.05493	2.1
167.07040	4.8
169.08611	3.8
173.98494	19.2
177.05487	10.6
179.07033	53.5
179.10564	3.0
179.14278	1.7
179.84450	1.0
195.06546	8.0
196.91801	1.4
197.08086	42.5
197.09665	1.4
197.11713	6.8
198.18520	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	197.0809
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03941	3.5
53.25293	0.7
55.01875	4.4
55.05517	7.1
57.03427	0.9
60.08847	0.9
61.39350	0.8
65.03934	1.2
65.46563	0.8
65.55466	0.7
67.05206	1.0
67.05506	11.3
69.03430	3.7
69.48825	2.1
69.49220	1.6
70.95872	0.8
71.01347	1.1
71.05000	5.4
73.02917	5.2
75.94147	0.7
77.03917	1.9
79.05498	33.8
81.03403	2.8
81.07059	26.5
83.01340	0.9
83.04966	3.6
83.08617	0.7
85.02920	4.3
85.03349	0.9
91.05482	8.5
93.07032	8.2
95.01315	0.8
95.04974	26.7
95.08606	10.7
97.02903	12.5
99.04453	5.3
103.05463	2.6
105.04533	1.7
105.07034	22.1
107.04959	8.6
107.08587	4.1
108.05779	1.0
109.02869	3.5
109.06523	31.3
110.03671	0.8
111.04449	3.4
111.08084	68.7
115.05437	1.5
117.07008	3.2
119.04906	1.3
121.06502	2.5
123.04440	7.7
123.08086	9.1
125.02351	1.7
125.06009	5.6
127.03918	100.0
129.42041	0.8
132.95834	2.5
133.06483	14.9
135.04430	2.4
137.05975	15.7
149.05963	1.6
150.96880	1.8
151.03918	29.2
151.04938	1.2
151.07544	19.1
153.05469	11.2
155.07018	4.5
155.97421	1.4
161.05949	3.8
169.08553	1.8
173.98483	1.9
179.07033	60.8
197.08095	28.9
197.11781	1.5
198.18512	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	1135-23-5
Peak:m/z	Relative Intensity
53.03944	1.7
55.01868	5.9
55.05511	10.2
65.03934	1.1
67.05502	8.7
69.03426	2.4
69.07053	0.5
70.87716	0.5
70.95874	0.6
71.01352	6.4
71.04993	1.3
77.03940	1.6
79.05491	13.7
81.03427	1.3
81.07055	59.7
82.10031	0.4
83.01337	0.8
83.04977	3.9
83.08595	0.8
91.05477	8.8
93.07040	8.7
94.04196	1.8
95.04954	5.5
95.08603	21.8
97.02883	5.6
97.06496	1.2
97.80193	0.4
98.89291	0.5
99.04463	1.1
102.18269	0.4
103.05466	2.9
105.03410	0.6
105.07028	30.7
107.04949	3.4
107.08591	4.7
108.05721	4.3
109.02851	1.0
109.06515	100.0
110.06830	0.6
111.04399	0.9
111.08104	2.4
115.05451	2.0
117.06986	0.9
119.04935	0.7
119.06060	1.2
119.08590	0.6
121.05729	0.6
121.06510	5.7
123.00793	0.8
123.04496	1.1
123.08064	26.5
125.05983	4.5
127.03904	9.4
132.95802	1.3
133.06487	26.9
133.10120	1.4
135.04413	0.6
135.08040	2.0
135.11647	0.8
137.05972	29.7
137.09599	1.5
139.07610	0.5
149.05991	5.2
150.96875	0.9
151.07536	63.8
152.07866	0.6
153.05470	0.8
153.09056	0.9
155.07054	1.4
155.97404	1.3
161.05974	12.6
161.09662	1.2
165.05521	0.7
167.07034	4.3
169.08571	0.5
173.98466	1.1
179.07021	27.8
179.10544	2.7
195.06476	0.6
197.08076	16.8
197.09912	1.0
197.11720	1.9
198.18469	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	197.0809
Annotation	4-Ethoxy-3-methoxybenzoic acid
Peak:m/z	Relative Intensity
53.03942	1.5
55.01875	1.2
55.05510	1.8
57.03453	0.4
57.69565	0.3
65.03949	0.4
67.05503	3.0
69.03419	1.5
69.07081	0.5
69.82333	0.8
69.82672	0.4
70.95867	0.9
71.04990	5.0
79.05490	5.0
81.03416	1.1
81.07047	6.3
83.04994	1.7
83.08614	0.5
85.02902	4.1
91.05462	2.8
93.07044	2.8
95.04966	11.3
95.08601	6.8
97.02884	9.7
98.22585	0.3
99.04453	4.7
103.05432	0.5
105.04536	0.6
105.07036	6.0
107.04947	1.4
107.08583	1.0
108.05682	0.5
109.02875	2.2
109.06512	5.8
111.04432	1.2
111.08079	22.9
111.98455	0.9
112.08421	0.4
121.06475	0.9
123.04437	3.1
123.08056	4.3
125.05981	1.5
127.03909	100.0
128.04219	0.5
131.04797	0.4
132.95854	2.1
133.06470	4.5
135.04366	0.5
136.05066	0.3
137.05962	1.2
143.36493	0.3
147.44324	0.4
150.96899	1.6
151.03903	4.7
151.07524	7.1
153.05470	2.4
155.07036	0.5
155.97395	1.7
161.06006	1.7
169.04933	1.0
169.08572	1.5
169.09830	0.3
173.98419	1.7
179.07019	12.4
183.42294	0.3
197.08078	16.6
198.18521	4.0
200.19244	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	4-Ethoxy-3-methoxybenzoic acid
Peak:m/z	Relative Intensity
53.03937	1.7
55.01875	1.9
55.05512	2.8
65.03934	0.3
66.47110	0.3
67.05160	0.4
67.05504	4.4
69.03433	1.2
69.07063	0.6
69.15385	1.8
70.95859	0.8
71.01350	0.4
71.04621	0.6
71.04988	5.5
72.93797	0.5
75.07756	0.3
77.03922	0.7
79.05490	6.7
81.03413	1.0
81.07054	7.3
83.01329	0.4
83.04973	1.8
83.08651	0.5
85.02905	4.4
86.61678	0.3
91.05481	2.8
92.31641	0.3
93.07049	2.6
95.04967	13.1
95.08598	6.7
97.02257	0.6
97.02892	11.4
97.06512	0.5
97.19466	0.3
98.23442	0.7
99.04449	5.9
103.05495	0.5
105.04504	0.8
105.07022	6.7
105.44926	0.3
107.04929	1.6
107.08588	1.6
108.05729	0.7
109.02860	3.3
109.06516	7.1
111.04454	1.6
111.08077	24.0
111.98477	1.0
119.04958	0.4
121.06486	1.0
123.04419	2.7
123.08072	4.8
125.05975	1.7
127.03910	100.0
128.04262	0.6
132.95822	2.1
133.06496	5.2
137.05984	1.7
139.91220	0.3
143.03444	0.4
150.96887	1.1
151.02795	0.5
151.03914	4.6
151.07535	7.7
153.05492	2.2
154.07730	0.3
155.07025	0.4
155.97401	1.2
161.06023	2.1
169.05025	0.8
169.08607	0.7
173.98439	1.5
178.16711	0.4
179.07022	12.3
181.22285	0.4
186.21831	0.3
197.08083	15.4
197.09552	0.6
197.13264	0.3
198.18512	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	197.0809
Annotation	4-Ethoxy-3-methoxybenzoic acid
Peak:m/z	Relative Intensity
50.60746	0.4
51.71038	0.4
53.03942	2.0
55.01871	1.6
55.05511	2.0
63.22500	0.4
67.05508	3.7
67.07190	0.4
69.03425	1.6
69.78638	0.9
69.79017	0.9
71.04994	5.8
77.03945	0.7
79.05497	5.2
81.03413	1.5
81.07063	5.5
83.04969	1.9
85.02908	3.9
86.14719	0.4
91.05471	2.9
93.07018	2.2
95.04353	0.5
95.04966	10.5
95.08608	6.8
97.02895	12.9
98.22760	0.5
99.04463	6.0
103.05457	0.6
105.04545	0.5
105.07030	5.8
107.04980	2.1
107.05645	0.5
107.08587	0.9
107.45404	0.4
108.05689	0.5
108.66519	0.4
109.02881	2.6
109.06519	5.4
111.04467	1.3
111.08083	23.5
115.05511	0.5
121.06496	1.1
123.04430	3.3
123.08071	5.0
125.05991	1.2
127.03915	100.0
128.04272	1.1
133.06480	3.4
137.06039	0.8
149.05968	0.5
151.03909	4.5
151.07542	6.3
153.05478	1.8
155.07079	0.5
161.05995	1.6
169.04956	0.9
169.08527	1.1
179.05562	0.9
179.07033	11.4
197.08086	14.1
197.09914	0.9
197.11740	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	Phlorisobutyrophenone
Peak:m/z	Relative Intensity
52.21948	0.3
52.79069	0.4
53.03941	1.5
55.01864	1.6
55.05510	2.2
57.03437	0.6
66.92634	0.3
66.99326	0.3
67.05501	2.8
69.03431	1.3
69.07053	0.8
70.95865	0.4
71.01364	0.4
71.04987	4.8
74.58293	0.3
77.03929	0.5
79.05491	4.4
81.03414	0.9
81.07053	6.1
81.81451	0.3
83.01320	0.4
83.04968	1.5
83.08621	0.5
84.37616	0.3
85.02909	3.0
91.05483	3.0
93.07026	2.1
95.04962	9.4
95.05531	0.7
95.08598	5.8
97.02887	8.3
99.04455	4.7
103.05456	0.5
105.07027	5.5
107.04948	1.4
107.08570	0.9
108.05828	0.6
109.02898	1.7
109.05837	0.5
109.06518	5.5
109.10144	1.2
109.85780	0.3
111.04430	1.3
111.08080	20.3
111.98470	0.4
121.06486	0.6
123.04430	2.8
123.08055	4.8
125.05985	1.8
127.03909	100.0
128.04257	0.6
132.95815	1.1
133.06505	4.0
133.40041	0.3
135.08018	0.5
137.05963	2.0
150.96933	0.8
151.03897	4.7
151.07541	7.7
153.05463	2.1
155.97433	1.1
161.05951	1.9
169.04926	0.7
169.08586	1.1
173.98470	1.0
179.07018	13.9
197.08083	18.7
197.11760	0.7
198.18561	1.9
214.12376	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
55.01874	1.0
55.05511	1.0
57.03447	0.4
59.05013	0.3
65.03915	0.5
67.05517	2.0
69.03431	0.9
69.17211	0.8
69.17625	1.1
71.04996	4.7
71.05355	0.5
77.03900	0.4
79.03815	0.3
79.05490	3.7
81.03415	0.7
81.07056	3.8
83.01332	0.8
83.04985	1.0
85.02905	3.6
91.05471	4.3
93.07040	3.3
95.04967	5.3
95.08615	3.3
97.02889	9.9
97.06525	0.4
99.04448	5.0
103.05417	0.4
105.03423	0.6
105.04533	0.4
105.07026	8.6
107.04961	0.8
107.08591	34.2
109.02859	1.7
109.06522	4.3
109.10150	1.4
111.04427	0.6
111.08087	8.5
117.07018	0.3
119.04922	0.7
119.06076	0.7
119.08604	1.7
121.06510	1.1
121.10106	0.5
123.04395	1.7
123.08057	1.8
123.11697	0.7
125.05985	0.4
127.03912	100.0
128.04245	0.9
131.08575	0.6
132.95836	0.8
133.06505	2.3
133.10129	18.3
135.04425	0.4
135.11688	4.3
137.05957	1.4
137.09630	0.7
146.07283	0.8
150.96878	0.5
151.03909	2.4
151.07550	3.4
151.11156	1.2
153.05478	0.7
155.97400	0.7
161.05975	0.6
161.08379	0.4
161.09616	4.4
165.05455	0.5
167.10704	0.7
169.04990	0.6
169.08557	0.5
173.98421	0.5
179.07042	5.6
179.10661	7.3
197.08084	10.7
197.11716	21.5
198.18510	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03958	1.2
55.01881	1.4
55.05515	13.6
57.03423	1.0
57.07076	6.7
57.23527	0.6
57.86578	0.7
59.05001	1.8
67.05503	15.0
69.03425	2.5
69.07066	8.4
70.49459	1.7
70.95863	5.2
71.04994	2.8
71.08627	1.7
72.93791	1.4
77.03971	1.0
79.05480	8.9
81.07059	29.7
83.04987	1.3
83.08617	11.4
85.02881	1.6
85.06523	2.0
88.96889	1.1
91.05476	17.7
93.07046	21.5
95.04960	11.9
95.08017	1.6
95.08607	29.1
97.02879	3.1
97.06532	0.9
97.10175	9.6
99.04430	1.3
99.08068	1.3
105.03405	1.7
105.07030	23.1
107.04953	2.4
107.08594	60.8
109.06512	12.0
109.10153	31.6
111.08072	7.2
111.98470	4.5
113.09657	0.9
115.11181	1.1
117.07014	1.2
119.04930	3.2
119.06081	1.7
119.08561	7.3
121.06522	6.8
121.10155	1.5
123.04410	4.1
123.08089	2.4
123.11706	31.1
125.05975	1.3
127.03920	26.6
127.04867	1.3
128.06213	0.9
129.99501	1.7
131.08559	2.3
132.95833	9.1
133.02837	3.4
133.06496	2.7
133.10126	59.4
135.04352	1.0
135.08115	1.6
135.11691	54.2
137.05977	10.5
137.09595	3.7
137.13255	10.5
143.08588	1.1
146.07294	1.4
150.96906	8.2
151.03880	3.5
151.07510	3.3
151.11165	4.5
153.05463	1.4
155.97440	7.2
161.09618	29.4
165.05457	5.2
167.07051	1.4
167.08420	0.9
173.98506	7.8
179.07327	3.9
179.10664	100.0
179.17920	6.8
180.10999	0.8
196.99951	0.8
197.08038	5.7
197.11722	88.6
197.18947	1.3
198.12080	1.3
198.18527	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	197.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00117	0.8
50.78315	0.9
55.01873	35.3
55.05511	12.5
57.03421	2.9
57.07067	1.9
59.18002	0.8
65.03938	2.7
67.05502	85.4
69.03425	3.9
69.07065	20.4
70.69193	1.8
70.95860	3.5
71.04991	15.0
72.93782	1.8
79.02039	0.9
79.05042	1.8
79.05489	29.0
81.07054	68.1
83.04979	13.8
83.08614	3.5
85.06548	9.3
91.05479	51.6
93.07044	21.0
95.04964	5.3
95.08598	7.0
97.06538	4.0
97.10195	1.4
99.04454	3.1
101.06011	1.0
105.07027	61.7
105.14572	1.0
106.07324	1.0
107.04945	1.0
107.07838	1.6
107.08588	51.3
109.06512	8.8
109.10153	100.0
111.08031	1.2
111.98492	4.9
113.05997	3.5
117.07008	1.9
119.08578	6.6
120.67364	0.9
123.08041	1.5
123.11710	12.2
125.09750	0.9
127.07533	3.6
129.99487	1.7
131.08546	2.7
132.95818	8.9
133.10127	76.5
137.09641	0.9
143.08578	1.4
150.96877	6.6
151.11177	15.5
155.97417	5.4
161.09627	4.2
173.98482	6.7
179.10675	4.4
197.00128	1.1
197.11687	3.2
197.13301	1.1
198.18512	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01870	4.8
55.05511	14.8
57.03437	0.8
61.76634	0.4
65.03928	0.9
66.57513	0.4
67.05505	4.7
67.89690	0.4
69.03426	3.5
69.07085	0.4
70.59770	0.5
70.95860	2.0
71.01351	0.8
71.04992	5.9
72.93774	0.7
77.03925	0.9
77.14671	0.4
79.05490	8.1
81.03419	1.7
81.07056	20.2
83.04989	2.0
83.08619	0.6
85.02911	3.9
85.06538	0.5
91.05488	5.9
93.07043	4.9
95.04971	10.7
95.08600	7.8
97.02889	9.5
97.06519	4.6
99.04456	11.8
103.05452	0.9
105.03387	0.7
105.04531	1.0
105.07020	9.9
107.04945	2.6
107.08581	4.4
109.02869	1.6
109.06520	18.6
109.10159	1.0
111.04443	1.9
111.08084	19.9
111.98474	1.7
114.00604	0.4
115.05482	0.5
117.07038	0.7
119.04984	0.5
119.06064	0.7
119.06882	0.8
119.08576	0.7
121.06495	2.0
123.04453	2.5
123.08065	6.4
123.11729	0.9
125.05991	61.1
127.03912	100.0
128.04260	0.7
128.06279	0.5
129.99532	0.8
131.08554	0.5
131.27567	0.4
132.95824	3.3
133.02861	0.9
133.06499	6.1
133.10112	4.3
135.08061	1.1
135.11707	1.1
137.05975	56.2
139.07617	0.4
143.08600	1.6
145.05023	0.5
147.06332	2.5
149.05952	0.9
150.96912	3.0
151.03920	4.1
151.07542	10.2
151.08743	0.7
151.11194	1.6
153.05482	1.5
155.07028	0.8
155.97435	3.3
161.05960	2.4
161.09595	6.1
165.05502	1.1
165.07445	1.2
167.07028	1.0
169.04961	0.7
169.08620	1.1
171.24562	0.4
173.98471	3.3
179.07050	10.5
179.08955	4.4
179.10681	8.7
179.12248	0.5
197.06308	0.5
197.08092	10.7
197.10037	10.0
197.11772	6.7
198.18555	7.9
198.20345	0.7
217.34503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01870	4.8
55.05511	14.8
57.03437	0.8
61.76634	0.4
65.03928	0.9
66.57513	0.4
67.05505	4.7
67.89690	0.4
69.03426	3.5
69.07085	0.4
70.59770	0.5
70.95860	2.0
71.01351	0.8
71.04992	5.9
72.93774	0.7
77.03925	0.9
77.14671	0.4
79.05490	8.1
81.03419	1.7
81.07056	20.2
83.04989	2.0
83.08619	0.6
85.02911	3.9
85.06538	0.5
91.05488	5.9
93.07043	4.9
95.04971	10.7
95.08600	7.8
97.02889	9.5
97.06519	4.6
99.04456	11.8
103.05452	0.9
105.03387	0.7
105.04531	1.0
105.07020	9.9
107.04945	2.6
107.08581	4.4
109.02869	1.6
109.06520	18.6
109.10159	1.0
111.04443	1.9
111.08084	19.9
111.98474	1.7
114.00604	0.4
115.05482	0.5
117.07038	0.7
119.04984	0.5
119.06064	0.7
119.06882	0.8
119.08576	0.7
121.06495	2.0
123.04453	2.5
123.08065	6.4
123.11729	0.9
125.05991	61.1
127.03912	100.0
128.04260	0.7
128.06279	0.5
129.99532	0.8
131.08554	0.5
131.27567	0.4
132.95824	3.3
133.02861	0.9
133.06499	6.1
133.10112	4.3
135.08061	1.1
135.11707	1.1
137.05975	56.2
139.07617	0.4
143.08600	1.6
145.05023	0.5
147.06332	2.5
149.05952	0.9
150.96912	3.0
151.03920	4.1
151.07542	10.2
151.08743	0.7
151.11194	1.6
153.05482	1.5
155.07028	0.8
155.97435	3.3
161.05960	2.4
161.09595	6.1
165.05502	1.1
165.07445	1.2
167.07028	1.0
169.04961	0.7
169.08620	1.1
171.24562	0.4
173.98471	3.3
179.07050	10.5
179.08955	4.4
179.10681	8.7
179.12248	0.5
197.06308	0.5
197.08092	10.7
197.10037	10.0
197.11772	6.7
198.18555	7.9
198.20345	0.7
217.34503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.0
55.01859	2.1
55.05509	44.3
57.07081	15.9
59.04993	3.4
65.03933	1.8
67.05500	39.6
67.64127	2.0
69.07067	28.5
70.95866	9.1
71.04993	9.0
71.08614	4.5
72.93764	2.9
76.77766	1.7
79.05489	9.2
81.07053	92.4
83.04983	3.0
83.08617	36.2
85.02885	3.6
85.06528	2.6
85.10173	2.6
91.05470	8.0
93.07050	6.1
95.04971	9.6
95.08601	100.0
97.02893	5.6
97.10170	29.5
99.08097	8.4
105.07018	11.5
107.04957	3.2
107.08573	7.5
108.74289	1.9
109.06519	16.8
109.10152	93.9
111.08067	11.2
111.98457	5.7
113.09613	1.9
119.08567	3.3
121.10098	4.7
123.04417	2.1
123.08054	5.6
123.11703	98.7
127.03908	45.1
129.99548	2.7
132.95822	15.6
133.02844	4.3
133.06479	4.3
133.10103	2.4
135.11685	2.3
137.05949	13.0
137.13254	33.9
138.08171	2.0
147.04410	2.3
150.96875	14.3
151.03903	3.1
151.07523	6.1
155.97421	10.0
161.13281	4.5
165.05455	7.5
173.98465	14.8
179.07068	10.1
179.08423	1.8
179.10582	3.1
179.17967	25.3
197.06305	1.7
197.07994	9.7
197.11726	4.2
197.13359	3.9
197.17371	2.6
197.19040	6.1
198.18529	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89438	0.4
53.03957	0.5
55.01868	1.8
55.05513	5.0
56.96566	5.6
57.03428	2.2
57.07085	2.7
58.06572	0.5
58.15660	0.5
58.83237	0.5
60.08152	1.9
61.02925	2.1
67.05509	0.7
68.05022	0.5
69.03436	3.9
69.07069	4.3
71.04968	1.0
71.08617	1.1
71.44894	0.6
72.04517	0.7
72.08133	0.6
73.02910	1.5
79.05482	1.2
81.03412	1.3
81.07053	1.9
83.08624	4.3
85.02908	19.5
86.06062	1.2
87.04476	0.7
91.03938	1.2
93.07058	0.9
94.06596	0.5
95.06091	6.1
95.08582	1.3
96.08119	0.5
97.02895	4.4
97.06560	0.8
97.10177	2.5
98.97581	3.4
99.04465	0.8
100.02488	1.4
100.07623	1.3
101.00851	0.6
102.00945	0.7
103.02460	1.0
106.07352	1.0
107.08598	1.0
109.02855	1.6
110.97588	2.8
115.03998	0.5
116.98623	2.2
118.03538	1.0
119.01935	1.6
120.02010	1.2
124.07574	0.6
126.04060	0.5
127.03924	6.4
128.98611	2.1
131.01927	0.6
133.01662	0.7
133.03407	0.6
133.05203	0.5
134.99672	1.1
138.06349	0.6
138.09167	0.9
140.04655	1.0
142.96553	0.5
143.01915	0.6
145.04951	6.3
146.99670	1.2
152.07037	1.5
153.86578	0.5
154.13403	2.2
155.01811	0.6
156.98083	1.5
161.02910	0.7
163.06085	2.6
166.08641	0.7
170.03020	1.7
174.99142	8.0
175.02870	0.5
175.06294	1.7
177.04236	0.7
181.02521	2.5
186.04666	1.3
193.00212	7.9
198.11101	2.6
198.18539	100.0
199.18909	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.7
55.05503	4.4
57.03433	1.1
57.07076	3.3
59.62329	0.4
60.08143	2.1
61.02916	2.2
64.34522	0.4
67.05483	0.8
69.03423	3.7
69.07063	4.7
69.70211	1.0
69.70599	1.1
71.08633	1.0
72.04487	0.5
72.08144	0.6
73.02888	0.8
79.05492	1.4
81.03404	1.3
81.07054	1.6
83.08607	5.8
85.02899	20.9
85.03418	1.1
86.06059	1.1
91.03941	0.8
93.07020	0.6
95.06094	10.9
95.08607	1.4
96.08122	0.5
97.02896	2.9
97.06525	0.8
97.10179	2.7
99.04440	1.1
100.02491	0.9
100.07612	1.0
102.30340	0.5
103.02448	0.7
107.08612	0.7
109.02882	1.9
111.08066	0.6
127.03910	6.7
145.04950	6.9
152.06992	0.7
154.13374	3.1
156.75500	0.5
163.06006	2.3
170.02951	1.2
180.08624	1.1
198.18524	100.0
199.18857	1.2
207.15858	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.6
53.03940	1.6
55.01866	1.2
55.05504	1.2
57.07063	0.7
57.67285	0.2
65.03935	2.7
67.05510	2.5
69.03429	0.2
69.07082	1.4
70.21001	0.3
70.21313	0.2
74.09708	1.0
74.55560	0.2
77.03934	2.8
79.05468	1.1
81.03419	0.7
81.07050	1.3
83.04971	0.3
83.08594	0.9
91.05477	1.0
93.02856	0.2
93.03405	1.0
93.07036	0.7
93.70848	0.2
95.04968	27.1
95.08579	0.3
97.02902	1.5
97.06532	0.4
97.10164	0.4
98.97584	2.2
100.07647	0.5
100.11285	0.3
105.04519	4.1
107.04945	0.3
107.08589	1.0
108.02091	0.3
109.02856	0.3
109.06514	1.3
110.03653	1.1
111.04449	1.0
111.08089	0.8
116.97244	1.3
116.98606	1.1
120.02067	0.6
121.02868	2.1
121.03932	0.4
121.06503	0.9
123.04430	15.4
123.08067	0.3
125.02351	12.1
125.05983	0.3
125.09582	0.2
127.03907	0.3
131.99535	0.4
134.95911	0.3
134.99693	0.3
135.08060	2.7
137.02354	0.4
137.05956	0.4
138.03125	0.3
139.03859	0.7
139.07553	0.5
140.04678	100.0
141.05006	0.7
148.01627	0.3
149.02339	0.5
149.03430	0.3
152.96979	0.3
153.05447	0.3
153.09142	0.4
155.07024	20.1
157.97487	0.3
158.01263	0.4
159.60562	0.2
166.02618	0.7
167.03387	1.6
167.07030	0.6
173.08073	1.2
175.98512	1.0
176.02379	0.4
181.04956	5.3
181.08574	2.1
189.49420	0.2
198.18529	15.4
199.06001	2.2
199.07776	0.3
199.09642	1.5
199.18874	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	199.0965
Annotation	7-Deoxyloganetate
Peak:m/z	Relative Intensity
53.03936	1.6
55.01868	2.1
55.05291	0.7
55.05512	6.9
57.03424	2.1
57.07057	0.9
65.03921	1.1
67.05503	4.9
68.00866	0.7
69.03435	1.6
69.07069	3.7
71.04996	4.0
74.09713	4.2
77.03924	1.1
79.05495	11.0
81.03413	2.5
81.07055	6.1
83.01328	1.2
83.04975	3.7
83.08602	2.3
85.02885	1.6
85.06514	1.0
91.05477	7.4
93.07044	8.6
95.04970	24.7
95.08604	5.6
97.02897	5.2
97.06521	3.9
97.10183	0.8
98.97588	3.8
99.04461	3.7
100.07603	1.2
101.06002	0.7
103.05437	0.8
105.04528	1.0
105.07044	3.9
107.04958	4.4
107.08588	11.9
108.05771	0.8
109.02872	5.9
109.06496	5.5
109.10141	1.8
111.04423	3.8
111.08077	5.3
115.05447	1.9
116.97222	1.3
116.98625	1.8
117.07016	4.7
119.06065	0.8
119.08588	1.9
121.02871	1.0
121.06492	1.6
121.07613	0.7
121.10145	1.4
123.04433	13.5
123.08064	9.2
125.02340	2.5
125.05975	3.9
125.09603	3.3
127.03912	36.6
127.07568	1.7
133.06511	0.8
134.99731	0.6
135.07040	1.1
135.08060	19.4
135.11617	0.9
137.05978	4.2
137.09576	0.9
139.03885	2.4
139.07526	2.1
139.11234	2.9
140.04652	2.4
141.05467	18.3
142.07889	0.6
143.08609	0.7
145.06442	1.8
145.07552	0.7
151.07555	13.7
153.05478	5.4
153.09122	5.3
153.12743	0.8
155.07025	1.4
157.10106	0.9
158.01237	0.6
163.07535	7.2
163.08728	0.9
169.08598	1.9
171.06517	8.8
175.98482	0.7
181.08592	37.6
181.12123	1.2
181.52451	0.6
198.18523	15.5
199.09648	100.0
199.14824	2.3
199.18906	21.8
200.09984	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0965
Annotation	7-Deoxyloganetate
Peak:m/z	Relative Intensity
51.02377	0.5
53.03937	1.3
55.01865	3.0
55.05508	7.4
56.96554	0.8
57.03436	1.3
57.07067	2.0
58.57021	0.6
65.03940	1.2
66.95005	0.5
67.05497	6.6
68.99751	0.6
69.03434	3.1
69.07065	4.7
70.07391	0.9
71.01354	0.9
71.04980	5.0
71.08613	0.6
71.41681	0.5
72.04532	0.8
74.09719	5.8
77.03933	1.5
79.05487	10.0
81.03407	1.5
81.07060	7.7
83.01340	0.6
83.04970	3.1
83.08609	3.7
85.02888	2.6
85.06535	1.5
91.05477	9.3
93.03460	0.7
93.07039	11.0
95.04965	44.6
95.08604	10.2
97.02898	4.3
97.06522	2.7
97.10178	1.4
98.22604	1.0
98.97580	9.7
99.04449	2.4
100.07601	2.3
101.02367	1.0
101.06017	0.6
105.04512	3.4
105.07027	7.1
105.16845	0.6
107.04943	4.1
107.07832	0.8
107.08587	13.4
108.05716	1.2
109.02884	3.7
109.06512	6.6
109.10126	1.6
111.04441	3.9
111.08080	4.0
113.05978	0.7
115.05437	1.9
116.97263	3.2
116.98605	5.6
117.07022	5.0
119.06059	1.2
119.08547	1.4
121.02837	1.5
121.06510	3.1
121.10149	3.0
123.04420	11.6
123.08066	23.2
123.11668	0.6
125.02345	5.6
125.05978	3.1
125.09602	3.4
127.03907	24.0
127.07551	1.8
128.04184	0.6
131.99519	0.7
133.06528	1.3
133.07576	1.2
134.99672	2.5
135.04387	1.5
135.08055	21.6
137.05981	3.2
137.09669	0.9
139.03889	3.9
139.07538	1.7
139.11122	1.7
140.04684	19.2
141.04460	0.8
141.05458	8.8
141.09027	0.6
143.08536	1.0
145.06490	1.5
145.10109	0.9
151.07538	31.5
152.96887	1.6
153.05443	2.8
153.06882	0.9
153.09087	5.2
153.12735	0.9
155.07037	4.3
156.09331	0.8
157.10066	0.8
158.01295	0.9
163.07526	7.4
163.08711	1.1
163.11176	2.2
169.08612	3.8
171.06512	3.8
171.07869	0.8
175.98547	3.3
176.02359	1.3
181.05006	1.6
181.08591	32.1
181.12198	1.9
198.18521	14.2
199.09644	100.0
199.18884	30.2
200.10043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1329
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
51.87119	1.8
53.03946	2.7
55.01868	4.2
55.05513	24.4
56.96547	4.1
57.03440	23.8
57.07075	6.8
57.93564	2.6
65.03945	2.8
67.05505	71.2
67.05869	3.8
69.07068	24.9
71.01357	7.4
71.04990	6.7
71.08640	2.3
72.04500	2.5
74.09718	28.9
79.05495	61.5
80.86503	1.9
81.03407	8.9
81.06620	3.2
81.07064	32.5
83.04985	19.9
83.08610	11.2
85.06554	5.9
91.05478	24.4
93.07047	77.3
95.04967	7.0
95.08605	10.6
96.88514	2.0
97.06524	23.7
97.10162	12.7
98.23411	5.5
98.97585	58.8
99.08090	3.1
100.07617	8.7
105.07027	4.2
107.04986	3.0
107.08590	44.7
109.10161	3.7
111.08091	3.9
116.97243	21.7
116.98613	30.8
117.06990	9.1
119.08549	9.1
121.06516	2.7
121.07587	1.9
121.10146	11.8
125.09659	2.4
131.08577	4.5
131.33527	2.0
131.99583	6.2
133.10165	5.5
134.99689	8.7
135.11696	100.0
139.26898	2.1
140.00157	2.3
143.08572	2.5
145.10155	14.5
152.96983	5.9
153.12746	3.6
157.10158	5.1
157.97580	2.3
158.01295	4.8
163.08804	2.6
163.11165	9.0
175.98573	15.2
176.02357	11.8
181.12247	12.6
194.03395	2.5
198.18523	64.5
198.20273	4.4
199.03972	3.1
199.14937	8.4
199.18906	69.2
206.43967	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	199.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87119	1.8
53.03946	2.7
55.01868	4.2
55.05513	24.4
56.96547	4.1
57.03440	23.8
57.07075	6.8
57.93564	2.6
65.03945	2.8
67.05505	71.2
67.05869	3.8
69.07068	24.9
71.01357	7.4
71.04990	6.7
71.08640	2.3
72.04500	2.5
74.09718	28.9
79.05495	61.5
80.86503	1.9
81.03407	8.9
81.06620	3.2
81.07064	32.5
83.04985	19.9
83.08610	11.2
85.06554	5.9
91.05478	24.4
93.07047	77.3
95.04967	7.0
95.08605	10.6
96.88514	2.0
97.06524	23.7
97.10162	12.7
98.23411	5.5
98.97585	58.8
99.08090	3.1
100.07617	8.7
105.07027	4.2
107.04986	3.0
107.08590	44.7
109.10161	3.7
111.08091	3.9
116.97243	21.7
116.98613	30.8
117.06990	9.1
119.08549	9.1
121.06516	2.7
121.07587	1.9
121.10146	11.8
125.09659	2.4
131.08577	4.5
131.33527	2.0
131.99583	6.2
133.10165	5.5
134.99689	8.7
135.11696	100.0
139.26898	2.1
140.00157	2.3
143.08572	2.5
145.10155	14.5
152.96983	5.9
153.12746	3.6
157.10158	5.1
157.97580	2.3
158.01295	4.8
163.08804	2.6
163.11165	9.0
175.98573	15.2
176.02357	11.8
181.12247	12.6
194.03395	2.5
198.18523	64.5
198.20273	4.4
199.03972	3.1
199.14937	8.4
199.18906	69.2
206.43967	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	199.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.7
53.16350	0.4
55.01870	1.9
55.05507	4.5
56.02647	1.0
56.05830	0.5
56.96560	0.8
57.03430	0.6
57.07070	1.7
57.93557	0.8
59.04991	0.6
61.82324	0.4
65.03944	0.7
67.05501	16.9
69.07066	3.9
70.07409	0.7
71.04990	100.0
71.08623	0.7
72.04518	1.0
74.09715	9.5
75.94618	0.7
79.05490	26.2
81.07058	6.9
83.04964	2.1
83.08626	2.9
84.08945	0.5
85.02908	2.2
85.06551	1.9
91.05476	6.4
93.07043	20.0
95.04961	1.0
95.08604	3.3
97.06533	1.9
97.10168	1.2
98.10506	0.6
98.97581	16.5
99.04446	0.8
100.07609	2.9
105.07029	9.1
105.07735	0.6
107.04990	0.8
107.08590	47.0
109.06532	0.9
109.07671	0.5
109.10129	0.6
111.04451	0.8
111.08087	0.4
115.05450	0.6
116.97248	6.2
116.98602	12.3
116.99389	0.8
119.06065	0.6
119.08604	2.5
121.06569	0.5
121.10141	29.5
122.10509	0.7
123.08071	1.4
125.09718	0.5
128.06230	2.9
129.07014	0.7
131.08563	16.2
131.99562	1.0
134.95897	0.7
134.99657	5.2
135.09254	0.4
139.11189	0.6
140.00171	0.8
140.04709	0.6
141.07037	1.0
142.07822	0.5
143.08612	1.1
147.11696	0.4
149.09615	18.6
152.96979	2.0
153.00659	0.5
156.05670	3.9
157.10147	1.0
157.97501	1.1
158.01286	1.6
163.08690	0.6
167.10718	2.0
171.08099	0.6
175.98534	3.9
176.02307	3.3
181.12282	0.9
184.05205	8.7
194.03439	0.9
198.18520	28.1
199.03833	0.8
199.07521	18.8
199.10605	0.8
199.13306	0.7
199.14929	2.2
199.18912	30.2
200.20238	0.6
201.41879	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.9967
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	0.8
59.93110	10.6
69.07079	0.5
69.83366	1.0
69.83691	0.6
70.07396	0.4
74.09729	0.8
74.95468	1.0
76.70280	0.5
76.93360	0.7
77.94148	6.2
80.43642	0.4
92.96482	0.7
95.08621	0.6
95.95197	3.3
98.97575	6.4
99.97919	2.2
100.95716	3.7
100.97219	0.9
101.00903	0.6
115.98032	1.4
116.97206	1.2
116.98613	4.9
117.95865	0.7
117.98982	2.5
118.96761	100.0
119.01905	1.0
119.53477	0.5
123.05599	0.5
123.08064	0.5
128.96313	0.7
133.99094	24.3
134.99675	3.4
135.99988	1.4
136.95403	10.2
141.98328	3.0
142.03493	1.3
142.53383	0.5
150.95732	2.8
153.00766	0.4
154.96463	31.3
159.97006	8.5
160.04526	3.3
172.97557	3.7
177.98062	75.7
178.05641	1.4
178.98383	0.8
195.99173	1.2
200.19087	2.9
200.99655	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	201.1123
Annotation	Gelsemiol
Peak:m/z	Relative Intensity
53.03943	3.2
55.01868	1.3
55.05511	2.3
65.03934	0.9
67.05501	10.0
69.03429	0.9
69.07072	1.1
69.50349	2.9
71.04996	1.7
74.77146	0.5
76.88750	0.7
77.03915	3.6
79.05493	15.2
81.03400	0.8
81.07068	3.5
83.04974	1.5
84.57612	0.6
91.05479	37.2
93.07045	100.0
95.04969	12.4
95.08619	2.9
97.06549	1.0
98.97551	1.1
103.05491	1.7
105.04520	3.8
105.07026	9.4
107.04990	0.9
107.08593	4.6
109.06550	2.9
109.09518	0.6
109.10166	3.4
111.04485	0.9
111.08074	4.7
117.07028	3.1
119.04966	3.7
119.08577	20.9
120.71800	0.5
121.06476	1.7
121.10157	4.1
123.04432	2.0
123.08076	2.6
129.07005	0.6
129.41179	0.6
135.08049	3.7
137.05977	15.6
137.09627	7.0
141.05484	4.1
147.08046	6.1
153.09108	1.4
155.06996	1.5
165.09113	23.0
183.10146	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	201.1122
Annotation	Alyscialactone
Peak:m/z	Relative Intensity
53.03946	0.9
55.01872	1.2
55.05511	3.9
57.03430	1.8
62.44342	0.5
67.05152	1.0
67.05502	11.4
69.03409	0.8
69.07063	1.0
69.43296	2.2
71.04966	0.8
73.02903	0.6
76.30985	0.6
77.03901	0.7
79.05495	5.2
81.03410	1.6
81.07062	5.7
83.04993	4.5
83.08624	1.4
85.06528	1.2
91.05476	8.0
93.07039	15.6
95.04970	5.8
95.08603	14.7
97.02879	0.7
97.06524	1.7
99.04451	0.7
105.04546	0.7
105.07026	3.1
107.08617	3.4
109.06512	16.3
109.10150	3.8
111.04462	1.4
111.08078	100.0
112.08372	1.1
113.06004	1.6
117.07007	0.8
119.08572	7.1
121.06516	0.8
121.10162	2.3
123.04429	2.6
123.08060	6.2
125.05996	3.4
127.03986	0.8
135.08075	1.6
135.40865	0.6
137.05971	2.4
137.09616	8.2
139.07526	4.0
141.05455	6.1
141.09100	1.1
147.08055	1.9
153.09114	4.5
155.07024	34.7
155.10632	1.7
157.08620	0.7
165.09135	5.2
183.10162	18.3
190.42006	0.6
201.11182	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	201.1122
Annotation	Alyscialactone
Peak:m/z	Relative Intensity
51.02386	1.7
53.03935	2.5
55.01856	5.5
55.05513	9.3
57.03441	3.4
65.03936	2.8
67.05507	48.9
69.03429	5.9
69.07056	5.8
71.04988	7.3
73.02916	2.9
77.03926	7.0
77.42993	1.6
79.05038	3.2
79.05492	50.0
81.03409	4.1
81.07054	17.7
83.04971	8.4
84.65578	1.6
85.35276	1.6
91.05480	82.7
93.07047	100.0
95.04968	53.4
95.05593	2.2
95.08621	14.7
97.06509	6.3
99.04431	3.1
103.05459	4.3
105.04513	6.6
105.07024	19.5
107.04943	5.4
107.08588	20.6
109.06536	8.1
109.10137	11.9
111.04449	19.0
111.08051	7.0
112.37455	1.7
113.06005	4.3
117.07008	6.8
119.04940	5.4
119.06061	2.1
119.08584	48.4
121.06507	7.2
121.10134	6.5
123.04435	25.2
123.08037	8.5
125.09596	2.5
129.07014	2.1
132.05713	1.9
135.08081	11.4
137.06006	9.7
137.09624	17.9
139.07524	1.9
141.05457	70.6
147.08055	14.8
153.09085	7.8
155.07034	2.0
165.09105	26.9
183.10176	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	201.1122
Annotation	Gelsemiol
Peak:m/z	Relative Intensity
50.98092	0.9
51.31530	0.8
53.03938	1.9
55.05500	3.0
57.03428	1.9
59.51685	0.9
65.03946	1.1
67.05503	44.5
69.07071	1.2
73.02907	1.1
79.05491	17.3
81.03393	1.2
81.06570	1.8
81.07055	35.2
91.05482	30.3
91.06049	1.5
93.07041	31.9
95.04967	44.9
95.08607	100.0
96.08957	1.0
97.06513	1.2
98.97570	2.0
103.05416	1.0
104.06234	1.1
105.07038	1.7
107.08593	12.0
109.06520	9.1
109.10157	20.9
111.04450	1.3
111.08054	1.9
116.98620	1.9
117.07034	7.5
118.96747	5.1
119.08575	60.1
121.06484	0.9
121.10164	1.2
125.03362	0.9
135.08099	1.4
137.09613	34.3
139.07542	1.6
147.08070	3.4
153.09088	3.0
154.96420	1.1
165.09114	55.9
166.09543	1.1
175.09651	1.0
177.98088	3.7
183.10167	9.2
201.11066	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.9974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94543	0.7
58.31045	0.6
58.99870	0.6
70.26918	1.1
70.27243	0.7
81.29012	0.6
82.01446	52.9
82.99867	0.9
95.46266	0.6
98.97597	1.0
99.70198	0.6
100.02486	100.0
101.00883	21.3
101.02598	1.6
101.37267	0.7
102.00944	7.7
102.02897	0.7
102.96879	2.2
103.00653	1.4
118.03523	26.3
119.01925	60.0
120.02009	19.2
120.02955	1.1
120.03230	0.6
120.95361	1.5
121.01659	2.8
123.04052	1.3
125.02560	1.6
130.22395	0.6
131.01907	1.5
137.02956	13.0
138.03014	3.8
138.95503	1.0
138.96416	5.2
142.03511	2.9
143.01997	1.0
143.03621	9.5
144.03259	1.8
145.03496	0.8
156.96594	1.4
156.97507	24.1
160.04594	1.5
161.02977	13.5
161.04608	5.8
161.98080	1.8
162.03111	5.3
162.04362	3.4
163.02635	0.8
174.98587	10.4
175.04544	1.4
179.00801	1.5
179.04034	12.8
179.05643	1.8
179.98119	32.3
179.99243	19.7
180.01462	1.0
180.04100	8.1
181.03735	1.1
197.99062	81.5
198.99316	1.3
206.96323	0.7
221.01920	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	203.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34387	1.9
55.05513	5.9
64.72727	2.0
67.05502	9.1
69.03448	3.7
69.07064	8.4
71.05001	7.2
71.10571	2.4
71.75350	2.4
79.05505	4.3
81.07072	7.3
82.63261	2.1
83.04990	2.9
85.06545	100.0
86.30202	2.2
91.05487	6.8
93.07043	11.6
95.04996	5.4
95.08619	7.3
97.06537	16.0
99.04469	2.6
99.91014	2.0
105.07049	4.1
107.08622	3.3
109.10159	23.8
111.08081	2.0
113.06008	12.8
121.06583	2.3
121.10139	11.6
123.08073	8.4
126.55185	2.1
129.07013	2.7
131.08589	4.1
137.09639	4.1
139.11165	13.1
149.09657	6.6
155.10689	4.0
157.06509	3.3
159.04385	2.8
167.10712	13.1
184.84637	2.3
203.06976	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	203.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.0
57.07081	2.5
67.05505	7.9
68.27689	1.9
69.03450	3.0
69.07074	9.2
69.50571	4.6
71.04984	7.6
79.05496	7.5
81.07060	6.1
83.04970	3.9
85.06543	100.0
91.05486	5.4
93.07035	13.6
95.04959	3.3
95.08624	9.5
97.06529	17.4
103.07579	4.2
105.07053	3.9
107.08609	3.3
109.10161	16.0
113.05988	10.2
121.10126	10.4
123.08050	5.5
126.35883	1.9
129.42744	1.6
131.08562	2.6
134.57996	1.7
137.09637	3.6
139.11183	13.5
149.09618	11.0
155.10669	2.9
165.03430	1.7
167.10706	15.0
203.07043	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	203.1278
Annotation	[1R-(1alpha,2beta,3alpha,4alpha)]-6-(hydroxymethyl)-3-(1-methylethyl)-5-Cyclohexene-1,2,4-triol
Peak:m/z	Relative Intensity
51.25505	2.8
55.05510	15.1
57.07048	4.5
59.04998	4.3
65.03926	3.3
67.05504	38.4
69.03430	23.5
69.07067	23.6
69.19669	20.7
77.03961	3.1
79.05492	62.6
81.07047	37.1
83.04976	20.3
85.06527	7.8
91.05473	17.5
93.03422	5.0
93.07043	100.0
95.04953	10.0
95.08604	61.7
97.02255	4.5
97.02888	87.0
97.06512	9.5
105.07024	12.0
107.04978	4.1
107.08585	21.5
109.10131	8.8
111.04454	23.5
117.23331	2.9
119.08597	3.2
121.06483	5.6
121.10136	83.9
123.08086	13.2
125.05990	12.2
131.08595	20.8
139.11172	8.9
142.32896	3.2
149.09621	39.4
167.10684	71.9
175.07446	4.7
185.11832	4.3
198.97775	3.2
202.37827	3.4
203.07043	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	203.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
55.05516	4.4
57.03429	1.5
57.07077	2.2
60.22585	1.1
67.05505	11.7
69.03428	2.3
69.07074	10.1
69.26652	7.4
71.04992	7.2
79.05491	5.0
81.07052	5.6
83.04978	3.9
85.06544	100.0
91.05463	4.1
93.07053	13.3
95.04961	4.8
95.08594	8.5
97.06537	18.5
99.04459	3.6
103.05492	1.6
103.07574	4.3
105.07040	3.2
107.08591	2.1
109.10161	26.3
111.08099	1.5
113.05997	11.8
119.08609	1.7
121.06506	2.6
121.10141	9.3
123.08081	4.6
129.07057	1.3
131.08580	2.4
136.58763	1.2
137.08691	1.3
137.09624	4.9
139.11186	15.4
149.09602	9.5
155.10727	2.4
159.04396	1.5
167.10649	14.4
175.07561	1.7
203.07127	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	203.1431
Annotation	Penidienone
Peak:m/z	Relative Intensity
53.03937	0.5
55.01858	0.8
55.05511	1.6
67.05505	4.2
69.07069	1.6
79.05054	0.4
79.05495	6.3
81.07063	5.0
83.04972	0.6
83.08630	0.4
85.06548	0.4
91.05477	9.9
93.07045	5.4
95.04976	1.5
95.08613	3.5
97.06541	0.9
99.08083	0.4
100.02465	0.6
102.96871	0.4
103.05447	0.6
105.04537	0.4
105.07030	13.4
106.07333	0.3
107.04949	1.9
107.08585	1.7
109.06499	0.9
109.10182	0.4
114.50955	0.3
115.05427	0.8
117.07014	5.3
118.97996	0.3
119.08578	8.5
120.96523	0.6
120.97910	0.4
121.06496	3.3
121.10117	0.9
123.08098	0.6
128.06209	1.9
129.06998	6.3
131.08565	3.2
133.06487	0.9
133.10123	2.7
135.08029	1.0
137.09665	0.4
142.07739	0.5
143.08556	6.1
144.09273	0.4
145.10123	1.0
147.08038	2.0
147.11650	1.3
155.08557	0.4
156.09398	0.6
157.10100	2.2
159.11691	2.4
161.09621	1.0
161.13248	0.7
162.52132	0.3
170.10982	0.5
175.11249	0.5
175.14804	2.4
179.97726	0.6
185.13235	8.0
197.99080	0.4
203.14304	100.0
204.14633	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05508	9.5
57.03442	11.7
57.07071	2.5
67.05156	2.2
67.05501	28.2
69.06714	1.5
69.07066	19.5
77.01684	1.1
77.03929	1.8
79.05484	9.7
81.07056	47.2
83.08615	5.0
85.32580	1.0
91.05471	16.4
93.07040	20.6
95.08602	57.6
95.15824	1.2
97.10162	2.4
102.96865	1.7
105.07029	58.0
107.08592	27.1
109.10155	60.1
115.05444	3.8
117.06998	3.9
119.08578	53.1
120.96497	2.0
120.97887	2.1
121.10133	21.1
123.11716	10.6
128.06233	2.3
129.06989	2.1
131.04912	1.7
131.08556	4.4
132.05673	1.9
133.10124	39.8
135.11688	8.1
141.12752	3.3
143.04988	1.6
143.08543	2.5
145.06529	2.1
145.10161	7.1
147.08006	1.8
147.11678	73.3
155.45433	1.1
157.10052	1.6
159.11726	2.2
160.05170	5.9
160.12497	3.2
161.09668	2.1
161.12067	2.4
161.13268	21.8
171.04399	2.8
172.04060	1.4
173.13283	1.4
174.14043	1.5
175.07516	12.5
175.11218	1.6
175.14801	6.6
185.13251	1.3
188.04689	2.3
202.41611	1.2
203.06937	10.6
203.08821	0.9
203.10678	3.9
203.14485	5.8
203.17949	100.0
204.18269	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	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.07810	0.9
53.03905	1.0
55.05283	1.2
55.05512	10.7
57.07058	3.3
58.34163	0.9
60.33729	0.8
67.05502	35.3
69.06711	1.5
69.07061	23.0
69.07714	3.5
69.54315	1.1
71.29727	0.9
79.05487	9.3
81.07054	42.8
83.08604	4.5
91.05466	14.2
91.05992	1.3
93.07044	19.0
95.08605	70.3
97.10175	1.8
102.96857	1.7
103.05462	1.2
105.07027	59.9
107.08594	31.0
109.06503	1.2
109.10155	87.7
115.05462	3.0
117.07015	2.7
119.08577	53.7
120.96532	2.0
120.97930	1.4
121.10140	23.1
123.11697	7.6
129.06996	1.5
131.08536	1.8
132.05685	1.0
133.10124	38.9
135.11690	7.9
137.32413	1.2
137.57083	1.0
138.98972	1.3
143.04871	1.9
143.08583	1.2
145.09077	1.1
145.10161	6.0
147.11682	82.2
156.96255	1.1
157.10150	1.1
159.11664	2.8
160.05203	3.2
160.12430	3.0
161.13251	22.6
171.04468	1.7
175.07544	7.1
175.14839	7.4
176.07962	1.0
179.97916	1.7
185.13353	1.3
188.04628	1.3
203.06993	7.0
203.10706	3.1
203.14276	4.3
203.17946	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18644	1.6
55.01876	4.9
55.05512	5.0
57.03428	2.5
57.07075	3.3
59.64062	1.6
62.43763	1.5
67.05507	12.5
67.32616	1.4
69.07082	12.6
69.62724	2.4
69.63112	3.7
71.04995	15.6
79.05473	2.0
81.07056	48.0
85.06541	6.0
91.05470	4.3
93.07062	8.6
95.08608	40.7
97.06517	1.7
99.04458	27.8
99.07548	1.5
99.08091	9.9
105.07034	3.4
107.08597	3.7
109.10164	4.9
111.08080	100.0
113.09643	33.0
113.10387	2.6
115.05455	2.3
117.07059	2.1
118.06541	2.1
123.11705	32.8
130.00537	1.8
133.10141	3.4
141.12724	9.6
145.06500	2.2
149.02298	10.4
151.11162	17.4
161.06023	3.5
169.12247	38.4
205.08600	5.4
205.12244	1.5
206.08269	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	206.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85424	0.7
57.07065	0.7
65.07378	0.7
65.13934	0.8
69.03424	1.3
69.14749	4.7
82.99842	1.6
83.01508	1.8
84.01201	1.9
85.01486	0.9
97.02884	1.0
98.23499	1.4
100.02498	1.4
101.00878	18.4
101.02572	9.2
102.02233	7.7
103.00636	2.1
103.02572	4.2
118.03563	0.7
118.06551	5.4
119.01923	61.3
119.03625	3.8
120.02023	3.8
120.03226	3.8
121.01652	8.6
121.03622	1.9
122.02023	1.2
123.02087	0.8
124.02453	6.4
127.48243	0.8
132.04414	1.0
137.02953	18.5
138.03061	1.0
139.02701	3.3
142.03503	100.0
143.03677	3.8
144.03198	4.4
146.02950	1.1
146.05995	8.5
149.02328	2.5
150.02702	3.9
151.64235	0.7
160.04550	35.5
161.04701	1.3
162.04285	1.2
165.05139	3.8
174.05544	2.2
178.01033	1.4
178.08635	10.1
179.00687	1.8
179.98727	0.9
181.97795	1.3
182.97917	4.5
184.04608	1.0
184.73729	0.8
188.99150	3.6
189.09656	0.8
191.14293	1.3
191.49504	4.2
191.99496	2.6
192.49207	0.9
197.40343	0.9
197.99629	1.0
199.98811	4.0
200.49977	9.2
200.98773	9.0
201.49892	1.4
201.98686	0.9
206.06363	1.2
206.08133	8.8
206.11911	0.8
224.04156	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	28.6
56.96568	1.1
57.03440	44.5
59.04993	6.0
61.02948	2.8
63.42890	0.9
68.00323	1.1
69.03429	10.4
70.74895	0.9
71.01355	30.2
71.05003	8.4
73.02915	25.2
75.04486	2.3
83.01357	9.8
84.25220	1.0
85.02914	7.0
87.00829	4.0
87.04472	30.9
87.05015	1.5
89.02389	11.8
91.05496	2.0
93.07037	1.9
95.01337	5.4
95.08598	1.4
97.02908	1.5
98.97593	1.7
99.00851	1.1
99.04510	1.1
101.02383	76.4
103.03960	8.7
111.00815	6.5
113.02368	3.5
115.03931	100.0
116.98633	1.2
117.01865	2.1
119.01869	1.3
119.03451	1.1
119.08614	1.4
123.08092	1.7
127.03924	3.8
129.01839	53.5
130.02248	1.0
131.03418	3.9
133.04970	5.5
139.11113	1.2
141.01814	4.1
143.03398	23.9
143.04434	1.9
147.02919	3.6
147.11674	1.1
151.07512	1.3
157.01323	79.2
159.02914	3.3
161.03108	1.9
161.04434	11.0
175.02377	7.1
179.08980	1.5
189.03951	17.0
207.05019	1.7
207.13777	1.5
214.26939	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.05
Annotation	(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
55.01873	31.6
57.03438	43.8
59.05001	5.2
60.61256	0.8
61.02922	3.9
67.05516	1.3
69.03436	5.4
71.01354	30.6
71.04995	9.4
71.43114	0.8
73.02917	23.0
75.04469	2.8
81.03409	1.3
83.01337	10.2
85.02908	4.6
87.00839	3.8
87.04466	31.8
89.02390	11.9
93.07056	1.0
95.01339	3.7
95.08601	2.2
99.00853	1.0
101.02381	71.5
103.03931	9.4
105.07021	0.9
111.00823	6.2
113.02372	3.4
115.03930	100.0
117.01846	1.4
119.03410	1.5
123.08055	1.9
127.03909	2.7
129.01836	50.9
131.03398	4.0
133.04065	0.9
133.04941	4.7
141.01839	3.4
143.03398	21.9
143.09027	0.8
147.02908	4.8
150.73111	0.8
157.01324	79.9
159.02934	3.1
161.04454	10.3
165.12808	1.0
171.08432	0.9
175.02428	8.5
189.03931	14.3
207.13815	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
50.01602	0.6
53.03936	3.1
55.01881	1.2
55.05512	9.7
57.34005	0.5
59.04992	0.8
65.03934	1.8
67.05502	30.4
69.03425	1.8
69.07069	5.8
69.49162	2.4
71.04987	2.8
73.06559	1.4
75.49402	0.5
77.03942	2.2
78.17194	0.5
79.05490	54.0
81.03407	1.6
81.07055	23.8
83.04989	3.5
83.08631	3.7
85.06514	2.7
87.04477	0.6
91.05049	1.0
91.05477	52.2
93.07042	100.0
95.04966	17.4
95.08604	9.6
97.06548	1.7
97.10181	1.5
99.08105	0.7
103.05424	0.6
105.04518	6.3
105.07024	26.2
107.04931	1.3
107.08595	10.0
109.06516	5.0
109.10149	0.7
111.08045	0.8
117.07022	5.5
119.08578	14.9
119.32019	0.6
121.06536	1.2
121.10143	2.9
123.08041	3.1
127.07575	1.6
128.06248	1.8
129.07004	10.1
131.08540	0.7
133.10118	5.1
135.11639	0.5
143.08554	4.4
145.10127	7.4
145.84637	0.5
147.06314	1.4
147.08064	1.5
147.11679	48.1
149.09497	0.7
155.06010	0.6
156.09337	0.9
161.09628	4.1
161.13248	8.8
161.14529	0.9
165.09056	0.6
171.11690	21.4
179.08937	1.7
179.14313	0.8
189.12709	10.0
207.06538	1.2
207.08484	1.6
207.13795	25.7
208.09622	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.23301	1.1
55.05507	6.6
57.07065	4.2
64.32370	1.0
66.94857	0.9
67.05157	1.5
67.05503	26.2
69.03432	4.7
69.07059	2.1
69.61685	3.4
71.04990	1.8
73.05784	0.9
79.05480	3.6
79.21967	0.9
81.07061	5.3
82.45823	1.0
83.04963	3.3
85.06538	10.0
91.05479	5.2
93.07043	12.9
95.04954	4.4
95.08603	100.0
98.23438	1.2
105.07027	14.9
107.04983	1.0
107.08593	15.9
109.06515	5.3
109.10132	2.3
111.08059	1.4
113.05987	5.9
116.06259	1.6
118.84095	1.0
119.04885	1.2
119.08573	22.4
121.06495	2.8
121.10137	15.0
123.08064	44.6
123.11708	7.6
124.08348	0.9
131.04837	1.0
131.08571	4.5
133.06476	2.0
133.10124	4.5
135.08025	2.2
135.11674	5.5
137.09608	3.4
137.13193	1.2
143.08618	1.2
145.10120	2.3
147.08026	5.0
147.11679	11.8
149.09612	52.2
151.07507	1.9
151.14827	2.0
156.09309	2.1
159.08031	1.4
159.11678	1.1
160.08800	1.2
161.09647	1.6
161.13254	18.0
163.11214	1.8
165.09097	1.3
165.12720	11.3
171.11656	3.5
174.10371	3.0
179.14253	2.1
189.12724	20.7
207.13786	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	208.097
Annotation	Thalifoline
Peak:m/z	Relative Intensity
52.15231	0.2
54.74902	0.2
65.03938	0.3
71.43863	0.3
77.03931	0.3
79.05486	0.6
81.43222	0.3
91.05474	0.9
92.04993	0.4
93.03369	0.4
93.07049	0.3
93.10056	0.2
95.04968	0.6
103.05462	0.3
104.04972	1.8
105.04541	0.3
105.05770	0.7
105.07005	0.4
106.04183	0.4
106.06577	0.4
107.04941	0.3
107.08547	0.3
109.02883	0.6
109.06520	0.3
110.06059	0.7
118.06512	0.3
120.05270	0.2
120.08117	2.0
120.08897	0.3
121.06503	1.0
122.06017	3.3
123.08059	0.3
132.04442	2.3
133.10138	0.8
134.06003	1.0
135.04474	0.2
137.09624	0.6
148.04718	0.2
148.07564	0.4
149.06010	0.7
149.08395	0.3
150.02689	0.4
152.07782	0.3
153.09068	0.3
156.06995	0.2
158.06087	0.3
164.07057	79.1
165.07422	0.5
176.07034	0.7
177.05515	0.3
180.07274	0.2
190.08647	1.1
190.12976	0.2
193.04703	0.3
208.09679	100.0
209.10027	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0809
Annotation	Sinapoyl aldehyde
Peak:m/z	Relative Intensity
51.02382	0.8
52.91964	0.8
53.03946	2.7
55.01870	18.8
55.05501	1.1
59.04994	2.2
67.05501	6.5
69.21593	0.9
71.01353	2.7
77.03924	4.7
79.05038	1.8
79.05496	27.7
79.05952	1.8
81.03421	9.9
81.07078	2.0
91.05482	18.4
93.07045	17.0
94.04134	1.0
95.01335	1.6
95.04970	23.5
95.08619	1.7
97.02861	1.1
103.05474	11.9
105.03396	5.6
105.04507	4.6
105.07014	2.7
106.04171	2.5
107.04375	0.6
107.04955	57.9
109.02879	100.0
109.06522	7.3
111.04436	2.0
119.05000	1.2
121.06506	28.2
123.00916	0.9
123.04452	5.5
125.02387	1.5
125.05972	2.3
130.84326	0.8
131.04922	5.0
133.02869	2.9
133.06506	0.9
135.04407	8.8
137.05981	3.4
139.03900	7.1
139.07530	2.7
141.05457	8.3
149.05977	24.5
149.09612	2.0
151.03911	4.7
153.05486	3.3
159.04361	2.5
163.07489	0.9
165.05470	41.4
167.07030	28.6
177.05475	31.5
181.08510	1.4
195.06587	1.3
209.08112	5.1
228.98344	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.03954	3.8
55.01876	10.2
55.05523	2.2
56.55169	1.3
57.03438	3.1
59.04988	1.7
65.03946	11.7
67.05504	11.4
69.07050	2.3
70.21793	3.0
71.04993	2.7
75.04478	10.1
77.03925	6.7
78.04703	10.6
79.05491	15.1
81.03414	5.0
81.07063	9.7
83.04975	3.4
83.08629	2.1
85.02912	9.4
89.03919	6.5
89.06038	3.3
91.05473	50.8
93.03400	31.2
93.07041	22.8
95.04966	37.8
95.08601	4.3
97.06523	19.5
103.05462	20.7
105.03392	3.3
105.04523	7.8
105.07031	5.5
106.04170	88.8
107.04977	10.8
107.08604	6.7
108.05742	2.2
109.02876	61.2
109.06517	26.2
109.10155	6.0
111.04454	3.7
115.92127	1.8
117.03358	4.1
119.04945	3.0
120.05696	1.6
121.06501	78.3
121.10147	6.2
123.04441	4.8
123.08084	5.1
124.05211	2.3
125.05974	21.6
131.04941	6.0
133.10101	7.4
134.03627	12.6
135.04410	4.1
135.08046	2.5
135.11673	2.2
137.05959	18.5
138.06778	4.5
139.03917	4.5
139.07571	5.9
141.05455	1.7
145.02812	3.4
148.05136	7.6
149.05972	100.0
151.03902	3.5
151.07579	4.4
151.11172	3.0
153.05484	4.9
153.09082	29.6
163.07541	5.2
165.05452	7.5
165.12784	2.4
166.06271	3.5
167.07048	3.4
167.14313	2.1
173.13260	2.6
177.03932	3.3
177.05461	53.9
177.06982	3.1
181.08598	23.5
191.07014	4.2
191.14293	7.1
209.08058	19.9
209.09830	2.8
209.15343	14.8
212.01204	1.6
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
51.02384	1.3
51.38533	1.0
53.03944	2.4
54.20849	0.9
54.56490	0.8
55.01874	4.9
55.05511	9.9
57.03430	4.6
57.07056	1.2
59.04990	1.0
59.52650	0.8
62.06286	0.9
65.03944	2.1
66.05770	0.9
67.05511	8.7
69.03426	2.9
69.07068	20.3
70.40964	2.0
70.41301	1.3
71.04992	22.6
77.03952	1.4
78.29993	0.9
79.05492	41.0
79.05950	2.2
81.03418	2.3
81.07059	10.3
83.04977	11.9
83.08614	4.4
85.06536	1.6
91.05473	25.1
93.03408	1.8
93.07042	50.7
95.04971	25.4
95.08583	5.0
97.06530	9.6
97.17767	1.0
99.04456	5.0
99.08080	0.9
103.05468	4.7
105.04520	1.0
105.07026	27.0
106.04153	2.6
107.04951	22.2
107.08595	62.6
109.02875	52.1
109.06523	15.8
109.10147	3.5
111.04425	4.2
111.08083	2.1
115.05466	1.0
117.07031	5.6
119.08571	10.6
121.06505	43.2
121.10142	83.6
123.04450	2.9
123.08069	4.7
123.11720	2.1
125.05970	9.2
125.09624	2.7
129.06996	3.6
130.07791	2.1
131.04932	2.2
131.08565	100.0
133.10130	8.1
134.03517	1.1
135.04398	3.6
135.08052	4.6
135.11681	8.2
137.05962	2.3
139.03886	3.1
139.07541	4.0
141.05461	4.6
143.08487	1.4
145.10121	35.5
147.08015	4.5
147.11682	4.2
149.05992	15.4
149.09615	84.1
149.13181	1.7
151.11162	5.1
153.05466	12.4
153.09079	8.8
155.06970	1.8
159.04413	1.3
163.07622	1.9
163.11177	29.1
163.14821	10.1
165.05444	4.1
165.07742	1.0
165.09143	2.9
165.12750	1.3
167.07028	7.6
167.10684	2.7
167.14310	3.9
173.09631	3.6
173.13260	3.7
177.05463	18.0
191.10663	32.0
191.14285	9.7
209.08139	3.7
209.11722	64.4
209.15228	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	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03943	3.8
55.01875	15.7
55.05508	10.3
57.03437	3.6
57.07066	2.5
59.04994	2.7
65.03934	3.3
67.05502	12.0
69.03426	4.1
69.07065	14.7
69.78146	2.2
69.78493	4.0
71.01342	2.2
71.04995	20.2
76.09122	1.6
77.03936	4.3
79.05491	53.8
81.03417	5.5
81.07053	14.9
83.01328	2.5
83.04551	1.7
83.04961	9.6
83.08634	1.7
85.70906	1.2
87.04482	2.0
91.05482	27.6
93.03439	2.3
93.06448	2.4
93.07041	43.8
95.04970	27.6
95.08613	6.1
97.06524	10.8
99.04467	3.0
99.08092	3.1
103.05475	10.8
105.03403	2.6
105.04571	2.9
105.07023	25.2
106.04159	3.3
107.04955	53.1
107.08591	48.6
109.02875	100.0
109.06518	26.0
109.10171	5.0
111.04433	4.2
111.08096	2.5
115.05436	1.8
116.06243	2.0
117.07020	6.5
119.08612	8.8
121.06501	52.8
121.10143	29.8
123.04445	5.1
123.08073	6.1
123.11685	2.3
125.06014	7.4
125.09622	3.3
129.06993	3.7
130.07793	2.9
131.04953	5.3
131.08562	93.1
133.06506	1.6
133.10121	9.1
134.03603	1.7
135.04399	5.0
135.08070	4.9
135.11679	3.9
137.05972	4.0
139.03888	7.7
139.06587	1.5
139.07545	5.8
141.05464	6.5
143.08614	2.0
145.10115	38.1
147.08023	3.4
147.11697	3.2
149.05977	23.5
149.09619	61.8
149.13260	5.6
151.03918	2.8
151.11183	3.8
153.05457	13.7
153.09111	5.6
159.04460	1.4
163.11179	24.5
163.14862	2.4
164.07121	6.6
165.05475	21.9
165.07411	5.4
165.09116	1.6
165.12694	1.6
167.07051	18.7
167.08372	2.2
167.10681	4.4
167.14322	3.0
173.09631	3.0
173.13301	5.3
177.05482	27.4
191.10648	25.3
191.14314	6.6
208.09697	12.5
209.08031	5.8
209.10162	11.8
209.11760	42.6
209.15326	12.8
213.57613	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03945	3.6
55.01868	5.9
55.05513	100.0
55.93021	1.9
57.03430	3.0
57.07070	2.7
59.05003	5.5
61.02940	1.9
67.05502	10.7
69.03425	7.5
69.07050	6.9
69.22887	10.7
71.04983	5.3
79.05482	9.7
81.07059	14.8
83.04984	91.9
83.08624	60.7
85.06535	6.5
91.05469	13.5
93.03421	2.6
93.07047	24.1
95.04968	45.9
95.08618	10.5
97.06537	12.4
97.10175	10.1
99.04444	12.0
99.08101	2.8
99.96693	1.8
103.05474	5.4
105.07036	7.0
106.04161	4.5
107.04945	7.0
107.08597	39.7
109.02881	20.7
109.06517	17.3
109.08437	2.5
109.10169	27.3
111.08076	13.7
113.09615	2.1
119.08585	4.0
121.06514	9.4
121.10144	52.9
123.04442	2.6
123.08054	4.9
123.11689	15.1
125.09657	16.7
131.04890	5.8
131.08557	2.9
133.10132	15.1
135.04367	2.8
135.07980	2.1
135.11745	2.5
149.05969	18.9
149.13300	10.2
151.11183	59.9
153.09117	21.6
159.04372	2.1
163.14838	9.1
165.05551	3.4
167.07059	4.1
167.14316	95.5
173.13286	5.9
177.05443	17.1
181.08592	2.4
191.14291	8.3
209.08095	6.3
209.15366	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	209.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.05505	6.4
57.07059	2.2
59.04993	2.3
64.82230	0.8
65.03925	1.5
67.05500	8.2
69.03419	10.9
69.07070	12.9
71.04978	6.9
77.03908	0.9
79.05496	7.0
81.03397	1.8
81.07055	12.5
81.96230	0.8
83.04982	12.2
83.08624	4.0
85.06498	0.7
91.05472	7.4
91.89969	0.8
93.03403	1.3
93.07041	10.1
95.04971	6.2
95.08021	1.5
95.08608	23.6
97.06523	6.3
99.08084	3.0
103.05427	1.1
105.07036	10.0
106.04153	3.2
107.04935	2.0
107.08589	38.1
109.02901	4.7
109.06520	10.8
109.10150	14.3
111.08070	3.0
113.09663	1.4
117.07019	1.7
119.08575	5.0
120.90087	0.7
121.06493	8.5
121.10140	32.6
123.08073	6.7
123.11720	3.6
125.06012	1.6
125.09612	9.1
129.07011	0.8
129.09171	0.8
131.08606	5.3
133.10124	12.9
133.11040	1.4
135.08041	11.3
135.11693	5.1
136.08829	1.0
137.09575	4.9
139.03760	0.7
139.11205	4.8
139.42145	0.8
143.08533	1.5
145.09125	0.8
145.10080	4.5
147.08072	1.1
147.11687	6.4
148.08736	1.0
149.05959	3.3
149.09619	11.9
149.13257	16.6
151.11176	100.0
153.09082	2.7
158.10919	2.8
163.11198	2.1
163.14799	8.3
165.12755	8.4
167.10623	0.7
167.14281	0.9
173.13258	13.0
177.05496	2.6
191.14297	40.5
209.08145	0.8
209.15364	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03952	0.8
55.01873	3.8
55.05510	22.4
57.03437	0.8
57.07072	1.2
59.04999	0.8
62.91589	0.3
65.03936	0.7
67.05502	11.4
67.46750	0.3
69.03419	0.7
69.07063	3.0
69.10556	2.1
71.04970	0.7
73.75254	0.3
74.56608	0.3
79.05490	8.6
81.06558	0.5
81.07053	15.0
83.04977	100.0
83.08618	3.2
84.05316	0.5
85.06533	1.6
91.05472	3.9
93.07041	18.4
94.90905	0.3
95.04963	1.7
95.08603	13.7
97.06528	1.1
97.10171	0.8
99.08080	0.7
105.04536	0.5
105.07024	1.7
106.06485	0.3
107.04971	0.5
107.08586	13.9
109.02849	0.5
109.06490	1.4
109.10146	3.6
111.07303	0.6
111.08070	6.4
113.05950	0.3
113.09623	0.3
117.07018	1.6
119.08604	1.7
121.06519	1.2
121.10135	6.8
123.08080	0.7
123.11678	1.0
125.05991	0.3
125.09642	1.5
131.08578	2.9
133.10123	1.1
135.08041	3.4
135.11691	1.1
137.09624	0.8
139.07535	0.5
145.10114	1.4
147.11678	0.9
149.09595	1.5
149.13246	6.3
151.11151	0.4
153.09128	1.1
163.11198	0.5
163.14801	6.4
173.13246	2.9
181.15865	1.7
191.14310	4.0
209.09821	0.3
209.11707	0.3
209.15343	6.9
209.17215	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03937	1.8
53.91470	1.2
55.05509	43.2
57.03429	1.4
57.07069	1.8
59.05001	3.7
63.89394	1.1
65.14549	1.1
67.05502	5.1
69.03426	5.3
69.07063	8.6
69.44104	5.3
71.04996	3.9
76.63194	1.2
79.05495	8.9
81.07059	10.0
83.04980	35.3
83.08616	21.7
85.06539	1.8
91.05470	6.3
93.07036	35.3
95.04968	28.2
95.08601	6.7
97.06546	5.8
97.10181	3.0
99.04461	3.6
103.05482	1.5
105.07037	7.0
106.07824	1.3
107.04968	1.3
107.08592	37.2
109.02863	7.4
109.06525	13.7
109.10136	12.5
111.08073	4.9
113.09646	2.0
119.08598	3.2
121.10139	100.0
123.08109	2.7
123.11707	7.2
125.09623	6.5
131.08578	2.6
133.10117	7.9
135.08066	1.8
135.11687	2.8
145.10110	1.8
149.05971	1.8
149.13277	4.6
151.11180	25.3
153.09088	5.3
163.14824	19.8
165.05515	2.0
167.14316	33.7
173.13257	2.9
177.05524	1.5
191.14297	11.3
209.15350	25.0
209.83153	1.1
221.94371	1.2
225.64923	1.2
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-alpha-ionone
Peak:m/z	Relative Intensity
53.03953	3.3
55.01883	2.3
55.05512	90.1
57.07083	3.9
59.05015	6.2
65.21080	2.1
65.74545	2.2
67.05508	14.5
69.03429	7.3
69.07064	6.3
69.61360	7.6
71.05001	4.5
74.06474	2.0
79.05502	8.4
80.20780	2.0
81.07057	21.1
83.04984	100.0
83.08624	43.9
83.09102	3.4
83.14063	2.4
85.06541	4.4
91.05486	5.4
93.07033	11.6
95.04978	26.6
95.08604	12.1
97.06535	18.2
97.10182	12.8
98.22775	4.3
99.04451	4.8
99.08125	3.3
105.07061	7.1
107.08595	30.4
109.02898	3.0
109.06526	44.3
109.10165	26.4
111.08067	11.3
121.10152	17.8
123.08075	4.5
123.11708	14.6
125.09629	14.5
131.08554	4.3
133.10149	19.7
135.08116	3.8
143.77464	2.2
145.10263	2.6
149.09663	3.8
149.13255	9.5
151.11191	46.8
153.09093	13.8
167.14331	73.3
173.13268	6.3
191.14296	6.5
209.15392	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03946	2.2
55.01870	2.5
55.05510	6.6
57.07067	2.0
58.16075	0.7
58.61681	0.9
59.04973	1.6
65.03934	2.4
67.05511	5.1
67.11137	1.0
69.03427	12.6
69.07072	5.1
69.27859	5.2
71.04991	1.5
76.41620	0.9
77.03919	1.5
78.95718	0.9
79.05489	7.4
81.02965	1.0
81.03415	12.5
81.07055	10.0
83.04987	8.5
83.08606	3.0
85.02919	1.0
88.07996	0.8
91.05477	8.4
92.89265	0.9
92.96289	0.9
93.03403	2.3
93.07020	8.5
95.04972	15.6
95.05545	1.7
95.08609	10.0
97.06519	2.7
99.08098	2.0
103.05452	4.1
105.04487	1.3
105.07021	5.4
106.04170	7.4
107.04967	4.1
107.08593	14.7
109.02192	1.4
109.02885	22.6
109.06517	16.9
109.10148	3.3
111.08044	2.0
117.06986	1.2
119.08554	4.8
121.06506	11.3
121.10141	16.9
122.07266	1.2
123.04454	1.1
123.08058	12.5
123.11720	9.0
125.06006	1.9
125.09628	1.8
131.04874	1.3
131.08606	1.9
133.10121	11.7
134.03647	1.2
135.04382	1.1
135.08032	3.5
137.05928	1.5
137.09616	11.9
137.13234	2.1
138.30367	1.1
139.03918	1.4
147.11751	4.6
149.05988	12.6
149.09607	11.7
149.13268	9.1
151.03911	1.9
151.11171	9.9
153.09085	1.6
165.05493	1.5
165.12749	100.0
166.06248	1.0
166.47433	0.9
167.03366	1.4
167.06992	1.9
167.14294	5.6
173.13300	2.7
177.05470	13.8
181.08577	1.7
185.28151	0.9
191.14288	4.1
209.08078	3.2
209.09953	1.7
209.15355	49.6
210.15900	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01867	1.1
55.05505	6.4
57.07059	2.2
59.04993	2.3
64.82230	0.8
65.03925	1.5
67.05500	8.2
69.03419	10.9
69.07070	12.9
71.04978	6.9
77.03908	0.9
79.05496	7.0
81.03397	1.8
81.07055	12.5
81.96230	0.8
83.04982	12.2
83.08624	4.0
85.06498	0.7
91.05472	7.4
91.89969	0.8
93.03403	1.3
93.07041	10.1
95.04971	6.2
95.08021	1.5
95.08608	23.6
97.06523	6.3
99.08084	3.0
103.05427	1.1
105.07036	10.0
106.04153	3.2
107.04935	2.0
107.08589	38.1
109.02901	4.7
109.06520	10.8
109.10150	14.3
111.08070	3.0
113.09663	1.4
117.07019	1.7
119.08575	5.0
120.90087	0.7
121.06493	8.5
121.10140	32.6
123.08073	6.7
123.11720	3.6
125.06012	1.6
125.09612	9.1
129.07011	0.8
129.09171	0.8
131.08606	5.3
133.10124	12.9
133.11040	1.4
135.08041	11.3
135.11693	5.1
136.08829	1.0
137.09575	4.9
139.03760	0.7
139.11205	4.8
139.42145	0.8
143.08533	1.5
145.09125	0.8
145.10080	4.5
147.08072	1.1
147.11687	6.4
148.08736	1.0
149.05959	3.3
149.09619	11.9
149.13257	16.6
151.11176	100.0
153.09082	2.7
158.10919	2.8
163.11198	2.1
163.14799	8.3
165.12755	8.4
167.10623	0.7
167.14281	0.9
173.13258	13.0
177.05496	2.6
191.14297	40.5
209.08145	0.8
209.15364	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	210.1125
Annotation	Anhalamine
Peak:m/z	Relative Intensity
51.32796	0.2
55.05514	0.9
59.04992	0.3
63.60367	0.2
67.05496	0.7
69.07062	0.3
69.25436	1.0
79.05480	0.7
80.04991	0.2
81.03413	1.6
81.07056	1.1
83.05006	0.7
83.08621	0.9
88.14496	0.2
91.05473	5.9
92.05819	0.3
93.07063	0.3
93.51290	0.2
95.04961	0.8
95.08603	0.4
98.22733	0.6
100.27940	0.2
105.07029	0.8
107.04472	0.4
107.08613	0.5
111.08031	0.3
117.05753	3.1
118.06534	16.8
119.07325	0.3
119.08548	0.3
120.04485	0.5
121.06479	0.3
121.35787	0.2
121.80681	0.2
122.06847	0.6
129.07001	0.3
131.08583	0.3
136.07576	0.7
139.43924	0.2
140.07722	0.2
146.05998	53.4
147.06351	0.5
148.07591	0.6
150.06313	0.9
150.09122	0.3
152.07071	0.6
164.07034	0.8
165.07884	1.0
167.07021	0.3
175.11313	0.4
178.08615	100.0
179.09074	1.0
180.06557	1.6
180.10170	1.8
193.12242	0.6
198.06577	0.2
201.95537	0.2
210.11235	64.3
211.11526	0.5
211.13286	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1126
Annotation	Anhalamine
Peak:m/z	Relative Intensity
53.03926	0.3
55.05524	0.6
59.05008	0.3
65.03936	0.2
67.05511	0.9
69.07043	0.3
69.20675	1.5
69.23341	0.3
72.14626	0.2
79.05479	0.8
80.01271	0.3
80.01730	0.3
80.15832	0.3
81.03423	1.8
81.07060	0.8
83.04990	1.0
83.08637	0.6
91.05488	5.7
92.05820	0.3
93.07026	0.5
94.03733	0.3
94.07372	0.3
95.04984	0.9
103.05479	0.3
105.07008	0.4
106.04198	0.6
107.04485	0.5
107.08601	0.4
109.06516	0.3
117.05763	3.5
118.06545	16.6
119.08608	0.3
120.04453	0.4
120.08114	0.3
121.08911	0.3
122.06847	0.7
126.06354	0.2
126.57136	0.3
136.07570	0.8
146.06012	52.9
147.06352	0.4
147.11711	0.3
148.04030	0.3
148.07585	0.6
149.06035	0.3
150.06410	0.5
150.09227	0.3
152.07077	0.4
157.10143	0.4
162.05502	0.3
165.07877	1.2
167.07059	0.3
175.11333	0.3
178.08633	100.0
179.08905	1.4
180.06621	1.3
180.10204	1.0
192.14102	0.3
193.12212	0.9
210.11253	64.7
211.11612	0.4
211.13345	0.5
232.44040	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0602
Annotation	5-Hydroxyferulic acid methyl ester
Peak:m/z	Relative Intensity
50.54300	0.2
51.02384	0.5
53.03948	1.6
55.01868	0.7
55.05507	0.6
64.43671	0.2
65.03928	0.8
67.05504	5.9
68.78527	0.2
69.03429	0.8
70.78984	0.3
71.01353	0.6
77.03923	2.6
77.84459	0.2
79.05495	2.9
81.03411	0.7
81.07056	1.8
83.04990	0.3
83.08614	0.2
87.57732	0.2
91.05474	5.7
91.75847	0.2
93.07040	1.5
95.01325	0.8
95.04967	58.0
95.08599	1.0
96.05253	0.5
97.02872	0.5
103.05473	0.6
105.03401	1.4
105.04508	2.6
105.07024	1.6
106.98751	0.2
107.04970	1.8
107.08596	0.3
109.02863	1.2
109.06519	1.8
109.10134	0.6
111.04448	0.4
111.08067	3.0
119.04084	0.3
119.04934	5.7
121.06493	1.0
123.00810	1.2
123.04427	18.2
123.08072	0.9
125.02357	0.6
125.09606	0.3
133.02855	0.8
133.06477	1.1
135.04417	0.4
135.11705	0.5
137.05978	1.3
141.01776	0.3
141.05466	3.3
147.04408	5.6
149.05978	0.6
151.03900	100.0
152.04237	0.9
161.05954	0.5
165.05475	1.6
167.07048	1.6
169.04945	1.7
175.03896	2.9
179.07030	2.9
193.04942	2.0
193.15791	0.2
211.09651	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
51.02374	1.3
53.00299	2.4
53.03942	6.7
55.01876	11.7
55.05506	11.9
57.03430	3.1
57.07058	1.6
59.04991	4.8
65.03937	5.1
67.05504	25.2
69.03424	15.5
69.07053	7.7
71.01360	1.6
71.04996	8.4
71.45367	1.6
77.03938	4.1
78.04707	1.4
79.05489	47.7
81.03413	20.8
81.07053	31.4
83.01332	2.6
83.04975	6.8
85.02921	2.6
85.06541	5.8
87.04466	1.8
91.05476	74.7
93.06437	2.7
93.07039	52.3
95.04964	60.0
95.08024	3.0
95.08607	43.2
97.02882	6.6
97.06522	6.0
99.04435	5.6
99.08093	12.9
103.05459	12.9
105.03391	4.3
105.04517	5.9
105.07026	100.0
106.04184	2.3
106.07342	1.4
107.04238	2.9
107.04945	29.4
107.08580	16.4
108.05751	5.1
109.02870	5.4
109.06522	45.8
109.10157	19.6
111.04440	4.6
111.08069	12.3
113.06040	2.2
115.05419	2.5
117.07012	3.0
118.04171	6.1
119.04940	38.1
119.05894	2.6
119.08573	12.0
121.02856	1.7
121.06499	43.4
121.10114	5.6
122.07296	2.2
123.04443	8.3
123.08062	45.7
123.11689	2.3
125.02353	5.4
125.05997	3.1
125.09618	14.6
127.07543	1.7
131.04926	3.1
132.05693	4.7
133.06487	65.7
133.10114	16.4
134.03604	5.7
135.04404	3.8
135.08043	5.5
135.11685	8.2
136.05182	1.6
137.02328	1.8
137.05978	15.7
137.09604	47.3
139.07463	2.4
140.84396	1.5
141.05475	2.7
147.04407	6.4
147.11703	4.8
149.05971	25.5
149.13222	2.1
151.03911	19.3
151.07530	65.8
151.11150	4.8
152.04640	1.7
153.05426	7.3
153.09076	9.3
155.07089	1.8
155.10634	4.8
159.04340	7.7
161.05960	21.6
165.05463	4.2
165.09116	9.9
165.12767	2.4
166.06294	1.8
167.07036	32.3
168.07733	3.8
169.08578	5.0
175.11186	2.6
175.14836	4.0
177.05542	2.2
179.07021	49.1
181.08549	12.9
191.07022	19.7
193.08583	19.2
193.12231	6.3
193.15869	7.0
196.07277	1.6
197.08093	6.0
209.08089	21.7
211.09641	80.0
211.12939	12.0
211.16890	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	211.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.2
55.01866	3.6
55.05260	2.4
55.05511	39.3
56.96568	19.7
57.03432	5.8
57.07062	1.6
65.03943	1.6
67.05508	28.0
69.03429	8.5
69.07069	10.3
69.74957	6.6
71.04970	5.1
79.05491	26.3
81.03417	100.0
81.07058	35.2
83.04981	46.1
83.05489	2.2
83.08617	35.8
84.96020	3.7
85.06525	3.4
91.05484	33.4
93.07041	18.7
95.04967	32.4
95.08604	14.6
97.02888	2.6
97.06513	5.6
97.10159	7.0
97.99168	7.3
98.23406	2.3
99.08083	2.6
105.07024	23.3
107.04957	5.7
107.08604	10.3
109.06503	5.9
109.10146	3.4
111.08085	11.6
116.00235	4.7
117.06961	3.1
119.08585	20.4
121.10142	9.1
123.08076	2.7
129.07024	10.3
131.08548	10.3
133.06500	4.5
133.10135	9.9
134.01260	1.9
135.11699	2.2
137.09637	2.2
142.07735	2.8
145.10139	1.8
147.08067	1.8
147.11693	12.6
149.09612	6.8
149.84325	1.6
155.08521	1.7
157.10143	19.3
165.12733	5.1
169.10117	5.4
175.11215	16.6
193.12241	49.7
205.98586	1.6
211.11075	3.8
211.13260	23.0
211.14912	5.8
216.40663	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03940	5.2
55.01866	3.6
55.05260	2.4
55.05511	39.3
56.96568	19.7
57.03432	5.8
57.07062	1.6
65.03943	1.6
67.05508	28.0
69.03429	8.5
69.07069	10.3
69.74957	6.6
71.04970	5.1
79.05491	26.3
81.03417	100.0
81.07058	35.2
83.04981	46.1
83.05489	2.2
83.08617	35.8
84.96020	3.7
85.06525	3.4
91.05484	33.4
93.07041	18.7
95.04967	32.4
95.08604	14.6
97.02888	2.6
97.06513	5.6
97.10159	7.0
97.99168	7.3
98.23406	2.3
99.08083	2.6
105.07024	23.3
107.04957	5.7
107.08604	10.3
109.06503	5.9
109.10146	3.4
111.08085	11.6
116.00235	4.7
117.06961	3.1
119.08585	20.4
121.10142	9.1
123.08076	2.7
129.07024	10.3
131.08548	10.3
133.06500	4.5
133.10135	9.9
134.01260	1.9
135.11699	2.2
137.09637	2.2
142.07735	2.8
145.10139	1.8
147.08067	1.8
147.11693	12.6
149.09612	6.8
149.84325	1.6
155.08521	1.7
157.10143	19.3
165.12733	5.1
169.10117	5.4
175.11215	16.6
193.12241	49.7
205.98586	1.6
211.11075	3.8
211.13260	23.0
211.14912	5.8
216.40663	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03938	3.8
53.17344	1.2
55.01872	6.3
55.05508	37.5
56.02221	1.1
57.03434	9.1
67.05501	35.7
69.03429	11.3
69.07067	14.0
69.31033	3.0
69.31432	6.3
71.01360	4.1
71.04986	6.0
77.03902	2.5
79.05491	33.8
81.03414	100.0
81.07053	40.9
83.04979	53.4
83.08614	38.9
85.06546	3.8
88.96752	1.2
91.05476	32.2
92.86196	1.2
93.07038	18.7
95.04964	46.0
95.08605	12.6
97.02904	4.2
97.06513	5.6
97.10181	8.4
97.19753	1.2
99.08094	2.7
103.05460	1.7
105.03391	1.9
105.04496	2.3
105.07025	23.0
105.37357	1.3
107.04959	8.7
107.08599	10.3
109.06515	9.1
109.10146	5.8
111.04498	2.5
111.08076	14.0
113.06010	2.6
117.07008	2.0
119.04933	2.4
119.08568	21.7
121.06493	4.3
121.10126	9.2
121.76501	1.2
123.04427	4.0
123.08061	4.5
123.11729	3.6
125.02349	26.3
125.09616	3.1
129.07005	11.6
131.08562	12.0
133.02895	3.4
133.06494	5.4
133.10135	15.2
135.11673	3.0
137.05943	2.3
137.09564	2.5
142.07736	3.2
145.10097	1.6
147.08084	3.0
147.11673	17.8
149.05991	2.1
149.09595	8.6
151.03896	8.0
151.11235	2.3
157.10115	18.8
165.12769	5.3
167.07024	10.9
167.08234	1.8
175.11177	20.9
175.14938	1.3
179.07025	4.3
179.08586	1.4
181.08636	3.1
193.08595	1.9
193.12238	54.1
193.15919	2.5
193.80074	1.4
211.05804	1.8
211.07652	2.2
211.09677	1.7
211.13271	25.6
211.16736	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03941	3.6
55.01869	3.9
55.05510	36.8
55.05782	1.9
57.03434	7.0
59.04992	1.2
65.03947	2.4
67.05157	1.7
67.05504	27.5
69.03435	8.6
69.05052	1.0
69.07066	8.8
70.01938	2.0
71.04997	5.3
73.06538	1.1
77.03957	1.5
79.05490	32.8
81.03416	100.0
81.07056	34.1
83.04978	48.5
83.08618	35.0
85.02903	1.3
85.06560	2.6
91.05474	29.9
93.07045	16.5
95.04967	36.1
95.08614	10.5
97.02892	4.2
97.06525	4.2
97.10169	8.6
99.04427	1.0
99.08121	1.8
105.07031	22.7
107.04941	7.2
107.08602	7.4
109.06506	5.3
109.10143	2.5
111.04452	2.6
111.08084	13.2
113.06018	1.3
115.05409	1.2
119.04912	1.1
119.08584	19.7
121.10156	7.1
123.08082	2.7
125.09631	1.7
129.07007	11.9
131.08560	12.8
133.06482	2.9
133.10121	13.5
136.24028	1.0
137.09605	3.1
141.06999	1.1
142.07782	3.2
142.20424	1.1
145.10152	1.3
147.08083	3.9
147.11682	16.5
149.09619	6.7
151.05827	0.9
157.10120	16.2
158.04800	0.9
163.11261	0.9
165.12769	3.4
175.11180	18.6
184.22139	1.1
193.12234	50.1
211.13286	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	211.1329
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
50.59921	0.5
51.53320	0.5
53.03934	4.2
55.01871	5.4
55.05509	41.3
56.96571	1.1
57.03439	8.3
57.07071	1.1
59.04992	1.9
65.03936	1.9
67.05502	30.1
69.03429	8.7
69.07064	9.4
69.11600	0.5
69.34888	1.9
69.35297	1.1
71.04993	5.2
73.06556	0.6
77.03935	1.4
78.41838	0.5
79.05489	31.2
81.03415	100.0
81.07053	37.8
83.04978	47.1
83.05487	1.3
83.08617	35.6
85.02898	1.2
85.06542	3.1
91.05478	31.1
93.06447	0.8
93.07043	18.2
95.04965	32.0
95.08604	12.8
97.02895	3.3
97.06528	4.7
97.10157	7.8
97.99185	0.6
99.04478	1.3
99.08096	2.0
103.05449	0.6
105.04509	1.2
105.07027	23.5
107.04942	6.7
107.08588	9.8
109.06511	6.4
109.10176	2.6
110.36382	0.5
111.04437	2.5
111.08076	13.0
113.05994	0.8
115.05435	1.3
116.06177	0.7
117.06991	1.8
119.04946	0.6
119.08580	19.4
121.06498	2.3
121.10132	7.4
123.08065	2.3
123.11690	2.7
125.09624	2.1
127.03940	1.7
127.07539	0.7
129.06996	11.1
131.08556	12.1
131.94467	0.6
133.06476	3.6
133.10120	10.2
135.11690	2.7
137.09665	2.6
141.05504	1.2
142.07829	3.1
145.10092	1.9
147.08081	2.9
147.09052	0.5
147.10565	0.9
147.11682	14.0
149.09622	7.2
151.07523	0.7
151.11174	1.2
155.08498	0.6
157.10118	14.1
163.11154	0.6
165.12729	2.3
167.07021	1.9
175.11174	15.4
175.14775	1.0
193.12236	41.9
211.07573	0.7
211.11409	1.0
211.13272	19.8
211.14876	0.8
211.16833	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.8
53.03937	1.9
53.66327	0.7
55.01857	2.4
55.05510	27.6
57.03438	5.0
57.07074	4.2
59.04988	3.4
65.03924	1.7
67.05501	41.3
69.03114	1.0
69.03432	10.6
69.06709	1.3
69.07065	21.0
71.01357	0.9
71.05000	5.4
71.08607	1.0
77.03918	1.2
79.05492	20.0
81.03414	33.5
81.07053	38.4
83.04979	26.1
83.08616	21.0
85.06547	7.6
91.04939	1.5
91.05476	19.0
93.07040	20.4
95.04966	19.4
95.08601	59.6
97.02871	1.6
97.06527	4.2
97.10163	5.1
99.08078	3.9
101.06009	2.2
103.05463	2.9
105.04491	1.0
105.06353	1.3
105.07024	20.2
107.04945	5.2
107.08591	26.4
109.02885	1.9
109.06520	14.4
109.10152	100.0
110.03200	1.0
111.03317	1.2
111.08074	10.4
113.05997	1.7
113.09624	2.5
115.07565	2.6
117.06992	1.6
118.04140	2.7
119.04984	3.7
119.08579	28.2
121.06497	2.2
121.10139	14.9
123.04433	17.0
123.08059	12.8
123.11703	10.9
125.02365	7.6
125.09579	2.8
127.11172	0.9
129.06998	3.5
131.08589	5.3
133.06514	5.7
133.10121	24.0
135.04393	1.1
135.08109	1.5
135.11688	61.8
137.05927	3.1
137.09618	20.8
138.10367	1.0
139.11171	3.5
145.10104	1.0
147.04401	1.8
147.11670	8.0
149.05978	2.1
149.09680	3.6
149.13277	7.7
150.06743	3.1
151.03897	3.0
151.06479	1.4
151.07532	11.2
151.11176	8.8
151.14796	13.4
153.12761	1.7
157.10106	5.4
163.14798	5.4
165.09103	3.0
165.12759	2.5
165.16394	3.2
167.07059	6.6
167.13368	1.0
175.11189	6.8
175.14815	26.0
179.07033	41.2
180.07486	1.2
181.08549	1.1
181.15816	1.3
193.08603	9.8
193.12262	15.3
193.15872	29.4
199.54910	0.7
211.07684	1.7
211.09618	7.4
211.13268	8.4
211.16924	19.3
221.63126	0.8
227.59196	0.9
230.40900	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	13.8
57.03428	1.2
57.07066	3.7
59.04997	4.0
67.05503	25.2
69.03432	12.0
69.07067	17.9
69.59940	4.9
71.04977	3.6
79.05499	5.1
81.03438	1.1
81.07059	27.5
81.07508	2.1
83.04980	12.6
83.08615	9.3
84.93060	1.2
85.06551	5.3
91.05504	3.9
92.73490	1.1
93.07041	12.1
95.04973	3.4
95.08606	41.6
97.06535	1.5
97.10179	2.4
99.08102	3.6
105.07019	7.2
107.08592	24.1
109.06515	12.6
109.10154	100.0
111.08086	3.8
113.09624	2.5
113.37709	1.2
119.08576	22.6
121.10116	11.0
123.08058	12.7
123.11699	8.2
125.09643	1.6
133.10126	20.1
135.11690	72.1
137.09601	18.6
139.11157	2.3
145.10114	1.2
147.11627	2.0
149.13295	4.9
151.11180	10.7
151.14812	13.1
153.12772	2.5
165.16377	2.9
175.14832	19.9
193.15874	20.0
211.16922	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	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
54.47990	1.0
55.05507	13.7
57.07076	3.1
59.04985	2.6
67.05508	23.7
69.03427	8.1
69.07072	17.6
71.04983	4.8
79.05482	5.5
81.07056	25.8
83.04983	10.4
83.08612	8.2
85.06536	4.0
91.05456	4.3
93.07055	11.2
95.04955	2.6
95.08611	41.7
97.06508	1.6
97.10162	2.6
99.08091	5.1
105.07030	6.7
107.08596	29.0
109.06522	13.1
109.10158	100.0
110.10467	1.2
111.08065	3.6
113.09657	2.1
119.08580	21.5
121.10168	9.5
123.08074	15.1
123.11729	10.0
125.02380	8.2
125.09657	1.8
127.11229	1.8
128.90642	1.1
133.10136	16.7
135.11693	71.1
137.09616	15.0
139.11237	3.4
147.11646	2.3
149.13278	4.7
151.11200	8.6
151.14827	10.9
153.12723	3.3
165.16408	2.1
175.14809	22.9
193.15883	21.7
211.16957	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	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.05511	14.1
57.03429	2.1
57.07074	5.0
59.04992	2.0
64.24873	0.9
65.03924	0.8
67.05502	26.5
69.03426	9.3
69.07069	15.8
69.42666	3.0
71.04993	4.1
79.05482	5.0
81.03414	5.7
81.07054	25.4
81.07413	0.6
81.63876	1.0
83.04982	13.6
83.08614	10.0
85.06544	4.0
91.05472	5.8
93.07045	10.9
95.04967	5.3
95.08600	35.0
97.06533	1.5
97.10161	3.1
99.08105	2.4
105.07026	8.5
107.08595	25.5
109.06516	11.6
109.10152	100.0
111.08076	4.6
113.09643	2.7
119.07738	1.8
119.08575	25.4
121.10137	10.3
123.08075	14.1
123.11716	10.2
125.02328	6.2
125.09607	2.0
127.11167	1.1
133.10124	18.9
135.11688	67.7
137.09613	17.8
138.10313	1.1
138.35641	1.0
139.11177	1.6
147.11687	2.3
149.13292	5.2
151.11200	11.0
151.14812	11.8
153.12778	3.0
157.10161	1.2
165.16386	3.2
175.14819	21.6
186.01567	1.0
193.12195	2.9
193.15887	21.9
211.13412	1.2
211.16939	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	212.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03756	0.1
55.01869	0.2
55.05505	0.2
56.25153	0.2
56.96558	0.3
60.31676	0.2
61.02931	1.7
65.03939	0.4
67.05519	0.2
69.03429	0.3
71.43894	0.2
73.02904	0.2
79.05499	0.8
80.05025	0.5
81.03453	0.8
81.07033	0.4
84.08135	0.2
85.02910	0.4
89.06025	1.1
91.03968	0.2
91.05490	0.8
92.05001	0.5
92.05810	0.2
93.07040	0.5
94.06560	0.6
95.04983	0.9
96.05308	0.4
98.97572	0.3
101.00783	0.2
103.05515	0.4
105.05723	0.2
105.07008	0.4
106.06579	0.3
106.07367	0.3
107.04965	1.3
108.04525	0.2
108.08117	0.2
109.02897	1.2
110.06064	1.2
110.06709	0.3
111.08096	0.4
116.98638	0.2
118.06536	1.5
119.07332	0.4
120.08107	100.0
121.06507	0.3
121.08458	0.7
122.06022	0.7
122.09713	0.2
123.04451	0.4
124.07598	0.5
125.02393	0.5
126.02689	0.6
126.09192	0.3
127.03918	0.2
133.08615	0.5
134.09694	0.3
148.07608	0.3
150.09131	0.5
151.03848	0.9
152.04225	0.4
152.10701	4.8
153.05505	0.2
166.08617	0.3
167.07138	0.2
168.07468	0.4
168.10176	0.3
176.07127	0.2
177.05479	0.2
189.00708	0.3
194.08119	0.4
194.11729	0.8
195.12344	0.8
212.09250	1.4
212.12805	3.7
212.16342	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0757
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03949	1.3
53.13495	1.0
55.01868	1.7
66.79195	0.8
67.05493	3.5
69.03430	1.1
69.77886	0.9
71.01333	2.3
77.03922	3.6
79.05492	26.0
79.05947	1.6
81.03419	2.5
81.07053	3.5
91.05478	3.6
93.07056	4.6
93.07542	0.9
95.04961	32.1
97.02897	5.8
97.06518	1.8
97.20758	0.8
103.05461	7.7
105.03392	3.9
105.04491	3.1
105.07040	1.5
107.04951	100.0
108.05206	0.9
109.02879	9.8
109.06531	2.5
112.72251	0.9
121.06514	7.4
123.04420	9.4
125.02347	11.4
125.05976	2.3
127.03896	1.1
131.04915	2.6
133.02863	8.8
135.04401	2.7
149.05977	11.4
151.03902	64.8
153.05476	11.4
159.04488	1.9
167.06989	1.0
177.05472	7.2
195.06543	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	213.1121
Annotation	7-Deoxyloganetin
Peak:m/z	Relative Intensity
50.77236	0.5
51.02378	0.6
53.03941	1.9
55.01866	4.0
55.05508	2.4
55.45521	0.8
57.03434	1.9
65.03936	1.6
67.05505	12.2
69.03430	4.3
70.76003	0.7
71.01353	4.9
71.04998	1.0
77.03926	2.8
79.05489	37.3
81.03421	6.9
81.07050	9.3
83.01339	2.6
83.04971	2.3
83.08662	0.8
85.02897	5.4
87.04484	1.1
89.02381	0.8
91.04939	1.3
91.05479	18.6
93.03386	0.9
93.07040	26.2
93.82379	0.5
95.01321	1.7
95.04966	30.2
95.08616	2.8
97.02882	5.2
97.06525	1.5
101.02365	2.3
103.05467	5.8
105.03381	2.9
105.04517	2.1
105.07039	6.3
107.04951	86.2
107.08599	11.2
108.05314	1.0
109.02169	1.1
109.02876	12.3
109.06520	7.0
111.04449	4.7
111.08073	21.7
115.05440	3.4
116.07210	0.5
116.64560	0.6
117.07014	23.3
119.04948	1.2
119.08558	4.5
121.02853	1.8
121.06502	7.5
123.04436	9.0
123.08067	1.2
125.02356	12.8
125.05976	3.7
127.03873	2.1
131.04938	3.6
133.02835	7.2
133.06497	2.9
135.04408	3.1
135.08049	29.4
137.05969	1.6
139.03896	5.3
139.07556	1.3
141.05447	5.5
145.06482	2.9
145.07481	0.6
149.05977	11.1
151.03899	84.2
151.07501	8.0
152.04288	1.0
153.04263	1.2
153.05444	12.3
153.09073	2.6
159.04425	1.7
163.07539	22.6
165.09122	1.1
167.07040	4.6
169.08621	2.5
171.06567	1.1
177.05461	9.2
177.09088	0.8
181.08588	100.0
182.08865	1.1
195.06548	4.3
195.10179	5.6
213.11163	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	213.1485
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
55.05508	21.4
57.03424	14.6
57.07085	5.3
67.05500	69.3
69.07067	28.2
70.06590	10.2
71.04981	11.4
71.45094	4.4
71.45538	5.4
75.13083	4.2
79.05481	42.7
81.06624	8.3
81.07059	100.0
83.04963	6.3
83.08626	14.8
85.06532	7.3
88.07618	14.0
91.05486	22.6
93.07048	55.6
95.04929	9.6
95.08605	33.2
97.06521	14.9
98.97572	10.6
105.07016	14.4
107.04943	8.3
107.08585	40.9
109.06448	5.9
111.08072	7.2
113.09695	5.5
116.98630	10.3
117.06998	15.5
121.10139	23.3
128.06262	7.1
129.07004	23.2
130.04800	4.2
131.08545	13.8
133.10127	13.7
135.11661	15.8
141.95734	5.0
143.08540	12.8
143.49046	4.7
149.13240	53.3
157.10071	10.8
159.11633	22.9
167.08627	6.9
169.10094	10.9
171.11653	13.5
174.68646	5.2
177.12758	9.2
185.13271	11.1
195.13792	11.8
213.05368	7.9
213.12810	60.1
213.16377	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	213.1484
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.03954	3.4
55.01864	3.8
55.05508	16.9
56.05036	4.3
57.03434	10.5
57.07066	4.0
61.23256	1.8
65.03940	3.5
66.33983	2.0
67.05503	78.6
69.07065	29.0
69.10669	12.3
70.06567	3.4
71.04993	10.8
71.63367	2.0
79.05492	42.7
81.07053	100.0
83.04974	9.3
83.08624	19.4
85.06546	6.5
88.07618	3.7
91.05481	20.7
93.07040	73.2
95.04966	6.1
95.08602	22.0
97.06518	18.3
97.10172	2.8
98.97591	2.7
99.08105	5.5
105.07012	6.2
106.28213	1.9
107.08585	39.3
109.10140	4.8
111.08082	10.2
113.09629	2.9
117.07021	13.2
119.08569	5.5
121.10133	22.9
123.11709	2.7
129.07014	3.0
131.08569	13.5
133.10147	11.9
135.08060	2.3
135.09062	2.0
135.11659	14.8
139.11214	3.0
139.96573	1.8
143.08549	3.0
145.10083	9.7
149.13251	52.8
157.10168	3.6
159.11693	18.7
159.78471	1.9
171.11659	5.8
177.12779	8.3
189.38101	2.1
195.13797	12.1
195.15663	4.7
213.05440	4.7
213.12561	3.6
213.16455	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	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03945	1.8
53.54472	0.8
55.01872	2.7
55.05254	1.2
55.05513	17.6
57.03440	8.1
57.07067	3.1
59.04995	1.4
65.03934	1.9
67.05505	76.8
69.07068	23.0
71.01376	0.8
71.04992	5.2
71.08631	1.0
71.40918	0.8
73.02905	1.0
77.03899	1.4
77.95088	0.7
79.05493	38.0
81.03424	1.7
81.07056	100.0
83.04990	8.1
83.08615	20.2
85.06546	5.6
88.07666	0.7
88.86800	0.7
91.04942	1.6
91.05482	24.0
93.07045	62.6
95.04967	7.2
95.08606	25.6
97.06529	12.0
97.10183	1.5
98.97590	1.1
99.08105	2.7
105.04514	1.3
105.07033	9.3
107.04933	1.0
107.08593	26.5
109.06533	2.3
109.10149	2.6
111.08078	6.0
113.05987	1.3
113.09597	0.8
117.07009	11.9
119.08572	3.8
121.06484	0.9
121.10149	12.6
123.11696	3.7
127.07562	1.1
128.13040	0.8
129.07018	1.1
131.08568	11.4
131.95421	0.8
133.10127	16.5
135.08052	2.1
135.11700	15.6
138.00453	0.8
139.11145	1.4
143.08572	1.2
145.10101	3.0
147.11629	1.0
149.09718	0.9
149.13252	38.4
151.11205	3.1
157.10097	2.5
159.11700	18.8
167.14311	1.2
171.11687	3.9
176.07315	0.8
177.12778	8.2
195.13783	10.2
213.05476	2.8
213.12646	1.4
213.16405	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	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03925	2.0
55.01871	3.1
55.05510	19.3
57.03448	8.3
57.07076	2.7
62.30132	1.4
65.08258	1.6
67.05504	67.4
67.55048	1.4
69.07064	21.9
69.88000	4.4
71.04989	5.6
79.05492	41.4
81.07055	100.0
83.04984	9.2
83.08623	20.6
85.06554	5.6
91.05474	24.9
93.07045	65.9
95.04966	5.6
95.08608	25.2
97.06519	10.6
98.22708	2.5
99.08110	3.1
105.07043	5.7
107.08598	30.2
109.10131	2.3
111.08085	10.1
113.05988	2.0
117.07018	12.1
119.08601	2.3
121.06473	2.0
121.10144	14.9
123.11704	5.7
125.59361	1.6
131.08580	9.5
133.10120	14.9
135.08118	2.4
135.11674	14.7
141.80296	1.6
149.13252	36.8
150.31638	1.5
159.11714	17.0
167.14296	1.8
177.12692	8.1
195.13751	9.1
212.35289	1.5
212.60201	1.5
213.12639	1.5
213.16341	3.1
214.71692	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
52.60237	2.4
55.01871	3.5
55.05513	19.7
56.05027	4.6
57.03431	11.0
57.07088	4.4
57.69138	2.9
67.05503	74.5
69.03413	3.4
69.07071	24.7
70.06569	6.7
71.04984	11.7
71.45243	4.2
77.03870	4.9
79.05487	37.6
81.07058	100.0
81.67397	2.7
83.04989	10.4
83.08628	22.8
83.78072	3.1
85.06546	3.8
88.07630	8.2
91.05479	24.3
92.97709	3.2
93.07039	67.8
94.07380	3.4
95.04961	7.1
95.08603	24.2
97.06544	13.9
98.97588	7.7
105.07035	9.0
107.08600	36.2
109.06507	7.5
109.10167	6.2
111.08092	8.3
116.04385	2.8
116.98654	3.4
117.07027	14.6
119.08601	4.7
121.09408	3.2
121.10122	20.6
123.11655	3.6
123.14223	3.3
128.06169	3.3
129.07002	19.1
131.08534	15.9
133.10129	11.7
134.99666	6.2
135.11726	17.1
136.10022	2.8
141.07091	4.7
142.07794	5.1
143.08556	23.7
145.10132	10.3
147.11711	3.4
149.13249	44.8
154.07741	3.9
155.08617	4.2
157.06454	4.1
157.10146	17.9
159.11676	18.2
160.01683	2.9
162.53529	3.1
164.39499	2.8
165.07028	6.9
167.08522	4.6
169.10129	8.8
171.08017	4.9
171.11729	13.5
177.12793	6.1
180.09439	6.3
185.09767	3.9
185.13280	11.1
195.11716	14.2
195.13817	14.5
195.15540	4.3
202.32756	3.2
209.41151	2.9
213.05437	7.2
213.12880	42.2
213.16478	37.6
219.65430	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	213.1487
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
50.41810	0.6
53.03934	1.0
55.01629	0.9
55.01873	12.1
55.05511	50.7
57.03439	1.7
57.07063	0.8
57.26987	0.6
59.05000	1.1
65.03909	0.9
66.94859	0.5
67.05167	1.2
67.05505	18.8
69.03423	6.3
69.06719	0.7
69.07068	10.3
69.95428	1.4
69.95800	1.1
71.04992	51.9
79.05491	16.9
81.03412	1.4
81.06568	1.0
81.07056	26.1
83.04998	4.4
83.08619	34.9
85.06542	5.8
87.04463	9.3
91.05493	4.9
93.07041	14.2
95.04961	1.8
95.08606	9.9
97.06531	70.4
97.10169	48.3
99.08096	0.6
101.06010	0.7
101.09660	1.4
105.07026	4.2
107.04944	2.7
107.08592	16.9
109.06518	1.6
109.10157	11.4
111.08089	3.3
113.05993	1.1
117.07005	3.7
119.08551	1.1
121.06454	0.9
121.10117	3.6
125.08700	1.5
125.09628	30.1
131.08543	6.1
133.10129	3.5
135.08052	4.1
135.11684	4.4
142.07744	0.7
147.11682	1.3
149.09608	4.8
149.13219	3.5
151.03967	1.2
151.11182	1.0
153.09157	1.1
157.10136	1.2
159.11722	4.0
167.07010	1.4
167.14275	1.0
171.10199	0.8
171.11618	0.8
173.16766	0.7
177.12747	5.5
189.11206	6.9
190.87508	0.7
195.13800	38.9
213.11311	2.9
213.14838	100.0
214.15184	1.0
214.38409	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	Modiolin
Peak:m/z	Relative Intensity
53.03938	1.5
55.01861	2.9
55.05508	9.8
57.03437	3.9
57.07077	1.5
58.21673	0.6
67.05499	8.5
69.03421	2.0
69.07064	14.8
71.04987	6.3
71.08631	2.6
75.04484	1.4
77.03924	1.6
78.04714	1.1
79.05492	13.2
81.03369	0.9
81.07051	22.7
83.01369	0.9
83.04982	6.9
83.08612	7.6
85.06538	100.0
91.05462	6.1
93.07044	35.2
93.07494	0.6
95.04964	3.8
95.08605	15.9
97.06523	14.8
97.10175	1.8
99.04463	1.2
99.08089	12.5
103.05479	2.0
105.04533	0.8
105.07017	7.9
107.04948	19.4
107.08585	17.9
107.63182	0.7
109.02922	0.6
109.06530	2.1
109.10164	4.6
110.94807	0.9
111.00081	0.7
111.04448	1.4
111.08087	5.1
111.11726	1.1
113.06000	1.3
115.05459	1.4
117.07029	0.9
119.08582	8.2
121.06518	2.1
121.10141	65.0
123.04453	2.4
123.08048	1.8
123.11716	2.0
125.05986	2.8
125.09631	1.8
128.06213	0.9
129.05475	4.5
129.07005	1.9
131.08571	1.7
133.06445	1.1
133.10107	1.2
134.24036	0.6
135.08046	5.0
135.11688	2.2
137.05933	1.5
137.09601	2.5
139.03870	0.8
139.07515	2.1
139.11166	15.3
139.12148	1.2
143.08554	2.0
149.06006	0.9
149.09650	1.3
149.13245	24.4
151.03886	4.0
153.09103	1.0
157.06516	0.9
157.10139	1.1
157.12270	1.9
159.11679	8.4
163.07549	7.5
167.07034	28.0
167.08472	1.5
167.14313	11.0
169.10092	0.8
171.11838	0.9
177.12733	18.4
180.07869	0.9
180.09325	0.9
181.04861	1.0
183.11542	0.8
195.08539	0.9
195.10228	6.4
195.11859	1.2
195.13789	16.4
213.05417	0.8
213.09181	1.9
213.12744	3.9
213.14888	10.1
213.16443	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
55.01846	2.8
55.05506	23.3
57.03430	17.3
57.07070	6.6
65.03929	4.1
67.05505	80.6
69.07071	33.6
69.46008	3.1
70.06593	6.6
71.04971	17.1
79.05500	35.7
81.03416	5.2
81.07061	100.0
83.04974	9.9
83.08620	21.5
85.02900	17.7
85.06537	3.4
88.07627	9.5
91.05486	26.2
92.03001	3.2
93.07047	62.2
95.04966	8.9
95.08598	25.3
95.50510	3.3
97.06525	17.2
98.97591	8.2
99.08086	3.7
100.18510	3.1
105.07041	12.3
107.04967	3.3
107.08601	34.7
109.06563	4.7
109.10154	6.9
111.08087	11.9
116.98648	7.0
117.07029	23.4
119.08595	7.7
121.10126	19.9
129.07004	12.9
131.08565	19.6
133.10130	13.7
134.99672	6.9
135.11691	15.7
142.07742	3.5
143.08566	11.2
145.10120	41.2
149.13249	54.0
157.10109	22.7
159.11716	19.5
171.11711	23.7
177.12784	10.5
195.13786	12.2
212.23779	3.4
213.12669	11.0
213.16359	52.6
214.25311	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	213.1487
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
50.78823	5.0
55.01858	7.4
55.05505	19.6
57.03439	12.2
67.05506	80.3
69.07050	26.6
69.15390	6.2
69.68382	10.1
69.68745	13.0
70.06579	6.9
71.04994	9.9
79.05496	39.8
81.07061	100.0
83.04964	12.9
83.08611	23.8
85.06519	10.1
88.07606	18.3
91.05477	22.9
93.07049	77.4
95.04965	12.3
95.08601	21.8
97.06517	12.1
99.08064	6.5
105.07017	9.1
107.08600	39.7
109.10173	6.5
110.75740	5.3
111.08076	11.4
113.56898	5.5
117.07053	7.6
121.10146	22.2
131.08563	10.0
133.10097	13.2
135.11682	17.6
149.13263	50.8
159.11676	29.0
171.11600	6.3
177.12791	8.3
190.03935	8.4
195.13777	13.3
201.27132	6.1
213.16435	17.2
214.25227	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	213.1487
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03949	2.2
54.32366	2.0
54.59900	1.7
55.01859	4.6
55.05510	19.4
57.03440	14.1
57.07075	5.5
65.03951	2.3
67.05505	73.9
69.07064	27.7
69.58353	5.8
71.04995	7.3
71.08623	2.2
79.05494	42.1
79.42502	2.0
80.05826	1.8
81.03423	4.8
81.07059	100.0
83.04990	8.7
83.08617	18.7
85.06549	6.9
88.07624	3.7
91.05474	23.7
93.07044	76.5
95.04970	8.3
95.08614	29.6
97.06533	16.5
98.97567	2.6
99.08129	3.6
105.07050	7.1
107.07087	2.4
107.08600	37.3
109.06520	4.5
109.10160	2.3
111.08091	7.4
113.06060	1.9
116.98632	3.2
117.07042	10.9
119.08562	3.5
120.30691	1.9
121.06472	3.3
121.10150	19.4
123.11697	2.7
124.83775	2.0
129.07031	2.0
131.08559	10.8
132.60638	2.2
133.10143	11.8
135.08012	2.6
135.11703	17.5
149.13254	51.3
154.23976	2.6
157.10133	5.4
159.11673	22.9
171.11708	4.7
177.12735	10.4
181.29974	2.0
195.11848	4.5
195.13814	13.3
195.15520	3.4
213.12714	10.3
213.16515	10.7
214.25235	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20433	16.9
50.28340	16.0
53.25845	19.9
55.05510	35.6
57.03436	28.7
57.07053	26.7
57.86447	16.8
65.44813	18.8
67.05508	99.6
69.07071	20.4
70.06575	23.5
71.34661	18.0
74.33860	17.7
79.05495	70.3
81.07053	100.0
88.07640	42.6
91.05506	24.1
93.07045	90.6
95.08599	28.9
98.97596	38.5
101.75910	19.4
107.08601	55.7
121.10088	19.5
131.08583	26.1
135.11690	23.1
146.05676	18.4
149.13271	35.1
159.11716	31.5
213.12605	26.9
213.16461	42.0
213.20387	18.4
214.25195	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	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
55.01868	2.6
55.05513	15.3
57.03431	19.7
57.07069	2.4
65.80061	1.4
67.05503	67.1
69.07070	18.1
70.06570	2.4
71.01344	7.3
71.04998	11.0
71.17639	1.2
71.42770	1.3
77.03913	2.3
79.05491	53.5
79.05949	3.4
81.03427	10.1
81.07055	30.9
83.04972	16.8
83.08615	4.8
85.06528	6.6
88.07630	3.0
91.05471	19.6
93.07042	70.2
95.04978	7.1
95.08584	8.0
97.06524	18.5
97.10162	8.4
99.08089	3.5
100.13183	1.5
101.46766	1.4
105.07030	3.7
107.04977	1.8
107.07844	1.9
107.08585	35.5
107.09268	2.8
109.10152	5.4
110.95976	1.3
111.08065	3.2
117.06998	6.4
119.08588	9.6
121.10139	15.1
125.09623	2.6
133.10118	6.0
135.11684	100.0
137.09596	5.2
143.08557	2.1
145.10123	18.9
149.13268	1.5
153.12761	4.1
157.10075	2.2
159.11623	2.5
163.11183	16.0
171.11714	2.9
181.12242	21.4
182.62984	1.3
213.16319	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	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03952	2.3
55.01854	2.1
55.05513	14.5
57.03437	23.3
59.60839	1.7
62.82075	1.6
67.05501	74.1
69.07069	18.6
70.06590	4.4
71.01355	8.1
71.04996	11.3
76.49139	1.7
79.05488	51.3
81.03414	9.5
81.07055	31.4
83.04973	19.8
83.08630	5.3
85.06535	5.5
86.91872	1.6
88.07637	6.0
91.05476	23.4
93.06441	3.6
93.07040	69.1
95.04959	9.4
95.08608	8.7
97.06539	19.6
97.10149	8.7
98.97583	2.2
99.08076	4.6
100.07693	1.6
105.07031	5.3
107.04954	2.3
107.08589	39.7
109.10161	7.3
111.08090	3.4
111.11732	2.0
117.07030	8.9
119.08553	11.1
121.10154	15.7
133.10141	6.9
135.08052	2.0
135.11685	100.0
137.09576	3.1
138.16011	2.2
145.10095	19.5
149.13333	3.0
153.12750	2.0
163.11201	14.1
181.12234	18.0
213.08853	1.8
213.16370	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	213.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	6.2
55.05510	18.9
57.07084	11.9
63.38239	1.4
67.05509	5.6
69.03452	3.2
69.07069	100.0
70.39713	1.3
71.04960	1.3
79.05508	4.6
81.07048	9.1
82.13902	1.4
83.04992	2.8
83.08627	7.3
85.06566	1.4
93.07045	7.2
95.04970	2.9
95.08605	17.4
97.06533	5.2
97.10161	10.8
99.08089	1.3
105.62602	1.3
107.04967	4.5
107.08576	9.5
109.10152	4.3
111.08095	4.8
111.11728	20.0
121.10142	13.0
123.11717	1.8
125.09638	6.1
135.11699	6.6
137.13226	9.3
139.11177	16.0
141.06969	1.4
144.05748	2.1
151.03938	3.2
155.14249	1.4
160.22108	1.5
167.07144	1.3
168.21877	1.9
177.16359	9.8
195.17484	4.2
200.84984	1.5
213.08978	9.0
223.15044	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1849
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
55.05516	22.3
57.07082	11.3
62.37294	1.9
67.05502	4.1
69.03422	1.8
69.07070	100.0
69.24850	3.7
69.25238	4.5
71.79389	1.8
79.05491	2.0
79.56115	1.4
81.07053	10.9
83.08604	8.0
85.06535	3.4
93.07037	6.9
95.08602	20.4
97.06548	5.0
97.10188	12.0
99.08102	2.0
107.08591	9.9
109.10129	5.0
111.08084	5.5
111.11720	16.8
114.74943	1.7
121.10141	12.1
123.11686	1.8
125.09627	4.7
135.11720	6.6
137.13283	7.6
139.11197	14.2
150.50468	1.5
177.16382	8.4
195.17499	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	215.0915
Annotation	cantharidic acid
Peak:m/z	Relative Intensity
51.80473	0.9
53.03952	1.8
55.01876	3.4
55.05513	9.3
59.05008	1.9
60.97776	0.9
65.03979	0.9
67.05496	6.3
69.03430	3.9
69.43434	3.2
69.43846	1.5
71.01348	6.9
71.04974	1.2
77.03947	1.5
79.05489	17.2
81.03413	2.0
81.07056	100.0
83.04974	7.7
91.05474	13.0
93.07040	9.5
95.04942	4.5
95.08604	16.8
97.02879	8.3
99.00816	1.9
103.05482	3.5
105.07026	35.6
107.04948	4.4
107.08578	3.4
109.02889	0.9
109.06515	93.8
111.08079	3.1
115.04025	0.9
115.05437	2.2
119.04955	2.3
119.06118	0.8
121.06525	5.6
123.04377	1.0
123.08056	20.0
125.05959	1.1
127.03898	1.9
132.95857	1.3
133.06490	36.8
133.07512	1.8
135.04391	1.3
135.08073	3.0
137.05969	28.4
137.07011	1.4
139.07542	1.1
149.05986	3.3
151.07541	78.7
153.05434	0.9
153.09088	2.5
155.07047	3.7
161.05978	21.8
161.07329	1.3
167.07051	2.4
169.07585	2.4
169.08791	1.2
179.07022	51.4
183.22229	1.0
197.08080	20.0
197.11810	1.8
215.09175	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	215.0916
Annotation	Morindacin
Peak:m/z	Relative Intensity
53.03941	4.3
53.44545	2.0
55.01877	5.5
55.05510	5.7
60.78202	1.7
65.03922	2.1
67.05498	11.5
69.03426	4.7
70.42557	3.8
70.56474	1.9
71.01363	2.7
71.04991	9.2
72.93842	1.9
75.18716	1.8
77.03939	1.7
79.05491	54.7
81.03410	5.4
81.06569	2.5
81.07053	53.5
83.04971	7.9
85.02901	6.9
91.05493	12.2
93.07043	14.2
95.04955	22.4
95.08600	17.8
97.02896	14.7
97.06538	3.0
98.22801	2.8
99.04454	8.3
103.05474	9.2
105.04542	2.5
105.07021	39.1
107.04945	24.5
107.08612	7.7
109.02899	6.7
109.06517	64.6
109.10173	2.1
111.04455	4.8
111.08079	43.1
115.77612	1.7
117.07027	3.4
119.08569	2.3
121.06504	18.2
123.04401	5.0
123.08070	13.6
125.02409	2.0
125.06009	4.1
127.03916	100.0
132.95871	9.2
133.06493	26.5
135.04445	9.7
137.05984	26.3
137.09683	2.9
139.01613	2.0
144.65776	1.8
145.86317	1.7
150.96881	5.8
151.03918	33.4
151.07536	42.3
153.05469	33.3
155.06995	6.0
155.10733	2.0
161.05948	10.3
163.69705	1.8
167.07118	1.8
169.07573	12.5
179.07025	78.7
191.97144	2.7
197.08066	29.6
197.11784	5.8
215.08286	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	215.0916
Annotation	Morindacin
Peak:m/z	Relative Intensity
55.01870	3.1
55.05518	3.3
67.05500	9.7
67.94166	2.0
69.03456	2.8
69.47024	5.4
71.04987	5.1
77.03934	2.3
79.05490	52.9
81.03422	4.2
81.07061	26.4
83.04984	6.2
85.02905	4.0
86.41595	2.2
91.05482	11.5
93.07045	8.6
95.04960	18.1
95.08610	13.8
97.02890	12.6
99.04457	4.6
103.05470	7.2
105.07024	32.1
107.04964	23.5
107.08577	3.5
109.02860	3.9
109.06519	38.2
111.08085	45.3
115.05469	3.7
117.07036	4.4
119.07273	2.2
121.06518	13.2
123.04411	4.3
123.08100	10.6
127.03912	100.0
133.06494	22.2
135.04410	14.9
135.08069	1.9
136.51817	1.9
137.05992	21.1
151.03912	31.8
151.07526	26.5
151.08591	2.8
153.05478	38.5
155.07117	3.6
161.06042	5.7
169.08749	2.5
179.07043	67.0
197.08061	21.9
197.11670	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	215.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20632	0.8
53.30245	0.8
54.80433	1.0
55.01869	3.3
55.05510	1.5
59.04990	2.8
59.09895	0.8
65.03937	7.1
67.05503	47.3
69.03426	3.7
69.07059	2.9
69.95152	1.3
69.95528	2.3
71.01351	1.5
71.04993	3.0
79.05490	14.2
81.07053	26.1
83.01345	7.3
83.04990	2.0
83.05441	0.8
85.02900	3.2
91.05478	40.9
93.03397	1.6
93.07037	3.7
94.04211	5.2
95.04966	100.0
97.02888	3.7
97.06540	6.3
98.22701	1.2
99.04445	4.6
103.03957	1.4
105.07044	1.6
107.04955	7.7
109.06518	78.1
110.06832	1.0
111.04443	2.1
113.02370	3.3
115.03919	4.5
119.04941	21.5
119.06056	2.6
121.06514	1.4
123.08032	1.6
127.03910	24.2
132.95831	1.6
137.05972	47.8
147.04407	13.2
150.96902	1.6
151.07527	5.3
153.05510	1.1
155.07025	1.1
159.07996	0.9
159.14842	1.0
165.05464	24.8
169.07510	1.8
169.08809	0.9
172.08978	0.8
179.07021	26.9
183.06514	11.7
191.97166	0.9
197.08055	4.4
215.07001	1.3
215.10764	2.1
215.14348	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50305	2.4
52.94224	2.4
55.01872	20.1
55.05517	9.1
56.52182	2.6
57.07090	2.8
60.05025	2.2
66.20538	2.6
66.30517	2.6
67.05505	52.5
69.03432	3.6
69.07066	16.9
71.04999	8.3
71.08643	4.1
72.08173	2.5
74.09723	16.1
75.21936	2.5
79.05486	16.5
80.94814	2.5
81.07057	41.7
81.07497	3.3
83.04979	8.9
83.08629	6.0
85.06544	7.8
91.05484	34.2
93.07055	20.3
95.08622	6.4
97.06565	2.8
99.04467	4.9
105.07030	39.7
107.08598	40.2
109.06524	4.6
109.10152	97.9
109.10894	5.3
113.06018	5.2
116.05313	4.4
117.06974	2.4
119.08604	3.9
123.11723	16.1
127.07555	5.4
131.08549	5.3
131.97446	4.1
132.95839	5.4
133.07631	3.3
133.10129	100.0
136.26474	2.6
137.07077	12.9
151.11176	60.1
161.09595	3.3
169.12265	7.5
179.08159	6.8
197.09201	3.8
214.25386	3.2
215.10382	7.7
215.12486	3.5
215.14342	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	216.1596
Annotation	Ethyl 3-(N-butylacetamido)propionate
Peak:m/z	Relative Intensity
55.01875	0.5
57.07071	1.1
61.02918	0.6
67.59006	0.3
69.18571	1.5
72.04510	0.3
72.33548	0.2
73.02915	1.0
82.35858	0.2
83.04984	0.6
86.06080	1.1
86.09704	100.0
89.06038	0.7
97.22033	0.2
98.98463	0.3
99.80850	0.3
101.06029	0.3
110.07299	0.2
111.04446	1.3
116.10732	0.9
127.07511	0.3
128.10715	51.1
129.11024	0.3
142.12263	0.4
147.33958	0.3
155.07036	1.1
170.11758	60.3
171.12149	0.3
173.08113	1.0
174.14879	7.8
216.08521	0.4
216.15976	2.9
217.10660	0.8
223.27582	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0861
Annotation	CHEBI:70632
Peak:m/z	Relative Intensity
50.37982	0.2
55.01868	0.7
55.05257	0.5
55.05508	8.0
59.04992	0.7
67.05498	0.8
68.99787	0.9
69.03424	0.3
69.07076	0.4
69.16340	1.1
69.16738	0.5
73.02912	0.8
79.05502	0.6
80.04335	0.3
81.07053	0.8
83.04978	12.8
83.08629	0.4
85.06543	0.9
87.04480	1.3
89.02382	0.8
89.06037	3.0
91.05468	1.4
93.03421	0.3
93.07025	0.5
95.08590	0.4
98.23457	0.5
99.04447	0.9
101.06013	6.6
105.07014	1.4
107.08586	0.4
109.06523	0.3
111.04439	21.2
113.05983	1.9
115.05464	1.6
117.07002	1.4
119.08591	0.6
127.07565	2.0
128.06229	2.9
129.05473	4.2
129.06976	3.2
130.07776	0.6
131.04900	0.9
131.08540	0.6
133.06485	1.8
133.10141	0.5
137.05952	0.8
141.06990	0.3
143.08545	0.9
145.06461	1.5
146.07248	0.9
147.06516	0.4
147.11584	0.3
155.07025	24.7
156.05722	1.8
157.06458	0.4
157.10056	0.3
159.04431	0.6
159.11662	0.6
161.05954	0.5
168.04193	0.3
171.08023	0.9
171.11766	0.3
173.05931	1.7
173.08086	19.9
174.06763	10.5
189.09094	100.0
190.09435	1.3
199.09679	2.2
199.14822	0.3
216.23225	0.4
217.08583	44.4
217.10696	16.9
217.15747	1.1
217.19585	0.5
218.08887	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.3
57.07076	5.4
58.06598	0.6
62.06085	0.4
69.07063	0.2
69.66160	0.5
69.66542	0.4
69.85313	0.2
70.06591	9.4
71.08630	3.4
71.09460	0.2
74.06100	0.3
88.07631	15.0
102.09174	4.2
106.08666	7.6
129.74596	0.2
156.17441	0.5
174.18529	1.1
200.20093	7.1
218.21146	100.0
219.21530	1.0
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
69.62012	57.0
69.62399	64.7
126.70902	31.3
135.47302	28.2
219.02620	100.0
238.94501	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.05
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.1
55.05495	0.7
56.96555	1.7
59.05003	0.9
61.02925	19.0
70.70569	0.9
71.01353	33.7
71.04984	0.9
75.04479	51.6
83.04967	0.8
84.99258	0.6
85.02897	1.6
87.04466	17.8
89.02387	8.9
90.05542	1.5
98.97596	6.5
101.06002	1.9
103.03938	63.5
111.04446	0.8
116.98623	3.2
131.03392	13.6
134.99658	1.1
154.93227	1.5
155.04611	0.8
159.02885	100.0
161.04463	1.3
172.94211	2.6
187.02359	7.6
187.03925	0.8
190.95235	1.3
190.96997	0.6
203.14265	2.3
219.01736	0.7
219.04977	12.7
219.11313	1.1
219.17455	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	219.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36139	0.7
55.01877	4.9
56.96562	7.6
57.03428	1.3
59.05003	2.6
61.02931	7.6
68.99785	6.7
69.03424	3.4
69.65220	0.9
70.05154	1.2
70.05493	1.5
71.01355	100.0
72.08155	1.9
73.02924	4.4
75.04479	22.0
77.09957	0.8
81.07055	0.8
84.08168	0.9
84.96053	0.9
85.02905	3.4
86.09692	2.7
87.04475	1.3
89.02412	0.7
89.05993	0.7
91.05486	0.8
97.02897	2.8
98.97581	41.2
99.00835	4.8
101.00877	1.9
101.02383	7.9
101.06026	0.9
103.00668	1.1
103.03265	1.7
103.03941	30.6
111.00799	8.8
111.04471	0.8
113.02384	5.6
116.98626	23.2
117.01102	1.2
117.01854	9.3
119.01910	4.5
119.03419	0.9
121.01676	2.5
127.00282	9.7
128.98550	0.7
129.01837	6.1
131.03403	62.5
133.04962	2.7
134.99643	7.0
137.02974	0.8
137.05943	0.9
140.00337	0.9
141.01807	6.5
142.02628	1.8
143.03383	1.2
144.14156	0.7
145.01335	8.3
145.04955	8.3
147.03166	1.4
149.93045	0.8
153.05713	1.0
154.93124	0.9
154.94238	1.2
157.04961	12.6
158.99681	2.4
159.02892	73.6
172.94279	2.4
173.04480	1.5
177.00743	8.3
177.04124	1.1
190.95226	1.0
191.05550	1.2
195.01750	1.7
195.05345	1.0
195.95984	1.4
197.55357	0.9
201.02515	4.4
203.14330	3.4
219.01746	8.5
219.03571	3.5
219.05397	1.6
219.11363	1.8
219.17426	11.8
237.02965	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15039	0.5
55.01881	3.5
55.05497	0.8
56.96552	1.9
59.01367	0.9
59.04996	1.0
61.02928	19.4
67.05494	0.7
69.03423	0.6
69.85798	1.7
71.01354	32.4
71.04984	1.4
73.06562	1.3
75.04482	47.2
76.58745	0.5
81.37094	0.5
84.99287	0.7
85.02901	1.8
87.04471	15.6
89.02394	8.2
90.05563	1.4
98.97581	7.8
101.06010	1.7
103.03942	60.3
111.04433	0.7
116.98643	2.1
117.01843	0.8
117.88074	0.6
131.03400	12.6
134.99684	0.9
154.93181	1.7
157.07509	0.9
159.02888	100.0
160.03230	0.8
161.04391	1.2
161.11090	0.5
168.66394	0.6
172.94266	2.3
177.00739	1.0
183.10181	0.7
187.02342	9.1
190.95340	1.4
203.14345	1.3
219.04990	10.2
219.11372	1.0
219.17412	7.7
228.80597	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.01859	0.9
55.05499	2.4
56.58396	0.6
57.03422	1.2
59.20907	0.7
67.05502	2.4
69.07063	1.0
69.80276	2.2
71.04989	2.4
72.60989	0.7
79.05487	3.1
79.41140	0.7
81.03421	0.8
81.07063	5.5
83.04969	0.9
91.05476	10.3
93.07050	5.2
95.04956	1.1
95.08611	3.8
95.89674	0.7
97.06549	1.4
103.05460	1.9
105.07041	12.8
107.04998	0.8
107.08589	4.2
109.10142	2.4
111.04439	1.4
115.05460	8.1
116.06206	2.9
117.07050	4.3
119.07852	0.7
119.08568	4.8
121.06541	1.5
121.10123	3.6
123.11680	1.6
125.09632	2.0
126.54547	0.8
128.06223	7.8
129.07005	32.0
130.07779	2.4
131.04921	7.6
131.08566	35.4
133.06502	1.2
133.10132	24.7
133.11147	1.4
135.08076	1.1
135.11749	1.7
137.05978	3.4
137.09607	1.2
141.06992	25.9
143.04910	1.9
143.05984	0.9
143.08568	2.8
144.05750	5.3
145.06476	7.4
145.10121	5.8
146.07259	3.6
147.11702	3.4
157.06474	17.7
157.07655	1.2
158.07274	17.6
159.04417	5.6
159.08061	21.6
159.11699	4.1
160.05182	4.5
161.05869	0.9
161.09607	3.5
161.13252	2.6
163.07549	2.1
169.06474	12.9
169.07726	1.6
170.07245	5.7
171.04373	0.8
171.08061	1.6
173.05981	3.5
173.09660	1.0
173.13274	1.6
174.06761	60.8
175.07510	10.8
185.05972	1.2
186.06766	14.9
187.07491	1.2
188.08336	2.7
189.09100	82.7
190.09372	1.2
191.07054	1.1
191.10619	5.2
201.09099	31.7
201.12642	1.1
201.16357	3.8
219.10158	100.0
219.13742	6.0
219.17363	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	219.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35898	0.7
53.03940	1.1
55.05493	2.1
57.03418	1.0
57.07064	0.9
67.05496	3.3
69.07072	1.8
70.19142	0.7
71.04980	2.3
78.54368	0.7
79.05479	3.0
81.07050	6.9
83.04968	1.6
85.06501	0.8
85.29196	0.7
88.72704	0.8
91.05473	11.5
93.07018	4.1
95.04996	0.9
95.08591	2.5
97.06538	0.9
103.05452	2.2
105.07034	13.0
107.08577	4.5
109.06499	0.8
109.10162	2.1
115.05465	6.3
116.06210	2.6
117.06992	3.6
119.08541	5.0
121.06499	1.2
121.10143	3.4
125.09615	3.1
127.11214	0.9
128.06224	6.1
129.06995	26.3
130.07782	1.9
131.04922	6.3
131.08569	30.5
133.06549	0.9
133.09178	1.5
133.10129	22.0
135.11707	1.3
137.05954	2.9
137.09608	1.2
141.06995	23.4
143.04900	1.4
143.08530	1.4
144.05676	4.1
145.06462	5.8
145.10106	4.6
146.07275	3.5
147.08041	1.1
147.11655	3.0
155.06010	1.1
156.05684	0.9
157.06487	16.0
157.07664	1.6
158.07275	17.0
159.04402	4.6
159.08058	20.2
159.11694	5.4
160.05194	4.6
161.09633	3.8
161.13271	1.9
162.06841	0.9
162.10365	1.1
163.07544	1.2
163.11154	0.9
168.05682	1.7
169.06470	12.2
169.07712	1.5
170.07265	5.8
173.05997	3.8
173.13257	1.8
174.06761	57.5
175.07547	8.2
175.14830	1.2
177.05583	0.8
186.06775	13.6
187.07402	1.0
188.08325	2.9
189.09102	77.3
191.06938	1.7
191.10632	6.0
201.09094	31.9
201.16301	4.0
219.10152	100.0
219.13719	4.6
219.17374	11.5
220.10513	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05497	3.7
57.03422	1.3
63.20455	0.8
64.35968	0.8
67.05507	1.0
70.73893	1.4
71.04978	1.6
79.05474	1.8
80.76726	0.7
81.07031	1.2
91.05481	8.4
93.07038	2.2
95.08601	1.0
103.05463	2.3
105.07020	6.9
107.08588	1.7
109.10181	1.2
115.05463	7.3
116.06219	2.9
117.07006	2.7
119.08569	2.7
121.10161	5.6
128.06215	7.3
129.07004	32.4
130.07785	1.8
131.04906	8.0
131.08568	34.4
133.10123	16.8
135.11674	1.1
137.05963	3.7
141.06992	30.4
142.07715	1.2
143.04962	1.8
143.08554	1.4
144.05711	4.4
145.06511	5.1
145.10112	2.5
146.07263	4.6
147.11685	2.6
157.06480	21.2
158.07262	17.2
159.04384	3.0
159.08054	22.0
159.11652	4.0
160.05179	4.4
161.05954	1.6
161.09624	3.1
161.13243	1.1
163.07529	2.4
168.05647	1.6
169.06482	11.2
169.07719	1.4
170.07254	6.2
171.04362	0.9
171.08017	1.1
173.05983	4.4
174.06760	64.5
175.07553	10.0
185.06146	0.9
186.06755	16.7
187.07523	1.6
188.08296	2.5
189.09097	80.8
191.06956	1.3
191.10654	6.8
201.09100	37.0
201.16399	3.5
219.10153	100.0
219.17355	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	219.1743
Annotation	Z-gamma-Atlantone
Peak:m/z	Relative Intensity
53.03942	1.1
55.01860	1.2
55.05263	0.5
55.05509	6.9
56.96552	1.0
57.03434	0.9
57.07065	0.5
60.39692	0.3
65.03931	0.8
67.05501	20.7
69.03408	1.2
69.07063	4.8
69.12789	0.3
71.04980	0.9
77.03922	0.9
79.05490	24.0
81.03420	2.9
81.07052	20.6
83.04961	1.0
83.08603	2.3
85.06520	0.7
91.05475	26.0
93.07040	23.6
93.07505	0.2
94.07376	0.3
95.04971	4.2
95.08600	12.4
97.06534	2.0
97.10147	1.3
99.08076	0.6
103.05458	0.4
105.04533	1.4
105.06350	0.6
105.07024	10.2
107.04951	7.0
107.08590	12.1
109.06490	1.3
109.10143	4.9
111.08076	0.5
113.09595	0.4
115.05415	0.4
117.07015	10.3
119.08569	8.2
119.44393	0.3
121.06500	4.1
121.10138	8.4
123.08066	1.9
123.11681	0.8
125.09678	0.4
129.07004	0.4
131.08562	14.8
133.10109	4.7
135.08066	0.6
135.11685	4.2
137.09607	1.0
145.10112	6.8
147.11703	1.0
149.09630	0.6
149.13239	0.7
153.12784	0.7
154.93181	0.3
159.11702	3.0
161.13271	0.9
163.07455	0.4
172.94269	1.3
173.13269	1.5
176.54892	0.3
190.95276	1.8
191.18016	0.4
195.96004	0.3
201.16405	3.3
213.96941	0.6
219.17427	100.0
220.17728	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03926	1.1
55.05516	5.7
56.28721	0.8
57.07067	2.6
58.07407	1.0
61.86023	0.8
67.05505	6.4
69.07058	3.6
69.58121	0.9
70.06580	3.3
71.04996	10.3
74.09132	0.7
77.03931	1.2
79.05491	14.0
81.07059	20.4
83.04968	2.1
83.08603	1.5
85.06507	1.0
88.07623	4.4
89.07961	1.7
91.05477	23.2
93.07040	14.8
95.04953	2.2
95.08601	7.4
97.06526	2.3
99.08057	1.3
102.09148	1.0
103.05452	1.5
105.07029	61.1
106.08659	3.1
107.08582	11.4
109.10168	4.2
115.05363	1.2
116.06261	0.9
117.07006	4.9
118.07796	1.9
119.08579	10.7
121.06501	2.2
121.10135	8.8
123.08066	1.3
123.11719	2.1
125.09623	19.2
129.06993	1.0
131.07655	1.2
131.08569	12.4
133.10124	100.0
135.08119	0.9
135.11682	2.8
139.11203	1.4
143.08478	0.9
144.09331	1.1
145.10123	11.4
147.11691	7.4
159.11674	12.5
161.13289	6.2
163.11172	0.9
173.13271	3.0
174.06805	1.0
175.14825	1.3
177.16342	1.0
189.09134	1.1
201.16376	11.6
201.20352	1.9
218.21176	2.7
219.10191	1.1
219.17444	16.0
219.21472	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	219.1744
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03928	1.4
55.05515	7.6
57.07066	2.1
58.06580	0.8
58.07407	0.9
67.05512	5.5
69.07071	4.3
69.12151	4.8
70.06572	3.1
71.04992	13.0
71.08620	1.0
77.03937	1.1
79.05491	13.5
81.07052	20.5
83.04975	2.8
83.08598	1.1
87.51704	1.0
88.07628	4.7
89.07954	1.7
91.05479	23.1
93.07040	19.2
95.04971	1.7
95.08591	6.3
97.06533	3.5
97.10204	1.0
102.09147	1.5
103.05470	1.4
105.07027	68.6
106.08666	3.2
107.08559	9.9
107.84169	0.8
109.06510	1.5
109.10143	4.7
111.08036	1.2
115.05413	1.7
115.40619	0.9
117.06979	5.7
118.07784	0.9
119.08569	9.0
119.46492	0.9
121.06518	1.4
121.10150	8.4
123.08051	1.0
123.11674	0.9
125.09634	16.8
129.06981	1.2
130.07759	1.1
131.08566	9.7
133.10124	100.0
135.11676	2.3
145.10107	12.6
147.11661	7.6
149.13266	1.3
159.08086	1.3
159.11668	10.8
161.13284	7.2
163.11118	0.9
171.11630	0.9
173.13330	1.4
174.06712	1.6
180.86879	0.9
189.09073	1.3
201.16418	10.9
201.20432	2.9
218.21120	2.1
219.10144	1.8
219.14018	0.8
219.17477	17.4
219.21472	47.2
223.17259	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
55.05505	7.1
57.07069	1.2
67.05509	7.2
69.07059	5.0
69.36282	4.7
71.04996	17.7
78.00574	1.0
79.05489	12.9
81.07057	17.7
83.04976	4.3
83.08616	3.0
85.06555	1.7
85.37184	1.2
91.05482	26.0
93.07049	22.1
95.04961	3.3
95.08604	14.0
97.06541	3.7
99.08092	1.1
103.05437	1.7
105.07031	83.1
107.04982	1.0
107.08590	17.6
109.06497	1.3
109.10143	9.9
111.08135	1.2
115.05463	3.6
116.06287	1.1
117.07024	7.7
118.07761	1.9
119.08585	25.8
121.06514	2.6
121.10147	9.4
123.08058	2.3
123.11681	3.7
125.09642	14.8
127.11230	1.5
128.06206	2.0
129.06996	5.2
130.07788	1.6
131.08577	17.5
133.10129	100.0
134.10489	1.2
135.08136	1.4
135.11696	3.9
136.35152	1.2
137.09641	3.2
141.06953	3.6
144.09364	1.0
145.06516	1.6
145.10115	14.7
147.08090	1.3
147.11682	10.9
149.13249	2.4
157.06509	2.0
157.10159	1.3
158.07262	1.6
158.10904	1.7
159.04350	1.4
159.08046	3.0
159.11708	18.6
161.13275	10.1
163.11180	3.5
169.06407	1.4
173.13214	6.9
174.06790	5.1
175.07553	12.4
175.14862	2.8
177.12724	2.0
186.06689	1.2
189.09062	5.9
191.14304	1.8
201.09091	2.8
201.16362	17.8
204.20905	1.1
219.06279	1.1
219.10110	8.9
219.17441	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	219.1744
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
55.05499	8.9
60.60965	1.5
67.05494	8.7
69.07050	5.8
71.04635	2.3
71.04991	24.2
73.46994	1.5
75.19695	1.5
79.05492	12.7
79.13567	1.4
81.06623	2.5
81.07058	27.1
83.04973	4.0
83.08599	1.9
85.06544	3.6
85.46574	1.4
91.05478	23.0
93.07046	25.1
95.04942	2.7
95.08604	17.5
97.06517	6.9
97.10130	2.2
103.05412	3.3
105.04501	1.5
105.07025	68.1
105.07738	3.4
107.08584	24.2
109.06508	3.7
109.10165	9.6
111.08051	2.5
115.05434	3.5
117.07005	7.8
118.07805	2.4
119.08574	30.1
121.06506	2.0
121.10131	13.3
123.08067	5.3
123.11705	5.3
125.09624	15.7
129.06984	4.9
130.07747	1.8
131.04865	3.1
131.08582	21.1
133.10124	100.0
135.08028	2.3
135.11670	7.0
137.09550	3.6
141.06958	3.5
145.06462	3.0
145.10127	15.8
146.62311	1.7
147.11662	17.7
149.09596	2.3
149.13266	3.8
149.59439	1.7
156.19202	1.4
158.07320	1.8
159.04407	4.6
159.08066	5.5
159.11710	21.5
161.13268	11.9
163.07556	2.3
163.11192	4.7
169.06451	2.3
173.13254	8.9
174.06793	8.6
174.08092	1.6
175.14732	3.8
177.12733	4.1
186.06778	2.4
187.07605	2.3
189.09067	10.5
191.06999	2.6
191.10815	1.8
191.17932	2.2
201.09138	6.0
201.12813	1.6
201.16376	21.9
219.06528	4.6
219.10072	17.3
219.13870	4.3
219.17433	64.0
231.74463	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	Z-gamma-Atlantone
Peak:m/z	Relative Intensity
53.03942	0.8
55.01865	1.5
55.05257	0.5
55.05510	5.8
56.96552	1.3
57.03428	0.8
57.07067	0.7
65.03931	0.8
67.05504	17.9
67.10562	0.4
69.03421	0.6
69.06719	0.4
69.07064	4.2
69.67428	0.5
69.67751	0.7
71.04983	0.7
77.03918	0.8
79.05492	20.8
81.03417	2.7
81.07055	18.0
83.04987	0.9
83.08631	2.3
85.06559	0.8
91.05482	23.3
93.07043	20.4
93.07493	0.2
95.04976	4.3
95.08608	10.7
97.06516	1.6
97.10123	0.8
105.04514	0.8
105.06348	0.5
105.07027	8.6
107.04951	5.8
107.08593	11.4
109.06512	1.3
109.10168	4.4
111.08084	0.4
113.09620	0.6
117.07020	8.0
119.08574	6.9
121.06515	3.8
121.10142	7.0
123.08080	1.8
123.11685	0.7
129.07030	0.4
131.08563	14.0
133.10133	4.1
135.08046	0.8
135.11679	3.5
136.93970	0.4
137.09595	0.8
145.10124	6.9
146.06004	0.4
147.11691	0.7
149.13255	0.9
154.93198	0.4
159.11694	3.1
161.13226	0.8
163.11249	0.4
172.94284	1.4
173.13283	1.7
175.14908	0.4
190.95363	1.8
191.17937	0.5
195.95947	0.4
201.16385	2.8
203.14497	0.4
213.96687	0.5
219.17436	100.0
220.17789	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1696
Annotation	Fabianine
Peak:m/z	Relative Intensity
63.82501	0.1
69.79194	0.4
75.95101	0.1
82.25333	0.1
89.12515	0.1
112.78559	0.1
118.06541	8.0
119.07305	0.3
120.08129	0.2
132.08063	2.5
132.08955	0.2
133.08881	1.1
134.09636	0.6
144.08119	0.3
146.09644	2.3
147.10408	0.3
148.11249	0.2
160.11211	0.4
162.09140	5.1
168.04811	0.1
170.31158	0.1
176.10788	3.3
176.14336	26.5
177.11478	1.3
177.14676	0.2
189.15154	0.1
190.12236	2.6
191.12961	0.3
202.15906	0.9
204.13797	0.2
217.62865	0.1
220.16951	100.0
221.17326	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48163	0.6
56.96563	4.8
57.07077	1.6
58.96162	0.6
58.99868	1.1
60.27047	0.6
77.00893	0.6
77.73744	0.7
80.96461	0.5
82.01448	27.1
82.99848	0.6
98.96984	0.8
98.97591	12.8
100.02488	66.1
101.00879	5.7
101.02608	0.8
101.98425	0.6
107.04953	0.6
112.73323	0.6
116.98641	7.2
118.03527	53.6
119.01925	28.1
121.01675	0.7
123.04083	0.8
134.99675	2.5
136.04561	26.1
137.02969	6.6
138.91754	0.7
138.96407	0.7
141.05125	0.8
141.91959	0.6
142.03506	4.9
152.05577	0.5
156.92839	1.7
156.96509	1.6
156.97569	6.0
160.04579	2.4
160.99782	0.6
161.02969	8.5
161.04517	0.8
161.97043	0.9
174.93771	3.3
174.98727	3.4
177.00922	1.0
179.00682	5.9
179.04024	10.4
179.98097	38.6
192.95004	2.1
194.96503	3.8
195.98149	0.6
197.99170	100.0
198.48447	0.9
198.99373	0.8
202.99525	4.6
203.96979	4.0
204.47125	0.7
204.96918	0.6
205.15935	0.9
207.49072	1.5
212.92238	1.3
216.00208	31.3
216.99599	2.5
220.17761	0.8
221.01883	29.7
238.95412	0.6
239.02101	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1537
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
50.00621	0.5
51.02383	0.6
53.03706	0.5
53.03947	2.3
53.90975	0.5
55.01874	1.5
55.05512	7.8
57.07074	0.6
57.13035	0.5
59.04998	1.4
64.07948	0.5
65.03934	1.3
66.46496	0.4
67.05505	11.5
69.07069	9.7
69.87708	1.8
71.04987	2.1
73.06556	1.5
75.61346	0.5
77.03918	3.6
77.60543	0.5
79.05492	50.9
81.07057	32.2
83.04984	1.9
83.08616	4.5
85.02891	0.6
85.06546	3.3
87.04463	1.2
87.08137	0.5
91.05481	37.4
93.07044	100.0
95.04964	12.0
95.08606	14.8
97.06524	2.1
98.97596	1.5
101.06014	1.1
105.04526	5.0
105.06453	0.4
105.07030	30.1
107.08593	65.6
109.06518	4.1
109.10177	0.8
110.84822	0.6
111.08079	0.5
116.67590	0.5
116.98585	0.5
117.07020	3.7
119.06120	1.2
119.08583	31.3
121.06527	2.6
121.10146	13.2
123.08068	4.0
127.07567	0.9
128.06230	0.7
129.06976	3.0
131.08575	5.9
133.06520	0.8
133.10132	8.6
135.08069	2.0
135.11705	1.2
139.07544	0.6
143.08557	6.8
145.10107	1.0
147.08067	2.7
147.11693	3.2
153.09123	0.6
157.10095	3.1
159.11690	6.0
161.09644	3.6
161.13257	26.3
165.09113	2.0
175.11212	4.9
175.14830	5.2
185.13249	16.1
198.98956	0.6
203.14330	9.0
221.15367	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03954	1.7
55.05509	8.6
56.04610	1.5
57.07074	3.2
67.05504	6.1
69.07076	9.0
69.86304	4.2
71.04990	18.5
74.50411	1.7
79.05492	18.0
81.07056	66.3
83.08634	4.2
87.62208	1.8
89.28123	1.7
91.05481	11.4
93.07043	37.3
95.08614	21.4
97.06541	2.2
97.10154	1.9
99.08104	4.8
104.98111	1.8
105.07027	29.4
107.08591	54.8
109.06495	2.9
109.10151	20.0
111.08062	2.1
113.09700	2.5
115.05480	1.9
119.08575	44.6
120.23164	1.5
121.09358	1.9
121.10078	8.2
123.11694	15.0
125.09591	1.6
127.11190	7.0
129.79369	1.9
133.10126	22.6
135.11691	100.0
137.09622	2.3
137.13231	1.9
145.10194	2.6
147.07999	1.9
147.11691	20.7
149.13260	5.2
159.11610	1.8
161.05945	3.0
161.13237	12.9
163.14813	3.3
165.12717	2.6
175.07541	2.6
175.14830	4.7
177.09129	2.6
177.16418	2.2
190.73923	1.8
196.95784	1.7
203.07043	3.8
203.14401	2.2
203.17941	33.5
221.08127	2.5
221.15456	4.1
221.18990	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03935	2.8
55.05520	7.4
56.13729	1.6
57.07071	4.0
59.04959	1.6
61.77130	1.4
67.05520	6.6
69.07052	8.1
69.12915	3.4
69.13315	5.8
71.04988	18.2
72.14148	1.4
79.05486	18.3
80.82513	1.3
81.07055	78.3
83.04946	2.2
83.08609	3.9
91.05477	10.1
93.07042	39.0
95.04958	1.9
95.08617	20.1
97.06544	2.1
99.08101	3.1
103.40187	1.5
105.07031	25.8
107.08590	64.1
109.06519	1.8
109.10162	19.5
111.08015	1.9
117.07021	1.8
119.06103	1.4
119.06870	1.9
119.08572	40.4
121.10146	5.6
123.11698	14.3
127.11185	5.2
133.10115	24.6
133.21687	1.3
135.11693	100.0
136.11957	1.3
137.09647	2.0
140.88248	1.3
145.10030	3.1
147.11685	19.0
149.13283	6.4
151.11093	1.9
161.13260	8.8
162.06734	1.4
163.14897	2.0
175.14871	1.7
177.09119	44.0
177.14671	8.1
177.16158	2.0
179.14291	1.7
201.79295	1.7
203.17938	31.5
204.72690	1.3
221.17238	27.5
221.19051	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03944	2.1
55.05508	9.6
57.07065	2.8
65.03922	1.3
67.05507	7.1
69.07075	9.3
71.04624	1.7
71.04993	18.2
78.07829	1.0
78.73055	1.2
79.05492	18.7
81.07056	83.9
83.04972	1.4
83.08613	3.9
91.05480	9.3
93.06451	2.2
93.07040	37.5
95.04981	2.6
95.08605	23.7
97.06506	2.0
97.10134	1.4
99.08091	5.0
105.07023	28.7
107.08593	59.8
109.06490	2.1
109.10152	19.1
111.08086	1.3
113.09624	1.7
113.54182	1.3
117.06980	1.2
118.06601	1.3
119.06861	2.3
119.08581	45.7
121.10129	7.9
123.08083	2.3
123.11707	13.6
125.09649	1.5
127.11222	7.3
129.48041	1.1
133.10118	25.3
135.11688	100.0
137.09644	2.9
137.13260	3.1
145.10049	3.2
147.08006	2.0
147.11691	18.0
149.02367	4.1
149.13248	6.2
151.11188	3.0
153.12827	1.1
157.08835	1.1
159.11714	1.5
161.13231	9.5
163.09528	1.7
163.14816	4.0
165.09088	1.6
175.14772	2.6
176.14392	2.0
177.14723	9.0
177.16232	2.1
181.65288	1.1
191.12697	1.4
203.16286	1.4
203.17944	32.1
221.15086	2.8
221.15488	1.6
221.17253	41.8
221.19048	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.23325	0.5
53.03940	1.3
55.05507	9.8
57.07065	2.9
65.03940	1.2
66.04693	0.7
66.06730	0.6
67.05500	7.2
67.81593	0.6
69.07061	8.6
69.41351	2.4
71.04990	17.4
72.87528	0.6
73.06565	0.8
77.03936	0.7
78.25713	0.5
79.05490	18.2
81.07052	74.0
83.04968	1.0
83.08620	3.7
85.06560	0.9
91.05474	8.5
93.07038	33.0
93.79812	0.6
95.04971	1.8
95.08601	20.6
95.09214	1.0
97.06528	1.5
97.10170	1.9
98.04060	0.5
98.22684	1.3
99.08078	4.3
105.04514	1.1
105.06480	0.4
105.07021	22.0
107.08588	59.8
109.06508	1.6
109.10150	17.0
111.08154	1.1
111.11677	0.7
113.09632	0.9
117.07034	1.4
119.08578	38.4
121.10138	6.6
123.08073	1.5
123.11700	16.2
125.09673	0.6
127.11193	6.5
131.08582	0.9
133.10120	21.6
135.11684	100.0
137.09610	2.0
137.13237	2.7
145.10132	1.5
147.11679	16.5
149.02325	9.2
149.13222	5.8
149.14113	0.5
151.11206	2.9
153.12738	0.9
154.51450	0.6
159.11725	1.1
160.12515	1.1
161.13248	10.2
163.14842	2.9
165.09138	1.0
165.12784	1.9
166.32199	0.5
175.14842	1.9
176.89714	0.6
177.14746	0.7
177.16359	1.5
193.08617	0.6
197.62244	0.6
203.17941	32.4
204.18393	0.6
221.15347	1.3
221.17270	2.7
221.19028	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.06311	0.6
53.03949	1.2
55.05510	6.7
57.07065	2.2
59.04980	0.6
65.03941	0.7
67.05505	5.0
69.07067	6.8
69.41998	1.8
69.42384	1.2
71.04988	18.2
73.06559	1.0
77.03923	1.3
79.05486	16.3
81.07053	70.6
83.05006	0.8
83.08620	3.5
85.06551	1.1
91.05474	7.2
93.07040	33.7
95.04991	1.0
95.08602	17.7
97.06512	1.8
97.10162	1.9
98.22651	1.2
99.08086	3.7
105.04552	0.7
105.07022	20.0
107.08587	53.0
109.06509	1.9
109.10149	16.1
111.08083	1.7
111.11725	0.9
113.09651	0.9
117.06983	1.4
119.06080	0.9
119.08575	36.0
121.10161	5.4
123.08097	0.9
123.11701	13.3
125.09647	1.2
127.11185	8.1
133.10123	19.7
135.11685	100.0
137.09651	1.5
137.13261	1.3
139.11156	0.8
145.10129	2.3
147.11681	15.5
149.13254	5.8
151.03908	1.0
151.11201	2.5
161.13226	8.3
163.14812	2.7
165.12778	1.2
175.14841	2.6
177.16341	0.7
201.12788	0.6
203.17940	31.5
213.09129	0.6
221.17313	1.4
221.19006	28.4
221.21893	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.39101	0.9
53.03940	1.5
55.05506	7.1
57.07069	1.9
59.04995	1.1
67.05492	6.1
67.94926	0.9
69.07069	5.9
69.40655	3.9
71.04992	12.2
79.05492	16.2
81.07055	60.8
83.08618	3.6
91.05476	8.3
93.07043	27.7
95.04997	1.1
95.08608	16.7
97.06535	1.4
99.08089	3.6
100.04821	1.1
105.07032	15.9
107.08591	50.2
109.06536	2.2
109.10137	13.6
113.09615	1.1
119.06111	0.9
119.08578	31.3
121.10140	6.6
123.08051	1.0
123.11708	12.5
127.11199	6.5
133.10133	19.6
135.11690	100.0
137.09596	1.8
137.13240	1.9
144.65092	1.0
145.10159	1.6
147.11682	15.1
149.13254	5.0
151.11198	1.5
157.10320	0.9
161.13261	9.2
163.14804	1.4
173.44458	1.0
175.14856	2.3
203.17958	29.1
221.15617	1.7
221.18982	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
55.01873	2.9
57.03441	6.6
65.03948	0.8
66.38554	0.8
66.39615	0.7
67.05497	1.2
69.03432	34.4
69.19365	0.9
71.01350	10.7
71.04998	3.5
71.43264	1.1
77.03947	2.4
79.05494	78.0
81.03429	2.3
81.07069	1.7
83.01349	1.2
83.05002	1.3
83.08607	0.8
85.02908	2.4
87.04492	1.1
91.05482	16.1
93.07049	2.6
95.04957	5.9
97.02894	7.9
98.51624	0.8
99.04454	10.6
103.05469	1.5
105.04504	1.1
105.07055	3.0
107.04957	100.0
107.08590	1.9
108.05333	0.8
109.02841	0.9
109.06548	3.3
109.16631	0.8
111.89437	0.9
117.05489	5.4
117.07035	1.4
119.08591	1.3
121.06509	2.3
121.10165	1.1
123.04408	0.9
125.02448	0.9
125.09644	3.6
127.03876	0.9
131.04900	2.1
133.06430	1.0
135.04430	1.0
135.08110	1.8
137.06018	1.7
145.06554	1.0
145.10100	0.8
149.02396	3.0
149.09686	2.4
159.11746	1.2
163.03925	1.7
163.07542	2.2
163.11180	1.6
164.07062	1.1
165.05457	5.4
167.07123	1.2
177.05487	1.5
177.12723	1.5
191.06876	1.1
205.12303	2.4
223.05862	1.1
223.07973	1.7
223.13397	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	223.1329
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03934	3.4
55.01862	6.7
55.05260	1.0
55.05509	18.9
57.03436	6.8
57.07061	1.5
59.04987	0.7
59.33703	0.7
61.77032	0.6
65.03928	2.5
67.05502	41.1
69.03417	2.1
69.07064	13.7
69.09920	3.0
69.10334	1.8
71.04977	3.3
77.03915	1.4
79.05490	37.0
81.02970	1.3
81.03413	18.2
81.07053	41.9
83.01326	2.0
83.04979	24.1
83.08614	11.1
85.02904	17.3
85.06536	3.3
87.04390	0.8
91.05476	41.5
93.07042	34.2
94.04171	2.8
95.04967	41.0
95.08604	14.3
97.02860	2.2
97.06535	9.6
97.10159	1.0
98.97547	1.1
99.04471	1.0
99.08076	1.9
103.05418	1.9
105.04491	2.4
105.06345	1.4
105.07025	16.9
107.04944	14.3
107.08594	10.5
109.02853	3.9
109.06507	7.2
109.10148	2.8
111.04440	9.6
111.08087	5.4
113.06008	2.0
115.05456	2.3
117.07017	31.0
119.04941	1.8
119.08568	4.0
121.06510	6.6
121.10156	5.8
123.04406	3.4
123.08032	3.8
125.05996	4.6
125.09582	1.0
127.07540	1.5
128.06213	2.0
129.06993	4.1
130.07776	1.1
131.08559	23.1
133.10123	11.9
135.04436	0.8
135.08012	2.6
135.11690	7.1
137.05963	1.7
141.06964	5.4
143.08537	3.0
144.09329	1.7
145.06479	2.0
145.10115	6.7
147.08047	1.2
147.11736	1.3
149.02348	3.3
149.09595	1.8
149.13229	5.7
151.11185	2.3
154.07802	2.0
157.10114	1.6
159.08051	1.7
159.11685	25.9
160.03085	0.8
161.09604	2.9
163.11151	2.2
167.04686	0.8
169.10117	5.9
169.56445	0.8
177.11298	1.3
177.12753	17.6
187.11151	9.2
195.13870	1.9
205.10284	1.7
205.12224	36.1
223.13275	100.0
224.13577	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
52.79300	0.3
53.03941	2.2
55.01873	3.0
55.05257	0.5
55.05511	8.6
57.03442	1.8
57.07071	0.4
57.50129	0.3
62.71280	0.3
63.59128	0.3
63.77324	0.3
65.03936	1.3
67.05504	19.7
69.03414	1.1
69.07068	6.4
69.09142	1.6
69.09546	0.5
71.04982	1.2
77.03922	0.4
79.05491	14.4
81.03414	13.3
81.07055	19.9
83.01327	0.4
83.04980	9.7
83.08618	5.1
85.02905	5.0
85.06541	1.3
86.89635	0.4
91.05479	14.2
93.07045	13.2
94.04189	3.0
95.04967	22.2
95.08603	7.7
97.02882	1.0
97.06532	3.3
97.10115	0.5
98.97536	0.5
99.08107	0.8
103.05468	0.7
105.04520	0.8
105.07034	6.1
107.04948	8.8
107.08587	4.1
109.02869	1.2
109.06513	3.2
109.10133	1.1
111.04452	2.6
111.08077	1.9
113.05973	0.5
115.05431	1.0
116.06249	0.4
116.98641	0.6
117.07021	10.8
119.04924	0.7
119.08565	1.9
121.06503	3.1
121.10155	2.1
123.04408	1.3
123.08081	2.2
125.05987	1.7
125.09696	0.5
127.07576	0.7
128.06157	0.6
129.06993	1.5
130.07739	0.3
131.08563	8.1
133.06509	0.3
133.10121	3.0
135.04448	0.5
135.08055	1.5
135.11688	3.2
139.07565	0.7
141.06958	2.1
143.08578	0.7
145.06511	1.9
145.10139	2.9
149.02351	1.3
149.09633	0.6
149.13269	3.3
151.11159	0.7
154.07787	0.7
157.10144	0.8
159.08018	0.7
159.11681	8.6
161.09583	0.8
163.11188	1.0
167.04750	0.7
169.10110	2.2
174.14645	0.3
177.12733	5.8
187.11188	3.5
195.13901	0.5
205.12228	12.7
223.13280	100.0
224.13667	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03947	3.3
55.01863	4.6
55.05508	9.3
57.03431	2.0
57.07058	0.7
65.03926	4.0
67.05502	43.7
67.70296	0.6
69.03423	1.7
69.07065	6.5
69.25252	1.9
69.25662	1.7
70.16082	0.5
71.04983	3.1
77.03922	0.7
79.05492	19.7
81.03416	62.8
81.07054	31.4
81.57656	0.6
83.04983	8.8
83.08624	4.3
85.02911	5.5
85.06540	2.5
91.05479	20.9
91.06053	1.0
93.07043	17.9
94.04184	1.9
95.04966	65.8
95.08604	19.3
97.06516	4.1
98.97569	1.4
98.98490	1.3
99.04471	1.0
99.08113	1.3
103.05513	1.2
105.04519	1.2
105.07018	10.1
107.04948	7.9
107.08584	8.4
109.02902	0.9
109.06532	4.3
109.10144	5.8
111.04483	3.1
111.08055	3.5
113.06017	1.4
115.05460	0.9
116.98616	1.4
117.07022	14.7
119.08570	4.7
121.06493	8.5
121.10128	5.3
123.04424	1.2
123.08055	2.2
125.05982	1.5
127.07568	0.8
129.07011	2.0
131.08571	13.8
133.10124	5.9
134.99651	0.7
135.08078	1.6
135.11710	4.8
137.05946	1.2
137.09619	2.4
139.07556	0.9
141.06969	5.0
143.08571	3.5
144.09352	0.6
145.06487	2.4
145.10121	11.7
149.02339	2.9
149.09621	3.0
149.13254	2.8
151.07355	0.6
154.07715	1.1
157.10141	2.6
158.01257	0.6
159.08011	1.0
159.11694	18.7
161.09596	2.4
163.11165	2.7
169.10106	8.1
177.12746	9.8
187.11179	13.0
187.14915	0.7
205.12228	13.8
223.13281	100.0
224.13570	1.0
225.04303	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	12.7
55.73862	7.9
57.03436	31.8
58.02966	29.0
63.00879	9.3
70.93223	10.8
71.01369	11.7
73.02918	30.5
77.58714	9.0
85.02903	18.3
87.04482	28.1
89.02382	16.3
101.02386	58.9
107.95222	7.9
115.03921	79.3
129.01839	100.0
133.04977	13.6
134.75635	8.9
143.01970	8.0
143.03386	50.3
146.04449	16.4
157.01332	56.4
161.04480	64.2
178.08626	19.8
180.37856	9.1
188.05554	9.8
189.03928	92.1
197.86784	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	224.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.01858	8.7
55.05504	2.7
57.03436	37.2
59.05005	3.4
60.26130	2.3
61.02928	16.5
62.06081	2.8
69.03433	27.2
71.01356	4.6
71.04996	3.8
71.42813	2.8
72.08146	3.0
73.02540	4.2
73.02915	55.1
74.06104	2.8
76.99695	3.0
81.03420	8.5
85.02908	52.9
85.34847	2.7
86.09690	3.8
87.04491	13.7
88.02719	2.7
93.01888	8.0
94.02669	5.6
97.02891	34.7
98.92177	3.0
98.97556	4.8
99.04434	7.4
100.02663	7.4
101.00870	23.8
101.02370	13.5
102.02414	10.7
106.02618	3.2
106.06541	3.1
108.02408	8.2
108.08088	4.6
109.02921	5.5
110.08039	2.6
111.02909	8.0
113.00867	10.7
114.02431	6.4
115.03184	4.3
115.03935	16.9
117.02903	2.8
119.01926	26.3
120.08112	41.0
123.02910	7.4
124.07612	4.8
127.03943	14.4
129.01846	11.4
129.02908	9.8
130.06525	6.9
131.01884	20.0
132.03448	7.8
133.04968	4.0
135.02895	9.7
137.02986	3.6
138.03429	22.7
138.09143	11.4
142.03516	7.2
142.24493	2.5
143.01906	42.7
143.03398	11.2
144.03413	11.0
145.03448	10.8
145.05019	6.4
147.01434	2.7
147.03946	12.5
148.07581	14.0
150.03400	3.7
151.43243	3.1
153.03960	17.9
155.01886	30.9
156.03406	3.5
157.01312	12.4
157.03482	6.4
161.02962	26.1
161.04468	11.6
162.04443	3.9
164.10715	76.5
165.03964	5.7
167.01907	7.2
173.02969	36.6
174.03195	3.4
174.04492	15.3
174.09117	4.5
178.08583	13.8
179.10767	2.3
180.10249	4.0
183.05035	27.5
183.55058	3.5
185.02956	25.9
186.03151	3.5
188.09175	2.5
189.03954	23.8
192.05530	100.0
192.10173	42.6
192.55655	10.9
199.06041	3.5
201.00760	4.5
201.06053	15.3
203.02225	4.3
203.03920	17.6
203.56261	4.7
206.08160	3.6
206.11868	3.9
215.04018	5.8
219.01782	3.5
221.05083	11.3
224.01750	11.0
224.09521	16.7
224.12834	98.4
227.04056	4.8
243.58960	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	224.1282
Annotation	Anhalonidine
Peak:m/z	Relative Intensity
59.15226	0.3
70.19454	0.8
87.04471	0.7
98.23353	0.4
101.97030	0.3
118.06536	0.5
120.08103	44.2
130.06528	1.1
132.08118	0.2
136.07623	0.3
138.09134	0.8
146.09634	0.6
148.07574	2.0
153.99933	0.2
164.10709	100.0
165.11057	0.9
174.09236	0.5
178.08624	0.4
192.10201	6.6
219.64951	0.3
224.12810	34.7
225.13171	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1283
Annotation	Anhalonidine
Peak:m/z	Relative Intensity
71.32618	0.3
87.04469	0.9
103.05453	0.3
106.06553	0.8
110.06018	0.5
117.56255	0.3
118.06561	0.9
120.08105	40.3
120.65998	0.3
121.08392	0.3
130.06529	1.7
132.08078	0.5
136.07608	0.3
138.09166	1.2
146.09671	0.7
148.07570	3.8
162.09163	0.4
164.10710	100.0
165.11072	0.9
168.69237	0.3
170.13773	0.3
174.09161	0.7
176.77748	0.3
178.08589	0.5
189.97505	0.3
192.10194	13.3
224.12811	39.2
225.13063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1282
Annotation	Anhalonidine
Peak:m/z	Relative Intensity
68.89104	0.2
70.84449	0.3
73.21496	0.2
75.26697	0.2
105.66124	0.2
110.06036	0.3
118.06562	0.5
118.84563	0.2
118.92709	0.2
119.07325	0.3
120.08103	40.2
121.08471	0.4
130.06509	0.3
138.09174	0.2
146.09639	0.4
148.07544	0.4
164.10709	100.0
165.11115	0.6
191.00902	0.2
192.10196	2.7
224.12813	36.7
225.13129	0.5
232.19122	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.0
53.10790	1.6
55.05521	1.8
56.96561	4.6
57.03440	2.5
61.02931	3.3
67.05524	2.0
69.03454	6.8
69.07059	2.4
70.06599	1.6
70.98093	1.3
73.02926	3.6
79.05468	2.1
81.03429	3.6
81.07052	2.7
82.99844	2.0
83.04975	3.5
84.04499	1.3
84.96033	6.7
85.02904	20.8
87.04465	2.4
91.05470	2.3
95.04961	3.6
97.02895	7.8
98.97571	9.3
101.00887	31.8
101.01549	2.3
101.02351	1.4
106.06585	1.6
107.04951	1.7
115.03962	2.7
116.98622	5.7
119.01920	100.0
120.02038	2.0
120.08109	4.0
121.08466	5.6
123.04485	2.2
124.02477	3.6
127.03908	5.3
131.06862	2.5
133.01654	1.7
134.99713	4.2
137.02948	28.2
137.06024	1.8
138.09175	1.9
139.03932	6.7
140.07054	1.8
140.98735	1.6
142.03510	40.9
143.03510	2.0
145.04959	2.7
148.03894	2.4
148.07649	1.5
149.07922	4.8
151.03947	1.8
157.01239	1.7
157.03456	1.9
158.99881	4.6
160.04561	10.2
161.02966	25.9
161.04282	2.4
163.11090	1.6
164.10742	2.5
165.05453	4.2
165.11107	7.8
177.00951	56.2
178.01085	2.6
179.04008	33.7
179.05489	2.8
182.99815	4.3
184.04614	4.6
193.10564	14.0
196.96585	1.4
201.00819	7.2
202.03958	2.5
202.05666	2.9
203.03973	1.7
205.05502	2.2
217.04124	6.1
219.01979	53.2
220.02182	6.7
225.05594	1.5
225.13145	22.0
226.10768	5.0
243.01994	14.0
243.06377	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	3.0
57.41601	1.4
60.22707	1.4
69.71474	6.0
80.71958	1.7
82.99856	4.3
98.23380	2.0
98.97596	8.2
101.00880	51.8
102.00945	2.8
110.49604	1.5
116.98653	2.9
119.01918	100.0
120.02023	2.7
124.02456	7.3
126.91214	1.4
134.99811	1.6
137.02974	17.9
140.98819	2.1
142.03497	56.5
143.01883	2.0
148.89229	1.6
158.97247	4.0
158.99921	6.4
159.99965	1.8
160.04568	11.2
161.02971	24.5
176.98373	2.1
177.00941	36.1
178.00983	3.9
179.04013	34.7
184.04567	5.1
187.99341	2.1
190.49554	2.3
190.99696	1.7
199.50044	8.5
201.00905	3.0
202.05659	3.3
211.00858	2.5
217.04123	3.6
219.02007	30.1
220.02066	8.2
225.00911	2.0
238.95462	1.8
243.02010	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	225.0758
Annotation	Calaminthone
Peak:m/z	Relative Intensity
51.02382	0.4
53.03950	1.4
63.06845	0.4
65.03941	1.0
67.05505	4.4
70.58398	0.7
70.58733	0.4
71.01369	1.1
71.49111	0.4
75.04482	0.8
77.03922	3.8
79.05503	3.2
81.07055	1.5
91.05477	4.5
92.21976	0.4
93.07040	0.8
93.97940	0.4
94.04185	1.2
95.01307	1.1
95.04968	61.5
103.03984	0.7
105.03400	1.8
105.04511	2.5
109.06522	2.4
111.04430	0.4
119.04934	4.8
121.02922	0.4
121.06516	0.7
122.03642	1.0
123.00808	1.9
123.04430	19.7
133.02869	2.8
135.04404	1.2
137.05983	4.4
137.80220	0.4
147.04398	4.3
151.03903	75.2
155.03369	0.5
165.05475	100.0
166.05771	1.2
175.03920	3.4
183.06442	2.1
193.04967	3.6
205.90343	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02345	0.3
53.03942	0.9
55.01870	0.5
55.05505	0.4
65.03936	0.8
67.05510	3.9
69.03413	1.0
71.01341	1.5
71.05006	0.5
77.03931	2.1
79.05495	7.8
81.07047	1.8
83.04984	0.4
83.26407	0.4
85.02904	2.7
91.05482	7.8
93.03416	0.3
93.07039	0.6
94.04202	1.7
95.04971	26.6
95.08588	0.7
97.02908	0.8
99.04460	0.8
101.65971	0.3
103.03953	3.2
103.32865	0.3
105.03411	3.1
105.04520	1.8
105.07014	1.1
107.04951	2.3
107.08607	0.6
108.05739	0.5
109.06525	4.9
111.04425	0.5
113.06038	0.7
119.04940	3.6
121.02839	0.4
121.06510	1.1
121.10123	0.4
122.03627	0.5
123.03523	0.7
123.04431	13.8
123.08046	1.3
127.07536	0.4
133.02878	1.6
135.04424	4.0
137.05969	3.0
137.09599	0.4
139.03891	1.7
147.04388	2.7
149.02357	2.6
150.03128	1.4
151.03912	27.8
151.07520	0.8
165.05481	100.0
166.05768	0.7
175.03928	2.0
179.07030	1.5
181.04951	0.8
183.06561	1.4
193.05005	1.9
207.06558	1.3
207.13867	0.4
217.72166	0.4
225.07545	1.3
225.14885	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0758
Annotation	Sinapate
Peak:m/z	Relative Intensity
53.02345	0.3
53.03942	0.9
55.01870	0.5
55.05505	0.4
65.03936	0.8
67.05510	3.9
69.03413	1.0
71.01341	1.5
71.05006	0.5
77.03931	2.1
79.05495	7.8
81.07047	1.8
83.04984	0.4
83.26407	0.4
85.02904	2.7
91.05482	7.8
93.03416	0.3
93.07039	0.6
94.04202	1.7
95.04971	26.6
95.08588	0.7
97.02908	0.8
99.04460	0.8
101.65971	0.3
103.03953	3.2
103.32865	0.3
105.03411	3.1
105.04520	1.8
105.07014	1.1
107.04951	2.3
107.08607	0.6
108.05739	0.5
109.06525	4.9
111.04425	0.5
113.06038	0.7
119.04940	3.6
121.02839	0.4
121.06510	1.1
121.10123	0.4
122.03627	0.5
123.03523	0.7
123.04431	13.8
123.08046	1.3
127.07536	0.4
133.02878	1.6
135.04424	4.0
137.05969	3.0
137.09599	0.4
139.03891	1.7
147.04388	2.7
149.02357	2.6
150.03128	1.4
151.03912	27.8
151.07520	0.8
165.05481	100.0
166.05768	0.7
175.03928	2.0
179.07030	1.5
181.04951	0.8
183.06561	1.4
193.05005	1.9
207.06558	1.3
207.13867	0.4
217.72166	0.4
225.07545	1.3
225.14885	0.4
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	Sundiversifolide
Peak:m/z	Relative Intensity
53.17243	1.9
55.05515	5.2
56.26661	1.9
57.07063	4.8
67.05502	26.3
67.05823	3.0
69.07059	3.5
79.05493	7.3
80.28079	2.2
81.07050	16.9
83.04975	2.9
85.02907	55.7
85.06552	11.5
91.05466	4.2
91.61790	1.7
93.07045	12.1
95.04964	7.2
95.08608	100.0
98.03410	1.9
102.63871	2.0
105.07014	11.1
107.08599	10.2
109.06524	3.8
109.10147	10.5
113.05997	8.2
115.55531	2.2
119.08573	16.4
121.06503	3.3
121.10123	10.6
123.04419	3.5
123.08069	33.5
123.11703	43.7
125.05997	5.7
133.10146	2.7
135.11703	11.4
135.97267	2.0
137.09624	3.4
139.03932	2.4
141.09132	2.6
147.08018	2.5
147.11668	5.6
149.09613	18.4
151.03899	6.8
151.07568	3.7
151.14746	2.7
161.13260	7.1
163.11221	3.3
165.05496	20.7
165.12776	6.1
169.08618	3.5
179.14331	2.6
189.12828	9.2
203.77486	1.9
207.13765	19.3
225.14877	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	225.1485
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
52.03989	0.8
53.03958	1.0
55.01868	1.6
55.05511	4.8
57.03440	1.6
57.07063	2.5
59.05000	14.1
65.03925	1.1
67.05506	9.7
69.03435	9.7
69.07065	9.2
69.55962	1.9
69.56348	1.8
77.03925	1.1
79.05482	11.4
81.07056	18.2
83.04971	7.3
83.08622	2.9
87.04462	10.6
91.05481	13.3
93.07038	38.2
95.04962	10.0
95.08605	13.3
97.06509	5.0
97.10157	1.3
101.06013	1.4
105.03374	1.1
105.07026	30.0
107.04989	1.5
107.08591	34.2
109.06519	8.7
109.10131	5.7
111.08091	4.1
117.07026	3.3
119.04964	2.5
119.08562	18.8
121.06489	1.5
121.10149	9.2
123.04446	1.5
123.08072	10.0
123.11691	3.1
128.06248	1.1
131.08591	2.1
133.06496	3.9
133.10107	8.6
135.08025	1.3
135.11761	2.3
136.55800	1.0
137.05984	4.0
137.09601	3.2
139.03867	5.3
139.11168	3.8
139.12141	1.0
141.09131	2.9
143.08536	2.8
145.10115	3.2
147.04320	1.1
147.08069	4.6
147.11685	12.2
148.47820	1.0
149.09599	5.0
151.03917	12.5
151.07562	2.9
151.11172	100.0
156.09349	4.0
159.11679	4.0
161.09624	4.5
161.13257	16.9
161.96873	1.0
163.11188	1.9
165.05469	23.5
165.09071	1.3
171.11720	4.4
174.10365	2.4
177.12752	4.0
179.14265	2.0
181.12256	1.3
183.06529	1.3
189.12747	15.4
206.26030	1.0
207.13794	75.3
225.14835	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	225.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.05260	0.5
55.05512	8.4
57.03436	5.6
57.07066	1.1
58.56418	0.4
65.03933	0.4
67.05503	18.0
69.03423	1.5
69.07064	5.8
69.60779	1.7
71.04987	1.2
71.08627	0.5
71.33370	0.4
79.05489	5.0
81.06576	0.9
81.07053	18.3
82.99912	0.5
83.04971	0.8
83.08624	3.8
85.02892	0.9
85.06528	1.2
91.05463	2.4
93.07041	6.0
95.04961	2.7
95.08604	21.7
97.06519	2.8
97.10165	2.3
98.22697	0.5
99.08053	0.8
101.95037	2.3
105.07038	2.3
107.08598	5.1
109.06469	0.6
109.10149	9.3
111.08064	1.7
119.08566	1.6
119.96078	0.8
121.10133	1.4
123.08043	0.7
123.11684	1.8
125.09646	0.5
133.10104	2.5
135.11678	1.5
137.13171	0.5
145.05469	0.4
145.10060	0.5
147.11667	1.8
149.13272	0.5
160.98700	0.9
161.13249	0.6
178.99756	0.6
182.57364	0.5
185.24803	0.4
189.16467	0.9
197.00711	0.4
207.17444	1.5
210.12686	0.6
225.18475	100.0
226.18806	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.185
Annotation	beta-Isocyclolavandulyl isobutyrate
Peak:m/z	Relative Intensity
53.03960	1.1
55.05510	10.0
57.03437	5.1
57.07072	1.1
65.03933	0.9
67.05502	19.4
69.03420	1.7
69.07069	6.2
69.53017	2.1
70.32287	0.5
71.04984	1.1
72.39380	0.5
79.05491	5.8
81.07056	22.2
83.08620	4.5
85.02898	1.8
85.06528	2.1
89.07755	0.5
90.25396	0.5
90.95548	0.4
91.05492	2.7
93.07048	6.1
95.04968	3.4
95.08602	23.3
95.09217	1.2
97.06525	3.5
97.10159	2.4
99.08108	1.0
101.95010	2.1
105.07050	2.5
107.08586	5.3
109.06493	1.2
109.10155	8.5
111.08047	1.3
119.08587	2.5
119.96011	1.5
121.10112	2.7
122.63080	0.5
123.08092	0.8
123.11694	2.5
133.10129	2.9
135.11714	1.0
137.97107	0.6
147.11673	2.0
149.13290	0.5
160.98708	1.4
165.05429	0.5
171.08145	0.6
178.99765	1.0
189.16347	1.1
207.17508	1.2
225.18472	100.0
226.18712	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0914
Annotation	Taraxafolin
Peak:m/z	Relative Intensity
53.03939	1.4
54.22079	0.8
55.01870	1.6
67.05490	2.5
69.07076	1.0
69.41545	3.3
69.41910	1.4
71.01340	1.8
77.03930	3.6
78.59690	0.7
79.05488	14.2
81.03409	2.3
81.07049	1.6
91.05473	4.9
93.07037	6.2
95.04970	24.9
97.02902	2.7
97.06513	1.4
98.23411	1.7
103.03924	1.2
103.05466	3.9
105.03400	2.9
105.04518	2.7
107.04951	100.0
107.08617	1.1
109.02880	16.3
109.06516	2.6
111.04459	1.2
121.06511	8.1
121.10160	1.5
123.04426	6.1
125.02347	5.0
125.06032	0.8
125.09583	0.8
131.04903	3.6
133.02863	5.0
135.04402	1.9
137.06000	2.3
139.03896	4.4
141.05412	0.8
149.05962	7.7
149.09593	1.1
151.03903	18.0
153.05478	1.3
159.04448	1.1
165.05476	48.7
167.07040	7.2
177.05458	11.3
195.06531	3.8
209.08083	1.5
209.15298	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0914
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03939	1.2
55.01880	1.4
56.02221	0.6
67.05493	0.9
69.03431	1.1
69.65475	2.6
71.01350	1.7
77.03919	2.6
79.05489	10.8
81.03433	1.6
81.07045	2.3
91.05489	6.1
93.07040	4.4
95.04971	18.5
97.02907	1.9
103.03922	0.7
103.05478	3.9
105.03387	2.5
105.04523	2.1
107.04953	100.0
109.02882	9.8
109.06528	2.2
121.06499	6.7
123.04427	5.1
125.02369	4.3
125.05988	1.5
131.04961	2.0
133.02858	4.4
134.17377	0.7
135.04404	1.8
137.05991	2.2
139.03918	3.9
139.07582	0.8
141.76555	0.6
149.05962	8.6
151.03903	14.5
153.05487	1.4
159.04433	1.0
165.05473	49.9
167.06998	4.4
167.48248	0.8
170.99652	0.7
177.05492	10.2
184.64047	0.7
195.06552	3.1
209.08165	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	227.1279
Annotation	Stagonolide
Peak:m/z	Relative Intensity
53.03945	1.8
55.01875	5.6
55.05510	12.3
57.03434	2.8
57.07066	1.5
64.92938	0.5
65.03938	0.7
67.05503	17.9
67.05865	0.9
69.03420	1.5
69.07066	8.9
70.69118	0.8
70.69461	1.1
71.04994	3.1
73.02924	2.5
77.03932	0.9
79.05492	27.7
81.03410	3.5
81.07057	23.7
83.04977	4.4
83.08623	11.0
91.05476	7.0
93.03425	0.6
93.07046	39.6
95.04958	7.2
95.08606	45.7
97.02893	3.7
97.06526	3.1
97.10141	0.6
97.35177	0.6
99.04460	5.8
103.05479	1.0
105.07030	6.4
106.48569	0.5
107.04250	0.9
107.04956	12.8
107.08598	26.7
109.06508	2.5
109.10139	3.2
111.04435	1.8
111.08109	1.5
113.06013	0.7
117.07024	9.1
119.08585	8.5
120.08892	0.6
121.06522	7.0
121.10146	13.4
125.05975	2.9
129.06982	1.3
130.07779	2.0
131.04959	0.8
133.10135	2.0
135.08064	2.6
135.11691	55.4
139.07516	2.6
143.08594	1.6
145.06422	0.9
145.10126	30.0
146.10500	0.6
147.08192	0.5
153.12672	0.6
163.11182	73.3
164.11537	0.7
165.05528	1.5
167.07013	2.7
173.09618	1.0
177.05458	1.1
181.12219	15.6
209.11758	2.2
227.12770	100.0
228.13147	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
53.16727	0.5
55.01868	0.6
55.05508	3.7
56.02655	1.0
57.03432	0.8
57.07068	0.6
65.03930	0.8
67.05503	19.8
69.03414	0.5
69.07054	2.3
70.37994	0.6
70.38329	0.9
71.04990	100.0
71.54786	0.5
77.97708	0.4
79.05489	8.6
79.43836	0.4
81.07053	29.8
83.04982	1.1
83.08619	2.0
85.06528	2.9
91.05469	4.6
93.07040	14.0
95.04980	2.1
95.08602	13.6
96.78621	0.4
97.06541	3.2
97.10146	0.7
98.60921	0.5
99.04432	0.6
99.08106	1.2
100.11256	1.4
102.66255	0.4
105.07030	2.5
107.04959	1.7
107.08588	7.2
109.06538	1.4
109.10149	1.3
111.08101	2.1
113.06027	0.9
117.07013	4.0
119.08590	1.3
121.06497	0.7
121.10140	1.9
123.08043	0.5
125.09676	1.0
131.08572	2.7
133.10141	4.0
135.08087	0.9
135.11685	10.2
135.12648	0.7
143.08589	0.8
149.09573	0.5
149.13246	6.6
159.11679	7.5
165.05492	1.3
177.12779	3.6
185.13373	0.5
195.13858	1.5
209.15335	2.4
227.10501	0.6
227.12779	1.7
227.18063	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03937	1.9
53.47876	1.5
55.01875	3.1
55.05510	15.8
57.03438	12.6
57.07080	2.2
58.60238	1.5
67.05507	77.0
67.37067	1.3
69.07066	18.5
70.91994	1.6
71.04993	40.9
75.29728	1.5
79.05492	42.4
81.03452	2.6
81.07055	100.0
83.04983	8.7
83.08617	16.5
85.06541	6.6
91.05486	20.8
93.06447	2.9
93.07043	61.6
95.04964	5.7
95.08605	30.2
97.06535	14.5
97.10144	2.6
99.08109	6.0
100.11259	5.6
105.07034	6.8
107.04942	3.7
107.08597	29.2
109.06520	3.1
109.10158	3.2
111.08103	9.4
113.06012	2.3
117.07000	11.8
119.08558	2.5
121.06453	3.6
121.10159	14.9
121.51273	1.4
123.11691	2.4
125.09654	2.1
131.08566	13.4
133.10120	13.6
133.15712	1.5
135.08076	2.0
135.11699	23.2
137.90962	1.6
147.11731	1.8
149.09732	1.7
149.13255	57.7
157.10152	2.0
159.11697	27.7
177.12778	15.6
195.13768	19.8
213.14876	3.0
227.14465	1.7
227.17975	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	227.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01861	4.1
55.05506	21.2
57.03424	13.3
57.07069	3.7
65.03941	2.7
67.05503	88.3
68.72148	1.8
69.07066	28.3
69.79607	2.5
69.79932	5.3
71.05005	12.2
73.02921	2.9
75.75456	2.0
75.89228	1.9
79.05496	42.4
81.03423	2.7
81.07054	100.0
82.29323	1.7
83.04977	8.7
83.08626	21.7
83.68384	1.7
85.06544	10.4
91.05477	23.1
93.07043	74.0
95.04977	7.5
95.08607	30.1
97.06523	17.9
97.10186	2.2
98.22745	3.5
99.08092	4.4
100.11264	9.6
105.07021	7.7
107.04942	3.8
107.08585	36.0
109.06503	3.5
109.10156	5.5
111.08077	11.8
115.05497	2.2
117.07025	11.9
121.06494	2.6
121.10138	16.0
131.08559	13.1
133.10114	16.0
135.08049	3.4
135.11676	19.3
139.11177	3.2
147.11621	2.7
149.13261	59.3
159.11674	33.4
167.07001	2.7
176.76968	2.1
177.12747	13.4
185.13255	2.1
195.13808	19.4
227.10220	2.0
227.14438	2.1
227.17914	7.9
227.22040	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	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.01857	2.9
55.05510	16.8
56.55363	1.7
57.03436	14.0
57.07068	3.1
65.03938	2.1
65.33484	2.2
67.05505	85.3
69.07065	22.5
71.01349	2.1
71.04996	21.3
71.44878	1.6
78.71012	1.8
79.05489	37.0
81.03403	3.3
81.07058	100.0
83.04978	7.9
83.08620	17.6
85.06544	6.3
89.06007	3.0
91.01657	1.8
91.05483	20.8
93.07047	75.3
95.04966	11.1
95.08611	27.0
97.06541	14.5
99.08074	6.5
100.11266	9.4
105.04515	3.6
105.07037	6.9
107.04936	2.9
107.08595	31.5
107.90172	2.2
109.06501	4.3
109.10136	3.6
111.08044	8.9
114.37856	1.8
117.07028	10.5
119.08570	2.9
121.06529	10.5
121.10147	18.0
123.11684	3.2
124.15926	1.9
131.08554	12.7
133.10153	11.6
135.11679	21.8
149.13255	54.6
149.14455	3.2
159.11716	29.4
163.11160	4.6
165.09116	2.6
177.12737	11.3
195.13759	13.9
227.12607	4.1
227.17996	5.7
228.23216	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	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.05519	2.4
56.02647	1.6
57.03450	0.4
61.25384	0.3
65.03947	0.8
67.05505	19.6
69.03465	0.4
69.07069	2.5
69.95142	0.9
71.04994	100.0
79.05495	8.6
81.07058	28.5
83.04990	0.8
83.08620	1.8
85.06548	2.2
91.05479	4.3
93.07047	14.9
95.04977	1.3
95.08607	13.2
97.06526	3.5
98.22672	0.4
99.08095	0.7
100.11267	0.9
105.04550	0.5
105.07033	1.9
107.04971	1.0
107.08590	5.8
109.06535	1.3
109.10171	1.0
111.08101	1.8
113.06033	1.0
117.07011	3.1
119.08579	0.6
121.06512	0.7
121.10187	1.7
125.09625	0.7
127.07572	0.8
131.08563	3.0
133.10124	4.0
135.08070	1.0
135.11688	10.2
149.09575	0.5
149.13264	6.4
151.03627	0.4
151.11192	0.6
155.57367	0.4
159.11700	8.4
165.05576	0.6
177.12733	4.3
194.42462	0.4
195.13799	2.8
209.15347	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.0
55.05511	6.7
56.02657	1.0
56.23965	1.2
57.03441	2.6
57.07091	1.1
67.05509	24.9
69.07072	5.2
71.04994	100.0
71.45604	1.3
79.05482	13.9
80.96586	1.0
81.07059	36.2
83.05005	2.5
83.08621	4.4
85.06547	5.0
89.35297	1.1
91.05473	8.8
93.07045	22.8
95.04983	2.7
95.08600	22.1
97.06528	3.6
100.11239	5.6
105.07060	3.4
107.04956	3.2
107.08601	9.4
109.10153	2.7
111.08051	2.4
117.07051	5.4
119.08585	4.5
121.06492	2.1
121.10130	5.3
131.08572	4.1
131.91832	1.1
133.10136	7.0
135.11697	20.8
145.10136	3.6
149.13278	10.8
159.11671	9.4
163.11162	9.1
167.14346	1.1
177.12779	3.8
181.12152	1.7
183.32787	1.3
195.13815	4.8
209.15302	1.8
227.12714	9.6
227.17825	2.3
239.31790	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
50.21777	3.1
55.05515	16.4
57.03441	14.6
57.07093	4.5
58.81521	2.7
67.05510	87.0
69.07080	22.3
69.46312	11.5
71.01357	4.9
71.05004	43.5
79.05497	50.8
80.88497	3.0
81.07061	100.0
83.04996	8.6
83.08646	15.7
85.06539	13.2
86.86871	3.0
91.05486	25.8
93.07045	71.1
95.04978	8.9
95.08607	31.7
97.06557	18.5
97.10195	4.4
99.08070	4.9
100.11263	8.6
103.21567	3.6
105.07036	9.4
107.08597	36.1
109.10149	4.6
111.08108	8.1
117.07038	14.3
119.08607	6.3
121.10123	21.1
131.08578	11.8
133.10117	12.5
135.10760	4.5
135.11697	46.5
145.10168	4.3
147.11681	3.3
149.13261	55.0
154.78152	2.8
159.11700	19.5
163.11189	3.9
177.12755	13.0
181.12212	7.8
195.13754	18.4
227.10645	4.2
227.17706	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	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
53.47876	1.5
55.01875	3.1
55.05510	15.8
57.03438	12.6
57.07080	2.2
58.60238	1.5
67.05507	77.0
67.37067	1.3
69.07066	18.5
70.91994	1.6
71.04993	40.9
75.29728	1.5
79.05492	42.4
81.03452	2.6
81.07055	100.0
83.04983	8.7
83.08617	16.5
85.06541	6.6
91.05486	20.8
93.06447	2.9
93.07043	61.6
95.04964	5.7
95.08605	30.2
97.06535	14.5
97.10144	2.6
99.08109	6.0
100.11259	5.6
105.07034	6.8
107.04942	3.7
107.08597	29.2
109.06520	3.1
109.10158	3.2
111.08103	9.4
113.06012	2.3
117.07000	11.8
119.08558	2.5
121.06453	3.6
121.10159	14.9
121.51273	1.4
123.11691	2.4
125.09654	2.1
131.08566	13.4
133.10120	13.6
133.15712	1.5
135.08076	2.0
135.11699	23.2
137.90962	1.6
147.11731	1.8
149.09732	1.7
149.13255	57.7
157.10152	2.0
159.11697	27.7
177.12778	15.6
195.13768	19.8
213.14876	3.0
227.14465	1.7
227.17975	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	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.05512	7.0
57.03434	3.2
57.07074	4.4
59.05003	4.7
67.05499	7.3
69.03424	3.1
69.07072	16.3
69.65330	6.5
71.04996	22.2
79.05481	7.9
81.03411	2.4
81.07056	14.8
81.21524	1.9
82.71054	2.0
83.04971	6.2
83.08614	5.9
85.06525	6.3
86.09687	3.2
91.05489	10.5
93.07056	25.4
95.04970	100.0
95.08607	21.5
97.06534	28.0
99.04452	21.4
99.08086	29.4
100.11262	3.9
103.05492	2.6
105.07003	12.3
107.04934	5.4
107.08593	23.1
109.02865	5.7
109.06525	18.7
109.10171	13.4
111.08080	10.9
113.09622	2.7
115.07572	25.2
119.08556	8.2
121.06506	5.6
121.10136	22.1
123.04430	5.0
123.08052	2.8
123.11700	8.3
125.09631	7.0
127.07548	18.6
131.04913	2.8
131.08598	6.0
133.10127	37.5
135.08043	5.4
135.11688	5.8
137.09636	4.6
139.11182	13.0
143.10670	2.8
147.11729	10.1
149.05984	7.0
149.09616	2.1
149.13222	13.4
151.03957	2.6
151.11174	7.3
153.05569	2.2
153.09131	32.0
153.12817	1.9
158.10887	2.5
163.14792	7.5
167.07051	30.6
171.10162	10.3
173.13295	17.2
177.05484	9.7
179.14308	2.2
191.14307	14.1
195.06622	5.1
209.08072	6.1
209.15321	18.9
215.89441	1.8
217.82941	2.1
219.76848	1.9
220.01007	2.0
227.16393	53.6
229.60349	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	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.77666	0.8
55.05501	4.2
57.03436	3.9
57.07067	1.5
59.05000	1.9
67.05499	4.2
69.03420	3.5
69.07066	4.2
69.58532	3.0
71.04993	13.4
73.06567	1.8
75.04463	1.3
79.05492	4.7
81.07055	8.7
83.04980	1.8
83.08610	2.3
85.06525	5.9
91.05492	4.1
93.07043	10.7
95.04967	100.0
95.08588	7.0
97.06526	12.7
97.10159	2.6
99.04455	12.5
99.08096	17.4
100.11227	1.7
103.05460	1.2
105.04515	0.8
105.06998	5.7
107.04945	2.9
107.08596	12.1
109.02889	11.8
109.05846	1.2
109.06519	12.8
109.10165	5.7
111.04405	1.0
111.08080	2.8
113.09651	1.2
115.07547	2.3
119.08566	5.1
121.06508	3.6
121.10143	11.0
121.72259	0.7
123.04379	1.8
123.08040	1.2
123.11684	3.6
125.05983	0.9
125.09598	6.2
127.07544	5.6
131.08568	2.7
133.09178	1.4
133.10123	20.0
135.08035	2.2
135.11678	2.6
137.05989	1.5
137.09587	1.0
139.03862	1.7
139.11172	5.1
143.10669	5.4
143.21326	0.9
145.10101	1.4
147.11731	5.1
149.05956	3.0
149.09579	1.2
149.13222	3.6
151.03867	1.5
151.11188	2.4
153.09111	26.1
158.10901	0.8
163.03616	0.7
163.14792	3.0
165.05481	1.9
165.12715	1.9
167.07054	14.5
167.14346	1.1
171.10165	14.4
173.13275	8.0
177.05453	9.0
179.06998	1.8
181.04935	1.5
181.15912	0.9
191.14279	8.1
195.06516	1.7
209.07970	1.9
209.15335	18.0
227.16396	39.8
228.16872	1.0
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	Tanarifuranonol
Peak:m/z	Relative Intensity
52.16263	1.5
53.03944	2.1
55.05503	5.4
55.75309	1.7
56.56734	1.5
57.03428	5.5
57.07066	4.7
59.04987	6.2
67.05499	6.3
69.03433	5.1
69.07069	10.9
69.66096	5.2
71.04993	22.1
73.06554	2.0
79.05495	7.2
81.07063	18.1
83.04968	2.6
83.08629	3.5
85.06533	8.7
91.05486	6.1
93.07042	25.7
95.04969	100.0
95.08596	15.2
97.06531	24.6
97.10157	3.1
99.04465	15.5
99.08099	34.7
105.07014	11.4
107.04948	8.1
107.08596	23.6
109.06521	29.1
109.10148	11.4
111.08062	7.3
113.09628	2.5
115.07578	12.9
118.39378	1.6
119.08588	7.8
121.10130	26.4
123.08071	4.9
123.11707	5.8
125.09641	14.4
127.07549	16.3
131.08543	8.0
133.10123	43.3
135.08054	6.1
135.11696	7.2
136.09886	2.0
137.09618	5.8
139.11157	16.2
140.16713	2.0
142.40428	1.7
143.10681	2.9
145.10165	3.3
145.94145	1.6
147.11699	10.5
149.09639	4.4
149.13219	9.6
150.12556	1.7
151.11174	6.1
153.09103	33.7
163.14816	7.1
165.05467	4.6
165.12808	3.9
167.06989	3.9
171.10152	12.4
173.13254	22.1
191.14325	16.7
209.15337	26.7
227.16408	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16263	1.5
53.03944	2.1
55.05503	5.4
55.75309	1.7
56.56734	1.5
57.03428	5.5
57.07066	4.7
59.04987	6.2
67.05499	6.3
69.03433	5.1
69.07069	10.9
69.66096	5.2
71.04993	22.1
73.06554	2.0
79.05495	7.2
81.07063	18.1
83.04968	2.6
83.08629	3.5
85.06533	8.7
91.05486	6.1
93.07042	25.7
95.04969	100.0
95.08596	15.2
97.06531	24.6
97.10157	3.1
99.04465	15.5
99.08099	34.7
105.07014	11.4
107.04948	8.1
107.08596	23.6
109.06521	29.1
109.10148	11.4
111.08062	7.3
113.09628	2.5
115.07578	12.9
118.39378	1.6
119.08588	7.8
121.10130	26.4
123.08071	4.9
123.11707	5.8
125.09641	14.4
127.07549	16.3
131.08543	8.0
133.10123	43.3
135.08054	6.1
135.11696	7.2
136.09886	2.0
137.09618	5.8
139.11157	16.2
140.16713	2.0
142.40428	1.7
143.10681	2.9
145.10165	3.3
145.94145	1.6
147.11699	10.5
149.09639	4.4
149.13219	9.6
150.12556	1.7
151.11174	6.1
153.09103	33.7
163.14816	7.1
165.05467	4.6
165.12808	3.9
167.06989	3.9
171.10152	12.4
173.13254	22.1
191.14325	16.7
209.15337	26.7
227.16408	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
55.01875	2.6
55.05506	3.7
57.03428	5.0
57.07064	1.2
58.99577	1.9
59.05000	1.8
65.03938	1.4
67.05500	4.5
67.16217	0.8
68.30098	0.7
69.03444	4.0
69.07066	4.6
69.20421	5.2
71.01342	1.0
71.04994	9.1
73.06559	0.8
75.04478	2.4
77.03958	1.1
78.04708	3.4
79.05488	8.2
81.03413	1.9
81.07054	8.9
83.04981	1.8
83.08624	2.7
85.06528	4.5
86.00649	12.6
86.99038	1.1
89.03942	0.8
91.05479	10.0
93.07037	12.3
95.04967	100.0
95.08601	5.6
96.04504	1.7
97.02893	2.8
97.06527	14.4
97.10139	0.9
99.04453	16.5
99.08085	8.7
100.11281	1.2
103.05468	6.4
105.04508	1.5
105.07011	4.9
106.04153	1.9
107.04948	16.4
107.08581	9.4
109.02878	6.2
109.06516	12.0
109.10160	6.4
111.04457	2.5
111.08093	3.2
113.09634	1.4
115.07570	3.3
117.03388	1.1
119.08562	5.6
121.06502	14.5
121.10126	9.0
123.04410	6.9
123.08072	2.1
123.11701	3.0
124.03939	15.6
124.05260	1.8
125.06036	1.4
125.09616	5.8
127.07606	4.2
131.04926	4.9
131.05800	0.9
131.08565	3.5
132.01169	3.8
133.02885	1.0
133.10120	15.7
135.08038	2.5
135.11713	2.2
137.06000	5.4
137.09682	1.2
139.03888	1.4
139.11156	4.4
139.32297	1.2
140.03548	1.0
140.04631	1.8
141.05481	2.2
143.10690	1.5
145.10146	1.4
147.11693	4.4
148.05176	1.2
149.05975	17.0
149.09593	0.8
149.13258	3.7
151.03899	2.8
151.11201	3.4
152.04671	1.0
153.05481	2.0
153.09100	24.8
155.07043	1.2
159.04459	2.3
163.03865	1.2
163.11159	1.5
163.14882	2.3
165.05476	6.9
165.06699	1.4
165.12709	1.1
167.07034	64.3
169.08690	1.6
171.10170	4.5
173.13269	4.9
176.08409	1.1
177.05472	21.4
182.02711	4.6
189.78615	0.8
191.07053	1.4
191.14308	9.0
195.06396	1.5
202.46771	0.8
209.08092	5.2
209.11755	3.6
209.15320	15.7
227.09198	1.7
227.12808	1.0
227.16374	16.9
228.03229	2.8
228.73425	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1071
Annotation	Loganetin
Peak:m/z	Relative Intensity
53.03936	1.7
54.80191	0.8
55.01867	2.6
55.05513	8.9
57.90418	0.7
59.04984	0.7
67.05499	3.1
69.03420	2.6
71.01362	6.2
72.61008	0.9
79.05499	13.7
81.03424	1.5
81.07058	97.7
83.04980	6.6
87.00790	0.7
91.05470	3.9
93.07049	9.0
94.23998	0.7
95.04941	2.2
95.08604	9.8
97.02890	8.1
99.00818	1.9
101.06002	1.2
103.03940	4.4
103.05467	1.9
105.07033	30.7
107.04987	2.0
107.08598	1.8
108.05765	1.9
109.06519	100.0
115.03923	1.7
115.05466	1.4
117.07030	1.0
119.03413	1.8
119.06120	0.7
121.06528	4.3
123.08068	15.4
129.05492	1.3
132.05696	1.2
133.06491	37.0
135.08075	2.2
137.05975	15.5
147.08037	1.0
149.05981	1.8
151.07544	56.3
153.09111	1.1
155.07045	1.7
161.05984	22.0
165.09116	3.1
167.07013	1.2
169.08643	3.2
179.07031	70.3
193.08601	4.7
197.08101	14.4
211.09683	3.4
229.10733	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	229.1071
Annotation	Loganetin
Peak:m/z	Relative Intensity
51.02386	2.1
53.03944	9.2
55.01875	6.1
55.05500	6.9
57.03438	3.6
67.05502	17.0
69.03422	3.8
70.72726	4.7
71.01360	3.5
71.04990	3.7
77.03890	4.6
79.05489	68.6
81.03426	9.8
81.07060	40.8
83.04998	8.5
85.02888	2.3
91.05480	18.3
93.07047	19.1
95.04964	22.7
95.08605	16.3
96.35065	2.1
97.02896	10.6
97.06538	2.9
103.05464	17.5
105.04539	2.3
105.07032	66.9
107.04959	36.6
107.08609	4.2
109.02875	29.5
109.06524	49.4
111.04436	7.8
111.08084	32.0
115.05459	8.3
117.07019	12.7
121.06514	29.6
121.23663	1.9
123.04443	6.9
123.08074	18.4
127.03912	40.0
133.06476	37.1
135.04407	20.0
135.08078	2.3
137.05977	22.7
139.07513	3.4
141.05461	78.6
149.06024	3.1
151.03903	73.4
151.07549	38.6
153.05466	4.5
155.07086	5.4
161.05986	10.9
165.05482	18.0
167.07050	63.6
169.08617	4.8
179.07034	100.0
180.07353	2.5
193.08580	28.8
197.08101	11.9
211.09695	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	229.1434
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
53.03951	2.0
55.01865	4.7
55.05510	20.9
57.03441	11.0
59.05014	1.8
64.54414	1.6
67.05501	32.7
69.03420	6.5
69.07066	9.7
70.06606	1.7
71.05000	4.4
79.05495	20.3
81.03416	71.8
81.06618	3.3
81.07052	28.8
83.04982	23.8
83.08614	26.1
85.02917	14.3
85.06535	2.5
88.28170	1.5
91.05478	23.1
93.07050	12.4
95.04967	30.1
95.08604	12.2
97.02895	4.9
97.06532	2.7
97.10184	2.6
98.23679	1.6
99.08125	2.3
105.07027	18.0
107.04953	5.7
107.08589	8.7
109.06502	8.0
109.10162	14.0
111.04425	1.6
111.08096	15.3
113.06045	2.8
117.07021	2.6
119.08589	16.5
121.06474	2.1
121.10138	8.6
123.08070	4.1
123.11731	3.9
125.09598	1.7
129.06981	9.1
131.08611	9.0
133.06473	2.0
133.10150	10.9
137.09579	3.2
142.07713	2.3
145.10117	3.8
146.91844	3.2
147.08034	4.2
147.11722	13.4
149.09639	7.1
151.08655	3.4
155.08437	1.8
157.10147	14.3
159.11731	4.7
165.12776	3.3
173.09586	2.1
173.11852	2.6
175.11160	16.1
193.12234	74.7
211.13274	100.0
212.13551	2.1
228.23331	4.0
229.08626	3.7
229.12213	2.7
229.15791	6.1
229.19547	6.2
229.23544	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	229.1551
Annotation	Pro Ile
Peak:m/z	Relative Intensity
55.01887	0.5
56.76806	0.2
56.96567	3.0
58.06602	5.3
59.07381	1.3
60.07869	0.4
60.08165	6.5
68.05022	1.1
69.64050	0.9
70.06593	32.8
72.08186	0.8
74.74073	0.2
77.03910	0.2
77.54089	0.2
82.99857	0.2
84.08177	0.4
85.02936	0.3
86.09725	0.3
91.05492	0.5
93.07049	0.5
95.04971	0.5
96.08134	1.2
98.06063	0.6
98.23415	0.3
98.97585	4.9
101.00887	1.8
105.07024	0.6
105.91190	0.2
107.04987	0.2
109.06547	0.3
111.54229	0.3
114.05533	3.8
114.09171	2.0
116.07106	1.1
116.98638	1.8
119.01926	3.3
119.04956	0.4
121.06521	0.3
123.04448	0.5
124.07594	3.5
125.02325	0.2
125.13944	0.2
126.02303	0.4
126.09153	0.7
131.01915	0.4
133.06456	0.4
134.99632	0.7
137.02924	0.7
137.05931	0.4
140.03819	0.3
142.08635	29.7
144.99850	0.3
147.04410	0.4
151.03935	0.5
151.07585	0.3
158.04790	0.2
160.06468	0.4
165.05486	0.7
170.08145	1.1
187.00874	1.0
188.05940	0.5
189.04288	0.5
193.04956	0.7
206.06963	1.0
209.40875	0.2
211.05997	0.7
215.00383	0.5
224.08014	1.1
229.15474	100.0
230.06927	0.3
230.15797	1.1
247.01526	0.3
248.08035	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
57.03445	0.3
58.06598	5.2
59.07372	0.9
60.08167	6.0
61.02931	0.3
68.05017	0.8
69.03424	1.0
70.06591	30.9
72.08167	0.6
73.02917	0.7
81.03408	0.4
85.02890	0.9
85.06574	0.3
88.20476	0.3
96.08127	0.9
97.02880	1.2
98.06040	0.8
98.97572	0.5
101.00865	1.7
105.07016	0.7
114.05531	4.3
114.09173	1.6
116.07076	1.0
119.01909	2.8
124.07594	3.1
126.09110	0.5
127.03907	0.5
133.03448	1.1
139.04185	0.4
142.08633	26.3
148.04755	0.5
168.99855	0.3
170.08139	1.8
175.04510	0.6
183.11208	0.3
185.13135	0.3
187.00891	0.6
205.01944	0.4
211.06039	0.4
215.00383	0.6
229.15469	100.0
230.15836	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1799
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
53.03942	4.9
55.01863	3.7
55.05508	71.8
57.03437	4.2
57.07064	6.7
59.04731	1.6
59.04997	12.5
65.66059	1.6
65.88232	1.9
67.05503	39.0
69.03424	20.3
69.07061	29.7
71.04992	14.6
72.93159	2.3
73.92480	1.6
79.05482	12.1
81.03411	12.7
81.07054	35.2
81.72477	1.9
83.04974	72.4
83.08617	51.2
85.02886	3.0
85.06535	35.0
87.04459	2.1
91.05486	12.6
93.07043	23.0
95.04961	16.0
95.08598	22.7
97.02884	4.3
97.06514	5.0
97.10178	9.1
99.04453	2.3
99.08082	20.2
101.06001	11.3
105.07022	17.0
107.08588	42.7
109.06522	8.7
109.10147	100.0
111.08069	11.9
111.11693	2.6
113.06003	4.1
113.09619	1.6
119.08577	15.1
121.10145	15.9
123.08061	5.2
123.11700	42.9
123.12533	3.4
125.09633	23.2
127.07516	2.7
127.11189	33.1
129.06990	4.8
131.08582	4.0
133.06514	2.7
133.10126	10.8
135.08041	2.5
135.11671	34.1
137.09598	5.6
141.06937	2.3
141.12714	3.0
145.10132	2.9
146.92018	1.8
147.11664	6.1
149.13254	17.5
151.07545	2.9
151.08656	2.2
151.11180	14.3
151.14821	2.9
153.12776	11.4
155.08534	2.3
155.10669	5.1
157.10101	3.3
159.08046	1.8
159.11667	2.4
165.13049	1.8
165.16449	2.2
167.14310	39.9
169.12225	54.3
171.13806	3.2
175.11226	4.3
175.14783	12.7
179.07014	2.8
185.13707	1.6
185.15361	12.2
193.12225	16.8
193.15900	21.1
211.11310	2.8
211.13490	16.1
211.16916	99.4
212.17293	2.2
221.59375	1.7
229.04868	3.8
229.08556	4.1
229.12126	3.5
229.15860	5.5
229.17976	21.3
229.23526	3.6
239.25267	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	230.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	37.1
58.06594	2.2
58.69827	0.4
59.06919	0.6
60.08161	3.5
61.08495	0.4
61.59244	0.4
68.05022	0.4
69.92017	1.2
70.06593	15.2
71.06924	2.5
71.95258	0.8
71.95658	0.3
72.08162	0.8
72.96041	1.5
74.97601	0.5
75.84743	0.3
81.03430	0.8
83.97609	0.4
84.96033	0.9
86.09718	4.7
86.21461	0.4
96.08093	0.5
98.06065	0.4
98.97584	100.0
102.00970	0.5
110.97601	0.7
112.07543	0.4
114.05529	1.4
114.09165	1.0
116.00206	2.0
116.98623	49.5
119.01933	0.8
120.02047	0.7
124.00741	0.9
124.07588	1.4
126.02273	2.5
128.98586	1.1
134.01239	1.5
134.99654	15.3
140.00195	0.6
140.03835	3.2
142.05418	3.4
142.08630	11.7
143.08990	4.7
144.03351	1.0
146.99637	0.5
148.76707	0.4
151.17087	0.3
153.00769	0.9
158.04903	3.8
159.11298	0.4
160.06445	5.8
163.03940	1.2
170.04907	1.9
170.08049	0.7
171.03255	3.0
176.05887	0.9
178.07507	1.1
188.05917	3.8
189.00732	0.7
189.04344	11.8
202.07523	1.2
203.05823	0.8
206.07001	8.7
207.05402	5.6
212.05980	1.3
212.12744	0.7
220.08350	0.4
224.08054	9.5
229.15480	24.6
230.06984	17.1
230.15813	25.2
231.05385	2.4
231.07434	0.4
233.05116	0.4
248.08066	25.9
249.06413	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1592
Annotation	Talaromycin C
Peak:m/z	Relative Intensity
55.01870	2.0
55.05516	5.6
56.62073	1.1
57.03426	3.0
67.05506	7.0
69.03433	2.9
69.07071	10.5
69.47151	5.0
71.04987	5.0
75.04490	1.9
78.63283	1.1
79.05493	11.9
81.07057	15.5
83.04983	4.8
83.08615	4.6
85.06548	100.0
91.05489	4.2
93.07050	37.3
95.08611	22.5
97.06536	8.9
99.08099	10.0
105.07032	5.1
107.08594	13.2
109.10155	2.9
111.08085	2.7
119.08583	8.2
121.10152	65.3
123.11706	2.2
125.06009	1.0
125.09587	1.1
129.05476	3.8
131.08569	1.3
133.10146	2.3
139.07478	1.4
139.11180	22.7
140.11481	1.2
143.08629	2.6
149.13261	22.4
157.10226	2.1
157.12230	13.3
159.11731	6.6
167.14345	8.2
177.12764	16.3
195.13805	21.3
213.12816	1.1
213.14842	29.5
214.15332	1.3
231.06674	1.2
231.13794	4.2
231.15912	5.0
251.82481	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	3-Desoxo-achalensolide
Peak:m/z	Relative Intensity
53.03920	1.0
55.05507	5.9
56.28363	0.6
56.47155	0.7
57.03441	1.0
57.07060	2.1
59.04979	1.1
61.36478	0.7
65.03922	0.6
67.05504	6.3
69.03407	0.7
69.07074	7.4
76.84007	0.7
77.03921	0.7
79.05489	6.0
81.07052	9.8
83.08628	5.3
84.08131	1.0
85.06525	2.4
91.04930	1.1
91.05470	12.4
93.07044	15.6
95.04955	1.5
95.08595	10.7
97.06468	1.1
103.05473	1.7
105.06354	1.4
105.07024	18.6
107.04942	0.9
107.08588	21.7
109.06487	2.7
109.10157	5.4
115.05455	1.0
117.07027	7.8
119.08578	43.6
121.06493	2.2
121.10147	28.6
123.08090	1.4
123.11707	1.2
128.06239	1.3
129.06979	3.6
130.07790	4.4
131.08559	12.0
133.10121	38.7
135.08032	2.3
135.11703	5.3
137.09602	1.2
142.07811	0.8
143.08569	11.1
144.09341	5.5
145.10118	54.1
146.10545	0.8
147.08076	1.6
147.11690	7.1
148.89799	0.6
149.09679	4.0
149.13194	1.2
157.10133	10.2
158.10909	10.7
159.08052	1.3
159.11691	38.5
161.09619	1.6
161.13263	5.0
163.11182	2.1
163.14786	2.8
172.12462	9.3
173.08173	0.9
173.09644	0.7
173.13165	1.2
175.11078	1.2
175.14809	10.0
177.05496	3.8
177.16359	5.4
178.06218	4.2
185.13307	1.0
187.11157	1.1
187.14822	31.2
191.07051	1.4
203.14333	3.3
205.15858	3.7
215.14287	2.7
217.10645	0.8
233.11597	4.1
233.15353	100.0
233.22612	1.9
234.15742	1.3
251.16325	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.133
Annotation	Pterosin N
Peak:m/z	Relative Intensity
50.15949	0.3
51.02377	0.3
53.03933	1.3
55.01874	3.4
55.05507	3.1
57.07067	0.6
59.04986	0.5
63.57142	0.2
65.03637	0.3
65.03922	1.5
67.05505	8.2
69.03424	3.7
69.07063	2.7
71.01348	0.7
71.04990	2.6
72.08142	0.5
77.03906	2.6
79.05489	24.0
80.71496	0.2
81.03414	1.0
81.07053	37.8
83.04976	5.9
83.08632	0.5
85.02905	0.4
85.06531	1.4
85.15504	0.3
91.05477	20.4
93.07040	42.8
94.07361	0.3
95.04962	12.8
95.08602	7.6
95.09207	0.4
97.06527	9.1
99.04458	3.3
101.06030	0.6
103.05473	1.7
105.04504	2.3
105.07024	22.8
107.04949	8.4
107.08589	10.3
109.02911	0.3
109.06512	29.4
109.10139	0.9
111.04440	1.2
111.08082	1.1
113.06001	0.3
115.05408	1.6
117.07031	3.3
119.04934	1.4
119.06120	0.4
119.08578	14.4
120.08860	0.3
121.06499	100.0
121.10155	1.1
122.06798	0.5
123.04415	2.9
123.08047	3.6
125.05993	2.7
127.07549	10.0
128.06221	2.4
129.05533	0.5
129.07005	6.6
130.07779	0.7
131.04895	0.3
131.08557	4.4
133.06483	5.1
133.10114	5.1
135.04417	4.8
135.08035	6.4
135.11664	0.8
137.05974	4.4
137.09615	0.8
137.13208	0.4
139.07532	5.3
141.05388	0.6
141.06990	1.9
142.07761	5.0
143.07104	0.7
143.08554	9.0
145.06485	1.3
145.10118	4.4
146.07254	0.6
147.08037	5.4
147.11678	14.5
148.33505	0.3
149.05989	0.3
149.09595	1.3
151.07494	0.8
151.11066	0.3
153.05458	0.3
153.07013	0.4
155.08476	1.4
156.09325	4.6
157.06500	1.4
157.10120	14.1
158.07297	0.8
159.08025	1.8
159.11723	0.6
160.08838	1.1
161.05974	2.0
161.09602	1.8
161.13245	4.6
163.07558	0.4
163.11189	0.7
165.06999	2.2
165.11453	0.3
165.12715	1.3
166.07776	3.7
167.07063	0.4
169.06436	0.5
169.10095	0.4
170.07288	0.4
171.08064	1.5
171.11676	14.4
173.09567	2.0
173.13229	0.8
174.10426	0.3
175.07687	1.3
175.11176	22.6
179.07021	0.4
181.10114	4.9
183.08095	0.4
184.08810	2.0
189.09167	0.7
189.12737	20.1
191.10548	0.8
191.14355	0.3
193.12193	1.3
197.09477	0.3
199.11172	25.4
200.11507	0.5
200.20518	0.3
203.06989	0.5
207.08035	0.4
207.13838	0.7
207.43349	0.3
217.12225	43.8
218.10925	0.5
218.12761	0.3
235.13264	28.9
235.16591	1.6
236.09148	0.6
236.13644	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
50.92019	2.6
55.01846	3.0
55.05507	19.1
57.07066	4.8
59.04996	5.1
66.39127	2.5
67.05498	34.6
69.03416	3.0
69.07063	17.4
71.04987	35.3
73.06535	2.4
79.05492	28.1
81.07053	60.9
81.99598	2.2
83.04979	10.1
83.08619	7.0
85.06561	3.6
85.88977	2.3
86.69474	2.2
89.06026	14.0
91.05479	28.7
93.07039	50.8
95.04962	23.1
95.08019	4.0
95.08601	54.2
97.06525	6.2
97.10180	4.2
99.08138	4.2
103.05437	6.8
104.07093	2.8
104.10208	2.3
105.04482	2.3
105.07021	54.5
107.04908	3.9
107.08588	93.3
109.06538	12.8
109.10160	53.5
111.08074	23.0
112.04777	2.7
115.05421	3.9
117.06979	9.1
119.06029	2.7
119.08572	62.5
121.06494	19.5
121.10139	28.1
122.81091	2.8
123.04422	2.4
123.08049	7.8
123.11685	6.2
125.05980	3.5
125.09638	33.0
127.07558	3.1
127.11105	2.8
128.06232	2.3
129.06978	6.9
131.04898	2.8
131.08548	15.1
133.06464	5.7
133.10124	55.7
135.08038	6.7
135.11696	34.0
137.09567	5.4
139.07521	3.5
139.11205	2.5
142.07802	3.8
143.08528	7.2
143.10309	2.3
145.06491	6.6
145.10127	26.4
146.07202	2.3
147.08040	10.5
147.11685	86.4
149.09581	11.0
149.13245	11.0
151.07593	2.5
151.11137	3.7
153.09070	2.5
153.12729	15.2
156.07326	2.9
156.09381	2.5
157.10164	11.3
159.11690	13.1
161.05922	6.8
161.09608	9.6
161.13295	14.8
163.11137	4.1
165.12755	11.4
171.11679	5.7
173.05972	4.5
173.13252	8.4
174.08409	3.2
175.07487	6.4
175.11136	14.0
175.14809	17.4
176.08289	2.7
177.12601	3.9
179.10628	6.4
187.07599	3.5
189.09099	2.6
189.12720	4.8
189.16376	45.7
190.06149	3.4
191.07014	6.6
193.12146	3.8
193.15939	3.2
199.11313	2.9
199.14844	8.1
207.17407	3.3
212.85226	2.4
217.08742	5.4
217.12268	9.8
217.15860	47.4
217.19334	4.8
218.11049	8.1
235.07478	6.4
235.09451	3.2
235.13220	9.4
235.16901	100.0
235.20369	12.4
236.09155	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	235.1692
Annotation	(3E)-Laurediol
Peak:m/z	Relative Intensity
50.70082	0.4
51.02374	0.6
53.03939	2.2
55.01869	0.5
55.05509	2.7
62.41042	0.3
65.03953	0.6
67.05505	18.6
69.07063	2.8
70.18799	0.8
71.04986	1.4
77.03921	2.9
78.82748	0.3
79.05494	26.9
81.03416	0.7
81.07059	7.9
83.04990	0.9
83.08623	1.1
85.06557	0.8
86.87833	0.3
91.05481	33.4
93.07044	100.0
94.07388	0.4
95.04967	11.6
95.08603	6.2
97.06526	0.8
97.10191	0.4
101.06013	0.4
105.03883	0.6
105.04517	5.9
105.07026	4.9
107.08597	14.8
108.60632	0.3
109.06512	1.0
109.10174	1.9
113.05888	0.4
117.06998	2.5
119.08570	5.0
121.06489	0.8
121.10146	19.7
123.08022	0.3
123.11716	0.4
125.09602	0.4
129.07001	0.9
131.08571	3.5
133.10126	5.5
135.08066	1.9
135.11684	4.1
137.09619	0.8
143.08560	1.1
145.06415	0.5
145.10120	1.1
147.11665	0.9
149.09605	1.0
151.11163	0.8
153.09103	1.2
157.10117	1.3
161.09625	0.9
165.44850	0.3
171.11749	1.7
173.05930	0.5
173.13321	0.6
175.07501	0.4
175.11121	0.6
175.14868	2.2
189.12746	0.9
189.16367	1.2
190.06212	0.3
193.12282	0.5
199.14763	3.1
217.15901	2.9
218.11038	1.4
235.07559	0.3
235.16916	15.4
236.17282	0.3
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	(3Z)-Laurediol
Peak:m/z	Relative Intensity
53.03943	2.2
55.01875	0.6
55.05508	3.7
58.04322	0.5
65.03946	0.7
67.05504	19.8
69.07077	3.2
69.72379	2.0
69.72710	0.5
71.04984	1.1
77.03922	2.8
79.05489	32.7
81.07050	9.6
83.04987	1.1
83.08614	1.9
85.06522	0.8
90.12940	0.5
91.05476	35.0
93.07040	100.0
95.04966	11.0
95.08607	7.6
97.06551	1.0
97.10176	0.9
98.28159	0.6
101.05981	1.1
104.45451	0.6
105.04506	4.6
105.06449	0.6
105.07035	6.4
107.04972	0.5
107.08588	18.4
109.06507	1.6
109.10163	2.7
117.07011	2.3
119.08591	5.5
121.06509	1.5
121.10139	24.6
123.08095	0.7
129.06984	1.4
131.08575	3.1
133.10132	8.0
135.08029	2.5
135.11688	4.0
137.09593	1.4
143.08540	1.5
145.10153	1.1
147.08049	0.6
147.11665	1.6
149.09650	1.0
151.11128	0.8
153.09059	0.7
156.07388	0.7
157.08812	0.5
157.10103	1.5
160.12247	0.5
161.13158	0.8
171.11693	1.4
173.13239	0.8
174.08447	0.7
175.07579	0.6
175.11061	0.7
175.14841	3.1
179.10622	0.7
189.12683	1.0
189.16385	2.7
193.12129	0.7
199.14793	4.1
201.08688	0.6
201.27292	0.6
217.15802	2.2
218.11049	1.3
224.79033	0.5
235.13258	0.9
235.16896	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	235.1694
Annotation	(3Z)-Laurediol
Peak:m/z	Relative Intensity
50.01602	0.2
51.02380	0.8
53.03947	1.9
55.01867	0.5
55.05510	2.8
57.07073	0.6
59.05001	0.3
61.03441	0.2
65.03949	1.1
67.05505	22.0
69.03430	14.7
69.03735	0.2
69.07077	2.3
69.50470	0.9
71.04992	1.1
73.06583	0.3
76.09968	0.2
77.03924	3.3
78.04702	0.3
79.05494	27.9
81.03414	0.5
81.07058	10.2
83.04991	0.9
83.08641	1.4
85.06541	1.0
85.13493	0.2
89.66727	0.2
91.05482	36.9
92.05798	0.3
93.07044	100.0
94.07384	0.7
95.04967	13.1
95.08609	6.5
97.06554	1.1
97.07087	0.2
97.10174	0.9
98.22701	0.4
99.08082	0.4
101.06026	0.5
105.04520	5.6
105.07022	5.2
107.04948	0.5
107.08595	14.5
109.06524	0.8
109.10152	2.9
111.08092	0.8
115.31348	0.2
117.06993	1.3
118.06519	0.4
119.06128	0.3
119.08576	4.9
121.06505	0.9
121.10144	18.7
123.08091	1.2
123.11735	0.5
125.06059	0.2
128.06180	0.3
129.06987	1.1
131.08568	2.4
133.10126	8.0
135.08022	2.2
135.11684	3.5
137.09605	0.9
142.41722	0.2
143.08582	1.2
145.10179	1.1
147.08032	0.5
147.11688	1.2
149.09624	0.9
149.13295	0.3
151.11131	1.2
153.09108	1.2
157.10138	1.5
161.09644	0.6
161.13231	0.4
163.13110	0.2
167.10606	0.4
169.01736	0.2
171.11641	1.0
173.13312	0.8
175.11192	0.9
175.14838	2.1
179.10699	0.5
189.12769	0.5
189.16411	1.4
193.12196	0.5
199.14798	2.8
207.17435	0.5
217.15895	2.0
235.16934	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	235.1693
Annotation	(3E)-Laurediol
Peak:m/z	Relative Intensity
51.02368	0.9
52.35720	0.7
53.03943	2.9
55.01871	3.5
55.05516	8.8
55.80622	0.6
57.03437	1.5
57.07079	11.6
62.91618	0.7
65.03944	1.6
65.54211	0.6
67.05506	35.3
68.99773	0.7
69.03431	100.0
69.07064	10.5
71.04997	3.4
77.03928	2.3
79.05494	42.5
81.03416	2.1
81.07059	31.0
81.31162	0.7
83.04979	3.4
83.08612	5.8
85.06533	3.3
87.04475	0.9
91.05483	48.2
93.07046	79.7
95.04964	10.4
95.08613	20.1
97.06527	7.5
97.10166	2.1
99.08114	1.4
101.30909	0.7
105.04510	3.6
105.07037	17.6
107.04949	1.1
107.07855	1.4
107.08592	27.5
109.06523	7.2
109.10158	9.0
111.04441	1.1
111.08068	1.5
117.07037	5.6
119.08583	12.4
119.48447	0.8
121.06500	2.1
121.10149	29.4
123.08076	7.4
123.11697	3.2
125.06009	0.7
125.09646	1.1
129.07013	2.9
131.08566	7.7
133.10135	29.7
135.08038	2.8
135.11714	5.0
137.09622	1.8
139.07562	1.1
139.11211	1.0
143.08574	2.0
145.10143	1.7
147.08119	1.3
147.11708	6.7
149.09641	2.4
149.13277	0.9
151.07587	1.0
151.11183	5.1
153.09096	1.1
157.10095	3.7
161.06044	1.4
161.09633	1.9
161.13255	1.6
165.12762	1.6
167.10834	0.7
167.14438	0.8
171.11670	1.6
173.13301	1.8
175.11226	1.9
175.14804	3.8
179.07065	5.1
179.10680	0.8
189.12746	1.5
189.16415	5.2
193.12250	2.4
199.14777	5.3
207.17488	2.9
217.12228	1.1
217.15872	7.1
218.11136	1.2
235.13403	8.6
235.16925	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	(3Z)-Laurediol
Peak:m/z	Relative Intensity
51.02370	0.7
51.67902	0.5
53.03949	3.0
55.01848	0.6
55.05515	2.7
57.07083	0.8
65.03938	1.4
67.05506	19.0
69.07047	2.6
69.79916	1.1
69.80269	1.4
71.04994	1.4
73.26138	0.5
76.93007	0.5
77.03947	2.7
79.05492	28.3
80.44693	0.6
81.03413	0.7
81.07065	8.4
83.00295	0.5
83.08633	1.3
85.06557	0.7
91.05480	38.3
93.07044	100.0
95.04970	12.7
95.08601	6.3
97.58008	0.6
99.08105	0.6
101.06021	1.2
105.04522	6.2
105.07017	4.7
107.04978	0.8
107.08595	15.2
107.56152	0.6
109.06517	1.2
109.10149	3.2
111.04504	0.9
117.07021	1.3
119.08608	5.0
121.06516	0.9
121.10145	19.1
123.08101	0.9
129.07010	1.6
131.08588	2.4
133.10138	5.9
135.08089	1.5
135.11681	4.0
137.09616	1.2
143.08589	1.0
145.10072	0.6
147.08073	0.8
147.11656	1.0
148.04620	0.6
149.09648	1.4
151.11192	1.0
153.09105	1.2
157.10138	1.8
161.97792	0.6
171.11694	1.6
173.13295	0.9
173.80516	0.6
174.08411	0.8
175.14838	2.2
189.12805	0.8
189.16376	1.5
191.60651	0.6
199.14795	2.7
217.15881	2.1
218.11098	1.9
235.13263	0.9
235.16905	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	237.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
54.17226	1.2
55.05516	6.2
56.96545	2.0
57.03434	12.3
59.05000	1.9
59.15582	1.3
59.57992	1.4
61.02908	1.3
69.07069	2.0
70.20236	3.8
71.01367	2.4
71.04992	53.7
73.02918	5.1
73.06566	6.6
74.39270	1.4
75.04485	10.2
83.04981	8.9
85.02906	100.0
86.06078	2.4
87.04465	8.8
87.08098	1.8
98.97575	1.9
101.06024	5.3
103.03965	1.9
111.04445	3.6
120.08120	10.6
129.05470	21.4
147.06531	7.5
152.10733	4.5
155.88329	1.3
164.60115	1.3
167.92653	1.4
183.10228	1.7
197.66956	1.5
237.07535	1.5
237.09697	2.5
238.14359	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	237.1487
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03947	1.0
53.47667	0.4
55.01870	1.9
55.05510	4.3
57.03428	1.4
57.07073	1.8
59.05002	1.8
65.03901	0.4
67.05508	5.4
67.43175	0.4
69.03430	1.1
69.07073	3.5
71.04993	1.9
71.45540	0.4
77.03932	0.5
79.05495	5.2
81.03408	1.6
81.07058	10.2
83.01336	0.5
83.04980	3.7
83.08633	2.0
85.02905	4.1
85.06543	2.5
91.05482	6.2
93.03349	0.4
93.07044	10.1
95.04970	8.0
95.08607	5.8
97.06516	2.3
97.10167	0.6
99.04449	3.8
99.08091	0.4
103.05466	0.6
105.04538	0.7
105.07028	4.5
107.04951	3.7
107.08595	5.9
108.05741	1.1
109.06518	27.2
109.10147	2.4
111.04460	0.4
111.08060	2.0
111.11760	0.5
115.05447	0.6
117.07024	3.3
119.08578	5.5
121.06503	9.3
121.10120	4.0
123.08063	2.9
123.11694	0.9
125.09612	0.7
126.88766	0.3
128.06151	0.6
129.06975	1.1
130.07779	0.4
131.08559	6.1
133.06487	0.4
133.10126	3.9
135.08073	7.6
135.11687	3.3
136.08797	0.3
137.05986	6.1
137.09612	1.1
139.07562	3.4
139.11237	0.3
141.06972	0.7
143.08546	1.1
144.09349	3.6
145.06514	0.9
145.10138	3.1
147.08028	1.3
147.11714	0.7
149.09619	1.5
149.13217	2.3
151.07562	2.7
151.11195	0.7
153.09088	1.2
157.10129	1.4
158.10864	1.0
159.08093	0.7
159.11690	18.0
161.09593	2.3
161.13263	0.4
163.07552	8.6
163.11169	3.7
163.14832	0.7
164.08322	0.8
173.13257	3.2
175.11223	1.1
177.09061	0.5
177.12746	6.1
181.08600	11.9
183.11580	0.4
191.14320	2.6
195.13789	0.4
201.12703	1.8
201.16426	0.8
205.12112	0.4
219.10286	0.5
219.13794	8.6
219.17323	0.9
237.14844	100.0
238.15260	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1486
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
50.29855	0.5
53.03957	1.6
55.01873	9.0
55.05511	15.7
57.03434	4.6
59.05014	1.0
65.03950	1.7
67.05506	18.4
69.03454	0.9
69.07066	9.3
70.56492	1.3
71.05014	2.1
79.05495	16.4
81.03425	2.9
81.07059	23.3
83.04989	5.4
83.08606	6.0
85.02906	0.6
85.06538	0.9
87.04507	0.6
91.05482	10.2
93.03408	1.1
93.07047	9.8
95.04971	15.8
95.08605	14.9
97.06532	3.7
97.10179	1.5
99.04456	2.8
99.08059	0.7
103.05496	0.8
105.04521	1.2
105.07020	5.5
107.04954	19.0
107.08608	6.1
108.05724	5.8
109.06519	100.0
109.10165	2.7
111.04448	0.7
111.08120	1.4
117.07014	4.0
119.08594	6.1
121.06498	10.1
121.10124	3.3
123.04382	0.7
123.08064	8.8
123.11709	1.2
125.09599	1.6
129.07010	1.3
131.08577	8.3
133.06496	1.1
133.10101	1.7
135.08046	5.0
135.11678	2.7
141.06961	1.9
141.26868	0.6
143.08528	0.7
145.06496	0.9
145.10124	7.6
147.08075	2.9
147.11595	1.3
149.09612	2.3
149.13254	0.7
154.95219	0.6
155.08575	2.0
157.10110	1.0
159.07985	0.8
159.11697	3.0
163.11186	16.7
163.14804	1.0
166.07823	0.9
167.08542	1.2
168.09247	0.7
169.10117	2.4
173.13264	5.9
175.11148	1.7
177.12714	0.7
177.16225	0.6
181.10130	2.2
183.11639	1.1
191.14314	4.4
195.11644	5.4
201.12753	3.3
209.13194	0.8
219.13814	12.7
237.14752	77.9
238.15240	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03941	2.3
55.05510	48.5
56.63614	1.3
57.03432	1.3
57.07073	2.0
59.04992	2.0
61.56770	1.1
62.89025	1.1
67.05490	9.3
69.03423	4.7
69.07061	5.5
69.27692	5.6
71.04992	32.2
73.06536	1.6
79.05474	8.0
81.06581	1.0
81.07055	29.3
83.04978	54.2
87.08106	1.3
91.05463	10.2
93.07044	21.1
95.04977	8.2
95.08607	10.0
97.06539	9.6
99.08084	2.5
105.07030	33.4
107.08589	20.5
109.06531	7.9
109.10148	19.4
111.08063	7.4
113.09700	1.4
117.07028	3.0
119.08568	7.3
121.10136	25.2
123.08059	4.4
123.11713	11.1
125.09618	2.6
127.11180	12.1
131.08585	11.5
133.10124	100.0
135.08092	1.7
135.11699	12.8
137.09668	1.6
137.13173	2.0
139.11179	16.1
143.10611	1.5
145.10127	13.6
147.11687	13.3
149.09607	2.7
149.13257	8.4
151.11182	31.3
153.12752	13.9
155.10646	2.0
159.11697	17.7
161.13327	3.8
163.11188	4.7
167.14375	2.2
175.14857	1.2
177.12819	3.2
177.16293	1.5
181.12140	1.7
191.10690	1.3
191.17923	1.6
201.16394	14.1
219.17436	21.8
237.18475	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	237.185
Annotation	Sirenin
Peak:m/z	Relative Intensity
50.96258	1.1
51.02357	1.3
53.03946	1.8
55.01880	1.7
55.05507	10.2
57.03431	3.5
57.07065	2.3
59.04996	5.2
67.05502	18.0
69.03426	15.1
69.07067	8.8
71.04993	33.2
71.38127	1.0
77.03933	1.4
79.05498	22.8
81.07056	100.0
83.04975	2.0
83.08625	4.3
85.06541	6.0
91.05477	8.9
93.07052	20.4
94.07388	1.2
95.04973	6.1
95.08605	17.1
97.06522	8.1
97.10179	4.6
98.09676	2.5
99.08096	49.3
105.07034	25.9
107.08593	23.3
107.09265	2.1
109.06518	15.5
109.09422	2.2
109.10159	32.7
111.08087	1.8
117.06999	2.7
119.08575	10.4
121.10157	14.6
123.08072	4.5
123.11708	12.0
125.09657	8.5
127.06857	0.6
127.07561	28.4
127.11195	30.5
131.08571	6.6
133.10127	41.8
135.11699	6.8
137.09583	2.4
139.11176	4.1
143.10689	7.7
145.10126	15.3
147.11670	11.8
149.09631	2.0
149.13246	7.5
151.11183	47.1
152.53853	1.1
155.10675	13.2
156.13832	2.1
159.11705	5.3
161.13254	5.4
163.11131	1.5
165.12785	3.3
166.84280	1.2
169.12250	5.2
171.91098	1.1
173.13239	2.5
175.14932	1.3
177.16403	1.4
179.14406	1.1
191.17941	2.4
201.16380	9.3
219.17453	14.1
237.18483	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	237.185
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03957	2.4
55.01865	2.6
55.05508	9.3
57.03442	3.2
57.07077	2.5
59.05015	7.8
65.03957	1.9
67.05505	22.6
69.03423	11.7
69.07066	8.8
70.50211	3.7
71.04992	27.1
73.52219	1.6
73.75209	1.3
79.05503	16.3
81.07056	100.0
83.04951	1.5
83.08620	3.9
85.06536	5.0
91.05502	13.1
93.07043	87.0
95.04985	11.7
95.08604	30.9
97.06531	7.0
97.10197	1.8
99.08102	24.3
103.05524	1.5
103.63622	1.9
105.07028	35.5
107.08589	28.9
109.06509	12.2
109.10157	24.8
111.08085	4.0
113.06014	3.1
115.05483	2.1
115.07599	2.7
117.07012	4.9
119.08586	19.5
121.06483	2.5
121.10145	14.3
122.18253	1.8
123.08074	6.7
123.11708	41.9
125.09631	7.2
125.55630	1.5
127.07573	11.3
127.11206	16.0
131.08578	7.6
133.06538	1.8
133.10130	59.1
135.11690	11.5
137.09602	3.7
139.11200	2.2
143.10672	5.5
145.10104	12.3
147.11674	10.7
147.90773	1.8
149.09637	3.9
149.13292	7.2
151.03902	2.3
151.11179	50.7
153.05452	1.8
155.10696	6.6
158.99034	1.6
159.08139	2.8
159.11659	10.1
161.13264	7.3
163.07535	3.1
163.11143	3.5
165.12759	2.3
173.13312	6.2
177.12709	4.0
190.73531	1.7
191.07072	7.3
191.14426	1.9
191.17958	4.2
201.16373	14.4
206.48546	1.6
219.10139	4.3
219.17461	36.6
237.09398	3.7
237.18481	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	237.1849
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03940	1.5
55.01858	2.5
55.05507	12.5
57.03434	4.1
57.07056	3.6
59.05007	7.5
65.03924	1.8
67.05505	21.6
69.03424	15.9
69.07067	11.2
69.15887	9.8
71.04992	36.0
79.05494	18.6
81.07053	100.0
83.04960	4.7
83.08614	4.9
85.06536	5.2
91.05470	14.3
93.07043	52.3
95.04978	9.6
95.08604	24.2
97.06538	11.1
97.10159	4.3
98.97570	2.1
99.08089	31.1
103.05452	1.7
105.07037	33.4
107.04953	1.6
107.08589	31.4
109.06530	15.1
109.10163	27.5
111.08087	2.8
113.06035	3.0
113.09634	2.1
114.22340	1.4
117.07020	4.5
119.08575	17.2
121.06496	3.1
121.10133	19.1
123.08048	5.7
123.11701	28.6
125.09608	9.7
127.07555	14.3
127.11198	24.6
129.07011	1.5
131.08530	7.1
133.10123	57.7
135.08041	1.9
135.11702	12.8
137.09579	3.3
139.11159	3.5
143.10648	6.2
145.06502	3.0
145.10110	16.3
147.11688	15.4
149.09570	2.7
149.13280	6.9
151.11179	53.1
152.78169	1.3
155.10667	10.0
159.11667	10.3
161.13293	6.7
163.11124	2.6
164.07074	2.5
165.07301	1.6
165.12721	3.1
169.12267	2.7
173.13286	2.5
175.14795	2.7
177.12781	1.9
177.16360	1.9
189.09187	1.7
191.07013	1.8
191.14365	3.2
191.17943	2.6
201.16383	11.5
219.10045	3.8
219.14102	1.8
219.17444	25.2
237.09421	6.5
237.14822	3.5
237.18457	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	239.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94680	0.1
52.12804	0.2
53.03936	0.6
55.01857	0.3
55.05487	0.6
60.93289	0.2
62.09720	0.2
65.03918	0.3
66.04710	0.4
67.05490	0.7
69.03401	0.2
69.07054	0.5
71.04977	0.4
72.23188	0.2
77.03927	0.8
79.05486	2.4
81.03416	0.2
81.07053	2.1
83.04968	0.2
85.02900	0.8
85.06532	0.7
89.38197	0.2
91.05479	3.0
93.07027	0.7
94.04190	1.3
95.04969	1.9
95.08585	1.0
97.06505	0.2
101.05979	0.5
105.03399	1.5
105.04499	0.8
105.07023	0.6
107.04930	0.9
107.08602	0.4
108.05795	0.2
109.06515	2.9
109.10143	0.5
111.04414	0.4
113.06082	0.2
119.04919	0.9
119.08562	0.5
121.02853	0.3
121.06509	0.4
121.10110	0.3
122.03626	0.4
123.04424	0.3
123.08011	0.2
123.11709	0.4
133.02869	1.3
133.10161	0.4
135.04420	2.4
135.07996	0.2
135.11635	0.4
137.05977	2.7
137.09605	0.3
139.03896	0.7
139.11166	0.2
147.04364	0.6
147.11699	0.3
149.02330	2.1
150.03049	0.8
151.03909	0.5
151.07401	0.2
165.05464	100.0
166.05800	0.9
175.03886	0.4
179.06992	1.0
181.04907	0.4
197.08049	0.3
199.10359	0.2
203.14168	0.3
207.06432	0.9
221.15369	0.2
221.19104	0.2
239.06952	0.2
239.08951	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0914
Annotation	Sinapic acid methyl ester
Peak:m/z	Relative Intensity
53.03942	0.6
55.01870	0.2
55.05484	0.1
65.03935	0.3
67.05503	0.5
68.91528	0.2
69.07032	0.1
70.97033	0.2
72.74270	0.2
77.03930	0.8
78.48669	0.1
79.05495	2.4
81.06633	0.2
81.07059	1.7
85.02914	1.2
85.06544	0.3
89.05993	0.2
91.05477	4.0
93.03374	0.1
93.07055	0.8
94.04180	1.3
95.04965	2.0
95.08588	0.3
95.51246	0.2
101.06003	0.6
105.03400	1.7
105.04511	0.6
105.07001	0.2
107.04955	1.6
107.08638	0.4
109.02885	0.2
109.06517	3.3
109.74634	0.1
111.04425	0.3
117.05479	0.3
119.04934	1.0
119.06078	0.2
119.08578	0.2
121.02867	0.5
121.06514	0.4
122.03651	0.5
123.04422	0.4
123.08104	0.3
126.48724	0.1
133.02850	1.2
133.06516	0.2
135.04411	3.2
137.05978	2.4
139.03818	0.7
147.04358	0.7
148.85352	0.1
149.02350	2.9
150.03119	1.2
151.03830	0.2
151.07559	0.4
165.05473	100.0
166.05826	1.3
169.08565	0.2
175.03909	0.6
179.07033	0.7
179.08690	0.2
181.04988	0.4
183.04761	0.2
197.08014	0.3
203.17838	0.2
207.06564	1.4
239.09030	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94680	0.1
52.12804	0.2
53.03936	0.6
55.01857	0.3
55.05487	0.6
60.93289	0.2
62.09720	0.2
65.03918	0.3
66.04710	0.4
67.05490	0.7
69.03401	0.2
69.07054	0.5
71.04977	0.4
72.23188	0.2
77.03927	0.8
79.05486	2.4
81.03416	0.2
81.07053	2.1
83.04968	0.2
85.02900	0.8
85.06532	0.7
89.38197	0.2
91.05479	3.0
93.07027	0.7
94.04190	1.3
95.04969	1.9
95.08585	1.0
97.06505	0.2
101.05979	0.5
105.03399	1.5
105.04499	0.8
105.07023	0.6
107.04930	0.9
107.08602	0.4
108.05795	0.2
109.06515	2.9
109.10143	0.5
111.04414	0.4
113.06082	0.2
119.04919	0.9
119.08562	0.5
121.02853	0.3
121.06509	0.4
121.10110	0.3
122.03626	0.4
123.04424	0.3
123.08011	0.2
123.11709	0.4
133.02869	1.3
133.10161	0.4
135.04420	2.4
135.07996	0.2
135.11635	0.4
137.05977	2.7
137.09605	0.3
139.03896	0.7
139.11166	0.2
147.04364	0.6
147.11699	0.3
149.02330	2.1
150.03049	0.8
151.03909	0.5
151.07401	0.2
165.05464	100.0
166.05800	0.9
175.03886	0.4
179.06992	1.0
181.04907	0.4
197.08049	0.3
199.10359	0.2
203.14168	0.3
207.06432	0.9
221.15369	0.2
221.19104	0.2
239.06952	0.2
239.08951	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01883	2.4
57.03440	6.5
59.04999	3.3
60.19687	0.5
61.02930	9.6
61.08419	0.4
61.08733	0.4
61.68057	0.5
69.03430	15.7
71.01357	0.8
71.04979	1.7
71.43746	0.6
73.02907	4.0
77.06060	0.5
81.03413	5.3
83.01347	0.7
85.02905	100.0
87.04465	2.4
91.03963	5.1
97.02894	22.0
98.88748	0.5
98.97545	0.7
99.04459	3.8
101.02386	1.4
103.03920	0.8
109.02885	9.1
115.03922	2.3
119.17487	0.4
120.08125	0.7
127.03911	19.4
129.01868	0.6
143.03365	0.7
145.04958	24.5
157.01286	1.0
163.06026	4.3
164.10695	0.9
171.02933	0.5
189.03978	2.3
203.05545	0.7
208.09767	1.0
240.12384	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	239.1278
Annotation	Stachyline D
Peak:m/z	Relative Intensity
53.03944	10.3
55.01857	4.1
55.05513	19.5
57.03428	4.3
57.07058	2.3
59.04979	1.6
65.03942	1.5
67.05500	22.2
69.03419	5.0
69.07079	6.7
69.60988	3.0
69.61340	3.3
71.04978	3.9
73.06560	1.4
79.05043	1.9
79.05485	22.7
80.94851	7.5
81.03416	26.0
81.06625	2.0
81.07059	25.5
83.04974	9.5
83.08622	15.8
84.45206	1.2
85.02908	10.4
85.06541	2.0
89.06021	7.8
91.05477	25.3
93.07047	11.0
94.07201	1.3
95.01321	7.7
95.04964	17.9
95.08609	10.5
97.02890	8.4
97.06511	6.1
97.10157	2.0
98.23383	2.7
99.04424	2.4
99.08073	2.1
104.30354	1.3
105.07023	28.2
107.04942	5.2
107.08580	5.7
109.02874	83.4
109.06481	7.3
109.10132	4.5
110.03661	4.0
111.04441	8.3
111.06924	1.6
111.08067	7.4
113.06038	1.4
115.05453	1.6
117.06966	3.0
119.04919	3.6
119.08578	24.1
119.89513	1.5
121.06475	4.3
121.10089	2.5
123.04426	33.9
123.08047	6.2
125.09621	2.5
128.06148	1.6
129.07004	9.3
131.08568	7.7
133.06482	8.0
133.08609	3.0
133.10147	8.1
135.04376	2.3
135.08072	1.8
137.05959	3.3
142.07747	2.5
143.08571	1.7
145.10068	3.0
147.08009	4.2
147.11693	21.4
149.09595	2.7
151.03906	4.1
151.07516	2.4
157.10121	17.1
161.09537	2.1
165.12726	6.2
166.98615	1.6
175.11177	23.0
183.11627	1.6
185.09633	3.3
193.12219	25.1
197.13190	1.8
203.10689	11.0
221.11729	53.8
239.06451	2.8
239.08951	66.7
239.12747	100.0
239.15263	4.5
239.17938	6.4
256.50763	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2005
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
50.23744	1.7
51.39604	1.7
51.61211	1.8
53.03954	2.6
53.32449	1.8
55.05509	13.5
57.03412	2.3
57.07069	5.9
59.04992	8.1
61.89753	1.7
67.05500	8.5
69.03431	2.0
69.07072	15.6
71.04984	2.7
79.05482	8.1
81.07057	33.2
83.08617	8.1
84.59963	2.1
85.02900	2.3
85.06542	5.3
91.05478	6.6
93.07035	10.9
94.04173	1.8
95.04987	4.0
95.08597	32.2
95.88902	2.0
97.06531	2.6
97.10157	6.3
98.23468	5.7
99.08070	2.7
99.84554	1.8
105.03402	2.3
105.07031	6.6
107.08604	18.7
109.06532	5.0
109.10168	16.5
111.08083	5.6
111.11708	3.7
119.08559	9.8
121.10153	10.2
123.08070	2.3
123.11708	13.7
125.09615	4.7
133.02843	2.5
133.10109	8.9
135.11694	16.7
137.05939	2.5
137.09619	2.9
137.13258	24.7
139.11171	7.8
147.11713	11.5
149.13278	6.4
151.11205	4.8
161.13271	4.6
162.72406	1.8
163.14857	9.9
165.05479	100.0
165.12721	2.3
177.16438	3.3
193.19559	2.1
203.17937	17.8
221.19037	19.5
239.08864	7.1
239.20053	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	239.2008
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
51.54454	4.4
53.27922	3.9
53.53783	4.4
53.74913	4.0
55.05514	48.2
57.07066	15.7
59.05006	30.3
62.06061	4.4
67.05518	31.8
69.03381	4.6
69.07072	40.6
70.67000	7.1
71.04987	14.6
79.05482	17.0
81.07060	100.0
83.08622	30.5
85.06561	5.6
91.05480	13.1
93.07037	40.5
95.08025	6.5
95.08607	98.4
97.06520	16.3
97.10166	16.4
98.23455	4.8
99.08105	9.4
102.80521	5.2
105.07023	22.4
107.04115	4.4
107.08589	56.2
109.06544	8.0
109.10156	54.2
111.08102	9.2
111.11705	18.5
115.07559	4.7
119.08578	38.5
121.10133	39.4
123.08031	6.7
123.11706	40.5
123.17752	4.3
125.09603	10.5
127.11205	8.8
133.10143	31.8
135.11699	57.6
137.09644	6.3
137.13248	78.4
139.11169	20.1
143.10690	16.0
147.11687	29.8
148.99620	4.0
149.13243	14.0
151.11198	15.1
151.14764	4.5
153.12717	10.8
157.12260	8.2
161.13289	20.7
163.14833	25.7
165.05473	37.1
165.12733	9.7
175.14841	5.2
177.16345	10.5
179.10815	5.1
193.19571	6.3
203.17950	59.6
214.43364	4.3
221.18993	65.2
239.08836	9.5
239.20128	45.2
240.19629	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	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.05510	38.1
57.03449	3.8
57.07077	21.8
59.04997	24.0
61.50048	3.2
65.03934	3.5
67.05505	24.2
69.07071	46.3
69.51585	7.2
69.51962	6.6
71.04989	8.2
71.08643	3.9
73.06549	5.3
75.54586	3.7
79.05489	19.9
81.06575	5.0
81.07056	100.0
83.08614	22.8
85.06557	5.1
91.05495	10.2
93.07040	38.5
95.04954	4.6
95.08019	7.4
95.08604	99.0
97.06522	13.6
97.10154	14.0
98.22668	4.0
99.08044	5.0
105.07041	16.2
107.08601	53.6
109.06523	8.6
109.10150	50.1
111.08095	15.3
111.11722	12.3
115.07530	4.1
115.15489	3.2
119.08562	33.9
121.10152	31.1
123.11721	40.5
125.09637	14.7
127.11202	6.3
133.10121	27.9
135.11682	56.0
137.05959	3.5
137.09686	5.5
137.13248	76.1
139.11156	18.4
143.10722	11.7
147.11691	37.7
148.33305	3.5
149.13210	20.4
151.11185	9.6
151.14738	3.5
153.12753	5.8
157.12213	6.2
161.13258	16.8
163.14818	35.3
165.05463	43.4
165.12700	5.2
177.16409	11.6
193.19539	7.6
203.17966	69.4
209.12894	4.0
221.18999	90.4
239.09015	10.1
239.17949	6.7
239.20064	40.9
240.19766	4.0
254.87761	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2008
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.05507	33.2
57.03432	4.9
57.07074	18.0
59.05006	33.3
65.01906	3.1
67.05503	25.1
69.03429	3.7
69.07061	43.8
69.21770	12.1
71.04977	5.2
71.73967	3.0
73.06567	3.6
79.05494	16.9
81.07052	100.0
83.08634	26.1
85.06532	9.4
89.05991	3.9
90.00128	2.9
91.05464	13.6
93.07039	32.0
95.08604	98.4
97.06532	10.9
97.10162	16.9
99.08096	6.0
105.07020	19.5
107.08589	55.8
109.06500	7.3
109.10160	52.1
111.08083	13.9
111.11722	15.2
115.07513	3.1
119.08585	35.8
121.10130	36.8
123.08058	4.2
123.11695	36.5
125.09624	19.5
133.10132	32.2
135.11693	62.4
137.13257	70.5
139.11150	28.2
143.10666	16.2
147.11665	31.3
149.13243	13.6
151.11186	11.7
151.14859	4.2
153.12679	4.3
156.76611	2.9
157.12248	6.5
161.13232	17.0
163.14813	36.5
165.05510	39.9
165.12724	5.8
175.14832	7.3
177.16428	8.7
179.03673	3.0
179.14189	3.1
193.19475	8.6
203.17928	66.6
221.19002	70.2
239.06897	4.7
239.08839	18.8
239.17729	2.7
239.20045	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	0.3
61.92434	0.2
64.38914	0.2
71.19971	0.3
85.02899	0.6
86.03254	0.3
91.05458	0.6
94.06588	0.3
96.71413	0.2
97.02895	0.3
115.24998	0.2
117.05689	0.5
118.06543	3.3
120.08106	4.4
133.02025	0.2
134.09615	0.4
136.06177	0.4
136.07584	1.7
146.06017	11.0
159.57819	0.2
162.09143	0.9
164.07068	6.6
164.10730	5.2
166.08705	0.3
178.08632	17.9
180.10242	0.5
181.07440	0.5
190.08609	1.0
196.09686	8.8
207.08952	0.4
208.09692	7.9
210.07655	0.3
222.11246	8.3
223.11609	0.3
224.09222	0.3
225.09981	0.7
240.12306	100.0
241.12617	1.4
241.15469	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08211	0.2
57.86275	0.2
70.68524	0.3
91.05466	0.7
94.06564	0.2
117.05765	0.5
118.06535	3.5
118.07317	0.4
120.91221	0.2
134.09653	0.6
136.07568	1.0
146.06001	13.0
164.07062	4.4
166.04979	0.3
173.75500	0.2
178.08627	20.7
179.08954	0.3
180.10280	0.5
181.07271	0.5
190.08641	1.0
196.09685	11.5
204.10245	0.2
207.08861	0.4
208.09679	3.0
209.10359	0.2
210.07611	0.5
222.11255	9.7
224.09157	0.3
225.09900	1.2
240.12297	100.0
241.12611	1.6
241.93787	0.2
250.16454	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	240.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.6
57.26694	0.2
67.05483	0.5
69.07073	0.5
71.78575	0.2
72.04499	0.9
74.06069	0.6
75.44675	0.2
79.05480	0.9
80.05008	0.3
81.07045	1.2
82.06573	0.6
84.08152	0.3
91.05479	1.1
92.05035	0.2
93.07047	1.1
94.06564	0.7
95.08610	1.2
96.08124	0.2
100.07622	0.3
105.07044	0.3
107.08576	0.5
108.04463	0.2
108.08138	1.1
109.02897	0.2
109.06499	0.2
110.09621	0.3
112.07585	0.6
114.09180	0.3
117.05731	0.5
118.06536	2.6
122.09676	1.1
123.10423	0.3
124.07576	3.7
124.11177	0.2
126.09135	0.4
128.10692	0.6
129.64317	0.2
134.09663	0.6
135.11659	0.6
136.07523	0.6
136.11186	1.5
137.13266	0.5
137.49258	0.2
137.50688	0.2
138.09123	0.8
139.09885	0.7
140.10693	0.8
142.12289	1.5
146.06003	11.0
150.12784	1.2
151.13533	0.7
152.10687	2.1
152.14352	0.5
153.11436	0.5
154.12280	1.2
164.07062	2.9
165.05492	1.5
166.05838	2.3
166.12268	3.9
167.03438	0.2
167.13054	1.7
168.13838	1.1
173.67851	0.2
178.08621	16.3
178.15897	0.3
179.09015	0.4
180.10176	0.3
190.08652	0.8
194.15448	1.5
196.09721	8.4
196.16959	100.0
197.17294	1.1
198.18575	1.2
208.09679	2.2
222.07787	0.4
222.11250	8.2
224.09149	0.3
225.09998	0.8
240.12299	74.6
240.19556	57.0
241.12617	1.1
241.19899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01870	3.6
55.05511	3.2
59.05000	4.5
60.78613	1.5
62.00299	1.2
65.03922	2.5
67.05494	6.9
69.03427	10.8
69.07076	1.5
77.03932	3.9
79.01808	1.4
79.05495	29.3
81.03419	3.9
81.07064	4.3
85.02900	2.9
85.06556	1.5
87.04465	3.4
91.05489	7.9
93.03389	2.5
93.07043	9.5
95.04966	14.0
95.08620	4.5
97.02911	8.8
97.06528	2.5
103.05475	5.3
105.03405	2.0
105.04514	3.5
105.07032	4.1
105.81293	1.4
107.04955	24.8
107.08578	2.4
109.02878	100.0
109.06520	9.9
111.04446	3.3
111.08121	2.2
119.08701	1.3
121.02871	3.6
121.06509	14.8
121.10165	2.7
123.04455	10.3
123.08138	1.4
125.02344	1.7
125.06002	3.9
127.03967	1.9
131.04953	3.7
133.02904	1.6
133.06476	2.0
135.04384	6.7
135.08096	2.0
137.06001	5.5
137.09633	1.8
139.03893	13.7
139.07547	4.5
139.11182	1.7
141.05460	5.8
145.10139	1.5
149.02362	2.5
149.05981	22.6
151.03902	11.8
153.05478	1.5
163.07579	3.9
165.05479	63.2
167.03413	11.2
167.07028	15.3
175.11145	1.3
177.05466	56.1
177.12836	1.4
181.04890	7.0
181.08623	2.7
183.06541	2.2
187.14897	1.3
191.07002	3.1
195.06528	3.8
209.08026	16.3
241.08704	3.2
241.12602	6.9
241.19708	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
55.01873	3.7
55.05512	1.3
57.03459	1.4
59.05004	3.5
65.03943	1.6
67.05502	5.2
69.03420	9.0
69.07084	1.1
70.57305	1.5
71.04955	1.1
77.03934	1.8
79.05492	18.0
79.71700	1.0
81.03400	7.7
81.07053	3.0
83.04987	1.9
85.02901	3.7
87.04479	2.7
91.05490	6.0
93.03406	3.6
93.07049	4.7
95.04963	13.6
96.38036	1.0
97.02888	9.7
99.04452	3.6
103.05482	4.3
105.03433	1.2
105.04556	2.9
105.07020	1.9
107.04943	16.3
107.05653	1.3
109.02875	100.0
109.06518	6.2
109.10219	1.2
111.04456	3.4
111.08107	2.0
115.21002	1.0
116.91032	1.0
121.02885	4.4
121.06501	14.1
123.04404	8.1
125.02336	3.2
125.05988	1.8
127.03902	2.3
127.83382	1.1
131.04959	2.4
135.04419	3.1
137.05974	1.8
139.03911	10.5
139.07555	3.8
141.05470	3.1
149.02350	6.4
149.05962	18.8
149.07051	1.8
151.03909	12.1
153.05505	1.5
159.04440	1.4
163.07420	1.4
165.05482	35.8
167.03391	17.7
167.07051	10.1
177.05461	47.0
181.04968	15.2
181.06456	1.7
181.08466	1.7
183.06445	1.8
191.07089	1.3
195.06519	1.9
209.08105	11.3
220.32692	1.1
241.06947	2.2
251.57697	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.3
55.01868	1.5
55.05522	1.1
59.04993	3.2
63.90446	0.8
67.05505	4.6
69.03444	1.4
69.13048	5.3
70.47714	0.8
77.03938	2.0
79.05495	19.6
81.03419	2.0
81.07060	2.4
81.86190	0.9
87.04478	2.1
91.05459	4.9
93.07038	5.2
95.04971	8.7
97.02891	1.2
97.06535	1.2
103.05466	3.9
105.03397	1.4
105.04504	1.4
105.07000	1.2
106.83348	0.8
107.04951	13.0
107.08586	0.9
109.02879	100.0
109.06545	5.5
111.04462	1.5
111.08053	1.7
119.08617	1.1
121.06512	10.3
123.04430	7.7
125.02341	1.3
125.06009	1.2
131.04947	2.7
133.02826	1.2
135.04434	3.1
137.05992	2.7
137.09593	1.3
137.81926	0.8
139.03925	8.5
139.07542	4.2
141.05473	2.8
149.02332	2.3
149.05957	15.8
149.07040	1.2
151.03894	12.1
151.05042	1.3
153.39040	0.8
153.65724	0.8
163.07477	1.4
165.05475	34.1
166.05862	1.5
167.03380	5.1
167.07060	11.3
169.01057	0.8
177.05475	50.2
181.04999	5.2
181.08691	0.9
183.06543	2.0
191.07106	1.2
195.06482	1.6
209.08076	11.1
239.23044	1.0
241.05028	1.9
241.10645	1.1
241.14505	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01863	1.9
55.05508	2.3
59.04985	2.8
65.03928	2.8
67.05504	5.2
69.03432	2.5
69.24326	4.5
77.03923	1.2
79.05050	1.1
79.05495	18.0
81.03393	2.4
81.07047	3.0
83.04951	0.7
85.02892	2.3
85.06547	0.8
87.04463	2.1
91.05483	5.9
93.03389	3.5
93.07040	5.3
95.04962	13.7
95.08595	1.3
97.02881	3.3
97.06533	1.6
98.85705	0.8
99.04452	0.9
99.48402	0.8
100.11237	3.0
103.05448	3.7
105.04511	1.8
105.07001	1.7
107.04950	14.9
107.08570	1.0
109.02874	100.0
109.06520	6.7
109.39308	0.7
111.04406	0.9
111.08067	2.3
121.02888	4.3
121.06509	11.7
121.10181	2.0
122.34180	0.8
123.00790	1.4
123.04417	8.5
125.02350	1.6
125.06019	1.5
131.04951	1.9
133.02811	1.2
133.06546	0.8
133.10165	0.7
135.04398	5.0
137.05963	5.8
139.03882	9.4
139.07526	3.3
141.05492	3.1
142.12276	0.9
142.50601	0.7
145.10078	1.0
147.11661	1.1
149.02335	8.8
149.05974	15.5
151.03915	10.5
153.05464	1.2
158.90421	0.8
159.04539	1.0
159.14899	2.6
163.03893	1.5
163.07541	2.0
165.04060	1.5
165.05467	29.0
166.05820	0.8
167.03398	22.3
167.05740	1.0
167.07063	11.0
167.10602	1.1
173.51706	0.8
177.05472	46.0
181.04958	23.9
181.08525	0.9
183.06517	2.1
195.06485	2.6
209.04523	0.8
209.08090	8.0
223.05962	2.1
241.08716	1.4
241.19135	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	241.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68979	1.5
52.09008	1.6
53.03942	5.0
54.04089	1.6
55.01866	6.1
55.05510	3.8
57.07078	2.4
59.04998	6.5
60.02343	1.6
61.44193	1.6
65.03939	9.2
67.05502	13.7
69.03423	7.8
69.07056	5.2
71.01346	2.7
71.04988	9.4
71.45191	1.8
72.04508	3.4
77.03931	3.8
79.05495	40.0
81.03413	5.6
81.07055	12.3
83.04990	6.0
85.02884	2.1
85.06532	5.1
87.04494	3.0
88.53303	1.6
91.05458	9.3
93.03416	8.4
93.07047	12.6
94.04209	2.7
94.52761	1.7
95.04963	45.5
95.08610	5.3
97.02898	11.4
97.06537	3.9
98.97541	2.2
99.04422	2.0
103.05477	9.9
105.03374	3.5
105.04523	5.1
105.07027	5.6
107.04951	100.0
107.08578	5.2
109.02878	94.0
109.03642	3.6
109.06504	17.3
111.04430	9.4
111.08102	3.0
112.07578	2.2
113.06052	1.8
121.02851	15.1
121.06506	17.9
121.10155	9.2
122.03593	2.2
123.00799	7.5
123.04425	13.2
125.02390	6.1
125.06020	4.5
128.10716	9.1
131.04924	7.0
133.02866	2.5
135.04424	13.1
135.11664	3.4
137.05966	11.9
139.03893	47.9
139.07547	4.8
141.01781	2.4
142.61703	1.8
145.10121	3.8
149.02339	24.5
149.05977	18.1
151.03885	22.1
153.05467	6.4
153.06926	1.9
156.10210	12.1
157.04935	2.5
159.04407	2.2
163.03894	5.8
163.07503	2.7
163.11209	4.0
165.05470	51.5
167.03386	68.0
167.07034	6.2
168.13855	7.9
171.06604	3.3
177.05461	43.0
179.07047	12.5
181.04955	85.1
181.06346	3.7
181.12193	5.6
183.06577	3.7
191.07079	2.7
195.06532	4.4
196.13376	9.7
198.06723	2.2
205.12158	3.2
209.04483	3.8
209.08020	9.0
223.05994	9.3
223.13303	6.8
226.06169	1.9
241.08643	7.2
241.14388	5.2
241.19218	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	241.107
Annotation	Pyrenocine E
Peak:m/z	Relative Intensity
52.19117	1.7
53.03935	3.9
55.01875	3.9
55.05500	5.4
56.55327	1.7
57.03445	2.7
59.04995	7.2
61.27025	2.0
65.03938	6.5
67.05506	12.3
69.03422	18.0
69.07054	4.9
70.52493	2.7
71.01337	4.4
71.05003	9.3
77.03930	3.8
79.05500	39.2
81.03414	5.6
81.07053	13.3
83.04981	5.4
83.08617	2.7
85.02879	3.1
85.06540	4.1
86.09682	3.5
91.05470	10.4
93.03414	9.9
93.07063	13.6
94.04159	2.8
95.01332	3.0
95.04971	51.2
95.08601	5.9
95.87461	2.1
97.02895	17.0
97.06532	5.0
103.05460	8.2
105.03405	3.5
105.04516	5.2
105.07027	4.1
106.05755	2.0
107.04955	100.0
107.08591	4.6
108.19837	1.7
109.02881	84.1
109.06518	15.8
109.10162	3.3
109.74968	1.7
111.04425	11.1
111.08051	2.5
115.05463	2.1
119.08616	3.4
120.22761	1.8
121.02876	16.5
121.06493	18.1
121.10146	8.1
123.00800	7.0
123.04433	12.8
123.08073	2.3
125.02362	8.2
125.06001	2.8
125.69270	1.8
128.10712	6.7
131.04929	4.3
131.08563	2.7
133.02821	4.3
135.04413	15.4
135.08052	2.9
137.06000	16.9
139.03889	44.6
139.07574	4.2
141.05473	3.1
143.08530	2.0
145.10153	3.9
147.11702	2.1
149.02336	29.0
149.05997	20.0
151.03905	29.3
152.06239	2.2
153.05511	5.8
153.06984	2.4
155.03464	2.2
156.10210	8.6
157.04959	2.5
163.03923	7.8
163.07545	3.6
163.11168	4.7
165.05481	50.6
167.03400	68.5
167.07065	10.1
167.08311	1.9
168.13786	4.3
171.06529	3.6
177.05472	49.9
177.16167	1.9
179.07042	25.0
181.04968	76.2
181.06422	4.9
181.08347	4.2
181.12209	2.1
183.06494	4.2
195.06488	4.6
195.08109	3.0
196.13408	6.8
197.08073	3.0
209.04454	4.0
209.08160	10.7
209.11769	2.1
215.79399	1.8
223.05972	6.3
223.09767	2.6
223.13324	7.0
241.04893	2.2
241.08774	13.4
241.12227	3.5
241.14392	5.8
241.19144	3.4
264.32410	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	241.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01857	2.4
55.05297	0.7
55.05513	8.8
56.10434	0.8
57.03430	1.8
57.07059	1.1
59.04982	0.9
67.05505	11.6
68.55289	0.7
69.03424	1.1
69.07076	4.5
69.33240	3.0
71.04977	3.1
73.02919	1.9
79.05492	17.4
81.03397	2.4
81.07054	15.5
82.94539	0.7
83.04972	2.8
83.08616	7.0
84.12397	0.7
91.05466	4.2
93.06451	1.4
93.07038	25.0
95.04975	5.6
95.08607	30.3
97.02896	2.5
97.06503	2.4
98.97573	7.8
99.04441	2.5
100.93465	0.7
105.07028	4.6
107.04969	8.3
107.08590	18.2
109.06501	1.8
109.10112	1.7
111.04459	1.7
111.08089	1.3
112.07644	0.8
116.98620	4.7
117.06992	7.1
119.08582	7.1
121.06507	3.6
121.10143	9.1
125.05970	1.9
129.07014	0.8
130.07846	1.0
133.10143	2.0
134.99631	3.0
135.07991	1.3
135.11691	35.0
139.07500	2.0
145.10124	19.4
149.09560	1.0
153.12764	1.0
158.01207	1.5
160.24353	0.8
163.11179	50.5
173.09653	0.9
177.00702	1.0
181.12236	12.7
186.51912	0.7
191.01285	0.9
209.11714	2.2
227.12767	100.0
228.13138	1.4
258.99762	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98643	0.2
56.96566	11.7
58.06599	15.8
69.03427	0.8
70.06592	2.1
71.04981	0.4
71.43609	0.2
71.95266	0.6
72.08160	0.4
79.05490	0.3
81.03429	0.8
84.08144	8.6
85.02909	0.6
85.06530	0.3
91.05508	0.3
97.02891	0.9
98.06086	0.3
98.09679	1.3
98.97581	80.5
99.97898	0.5
100.11259	0.4
107.04943	0.5
109.48839	0.2
114.05502	0.4
114.09131	0.2
116.07077	0.5
116.98618	44.3
117.98908	0.3
119.01888	0.3
120.08109	3.3
121.06525	0.2
126.05512	0.3
126.09148	0.4
128.10715	3.1
134.62280	0.2
134.99652	14.6
135.04398	0.6
140.00191	0.8
144.10201	1.2
147.06271	0.6
149.05991	0.3
149.56883	0.3
152.04637	1.0
152.38643	0.2
153.00726	1.2
158.01219	0.8
164.10706	7.0
165.07368	0.3
167.06985	0.5
168.10176	1.2
174.97659	0.4
177.00735	0.6
178.08614	0.4
179.08957	0.9
192.10237	0.2
195.01723	0.3
196.09688	5.2
197.10036	0.4
209.09915	0.4
213.15871	0.3
216.98729	0.9
219.01950	0.5
223.11499	0.9
234.99704	0.8
236.73822	0.2
240.98572	1.5
241.12752	7.5
241.15437	100.0
242.13803	2.5
242.15852	0.9
258.99756	25.0
259.99884	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	9.3
57.03434	15.1
58.06598	2.8
59.04992	1.1
61.02922	6.7
66.61121	1.0
66.74117	0.9
69.03429	9.1
69.13706	3.8
69.14109	1.8
70.24682	1.0
71.01353	6.2
71.04986	4.4
73.02914	8.7
80.05010	3.3
81.03418	2.7
83.01347	3.0
84.08154	1.6
85.02906	60.0
85.39630	0.9
87.04456	9.7
89.02397	7.8
91.03953	5.6
97.02892	12.5
98.97589	1.5
99.04467	3.3
101.02381	22.5
103.03954	2.8
109.02896	4.0
111.00784	1.1
113.02374	2.0
115.03120	2.0
115.03931	37.5
119.01929	1.5
120.08083	9.0
127.03928	17.8
129.01833	19.8
131.03467	1.4
132.28429	0.9
133.05005	2.9
141.01862	1.2
143.03389	14.0
145.04959	37.2
145.06093	2.1
157.01320	35.9
159.02873	1.4
161.04449	9.6
163.06032	16.1
164.10718	19.0
171.02896	4.9
175.02437	1.3
189.03937	100.0
190.04410	1.3
196.09618	2.1
197.10104	1.0
207.05008	10.0
219.01874	1.2
224.07732	3.3
225.06120	2.3
225.09781	2.2
242.10292	4.1
242.13400	4.6
242.15836	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	243.1592
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
51.02339	1.2
53.03941	2.8
55.01875	4.5
55.05512	25.8
57.03428	4.7
57.07048	1.4
59.05006	17.3
61.02927	3.7
65.03952	1.7
67.05502	41.5
68.99809	2.6
69.03429	3.1
69.07064	18.0
70.95094	3.3
71.01342	2.5
71.04991	39.4
77.03930	1.4
79.05494	48.3
79.05952	3.0
81.03423	30.4
81.07059	58.7
83.04987	16.2
83.08618	11.9
85.02934	3.2
85.06535	13.4
87.04461	8.8
89.49583	1.3
91.05479	61.0
93.07043	32.9
95.04974	17.1
95.08610	24.6
97.06523	17.7
97.10158	2.9
99.04482	2.4
99.08081	3.4
101.06018	2.6
105.07030	36.4
107.04938	3.7
107.08594	35.0
109.06527	14.1
109.10167	3.6
111.04447	2.9
111.08094	9.1
113.06028	5.4
115.05463	1.9
117.07008	1.7
119.08578	23.7
119.20921	1.3
121.10150	29.7
123.08076	6.7
123.11732	3.5
125.05967	2.7
127.07587	2.7
129.07005	14.0
131.08565	30.0
133.06577	2.5
133.10130	32.1
135.08127	2.0
137.09630	2.6
140.01564	1.6
142.07805	4.0
147.08037	3.8
147.11679	46.8
149.09621	41.2
151.11154	1.8
157.10132	22.8
165.12811	8.2
167.10678	8.1
175.11163	29.0
175.12608	1.8
179.14410	2.4
181.12212	1.3
193.12219	32.6
197.15359	30.2
199.13293	7.5
207.13794	2.7
211.13283	27.6
225.14856	100.0
243.06580	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	245.0059
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86510	3.8
56.96571	30.8
68.98281	6.1
70.06560	4.7
70.99873	4.4
71.45094	4.4
82.99843	10.1
84.08086	5.2
85.02917	4.5
97.02879	10.7
98.97592	26.4
101.00880	74.5
104.10716	4.7
112.05077	8.2
113.00862	12.0
113.05380	3.9
115.02438	5.3
116.98618	13.7
119.01917	100.0
127.02428	6.7
131.01912	17.8
133.03484	5.6
134.99673	5.5
137.02986	7.8
139.02391	10.7
142.96565	5.6
143.01895	36.1
145.03448	28.9
147.01431	5.9
153.77747	4.5
155.01901	33.1
157.03456	29.4
161.02977	57.4
167.01901	19.8
170.96019	6.2
171.05009	8.2
173.02974	29.2
175.04504	13.0
179.01892	12.2
184.97569	9.4
185.02956	87.3
187.04515	9.7
188.97133	26.8
197.02969	29.7
198.09561	4.3
202.98674	9.0
203.04062	28.5
206.98112	8.8
215.04074	6.1
221.05089	13.9
227.04010	9.2
245.00690	5.8
245.05022	98.5
245.14981	15.8
263.06097	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	245.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74957	1.2
53.03956	1.4
53.94946	1.4
55.01873	1.6
55.05507	3.7
63.93592	1.4
65.03942	3.7
67.05495	4.0
69.07068	3.0
79.05511	3.8
80.15769	1.4
81.07050	5.1
83.08609	2.7
86.09720	2.6
88.07640	4.6
91.05480	100.0
93.07045	5.0
95.08607	5.4
105.07037	5.6
107.08578	4.1
109.10155	3.5
117.06981	2.9
119.08571	5.2
121.02866	3.1
121.10146	4.8
123.11628	1.4
129.06996	2.9
131.08516	2.2
133.10075	2.9
135.11703	2.2
141.28447	1.4
143.08568	3.2
145.10138	4.9
147.08110	2.1
147.11655	2.4
149.02335	2.1
153.06972	2.0
157.10155	3.7
157.69945	1.6
159.11725	2.9
161.09663	1.6
161.13196	1.5
163.14821	1.5
167.03406	22.2
171.11700	2.2
173.13187	1.6
175.14836	2.5
185.13277	2.9
186.18645	1.7
189.16362	2.9
189.23221	1.4
199.14842	2.3
199.95409	1.3
227.07069	14.6
227.14357	1.9
227.18015	1.6
244.22765	5.7
245.08090	4.1
245.15425	9.9
245.18991	4.6
245.22711	9.6
246.20680	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	245.0809
Annotation	CHEBI:69405
Peak:m/z	Relative Intensity
55.05521	2.6
58.20497	1.1
59.95465	1.2
65.03934	3.3
67.05483	1.2
69.07065	1.2
69.34270	2.5
69.34676	3.9
79.05509	1.3
81.07035	3.7
83.08614	2.8
91.05478	100.0
93.07050	2.2
95.08595	1.7
98.23486	1.3
105.07043	2.7
107.08573	2.7
119.05005	1.4
119.08593	3.1
121.10175	1.4
128.06206	1.6
129.07025	3.0
133.10130	1.9
143.08566	2.3
145.10136	1.8
147.11713	1.1
149.02339	4.6
152.06238	2.9
153.06978	6.4
157.10135	2.2
159.87523	1.2
161.09460	1.2
167.03436	2.5
195.12758	1.8
197.84445	1.1
199.14992	1.6
227.07013	23.4
244.22707	3.2
244.75064	1.1
245.08191	4.6
245.15424	4.1
245.19006	3.3
245.22809	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	245.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.01860	3.3
55.05507	3.7
57.04748	1.2
57.98096	1.2
67.05495	3.4
69.03422	6.3
69.07072	1.2
69.37873	5.7
70.12399	1.0
71.01346	8.0
71.04995	1.8
72.93797	1.2
74.13497	1.0
77.03900	2.5
79.05045	1.9
79.05492	33.4
81.03418	6.8
81.07059	11.2
83.01343	1.7
83.04974	4.8
85.02903	4.9
86.09706	5.1
90.94798	2.0
91.05484	35.1
93.03410	1.4
93.07047	29.9
95.04964	12.9
95.08609	2.3
97.02892	3.3
97.06531	2.1
98.54126	1.2
99.00829	2.6
101.02404	1.3
103.03960	1.9
103.05471	21.6
105.04497	5.1
105.07022	8.4
107.04247	2.1
107.04955	30.9
109.02895	4.8
109.06510	4.3
111.05554	1.5
115.03880	1.4
119.04940	6.0
121.06506	74.4
123.04429	1.7
125.05998	4.9
127.03906	1.4
131.04935	13.9
133.06511	6.1
135.04451	1.2
137.06006	3.0
138.26999	1.1
139.03854	1.9
139.07553	1.4
141.05435	3.5
142.03200	1.5
147.04346	5.4
149.05978	100.0
149.96082	1.5
151.07530	3.7
159.04436	14.1
163.07530	3.6
165.05487	2.1
167.05995	1.2
167.07082	13.1
167.97168	1.7
177.05476	53.0
179.06995	1.5
181.08591	4.8
191.07063	14.5
195.06514	36.2
199.12276	3.2
209.08092	21.3
213.07692	1.1
227.09146	15.3
227.11783	4.6
245.04416	1.6
245.10139	3.7
245.12898	2.8
245.15308	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1385
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
51.06805	3.5
55.01863	21.6
55.05512	4.6
67.05511	7.3
69.03413	5.3
69.07054	16.2
70.74110	3.6
71.04988	5.1
73.52681	3.4
78.29215	3.2
79.05485	14.0
81.07059	13.6
83.04993	3.7
85.06549	7.8
85.14428	3.2
91.05456	5.7
93.07040	23.7
95.04938	3.8
95.08589	16.4
97.06532	12.2
99.04455	6.7
105.07029	17.5
107.08587	47.0
109.06482	11.0
113.06032	4.8
119.08553	6.6
121.06522	10.8
121.10136	14.2
123.08038	6.8
135.11674	9.0
142.03214	9.7
145.10118	16.4
149.09622	8.7
151.07526	4.0
163.11188	33.1
167.10686	18.4
169.08603	100.0
170.02646	4.7
181.12234	23.3
185.11717	5.0
191.10683	10.3
209.11728	13.0
219.59962	3.4
227.12750	31.0
242.88756	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	245.1861
Annotation	Ile Ile
Peak:m/z	Relative Intensity
55.05514	0.3
69.07059	0.6
79.79136	0.2
81.07053	0.3
86.09704	100.0
87.10029	0.8
91.05417	0.2
93.67769	0.2
104.93687	0.2
108.40484	0.2
109.02921	0.3
120.91795	0.2
132.10199	3.0
142.03210	0.3
144.25813	0.2
188.59422	0.3
199.18082	1.7
245.04533	0.5
245.18597	6.8
264.66760	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	247.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
55.05517	0.6
56.96564	3.8
57.03431	1.0
58.06605	0.7
60.08150	1.3
69.03425	3.8
70.06586	1.3
70.82005	0.9
70.82352	0.6
70.98118	1.3
72.08143	3.0
81.03408	1.5
83.04967	0.6
84.04504	0.9
84.08202	0.6
85.02907	9.4
86.09692	1.6
93.28506	0.5
95.04966	0.5
97.02893	2.2
98.97584	1.4
98.98467	1.3
99.04480	0.8
100.07562	1.0
101.00883	5.4
101.60999	0.6
103.00632	1.8
104.10738	33.1
110.97617	0.7
111.04503	0.5
115.03880	0.5
116.98669	0.6
118.08652	4.3
119.01914	8.1
121.01682	2.6
123.04424	1.7
127.03944	3.4
128.98625	0.7
130.09799	1.3
131.01869	1.3
137.02959	1.6
138.09058	0.5
143.01912	1.4
144.98064	1.3
145.01614	0.6
145.03513	0.7
145.04942	0.9
147.03142	0.8
155.01917	0.6
157.03426	1.2
159.03145	0.9
161.01176	0.5
161.02946	2.5
163.02727	2.0
163.80884	0.5
167.03186	1.1
168.99820	1.0
169.01181	0.9
173.02975	0.6
175.02789	0.7
175.04530	0.9
177.00793	1.0
186.99277	0.6
187.00865	1.9
187.02672	2.0
205.00165	1.9
205.05573	0.8
215.00356	1.9
221.04984	0.7
223.01311	2.6
223.06644	0.7
229.03197	20.5
246.18111	1.0
247.04274	100.0
247.07890	30.8
248.04620	0.7
248.08208	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35897	0.2
63.02363	0.3
65.03924	0.3
67.05502	1.9
69.16676	1.1
73.57684	0.2
77.03938	0.3
79.05489	1.2
81.07056	0.3
85.02936	0.2
89.03918	5.9
91.05498	1.3
93.07042	1.0
95.04951	0.5
98.22671	0.3
107.04951	2.0
117.03377	9.8
117.39229	0.3
119.92590	0.2
123.04433	0.7
135.04414	17.9
137.05965	0.8
145.02844	13.2
155.08542	0.4
157.06436	0.2
161.05951	0.3
163.03896	100.0
164.04214	1.3
175.07559	0.4
180.06552	0.3
183.08055	0.4
186.05405	0.3
201.09067	1.5
211.07362	0.3
217.08662	0.3
220.76656	0.2
229.08632	0.4
247.09663	8.5
247.20949	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78893	15.7
99.42985	6.5
148.70863	6.0
156.27568	7.2
161.03078	6.9
249.03741	100.0
259.66733	6.4
263.98401	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	249.1123
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01869	0.5
55.05507	1.9
57.03402	0.5
57.07068	1.8
59.04998	0.8
59.69607	0.4
67.05502	4.0
69.03450	0.8
69.07050	2.3
71.08616	0.5
79.05480	2.1
81.03417	1.6
81.07054	7.0
83.08611	1.9
86.06053	0.7
91.05480	6.6
93.07040	2.0
95.04942	0.9
95.08608	9.2
97.02921	0.5
97.10150	1.3
98.23518	0.8
103.05463	0.7
105.07027	3.6
107.04962	2.2
107.08580	0.9
109.10159	5.9
111.11685	0.7
112.73075	0.4
115.05447	3.0
116.06234	2.7
116.22260	0.4
117.07021	2.1
119.04931	0.6
119.08562	1.1
121.06499	1.4
121.10110	0.8
123.04415	0.4
123.08025	0.5
123.11698	5.9
125.25667	0.4
128.06216	7.9
129.07007	16.1
130.07784	0.7
131.04893	1.3
131.08565	15.1
132.05724	0.5
133.06485	3.8
133.10101	1.4
136.81947	0.4
137.13275	1.0
138.04034	0.5
139.05434	0.6
141.06995	7.0
142.07771	3.8
143.08534	2.9
144.05698	7.1
145.06456	4.7
145.10146	0.6
146.07283	2.5
147.04378	0.9
147.08049	0.4
147.11685	0.7
152.06166	0.9
153.06987	1.8
155.06010	1.6
156.05692	1.7
157.06497	8.4
157.10164	0.5
158.07310	2.3
159.08054	21.6
160.05260	0.5
161.06020	2.8
161.09605	6.1
161.13315	0.5
167.07047	1.0
169.06456	1.0
169.07639	3.0
170.07268	6.7
171.04404	1.0
171.08047	4.4
171.09305	0.8
171.11575	0.4
172.05209	2.3
173.05978	3.3
174.06746	1.8
175.07544	2.5
177.05531	0.6
178.06262	0.7
184.05225	0.7
185.05957	0.8
185.13187	0.5
186.06757	0.7
187.07541	15.6
188.08200	1.0
189.05542	2.7
189.07391	0.7
189.09084	7.3
190.06201	1.0
191.07071	1.1
198.06801	2.1
199.07501	2.2
201.05524	1.3
203.07024	4.6
204.07817	9.8
205.08635	1.6
206.09369	1.1
216.07814	3.8
217.08595	1.0
218.09386	1.0
219.10187	2.2
221.08115	1.1
221.11685	3.3
231.10152	5.7
231.17305	0.5
234.08733	0.5
249.11215	100.0
249.18123	2.4
249.25751	1.4
250.11568	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	249.1123
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03939	0.4
55.01863	1.0
55.05500	1.5
56.44890	0.3
57.03432	0.8
57.07083	0.4
58.64043	0.4
59.02376	0.4
59.04994	1.5
65.03920	0.4
67.05508	2.9
68.05824	0.4
68.79700	0.4
69.03432	0.9
69.07066	1.2
69.46391	0.9
69.46783	0.7
70.62100	0.3
71.08627	0.8
75.01235	0.4
79.05501	5.4
81.03414	2.8
81.07063	3.9
83.08621	0.8
85.06573	0.4
91.04943	0.7
91.05482	9.5
93.07050	4.1
95.04965	3.1
95.08602	2.9
97.02882	0.7
97.06529	0.6
97.10201	0.4
98.23385	0.7
99.08105	0.6
103.05456	0.8
105.07026	4.4
107.04961	5.5
107.08582	2.9
109.06490	0.8
109.10153	1.5
115.05450	2.7
116.06263	2.2
117.07027	3.5
118.07796	0.5
119.04967	0.8
119.08598	3.0
121.06534	2.4
121.10091	2.1
123.04445	0.5
123.08067	0.4
123.11729	0.7
125.09635	0.4
128.06227	7.5
129.07005	18.7
130.07736	1.1
131.04936	1.6
131.08566	16.0
132.05707	1.1
133.06487	3.8
133.10110	2.7
135.08064	0.9
135.11722	0.8
137.05981	0.5
137.09633	0.9
141.06990	6.8
142.07799	3.9
143.04903	0.6
143.08568	3.9
144.05708	7.1
145.06490	5.1
145.10139	0.9
146.07277	3.1
147.04399	1.0
147.08057	1.3
147.11691	1.2
148.61075	0.4
149.09599	0.5
152.06271	0.9
153.06996	1.9
155.06038	1.6
156.05705	1.8
157.06488	7.6
157.10075	0.5
158.07254	1.6
159.08051	21.7
159.11644	0.8
160.05219	1.1
160.08437	0.4
161.05959	3.1
161.09625	5.6
161.13315	0.6
167.07056	0.7
168.05684	0.6
169.06412	1.2
169.07639	3.6
170.07272	6.9
171.04390	1.2
171.08029	4.7
172.05127	2.7
173.05943	3.5
174.06726	2.3
175.07533	2.4
175.14857	0.5
179.07039	0.4
184.05270	0.5
185.05936	1.2
185.13275	0.9
186.06696	1.1
187.07545	16.1
188.08258	1.4
189.05499	3.2
189.09113	7.5
189.16293	0.7
190.06213	1.2
191.07030	1.4
192.07722	0.5
193.08635	0.6
198.06789	1.4
199.07523	3.0
201.05446	1.4
203.07027	5.9
203.14357	0.8
203.17909	0.6
204.07808	10.6
205.08600	2.0
206.09358	1.0
213.12712	1.1
216.07828	3.2
217.08591	1.0
218.09398	1.0
219.10124	2.0
221.08029	0.7
221.11702	2.7
231.10170	5.6
231.13763	2.0
231.17433	0.8
234.06789	0.4
234.08856	1.1
249.11215	100.0
249.14767	6.4
249.18233	3.6
250.11543	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1486
Annotation	[R-(E)]-6-(4-Formyl-3-cyclohexen-1-yl)-2-methyl-2,6-heptadienoic acid
Peak:m/z	Relative Intensity
51.02378	0.9
53.03941	4.3
55.01873	5.7
55.05515	8.1
57.03438	1.0
57.07068	0.7
59.05002	1.5
65.03934	1.4
67.05505	20.7
69.03425	0.8
69.07063	6.4
69.26127	2.0
69.26532	1.3
71.01347	1.0
71.04991	4.0
73.06570	0.7
74.57505	0.5
77.03918	3.9
79.05490	62.3
80.05836	0.8
81.03414	42.7
81.07053	15.8
83.04978	3.7
83.08628	2.8
85.02901	1.2
85.06541	2.2
91.05476	29.7
93.07041	26.8
95.04968	17.9
95.08597	11.6
97.02889	0.8
97.06527	2.6
97.10161	0.8
98.23438	1.1
99.08057	0.7
103.05459	5.0
104.99232	0.7
105.04510	6.4
105.07019	15.9
106.07352	0.6
107.04951	100.0
107.08583	11.1
108.05280	0.7
109.06508	3.6
109.10151	3.6
111.04435	1.3
111.08070	1.2
115.05472	1.9
117.07014	11.9
119.04932	4.8
119.08575	9.8
120.05688	0.6
121.06505	20.2
121.10133	7.1
123.04400	1.1
123.08052	1.6
123.11736	0.8
125.09629	0.6
128.06216	2.1
129.07004	11.0
131.04936	2.6
131.08565	7.1
133.06479	10.9
133.10103	4.4
135.08058	5.7
135.11687	2.9
137.05989	1.7
137.09630	1.4
141.07011	1.1
142.07790	1.1
143.08565	7.0
145.06464	2.1
145.07553	0.6
145.10126	3.8
147.08038	7.1
147.11617	2.7
149.05963	0.7
149.09613	3.0
149.13240	0.6
154.07719	0.8
157.06508	1.3
157.10127	3.0
159.08047	0.7
159.11691	2.2
161.09637	2.0
161.13208	3.2
163.11194	4.0
167.08572	1.3
169.10100	3.0
171.08051	1.6
171.11681	3.8
175.11240	1.3
175.14835	2.2
181.12292	1.0
185.09627	1.1
185.13249	8.8
187.11192	1.7
189.12857	0.7
195.11671	3.1
203.14299	7.3
205.12270	1.1
213.12740	6.3
221.15306	2.0
231.13809	12.4
249.14859	38.3
249.18350	2.4
249.25027	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1848
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03941	1.1
55.01863	9.2
55.05511	8.9
55.99932	0.6
57.03411	0.6
57.07072	2.6
59.04995	2.4
67.05502	10.0
67.71240	0.5
69.03426	1.3
69.07065	8.9
71.05010	0.6
71.08620	1.2
79.05486	10.2
81.07054	37.1
83.04991	3.4
83.08621	2.7
83.42221	0.7
85.93372	0.6
91.05484	6.0
93.07047	8.9
95.04979	1.5
95.08607	11.7
97.06535	1.7
97.10159	1.0
101.09767	0.6
104.99265	1.0
105.07040	7.9
107.04942	0.7
107.08589	8.6
109.06516	14.3
109.10157	6.1
111.04439	17.1
111.08086	1.9
113.06006	0.7
117.07025	1.4
119.08581	8.6
121.06452	1.2
121.10150	9.4
123.08078	4.1
123.11703	4.1
125.05976	5.2
129.06996	1.1
131.08575	2.2
133.10129	9.2
135.08037	7.8
135.11685	5.7
137.05974	100.0
137.09589	1.6
137.13235	3.9
138.06358	0.7
139.07555	1.0
142.07776	1.2
143.08559	2.3
145.10132	2.4
146.07257	1.2
147.08018	3.1
147.10553	1.2
147.11673	11.2
149.09578	4.7
149.13242	3.5
151.07535	3.2
151.11192	2.0
157.10138	3.3
159.11687	1.8
160.08849	1.0
161.09619	14.9
161.13252	4.5
162.10088	0.8
163.11177	4.8
163.14801	2.9
165.09131	3.3
165.12752	1.3
167.10652	1.7
169.23163	0.6
170.97867	0.6
171.11691	1.8
171.75656	0.6
175.11171	10.4
175.14775	3.7
177.12674	1.3
179.10707	3.5
179.14236	0.8
181.12285	0.7
185.13120	0.7
189.12749	2.3
193.12262	2.9
193.15852	0.6
198.44209	0.5
203.14279	1.3
203.17937	16.8
205.19475	2.6
213.16380	5.0
221.19020	4.4
231.17445	18.3
249.15891	1.0
249.18481	19.8
250.18800	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1851
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
55.01874	2.3
55.05264	1.6
55.05513	21.7
57.07069	3.7
59.04996	7.1
64.77837	1.7
65.03908	2.0
67.05504	33.8
69.07071	21.3
69.18951	7.3
71.04989	4.7
73.06535	2.7
77.03918	3.2
79.05495	79.9
81.07056	43.1
83.04967	2.2
83.08617	9.3
85.06523	2.3
90.97721	2.0
91.04942	3.2
91.05480	46.8
93.07045	100.0
95.04449	2.0
95.04967	12.2
95.08610	29.1
97.06524	3.0
98.23474	3.3
104.99273	4.8
105.04507	3.4
105.07029	32.6
106.56804	1.6
107.04955	3.0
107.08591	49.4
109.06505	4.3
109.10170	10.3
110.70636	1.5
111.08065	1.5
117.07005	5.1
119.08571	25.1
121.06517	2.5
121.10149	47.1
123.08078	4.7
129.06995	4.2
131.08571	9.9
133.10136	27.2
135.08054	2.4
135.11691	35.7
137.09627	1.7
143.08540	4.0
145.10147	5.7
147.08092	2.3
147.11682	22.8
149.09627	3.1
149.13254	9.7
157.10133	5.4
159.11646	3.8
161.09625	3.6
161.13339	2.0
167.26106	1.9
171.11629	8.6
175.11159	4.3
185.13223	2.1
187.14824	3.1
189.12782	3.3
189.16356	7.0
193.12248	3.1
203.14261	2.7
203.17929	4.1
207.13850	4.8
213.16344	6.2
216.09247	1.7
231.17320	10.3
249.14703	3.3
249.18507	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1075
Annotation	Semecarpifoline
Peak:m/z	Relative Intensity
50.63998	0.3
69.50560	0.7
69.50954	0.6
72.60999	0.3
74.08733	0.3
96.06522	0.3
98.22751	0.6
98.98466	3.5
103.05428	0.4
114.10262	0.3
118.06539	17.5
124.22120	0.3
130.06488	0.9
136.06142	0.4
138.09122	0.4
146.06000	10.1
148.07599	1.3
150.09210	0.3
161.08305	0.3
162.09137	25.0
162.33679	0.3
163.09534	0.3
169.97690	0.3
174.05511	2.4
174.09160	0.6
176.07089	1.3
176.10629	0.3
178.08627	0.6
184.92653	0.3
190.08620	7.8
192.10201	2.6
206.08125	5.0
218.08121	6.7
220.09708	2.7
222.11197	0.9
232.09766	0.6
250.10732	100.0
251.11111	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1279
Annotation	Lachnumfuran A
Peak:m/z	Relative Intensity
50.49211	1.1
51.09166	1.1
53.03937	1.7
55.01864	6.7
55.05515	5.9
57.03431	1.3
57.07049	1.4
59.05001	2.9
61.02911	1.6
61.45985	1.0
65.03940	1.2
67.05508	15.5
68.89906	1.0
69.03433	6.8
69.07081	6.6
69.36912	6.1
70.05934	1.0
71.04984	8.1
77.03934	1.9
79.05491	20.3
81.03410	4.7
81.07059	30.6
83.04968	3.6
83.08614	2.7
85.06541	15.0
91.05475	17.5
93.06448	2.0
93.07043	40.7
95.04970	22.4
95.08604	10.4
97.06539	15.3
98.98466	100.0
99.04458	5.1
100.19952	1.2
103.05489	2.1
105.04514	2.5
105.06348	2.4
105.07030	36.2
105.07740	2.3
107.04959	8.8
107.08600	12.0
109.06516	30.4
111.08086	9.5
113.06023	1.5
115.05472	3.2
116.99504	1.9
117.07012	8.7
119.04932	8.8
119.08596	12.8
121.06508	30.9
121.10103	3.0
123.04448	1.8
123.08047	4.3
125.05969	3.1
127.07566	8.2
129.07007	6.2
130.07800	2.3
131.04875	2.5
131.08565	16.5
133.06517	9.2
133.10126	4.8
135.04378	1.3
135.08069	3.6
135.11674	3.3
136.37271	1.1
137.05977	7.7
139.07542	22.7
141.06972	3.3
143.06975	1.7
143.08569	4.4
144.05707	1.6
144.09323	3.2
145.06494	8.8
145.10118	42.5
147.08041	2.1
147.11678	4.5
149.05956	1.4
149.09480	1.1
150.05522	2.7
151.07576	2.9
152.07047	3.1
152.24422	1.2
154.07779	5.6
155.08536	2.6
157.08621	12.5
157.09956	1.6
158.07289	4.8
159.08060	4.2
159.11685	24.5
161.06013	2.3
161.08307	1.2
161.09605	2.2
163.11180	14.7
167.08537	1.8
169.10088	10.7
171.11731	1.7
172.08867	3.0
173.05910	2.4
173.09605	13.5
173.13144	1.4
174.99242	5.1
176.07100	1.6
177.12752	4.8
179.08522	4.4
182.07158	2.6
184.09727	2.6
187.11185	43.8
189.12698	2.2
191.07037	1.6
191.10643	10.0
193.08539	2.0
197.09598	15.5
205.08620	2.9
205.12245	17.5
208.09718	3.6
209.10454	2.7
215.10661	47.1
220.09720	6.4
220.13367	1.1
233.08069	1.8
233.11710	18.9
233.15329	1.7
233.18970	1.9
251.07014	2.7
251.10616	1.7
251.12671	16.3
251.16302	2.1
251.20093	1.8
252.12384	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	251.1642
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
50.98468	0.8
53.03941	5.2
54.40067	0.8
54.60526	0.9
55.01872	3.6
55.05512	11.5
56.96564	0.9
57.03433	2.3
57.07051	0.9
59.04997	2.1
60.41787	0.8
65.03941	5.0
67.05505	53.3
69.03440	2.4
69.07069	12.3
71.04990	4.4
71.45274	0.9
73.06559	0.8
77.03904	1.4
79.05492	36.0
81.03417	64.6
81.07057	55.6
83.04982	6.7
83.08620	6.2
85.06535	3.0
87.04470	1.1
91.05480	32.3
93.06461	1.0
93.07045	27.1
95.04967	94.4
95.08608	26.4
96.05295	1.2
97.06546	5.7
98.98466	100.0
99.08127	1.2
101.05989	0.8
103.05466	2.9
105.04515	3.1
105.07029	29.7
107.04964	5.9
107.08593	15.5
108.05302	1.4
109.06511	18.3
109.10136	7.0
111.08061	1.1
114.86338	0.9
115.05452	1.6
116.85147	1.0
116.99511	2.0
117.07026	12.2
119.08578	21.4
121.06506	20.5
121.07319	1.6
121.10150	11.1
123.04418	5.2
123.08067	8.9
123.11710	6.1
125.09660	1.3
129.07001	5.3
131.08566	29.4
133.06482	2.7
133.10141	6.4
135.08063	10.5
137.09605	3.3
141.06993	2.1
143.08588	2.3
145.06514	1.8
145.10121	12.9
147.08047	3.7
147.11685	10.8
149.09557	4.2
149.13281	2.1
155.08540	4.0
159.08075	1.3
159.11696	4.5
161.09671	1.0
161.13232	2.0
165.12798	2.0
169.10167	4.4
171.11679	8.7
173.09718	1.0
173.13297	5.3
174.99257	4.4
185.13310	1.2
187.11307	1.3
187.14815	15.5
189.12843	1.1
197.13254	7.0
205.15967	5.2
207.13837	1.0
215.14317	11.0
223.22591	0.8
233.15366	35.6
251.12558	2.5
251.16359	25.4
269.10675	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	252.1232
Annotation	3097C2
Peak:m/z	Relative Intensity
69.49474	0.4
69.49876	0.6
73.24611	0.2
87.04447	0.3
90.18221	0.2
91.05467	0.3
98.98457	3.4
106.04964	0.2
110.06013	0.3
113.17372	0.2
118.06540	0.6
119.07323	0.7
120.08102	34.1
121.08440	0.5
146.09659	1.9
147.10439	1.9
150.09137	0.4
167.50639	0.2
192.10185	100.0
193.10553	1.8
195.39153	0.2
210.11398	0.2
216.09897	0.2
220.09703	1.6
252.12300	36.8
252.28297	0.2
253.12579	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1233
Annotation	Ac-Tyr-OEt
Peak:m/z	Relative Intensity
56.18394	0.5
56.25274	0.6
68.20801	0.6
69.19227	3.8
79.05486	2.1
81.03427	1.1
81.07066	1.4
82.03730	0.8
91.05471	1.1
95.04948	0.7
95.08600	0.6
98.98472	13.8
105.07029	0.6
106.06575	1.1
107.04923	3.1
119.25159	0.6
120.08112	1.7
122.06028	1.0
124.07618	0.8
132.03386	0.7
132.08099	1.0
134.06029	3.1
137.04680	1.1
138.05492	2.9
149.06026	0.9
150.05551	3.4
150.07956	0.5
150.09134	10.2
151.03798	1.0
151.09927	3.9
152.07069	1.9
160.07584	0.7
164.07065	18.9
165.05481	2.5
165.07927	3.3
166.08638	14.0
176.07094	1.0
178.08638	4.8
179.06873	0.6
179.09399	0.8
181.07298	4.3
182.08095	5.8
183.08913	1.5
184.09673	1.2
192.10181	1.3
194.08052	1.0
195.08829	0.9
199.89182	0.8
208.09691	93.6
209.10468	100.0
210.11243	57.7
210.13301	1.5
211.11638	0.8
213.06296	3.1
213.85071	0.7
220.09692	4.1
223.50096	0.6
229.07539	1.4
252.12311	60.1
253.12669	1.0
265.75476	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13799	0.6
53.03944	2.8
55.01870	1.6
55.05511	11.4
57.03437	5.1
58.25916	0.6
59.27715	0.6
61.02930	8.0
69.03430	18.5
69.62458	2.4
69.62825	0.8
70.60080	0.5
71.01357	0.8
71.04991	2.8
73.02917	3.9
73.06557	60.5
81.03423	6.4
81.53827	0.7
85.02906	100.0
87.04470	2.7
91.03960	4.2
97.02892	23.6
98.98471	24.7
99.04453	3.4
103.03938	1.1
109.02880	9.2
115.03961	1.1
120.08125	3.8
127.03910	18.0
145.04955	22.3
163.06042	3.8
181.30328	0.6
195.11310	0.7
221.75641	0.7
222.11226	0.8
253.12537	0.8
254.13885	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1433
Annotation	Fascicularone A
Peak:m/z	Relative Intensity
53.03939	2.1
55.01865	6.5
55.05508	8.3
57.07069	1.6
59.05019	1.8
67.05499	12.6
69.03444	3.9
69.07059	7.9
69.18923	4.4
69.19331	4.5
71.04995	7.6
77.03899	1.6
79.05487	24.8
81.07054	49.9
83.04980	6.5
83.08620	3.8
83.42522	1.6
85.02899	1.7
85.06516	7.8
91.05483	19.8
93.06446	2.5
93.07038	54.9
95.04956	12.2
95.08610	23.3
97.06505	14.4
98.98466	83.0
99.04448	10.7
101.06029	3.2
105.04518	2.1
105.07027	32.4
107.04947	4.3
107.08596	23.3
109.06515	25.4
109.10143	5.0
111.08051	5.6
113.06022	2.3
114.29502	1.5
117.06980	3.8
119.04979	1.7
119.06107	1.7
119.08584	20.8
121.06504	70.1
121.10143	6.6
123.04459	2.4
123.08057	5.3
123.11728	3.6
123.59301	1.6
125.05979	3.5
125.09608	1.8
127.07527	13.7
128.06236	1.8
129.07004	6.9
131.08551	5.2
133.06497	3.4
133.10115	10.8
135.04404	5.6
135.08047	14.9
135.11679	3.0
137.05980	4.4
137.09612	2.8
139.07520	21.3
141.05417	1.9
141.06987	1.8
142.07785	5.2
143.06990	3.9
143.08603	9.7
145.10149	6.8
147.08025	4.5
147.11678	29.4
148.67923	1.6
149.13150	1.9
151.03922	3.9
151.07538	2.4
151.11269	1.5
153.07373	2.5
155.08560	1.5
156.09338	2.9
157.06483	2.2
157.10141	18.9
159.08066	2.4
161.09605	2.2
161.13240	9.6
165.05510	9.0
165.06784	2.4
165.12758	13.0
166.07733	2.9
171.11679	18.8
173.09624	4.8
174.99252	2.0
175.11188	24.3
176.98982	2.6
177.07379	1.9
179.06975	6.8
181.10159	5.6
182.07030	1.7
183.08449	4.0
189.12726	22.8
193.06529	2.9
193.12225	18.2
199.11177	31.1
207.13800	12.9
210.06729	2.6
214.55954	1.8
217.12228	85.0
218.12491	2.0
221.06010	1.5
221.10063	8.7
229.14503	1.8
235.13286	55.7
253.08696	7.4
253.14177	100.0
253.21512	2.8
254.14584	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1435
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
51.02376	0.5
53.03945	1.3
55.01867	4.2
55.05508	5.1
57.03444	0.4
65.03934	1.4
67.05505	12.2
69.03426	3.8
69.07069	6.2
69.51243	1.8
71.01359	0.9
71.04996	7.6
77.03923	1.9
79.05491	22.0
79.71500	0.4
80.35710	0.4
81.03426	1.0
81.07054	44.1
83.04984	5.2
83.08620	3.1
85.02895	0.6
85.06539	5.0
86.00642	0.5
91.05476	14.1
93.07043	39.9
94.07353	0.6
95.04966	15.4
95.08603	18.9
97.02906	0.6
97.06530	13.3
98.98466	11.4
99.04455	8.4
99.08109	0.7
101.06041	0.6
103.05461	1.2
104.96086	0.5
105.04509	1.8
105.07027	24.4
107.04943	7.1
107.08593	18.1
109.06515	34.0
109.10149	3.3
111.04446	0.9
111.08073	4.6
113.05997	4.5
115.05434	0.6
117.07005	2.3
119.04952	1.8
119.05908	0.5
119.08582	17.9
121.06503	100.0
121.10106	3.5
122.06807	0.7
123.04432	4.9
123.08062	4.2
123.11689	1.0
125.05972	4.9
125.09641	0.7
127.07548	9.6
128.06210	1.8
129.07010	5.1
131.08548	4.9
133.06494	3.9
133.10133	7.7
135.04427	6.3
135.08038	9.1
135.11671	1.4
137.05995	3.3
137.09608	0.9
139.07535	18.8
141.05464	2.1
141.06969	1.0
142.07776	3.6
143.07028	1.2
143.08562	8.0
145.06511	1.1
145.10133	5.9
147.08051	4.0
147.11681	25.8
149.09616	1.5
149.13281	0.7
151.07530	1.4
151.11177	0.6
153.07007	0.7
153.09145	0.6
155.08543	1.3
156.09343	4.0
157.06476	1.5
157.08650	1.6
157.10107	13.5
158.07297	1.4
159.06589	1.0
159.08058	1.7
159.11621	0.6
160.08777	1.1
161.05992	1.9
161.09618	1.5
161.13254	13.3
163.11206	1.0
163.14853	1.5
165.07008	1.9
165.09187	0.5
165.12766	3.9
166.07799	4.9
171.08052	1.3
171.11676	15.1
173.09598	2.8
173.13257	1.7
175.07700	0.7
175.11189	17.8
179.14275	0.8
181.10124	5.8
183.03041	0.6
184.08797	3.0
189.12735	26.0
191.10704	1.4
193.12231	15.9
197.09581	0.6
199.11177	31.2
207.13808	11.6
209.11798	0.5
211.13274	1.8
217.12230	83.9
218.12567	1.5
221.06007	0.6
235.13277	39.4
236.13666	0.7
239.63979	0.5
253.08751	0.9
253.14336	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	253.1799
Annotation	Trichodiol A
Peak:m/z	Relative Intensity
55.01861	1.7
55.05515	6.3
60.10115	1.6
67.05500	16.9
69.03430	100.0
69.07068	7.0
69.61874	4.0
71.04968	2.1
73.06550	2.2
79.05502	12.8
81.03408	1.8
81.06623	2.0
81.07060	23.9
82.35979	1.2
83.04990	2.6
83.08617	5.0
85.06533	2.8
91.05481	17.7
93.07044	14.2
95.04974	4.4
95.08614	15.3
95.77227	1.1
97.06526	6.3
97.10178	3.6
98.98469	81.7
99.08073	1.8
105.03378	2.3
105.07013	10.4
105.36172	1.3
107.08595	11.7
109.06506	3.0
109.10157	6.8
111.04397	1.1
111.08072	2.3
116.99516	2.2
117.07018	1.6
119.08582	9.1
121.10172	10.4
123.08057	5.3
123.11676	2.6
131.08566	4.5
133.10136	21.5
135.11671	3.1
137.09612	2.9
139.11200	1.2
146.76112	1.2
147.11658	4.6
149.09601	1.9
149.13286	1.9
151.11180	5.1
157.10165	3.4
159.11560	1.4
161.13322	1.7
165.12781	1.6
173.13347	1.7
175.11201	1.4
175.14693	1.8
176.99010	1.6
189.16391	3.5
193.12268	1.3
199.14917	2.0
207.17448	4.2
217.15833	4.3
217.19415	1.3
235.16933	32.1
253.14029	1.5
253.18210	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	253.1798
Annotation	Cheimonophyllon C
Peak:m/z	Relative Intensity
50.41627	1.2
55.01868	2.0
55.05516	5.0
56.09315	1.4
57.07054	2.2
62.25099	1.3
65.03931	1.3
67.05498	18.0
69.03429	100.0
69.07072	7.9
71.04989	1.9
72.17475	1.2
73.01595	1.3
73.06577	2.0
79.05499	13.6
81.07057	18.8
83.04986	4.3
83.08630	3.1
85.02914	1.5
85.06540	2.7
91.05473	18.2
93.07052	15.5
95.04963	3.3
95.08605	12.7
97.06518	6.7
97.10159	2.1
98.98466	76.6
100.98885	2.1
105.07037	11.4
107.08584	9.1
109.06494	3.4
109.10168	8.0
109.66355	1.3
111.08089	1.8
116.99533	2.1
117.07025	4.2
119.08562	9.5
121.06514	2.6
121.10159	11.0
123.08041	7.6
123.11711	4.1
125.05993	4.4
131.08560	6.4
133.10136	23.5
135.11676	1.8
137.09628	3.0
147.08040	1.6
147.11702	6.2
149.09627	2.5
149.13243	2.7
151.11186	4.3
157.10097	3.3
174.99219	1.7
175.11255	1.7
176.98970	2.6
189.16449	3.7
193.12276	2.5
193.15883	1.7
199.14815	4.1
207.17482	3.1
217.15906	4.2
221.15358	1.7
235.16933	35.1
253.11629	1.5
253.18021	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	254.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01793	1.3
61.02917	4.6
70.08732	1.4
70.72840	2.2
71.01353	8.5
75.04484	15.0
82.50338	1.2
84.33909	1.4
87.04453	4.4
88.73965	1.2
89.02416	2.3
98.98462	2.1
103.03928	18.5
118.06528	8.5
131.03377	4.4
146.06010	4.2
159.02888	40.5
162.09135	6.1
167.60249	1.3
178.08609	14.6
187.02367	4.8
190.08618	3.2
191.07141	1.4
219.04991	100.0
220.05243	1.5
222.09196	2.4
222.11243	26.0
230.08180	1.3
246.01218	1.3
254.13855	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	254.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33713	0.4
61.02931	3.1
71.01349	3.2
71.04976	0.7
71.53750	0.5
75.04472	6.1
79.05504	0.6
87.04469	1.6
89.02384	0.9
91.05519	0.6
98.98463	2.3
103.03950	7.2
112.99548	0.6
118.06539	20.9
118.14953	0.5
119.07331	1.2
120.08071	1.4
122.85956	0.5
131.03371	2.4
136.07562	0.7
146.06017	9.7
150.09137	0.6
159.02890	23.5
162.09132	16.4
163.09857	0.6
164.10712	0.5
165.11548	0.9
178.08633	25.3
180.10144	3.4
187.02386	1.1
190.08626	5.6
190.44760	0.4
192.06528	0.9
193.83789	0.5
196.09799	0.7
204.06509	1.8
204.10168	0.7
208.13324	0.9
210.11273	0.9
219.04993	48.8
220.05394	0.6
222.07689	1.5
222.11243	56.9
223.11595	0.9
224.05615	0.6
224.09184	2.1
236.09117	3.2
254.10292	13.1
254.13869	100.0
255.14240	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	254.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78511	1.3
61.02921	7.1
69.41538	5.2
71.01352	7.3
75.04163	1.5
75.04485	18.9
78.84937	1.2
80.63166	1.4
82.26363	1.4
86.82831	1.4
87.04453	6.2
87.39016	1.6
89.02412	3.7
98.93712	1.4
98.98448	1.8
99.75668	1.4
103.03946	21.0
104.48956	1.6
118.06535	19.5
119.07388	1.4
131.03391	6.0
146.05988	9.2
155.82404	1.4
159.02898	56.6
162.09134	14.0
178.08643	25.3
180.10278	1.4
187.02347	2.9
190.08583	3.3
192.13348	1.3
219.04997	100.0
222.11253	42.5
222.13069	1.6
254.13878	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	254.1024
Annotation	1-Acetyl-N-salicyloyl-2-aminopropan-3-ol
Peak:m/z	Relative Intensity
61.02905	0.3
70.55548	0.4
71.01324	0.2
77.61327	0.2
79.05456	0.3
81.68550	0.2
89.77356	0.2
91.05473	0.4
92.80246	0.3
98.98446	0.5
103.03916	0.7
103.05447	0.6
106.06548	0.9
117.05763	1.1
118.06550	1.9
119.04940	0.4
120.08086	1.0
130.06528	7.3
131.07286	0.8
132.08078	0.8
146.05966	0.7
148.07584	1.0
159.02876	1.7
162.09154	0.9
164.06934	0.3
166.08684	0.6
176.07063	7.3
177.07492	0.3
178.08641	2.3
180.06569	0.8
180.10199	0.6
181.07310	0.4
190.08627	0.3
191.09384	1.4
194.08138	1.7
198.21744	0.2
204.06557	16.4
209.10461	0.6
210.07607	0.4
218.08044	0.3
219.04991	4.0
222.07620	8.1
222.11107	2.9
224.05539	1.8
224.09149	0.4
236.09167	32.4
237.09485	0.6
238.07188	0.9
239.07848	1.7
254.10229	100.0
254.13792	6.8
255.10535	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1388
Annotation	Tuberostemospironine
Peak:m/z	Relative Intensity
70.51607	0.6
91.05465	1.5
96.37839	0.3
97.46796	0.3
98.98473	0.3
106.75647	0.3
111.08673	0.3
113.93331	0.3
117.05766	1.2
117.98849	0.3
118.06531	6.4
130.94162	0.3
134.09650	1.0
139.20462	0.3
146.06007	22.7
152.07114	0.5
162.09105	0.5
164.07076	0.4
164.10806	0.5
165.11455	0.8
178.08626	34.4
179.09015	0.5
180.06578	1.2
180.10121	0.5
190.08597	3.5
196.09778	0.4
204.10089	0.4
207.08942	0.8
208.09705	1.1
209.10483	0.8
210.11337	1.7
222.11246	44.3
223.11786	1.4
224.09175	3.8
224.12820	1.4
254.13863	100.0
255.14195	2.2
268.82529	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0863
Annotation	Sporovexin B
Peak:m/z	Relative Intensity
51.02384	0.8
53.03934	3.1
55.01869	4.6
55.05499	1.7
63.24051	0.8
65.03942	7.6
67.05503	5.7
69.03423	4.8
69.61517	2.0
69.61903	1.8
71.04980	2.9
74.65266	0.7
77.03922	5.8
79.05485	10.2
81.03408	2.7
81.07070	2.0
91.05478	17.3
93.03406	7.2
93.07043	13.9
95.04967	100.0
95.08627	1.2
97.02892	6.8
97.06533	2.4
98.98457	4.9
99.04481	0.9
103.05476	5.1
105.03410	1.7
105.04516	5.6
105.07017	9.5
107.04950	34.3
107.08593	3.4
109.02865	1.2
109.06458	4.4
111.04448	4.8
113.06037	0.9
115.05440	6.5
117.07022	23.5
119.04906	1.5
119.08592	5.6
121.02869	27.2
121.03818	1.8
121.06493	16.5
123.04430	41.7
123.08033	1.9
125.02350	14.3
125.06015	1.1
127.05446	0.7
128.06227	1.5
129.07007	5.4
131.04926	6.9
132.05748	1.3
133.02835	4.3
133.06497	1.8
135.04411	3.8
135.08051	7.7
137.05948	1.2
139.03883	6.1
145.06493	21.2
147.04404	3.3
147.08052	6.3
149.02316	6.6
149.05971	16.9
151.03900	47.0
151.07474	1.1
153.05470	3.3
155.04933	1.1
155.06007	3.9
157.06535	1.3
159.04382	4.4
161.05911	1.2
163.07541	14.0
165.09174	1.7
167.03398	26.0
167.06998	2.2
169.04962	4.2
173.05981	15.8
175.03934	5.9
175.07556	5.0
177.05438	9.8
181.04852	1.5
185.04449	63.3
191.05290	1.7
191.07030	32.3
193.08528	2.3
195.06551	2.5
201.05434	4.2
204.10918	0.9
209.08075	2.9
214.26402	0.9
219.06541	13.5
237.07552	12.6
255.08621	32.2
263.86377	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.01844	0.4
55.05483	0.5
65.03934	5.6
67.05488	1.1
69.03426	0.6
71.04983	0.6
71.09704	0.5
75.04469	3.1
77.03900	0.7
77.72997	0.4
79.05489	3.7
81.07040	1.7
83.04976	1.2
85.02886	1.6
85.06532	0.4
91.05484	4.8
92.68406	0.4
93.03400	9.3
93.07023	1.5
94.04169	1.3
95.04964	4.3
95.08592	0.8
97.02888	1.0
97.06528	1.0
98.98462	2.7
99.72645	0.4
101.05978	0.5
105.03387	3.9
105.04498	1.0
105.07016	1.5
106.04174	0.5
107.04939	4.7
107.08604	0.6
109.06504	4.3
109.10184	0.5
111.04429	3.3
119.01210	0.4
119.04933	0.7
119.08523	0.9
121.02860	12.4
121.03822	0.7
121.06472	1.8
123.00777	1.7
123.04331	0.6
123.08047	0.9
125.06002	2.6
127.03934	0.7
133.10156	0.6
134.03593	2.6
135.04396	4.8
135.45792	0.4
137.05972	4.6
139.03871	1.3
139.07455	0.4
143.07040	0.5
145.10071	0.4
146.82870	0.4
149.02330	26.8
149.05988	2.4
151.03885	1.0
151.07529	0.9
153.05466	5.2
155.03354	1.5
163.03902	9.3
167.03386	29.5
167.07050	2.6
167.08263	0.6
169.04987	0.9
169.08600	2.2
177.05461	2.6
181.04939	100.0
182.05328	1.4
191.03386	0.8
195.06519	22.3
199.06102	0.8
205.04869	0.8
209.08069	4.6
213.07542	4.9
219.13751	0.5
223.05966	8.2
223.07957	0.7
223.11554	0.5
237.07552	2.9
237.18544	0.5
255.06328	0.8
255.08311	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	255.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
54.02970	0.4
55.01893	0.6
55.05510	0.9
65.03938	6.9
67.05497	1.6
69.03407	0.9
69.07056	0.7
69.15394	2.9
75.04482	2.8
77.03914	0.6
79.05492	4.4
81.07047	1.6
82.99554	0.4
83.04969	0.8
85.02904	1.9
91.05485	5.9
93.03404	11.7
93.07055	1.1
94.04184	1.4
95.01299	0.6
95.04963	5.7
95.08600	0.4
97.02881	0.5
97.06525	1.4
98.98466	3.7
99.04438	0.4
103.05460	0.5
105.03402	4.1
105.04530	0.9
105.07039	1.2
107.04943	4.4
107.08565	0.7
108.05721	0.8
109.06509	4.3
111.04459	4.0
119.01283	0.5
119.04940	1.1
121.02863	13.9
121.03904	1.1
121.06509	1.4
122.03645	1.0
123.00806	2.1
123.08072	1.3
123.11778	0.5
125.06004	2.3
127.03864	0.5
131.08516	0.5
133.10138	0.7
134.03571	2.0
135.04424	5.2
137.06012	4.1
139.03899	1.8
141.08823	0.4
143.07019	0.6
147.04475	0.5
149.02336	29.3
149.05971	2.5
151.03923	1.1
151.07515	1.2
153.05469	6.0
155.03362	1.3
163.03903	8.1
163.05270	0.5
167.03397	34.8
167.07101	2.1
169.04944	0.5
169.08656	2.3
177.05446	2.7
181.04950	100.0
182.05325	1.3
191.03419	0.7
195.06514	19.9
199.06024	0.8
205.04889	0.9
209.08075	3.9
213.07558	3.9
220.42560	0.4
223.05978	7.7
223.11623	0.5
227.10799	0.7
237.07611	2.9
237.14870	0.5
255.06395	0.5
255.08614	1.6
255.14209	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1075
Annotation	Lilioside B
Peak:m/z	Relative Intensity
53.03942	0.8
55.01871	3.3
56.96554	1.9
57.03438	31.4
59.05007	1.3
59.10899	0.9
60.46895	0.8
61.02927	46.5
69.03045	0.9
69.03423	6.6
71.01349	2.7
71.04993	1.1
73.02921	21.7
75.04478	16.4
78.03452	1.2
80.04999	2.4
81.03410	2.1
83.04994	0.8
85.02903	49.3
87.04458	2.7
91.03956	42.7
93.05518	34.7
93.34203	0.8
97.02895	21.0
98.03235	0.6
98.98447	3.9
99.04445	3.1
101.02384	2.8
104.19382	0.7
106.02924	6.0
109.02883	1.2
115.03925	6.7
120.08107	6.9
123.05551	100.0
124.03965	2.4
124.05871	1.1
127.03912	12.1
129.01865	3.5
133.04967	2.6
136.73181	0.7
143.03412	1.8
145.04958	18.2
157.01308	2.3
161.04448	2.6
163.06009	14.1
164.10730	12.8
171.02812	0.9
189.03941	8.0
203.05534	3.3
205.06859	0.7
208.99660	1.4
221.06609	1.2
223.11639	1.2
237.09554	0.9
255.06328	1.6
255.10602	4.9
255.14220	2.8
256.15424	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	255.159
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03928	2.8
54.57941	1.3
55.01870	2.4
55.05262	1.8
55.05509	28.9
57.01510	1.3
57.03436	47.7
57.07056	6.1
57.07308	1.3
61.36683	1.2
65.03934	2.6
67.05502	83.5
69.07069	24.4
70.06573	2.4
70.89876	1.3
71.01343	4.9
71.04987	9.0
71.44843	1.7
79.05492	74.3
81.03413	9.0
81.07053	43.8
83.04978	26.5
83.08621	7.6
85.02872	2.2
85.06530	6.0
88.07613	4.7
91.04941	2.2
91.05478	29.1
93.07043	87.0
95.04974	10.4
95.08599	13.4
97.05959	2.0
97.06529	22.8
97.10165	16.6
98.98473	9.6
99.08083	4.3
102.09109	2.9
104.35709	1.3
105.04475	1.8
105.07018	7.9
107.04939	3.0
107.08588	49.8
109.06497	3.0
109.10144	10.8
111.08053	2.7
115.64252	1.3
117.07028	7.3
119.08605	12.4
121.06524	2.2
121.10128	14.7
125.09603	4.4
133.10132	7.3
135.08037	3.8
135.11688	100.0
136.11984	1.9
137.09619	2.8
143.08459	1.4
145.10126	18.9
153.12698	3.3
157.10127	2.4
163.11183	15.2
181.12224	19.9
199.13248	1.4
212.04845	1.5
255.15872	81.6
256.16528	1.6
256.26355	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	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
55.01867	4.4
55.05510	23.6
57.03436	45.3
57.07076	9.8
62.72692	1.5
65.55219	1.7
67.05504	76.9
69.03432	1.8
69.07063	23.9
70.06589	5.5
71.01380	3.4
71.04993	7.9
71.08649	2.6
71.45363	1.8
79.05492	74.5
81.03413	9.6
81.07053	35.8
83.04970	21.8
83.08630	7.3
85.06536	6.9
86.06067	5.7
88.07626	4.4
91.05483	25.3
93.07043	77.7
95.04971	7.7
95.08600	12.7
97.06526	20.6
97.10163	15.2
98.98460	16.8
99.04424	1.5
99.08086	3.7
100.07636	8.9
102.09179	2.7
105.04505	3.6
105.07032	8.0
107.04977	2.7
107.08591	51.6
108.19077	1.6
109.06526	3.8
109.10183	7.1
111.08042	2.7
117.07015	10.0
119.08585	12.4
121.06505	2.4
121.10154	12.2
125.09634	3.7
128.06223	2.1
129.06996	4.2
130.07767	1.6
131.08536	2.8
133.10117	7.8
135.08051	3.4
135.11688	100.0
137.09612	2.1
143.08551	5.8
145.10114	17.9
153.12759	1.9
155.08519	2.0
157.10094	3.4
163.11186	12.5
169.10094	2.1
171.11633	1.7
181.10526	1.9
181.12198	16.4
183.11620	2.5
185.09769	2.1
195.11774	1.6
199.11229	1.8
227.18082	1.8
234.51596	1.5
237.16393	2.4
254.24767	10.5
255.15646	63.3
255.25128	15.8
256.26340	25.3
256.28955	2.8
260.77530	1.6
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
53.03938	1.5
53.41328	0.8
55.01853	3.5
55.05510	29.2
57.03437	47.8
57.07058	4.4
62.06092	11.9
65.03936	1.5
67.05505	74.7
69.03416	1.6
69.07069	23.1
70.41053	1.0
70.41394	1.2
71.01343	8.3
71.04996	7.1
71.08595	1.3
77.03960	1.2
78.08152	0.9
79.05492	60.6
81.03417	8.2
81.07053	36.8
83.04984	17.0
83.08621	6.8
85.02875	1.7
85.06550	6.1
91.04957	1.7
91.05480	25.2
93.07044	75.6
95.04970	8.3
95.08598	13.3
97.06536	19.9
97.09595	1.5
97.10171	20.1
98.98464	14.7
99.04447	1.7
99.08073	3.1
105.04478	2.3
105.07036	6.4
107.04956	2.4
107.08591	49.7
109.06499	2.8
109.10153	10.3
111.04455	1.4
111.08018	3.3
117.07043	8.0
119.08591	8.9
121.06500	2.8
121.10147	12.9
123.08064	1.2
125.05970	1.2
125.09616	3.7
131.08545	1.4
133.10135	4.9
135.08063	1.8
135.11693	100.0
136.12001	1.4
137.05927	1.2
137.09541	3.8
139.07539	1.3
145.09155	1.1
145.10139	16.4
151.11092	1.9
153.12750	4.7
157.09926	1.1
159.11649	1.2
163.11183	14.1
178.25624	1.1
181.04918	2.9
181.12230	19.3
199.13333	2.4
219.17352	1.4
219.21097	1.1
227.06882	1.6
237.14627	1.5
237.18549	1.2
238.17984	12.8
239.16463	1.1
255.06386	4.0
255.10248	4.0
255.15837	54.2
255.23196	1.5
256.16357	1.3
256.18872	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54472	1.5
55.01872	10.9
57.03439	27.6
59.05010	9.6
61.02926	6.8
61.96182	1.4
66.52657	1.6
68.47330	1.4
69.03432	6.4
69.72327	6.7
71.01352	8.1
71.05000	7.6
73.02911	10.6
75.04502	2.3
77.06069	3.6
81.03440	3.2
82.76395	1.7
83.01333	3.6
85.02911	38.0
87.04462	13.3
88.42175	1.8
89.02398	6.2
91.03953	4.6
93.05485	1.5
95.01353	1.8
97.02892	7.3
99.04449	2.0
101.02382	29.8
103.03954	4.0
107.04932	1.8
111.00809	3.4
113.02383	2.2
115.03925	39.1
115.04705	2.4
119.03416	2.8
120.08100	6.2
123.05560	4.6
124.03948	14.1
124.05909	3.9
124.86568	1.6
127.03895	9.3
129.01851	41.9
133.04959	9.0
141.01874	1.8
143.03403	27.3
145.04955	16.9
157.01335	32.1
159.02870	1.6
161.04451	37.8
163.06015	9.9
164.10718	12.8
171.02930	13.6
183.69704	1.6
186.70808	1.5
189.03946	100.0
190.04268	2.1
203.05492	38.4
207.05048	2.6
221.06583	11.6
224.07713	2.0
256.15430	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	256.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83271	0.8
55.01864	5.0
57.03435	15.4
58.03761	0.8
59.05003	5.7
61.02929	4.5
62.22556	0.9
69.03429	2.8
69.36839	1.8
69.37244	2.7
71.01368	2.9
71.04997	3.6
73.02924	6.3
73.29173	0.7
75.04481	1.5
83.01353	2.6
85.02901	19.9
87.04470	7.5
89.02386	3.8
91.03970	3.0
92.29212	0.8
93.05513	0.9
94.06624	1.0
97.02894	3.9
99.04471	1.4
101.02381	16.9
103.03921	2.2
109.02865	1.4
111.00814	1.3
113.02354	1.3
115.03931	21.1
119.03427	1.0
120.08106	45.6
123.05576	4.9
124.03952	8.5
124.05897	4.6
127.03886	5.3
129.01836	22.2
133.04977	4.4
143.03389	11.7
145.04968	8.1
146.82458	0.8
147.02847	1.0
155.08165	0.9
157.01328	15.6
161.04457	13.7
163.06023	2.7
164.10716	100.0
165.11192	1.3
171.02887	8.1
180.88481	0.9
189.03935	50.6
190.04298	0.9
192.10225	1.6
196.13329	4.8
200.78993	0.7
203.05505	20.4
207.05078	1.8
221.06561	5.9
224.07710	1.1
256.15442	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	256.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01871	11.6
56.96555	0.4
57.03437	28.2
58.99881	0.4
59.01100	0.3
59.01387	0.8
59.05001	13.8
61.02927	10.5
69.03430	12.1
71.00996	0.5
71.01357	7.8
71.04994	9.1
71.05386	0.5
71.28494	0.5
73.02917	15.5
75.04477	2.3
77.06049	1.8
81.03419	4.3
82.01437	0.4
83.01350	4.2
83.05018	0.3
85.02906	89.6
86.03244	0.5
87.00832	1.4
87.04466	18.1
89.02390	6.9
91.03963	5.4
95.01313	2.1
97.02895	18.3
98.97579	1.5
99.04457	4.2
100.02500	0.6
101.02381	34.4
101.06021	0.7
102.89056	0.3
103.03939	4.6
105.01874	0.5
109.02876	6.3
111.00795	3.4
112.79664	0.3
113.02376	2.9
115.03934	40.4
116.04227	0.5
116.98648	0.6
117.01852	0.5
117.04020	0.8
117.05479	0.6
119.01944	0.9
119.03399	2.6
123.05542	3.7
124.03970	3.5
124.05912	3.6
127.03917	20.4
129.01840	48.6
131.03401	0.9
133.01349	0.5
133.04968	7.9
134.65726	0.3
135.04999	0.5
139.51407	0.3
140.05579	0.4
141.01819	2.7
141.05481	0.6
143.03400	23.2
145.04961	41.6
145.75276	0.3
147.02901	2.4
151.09900	0.4
155.07062	0.4
156.08589	0.4
157.01326	37.5
159.02885	1.5
161.04451	35.2
162.04790	0.4
163.06009	15.3
164.10689	0.8
168.05099	0.5
171.02885	16.2
173.04512	0.6
175.02303	1.7
175.05992	0.5
181.07024	0.4
184.04568	0.8
189.03940	100.0
190.04247	0.6
196.09702	0.5
203.05504	37.3
204.05901	0.6
207.05049	1.7
221.06566	11.4
224.07637	2.7
230.05078	0.4
233.01462	0.3
238.10675	0.4
239.11255	3.0
251.02467	0.5
256.03055	0.5
256.11685	1.1
256.15399	0.4
261.98929	0.4
274.97455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	1.6
59.05003	0.5
61.02931	0.7
70.84366	0.3
78.15179	0.2
85.02888	0.4
91.05463	0.4
92.04952	0.2
94.06591	0.5
98.97585	11.4
101.02353	0.2
110.06027	0.3
115.03918	0.3
116.98621	5.0
118.06570	0.5
120.02179	0.2
120.08102	44.5
121.08451	0.4
134.99669	1.1
138.09142	0.6
146.09697	0.5
148.07564	0.5
149.88373	0.2
157.01347	0.2
161.04424	0.2
164.10709	100.0
165.11055	2.1
166.08681	0.3
172.94371	0.4
189.03918	1.0
190.95354	0.4
192.10170	1.0
196.13332	5.4
214.95436	0.3
224.12775	1.4
232.96390	0.9
250.97775	0.3
256.15424	16.2
256.96439	1.2
257.15662	0.5
274.97537	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	256.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
56.96549	0.3
57.03436	3.8
58.03740	0.4
59.05003	2.3
61.02925	2.8
69.03098	0.2
69.03424	1.6
71.01345	1.1
71.04996	0.8
72.17637	0.3
73.02908	2.5
75.04456	0.6
77.06034	0.3
81.03424	0.6
83.01357	0.4
85.02400	0.6
85.02899	7.7
86.03227	0.7
87.04449	2.0
89.02383	1.0
91.03954	1.3
92.04293	0.3
93.05525	0.3
94.06552	0.5
97.02883	2.1
98.03235	0.4
98.97587	0.8
99.04456	0.9
101.00862	0.3
101.02370	4.3
103.03940	0.5
105.18098	0.2
109.02881	0.6
110.06017	0.4
111.00793	0.4
115.03925	4.8
118.06544	0.6
119.03415	0.3
120.08099	43.7
121.08421	0.4
123.05547	1.3
124.03956	2.4
124.05904	1.8
127.03928	2.5
129.01836	5.3
133.04953	1.1
133.08835	0.3
136.07573	0.3
136.94023	0.3
138.09187	0.5
143.03407	3.5
145.04947	3.7
146.09645	0.6
148.07581	0.5
151.09988	0.3
152.10669	0.4
157.01338	4.3
161.03085	0.4
161.04445	4.3
163.06006	1.3
164.10703	100.0
165.11102	1.4
166.08598	0.6
168.45198	0.3
171.02827	1.7
173.02864	0.3
174.42052	0.3
189.03934	13.8
190.04344	0.4
192.10210	0.9
194.11790	0.4
196.09686	0.5
196.13344	5.0
203.05505	5.1
203.07248	0.4
203.09499	0.3
207.05051	0.9
221.06479	1.3
224.12738	0.8
238.10832	0.3
239.11507	0.4
256.11563	0.9
256.15427	19.6
271.26666	0.3
274.97849	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.05508	5.3
56.05836	0.9
57.03440	7.6
57.07065	1.5
58.03775	1.6
62.06087	83.0
67.05502	15.6
67.05864	0.8
68.05835	2.3
69.07067	7.5
70.07394	1.1
71.05007	1.2
71.24974	0.7
72.17790	0.6
79.05493	12.0
80.05825	2.4
81.03432	1.0
81.07053	19.3
82.07380	0.9
83.04969	3.2
83.08617	3.0
85.02901	0.7
85.05285	0.6
85.06554	1.3
86.09718	2.2
91.05473	5.0
92.05806	1.1
93.07040	13.4
93.44035	0.5
94.07370	4.2
95.04969	1.7
95.08587	5.4
97.06515	3.9
97.10174	1.0
97.88786	0.6
98.06054	0.9
98.06849	0.8
98.22576	0.6
98.97566	3.6
99.04427	0.9
105.07022	2.2
107.08597	8.1
108.08927	3.1
109.10149	1.2
111.60654	0.5
113.27749	0.7
116.98630	1.7
117.07018	1.8
119.08571	0.9
121.10166	2.7
122.10493	0.7
123.11733	0.9
125.02299	0.5
131.08540	2.1
133.10156	1.4
134.99672	1.0
135.11668	3.9
136.12006	5.2
143.11739	1.1
145.10135	0.6
146.10426	1.0
148.11183	0.7
149.13240	3.9
159.11726	2.8
164.11514	0.7
178.27010	0.6
182.12602	1.8
183.13785	1.1
186.09995	0.5
190.65439	0.6
195.13818	0.8
210.18549	0.7
238.18010	100.0
239.16397	8.2
239.18443	2.1
256.16251	5.6
256.19073	7.3
256.26321	1.8
259.87918	0.6
274.97516	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	256.3001
Annotation	N-Methyldioctylamine
Peak:m/z	Relative Intensity
55.05517	0.3
55.82722	0.2
56.96548	0.3
57.07075	5.3
58.06593	1.6
60.08162	20.0
69.47028	0.9
71.08630	2.3
81.07054	0.3
85.10182	1.0
98.97583	1.2
116.98614	0.6
134.99625	0.3
137.11272	0.2
219.16768	0.2
256.29977	100.0
257.30270	2.8
274.97537	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
54.17225	0.5
55.05512	0.5
59.05006	9.8
65.03920	0.6
67.01318	0.5
67.05514	1.8
68.02634	0.7
71.04987	1.4
71.43760	0.5
76.17155	0.4
77.03927	1.3
79.05495	3.4
81.03424	0.8
81.07055	2.2
83.04976	2.4
85.02931	0.7
85.06536	1.7
86.09691	0.5
91.05483	3.1
93.07032	0.8
95.04975	8.7
97.06554	0.7
98.97600	0.9
105.03397	1.6
105.04504	0.6
105.07057	0.6
107.04960	0.7
109.02888	1.8
109.06510	4.2
111.04439	4.7
111.08053	0.6
119.04918	2.1
121.06533	0.7
123.00806	1.5
123.04415	3.9
125.02357	1.6
127.07551	0.8
133.02846	1.2
135.04424	0.9
137.05980	4.6
137.85747	0.4
139.03903	79.0
140.04251	0.7
141.05499	0.6
147.04410	1.6
149.02327	0.6
149.88486	0.5
151.03908	41.5
153.05466	1.5
155.07037	2.1
157.04857	0.6
165.05479	100.0
166.05801	1.9
169.04910	0.5
179.06998	2.9
181.04982	4.6
183.06532	8.0
185.30377	0.5
193.04953	3.7
197.08083	1.6
207.06506	1.2
210.60350	0.5
225.07573	22.0
243.08649	1.1
252.93790	0.5
257.10120	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
65.03948	0.9
67.05513	3.3
67.05801	0.6
69.03421	0.7
77.03922	1.3
79.05492	7.8
81.07038	1.5
83.04990	0.6
85.02901	3.4
85.06480	0.4
86.36431	0.4
91.05479	7.9
93.07038	1.7
94.04196	1.1
95.04967	11.4
98.23456	0.9
98.97585	1.5
103.03960	0.8
103.05481	0.6
105.03409	3.7
105.04523	1.3
107.04955	1.7
109.06512	4.0
111.04456	0.8
113.06023	0.9
119.04948	2.7
121.06502	1.2
123.04439	8.5
123.08042	1.1
125.02347	0.8
133.02849	1.7
133.06473	0.6
135.04430	2.8
136.05162	0.5
137.06001	4.3
137.99593	0.4
139.03897	1.7
147.04422	2.9
149.02319	2.3
150.03186	0.7
151.03914	20.2
151.07538	1.2
152.04256	0.8
165.05478	100.0
166.05815	1.7
175.03946	2.8
179.07065	1.6
181.04996	0.8
183.06516	1.1
193.05014	3.1
202.48300	0.5
207.06490	5.0
224.01518	0.4
225.07565	8.6
239.09161	0.5
263.98773	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
58.17820	0.3
65.03934	0.4
67.05501	2.3
69.07076	0.3
70.95557	0.6
75.04467	0.3
77.03925	0.8
79.05479	1.4
81.07038	0.7
86.09697	0.4
91.05473	1.1
95.04965	29.8
98.97564	0.5
105.03390	0.9
105.04501	1.0
105.07029	0.4
105.27828	0.3
107.04953	0.5
107.08593	0.4
109.06549	1.4
119.04946	0.9
122.03603	0.4
123.03539	0.6
123.04428	10.7
125.06002	0.3
133.02846	1.3
135.04326	0.4
137.05974	2.5
139.03908	1.5
143.64639	0.3
147.04398	1.0
151.03900	31.1
152.04185	0.6
155.08594	0.4
160.59088	0.3
165.05469	100.0
166.05843	1.3
174.71190	0.3
175.03961	0.7
183.06544	1.6
193.03354	0.6
193.04977	5.8
197.13022	0.4
206.46249	0.3
207.06485	0.8
225.07629	1.3
257.08157	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1123
Annotation	1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide
Peak:m/z	Relative Intensity
55.05499	1.2
65.95721	0.3
67.05504	3.0
69.07048	0.7
69.74882	1.4
79.05488	1.1
81.07047	3.0
83.05815	0.3
83.08598	0.7
85.06545	0.7
91.05475	1.4
93.07046	0.8
95.04925	0.4
95.08607	2.5
97.59394	0.4
98.97572	0.7
105.07001	2.0
107.08566	0.7
109.10175	0.5
115.05431	0.4
115.91458	0.3
117.07039	2.4
119.08556	1.0
123.32194	0.4
128.06197	0.4
129.07013	1.4
130.07741	0.5
131.08577	5.8
133.10153	0.8
141.07004	0.4
143.08583	2.4
145.10120	9.3
145.14609	0.4
147.08089	0.5
147.11690	1.3
155.08572	0.9
157.10132	2.2
159.11665	3.0
160.52017	0.4
161.09576	0.4
161.13141	0.5
165.43224	0.5
169.10071	1.1
171.11743	2.0
173.13275	1.3
175.11172	0.5
183.11649	1.7
185.13277	0.6
187.11125	0.4
197.13281	1.2
199.14789	0.5
215.18037	0.5
229.19473	0.5
239.17905	3.0
239.20020	0.5
240.03117	0.4
257.11240	100.0
257.18945	8.3
258.11588	1.8
274.97580	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1285
Annotation	Albonoursin
Peak:m/z	Relative Intensity
50.26029	1.0
50.59079	0.8
53.59729	0.7
55.01874	0.8
55.05500	1.4
56.03103	0.7
56.96545	2.0
56.96803	0.8
57.03414	1.3
61.80949	0.7
65.03928	2.6
66.01920	0.7
67.05489	4.4
69.07047	2.0
76.73753	0.8
77.11334	0.9
79.05467	1.6
81.07059	1.8
81.69494	0.8
82.02937	1.2
85.06496	0.8
91.05477	2.9
92.05004	4.5
93.07047	0.9
94.06573	1.1
95.04955	1.4
95.08605	2.9
98.91833	0.8
98.97585	14.8
105.07006	1.6
107.08556	1.2
109.10107	1.0
110.06050	0.9
116.98619	9.1
117.06989	2.1
119.08537	1.2
120.04470	2.2
122.06013	1.8
128.06190	1.0
129.01614	0.8
129.07030	2.6
130.06535	1.2
131.08568	2.6
133.10149	1.1
134.99638	3.3
136.07594	1.2
141.06905	1.4
143.08546	3.0
144.08087	1.8
145.09000	0.8
145.10147	3.3
154.06483	2.1
154.07700	1.4
155.08624	1.1
156.08067	2.9
157.10109	2.2
159.11665	2.8
160.07637	2.1
168.06848	1.4
168.08105	3.3
169.08847	3.6
169.10092	1.2
170.05946	1.0
170.09503	0.9
171.09195	2.4
171.10483	1.2
171.11697	1.9
172.09909	1.4
172.11194	1.1
182.05952	1.2
183.06802	1.6
183.09174	2.6
183.11682	1.5
184.07574	2.0
184.11256	7.2
185.07051	1.6
185.10777	3.4
186.11533	8.0
187.08623	1.8
188.10651	1.0
189.10190	1.4
195.09203	1.0
196.07664	1.9
196.09911	1.7
197.08389	6.2
198.09175	1.4
199.08559	6.4
200.09421	14.9
200.11110	1.5
201.10167	3.8
201.13872	10.1
211.08647	2.7
211.12064	1.3
212.10730	12.7
213.06599	7.3
213.10150	10.9
214.07401	1.7
214.10869	8.7
224.09416	2.0
225.07991	1.0
227.08163	9.0
228.08847	24.6
229.09790	23.6
229.13332	38.2
239.11812	3.1
239.18002	2.8
240.10236	4.7
241.09706	19.6
242.10480	37.0
256.96344	1.1
257.12842	100.0
257.18942	6.6
258.13303	1.3
274.97504	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	257.1286
Annotation	Albonoursin
Peak:m/z	Relative Intensity
50.83119	0.5
52.56204	0.6
53.03944	0.6
53.39130	0.6
55.01874	0.7
55.05511	2.3
56.96556	1.8
57.03435	1.0
65.03949	3.8
67.05501	4.1
69.07056	1.7
70.09576	1.4
71.04977	1.1
79.05482	2.0
81.07050	4.1
82.02934	1.4
85.06551	0.9
89.00871	0.6
91.05469	1.7
92.05013	5.0
93.07041	2.4
94.06565	2.0
95.04955	1.1
95.08595	5.3
98.97587	9.4
100.43640	0.6
105.04517	0.8
105.07013	3.2
106.06598	0.7
107.04944	0.8
107.08608	1.5
108.08140	0.9
109.02882	1.8
109.06487	0.8
109.10127	1.0
111.08041	1.0
115.05455	0.9
116.98625	6.9
117.05720	0.6
117.07001	2.9
119.08582	1.5
120.04488	2.8
120.08136	0.5
121.10142	0.9
122.06025	2.3
128.06184	1.0
129.07004	2.5
130.06490	0.8
131.08540	3.8
132.08080	0.7
133.10123	1.7
134.99670	2.5
135.06876	0.6
136.07564	1.4
139.03920	1.4
141.06961	1.3
141.70624	0.5
142.07805	1.3
143.07420	0.7
143.08569	1.9
144.08093	1.4
145.10124	4.0
146.06007	0.9
147.11713	1.8
149.13303	0.7
150.09167	0.7
154.06516	1.5
154.07716	1.1
155.08557	1.3
156.08151	1.3
157.08920	0.9
157.10161	1.6
158.09598	0.8
159.09166	2.4
159.11699	2.1
160.07587	1.9
160.11208	0.7
161.09653	1.1
167.08588	0.7
168.08115	2.1
169.08862	3.3
169.10107	1.1
170.06104	0.6
170.09625	0.7
171.09195	1.5
171.10406	1.3
171.11676	0.9
172.07610	0.9
172.09966	2.6
173.10811	0.8
173.13240	1.2
174.09148	1.3
176.10736	0.6
178.40070	0.5
182.06052	0.7
183.06816	1.2
183.09128	1.3
184.07578	2.2
184.11211	6.4
185.07062	1.4
185.10768	4.0
185.13255	0.9
186.09169	0.7
186.11499	9.5
186.12787	0.7
187.08652	5.3
189.09006	0.8
196.07640	0.8
196.09886	0.6
197.08345	4.9
197.13181	0.7
198.09181	1.9
199.08569	4.1
199.14891	0.6
200.09401	7.1
200.10811	0.7
200.13083	0.9
201.10201	2.3
201.13855	12.2
202.12215	0.8
211.08650	2.5
212.10721	9.4
213.06595	5.8
213.10135	6.0
214.07425	1.7
214.10741	7.4
214.12688	1.1
225.07663	0.9
225.11142	1.3
227.08127	6.0
228.08900	7.9
229.09840	14.5
229.13341	46.5
230.13646	0.9
239.17966	2.3
240.10208	2.4
241.09784	6.8
242.10519	9.1
250.97395	0.7
256.26440	1.0
256.96326	1.2
257.12854	100.0
257.18857	6.5
257.22778	1.3
258.13187	1.7
274.97491	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	257.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.8
55.01860	7.6
55.05510	50.6
55.05774	3.7
56.96556	12.3
57.03434	9.0
57.07067	2.6
62.38070	2.2
63.29893	2.3
67.05503	41.1
69.03416	8.6
69.07054	10.4
70.32628	5.3
71.04986	4.0
79.05492	31.5
81.03423	42.4
81.07057	35.6
83.04972	16.6
83.08608	33.6
85.02898	32.4
85.06537	2.9
91.05485	34.7
93.07044	18.2
95.01328	16.5
95.04454	3.3
95.04966	22.2
95.08607	18.1
97.02877	3.7
97.06511	4.6
97.10172	30.9
98.10547	3.1
98.22773	4.0
98.97581	55.3
105.07032	34.8
107.04942	7.9
107.08582	24.0
109.02884	61.9
109.06480	6.1
109.10135	8.4
111.04430	8.5
111.08067	11.0
113.02388	5.5
115.05444	4.1
116.98624	37.2
117.07011	11.4
119.04909	2.7
119.08572	28.6
121.06499	5.8
121.10126	6.8
123.04427	22.7
123.08047	8.2
124.61446	2.2
125.09657	19.1
128.06216	3.4
129.07007	19.2
131.08572	27.5
133.06485	6.8
133.10115	14.6
134.99655	20.7
135.04454	3.6
135.08026	7.0
137.05995	5.0
140.00229	4.1
141.06918	3.5
142.07794	6.4
143.08553	9.3
145.10117	30.1
147.08072	9.0
147.11665	31.9
149.09633	3.8
151.03888	3.2
153.09143	2.7
157.10123	43.7
159.07973	2.7
159.11673	5.8
161.09558	2.6
165.12743	10.0
167.08482	2.9
169.10141	2.9
171.11623	2.6
172.94383	4.9
173.13257	4.3
175.11166	45.8
183.11780	4.5
185.09679	4.6
185.13261	6.6
189.11238	15.3
190.95453	3.7
193.12239	45.5
197.13242	3.1
203.10620	22.7
211.13298	5.7
221.11708	100.0
232.96472	2.6
239.12767	65.1
239.17920	7.4
240.13219	2.6
256.26453	5.9
256.96439	3.9
257.08505	5.1
257.11261	61.8
257.18967	27.4
274.97498	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
51.06522	0.9
55.01865	1.4
55.05294	1.0
55.05512	11.0
56.96551	2.5
57.03423	2.2
57.07083	5.5
57.89035	0.8
58.06604	1.0
59.04994	0.8
60.08168	13.6
62.95170	0.9
67.05505	20.7
69.03403	1.0
69.07055	4.2
69.64159	3.5
71.08626	1.7
73.59728	0.9
77.03947	0.9
78.83210	0.9
79.05484	4.2
81.07047	11.9
83.08604	3.0
85.06540	2.2
85.85606	0.8
91.05481	14.5
93.07042	4.6
95.08596	7.6
97.06514	1.8
97.10164	1.1
98.22657	1.8
98.97585	10.9
105.07031	13.3
105.19314	0.9
107.04927	1.3
107.08583	2.6
109.10147	4.0
115.05448	3.0
116.06239	3.4
116.98595	7.4
117.07019	15.4
119.08587	4.8
121.10133	2.0
125.09655	1.0
128.06233	5.7
129.07001	11.1
130.07799	4.9
131.08565	100.0
133.06476	2.0
133.10136	3.2
134.99652	1.7
135.08080	0.9
140.00211	1.1
141.06949	4.5
142.07776	2.6
143.08559	26.0
144.09302	1.4
145.06474	4.6
145.10121	78.9
146.10417	1.1
147.08112	1.4
147.11674	2.2
154.07674	1.1
155.08568	6.1
156.09280	1.1
157.10118	16.4
159.08038	2.0
159.11691	13.1
161.09584	2.2
169.10097	9.0
171.11690	14.8
173.09633	1.8
173.13289	3.8
175.11201	1.5
183.11697	9.5
185.13275	3.0
187.11182	10.7
189.12775	1.2
197.13277	9.4
201.12654	1.2
211.14864	1.6
215.14362	1.4
215.17931	1.2
229.19427	1.5
239.17937	14.1
250.97731	0.9
256.29974	26.8
257.18997	73.1
257.26599	2.0
257.27084	1.5
257.30313	32.3
258.19296	1.8
258.27963	3.3
274.97446	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	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03950	0.6
55.01865	1.0
55.05508	9.0
57.03421	1.9
57.07066	0.5
57.65057	0.4
65.03931	0.6
67.05505	17.5
69.07063	4.2
71.04974	0.9
79.05490	9.3
81.07053	14.5
83.04967	1.5
83.08612	3.4
85.06535	0.9
87.70716	0.4
91.05476	17.3
93.07047	8.2
95.04961	1.9
95.08604	11.6
97.06534	2.3
97.10153	0.8
98.97586	2.1
99.08095	0.9
103.05480	1.1
105.07027	15.5
107.04940	0.8
107.08602	6.2
109.06499	1.3
109.10150	4.0
111.08100	1.0
115.05383	2.3
116.06226	1.3
116.98634	1.3
117.07015	22.9
119.08581	8.5
121.06483	0.9
121.10116	3.9
123.08040	1.5
123.11700	0.8
125.09628	1.0
128.06216	3.3
129.06093	1.0
129.07002	13.9
130.07793	3.1
131.08562	47.6
132.08907	0.6
133.06528	2.5
133.10126	9.4
135.08060	2.4
135.11705	2.1
137.09578	0.8
141.06975	5.9
142.07770	3.6
143.08559	18.0
144.09317	1.4
145.06465	3.7
145.10118	70.6
146.10486	0.6
147.08029	2.8
147.11673	5.8
149.09631	2.3
154.07718	1.4
155.08569	7.0
156.09259	0.6
157.10120	17.3
159.08037	2.9
159.11687	26.8
161.09636	4.2
161.13225	1.7
163.11147	1.6
165.12717	0.8
167.08517	0.5
168.09378	0.9
169.10115	11.6
170.10951	0.5
171.11682	17.5
172.12265	0.5
173.09656	2.6
173.13257	12.4
173.50356	0.5
175.11176	5.2
175.14795	0.8
177.12711	0.9
179.14389	0.6
181.10146	0.7
182.10890	0.9
183.11684	12.7
185.13280	3.3
187.11163	6.4
187.14787	1.8
189.12704	1.8
195.11627	0.9
196.12442	1.0
197.13255	10.3
198.13943	0.6
199.14830	3.8
201.12738	2.3
201.16420	1.2
210.14046	1.0
211.14807	3.4
213.16359	3.1
215.14392	3.2
215.17892	2.2
229.15875	0.8
229.19514	4.8
239.17937	26.8
240.18269	1.0
240.27492	0.5
257.18997	100.0
258.19348	1.8
274.97382	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.01876	1.2
55.05517	9.4
56.96552	1.3
57.03430	2.1
57.07076	4.1
58.06612	1.0
59.05010	1.2
60.08163	12.1
61.08492	1.3
65.03930	1.5
67.05502	23.2
69.07061	4.1
71.04970	1.5
71.08629	1.9
76.94008	1.0
79.05483	5.5
81.07056	13.0
83.08616	2.5
85.06528	1.6
85.10188	1.5
87.05092	1.0
91.05470	14.8
93.07025	3.1
95.05019	0.9
95.08614	7.8
97.06509	1.3
97.10165	1.8
98.97583	11.1
105.07031	13.2
107.08577	3.7
109.10147	5.1
115.05473	2.4
116.06236	2.5
116.98599	6.4
117.07021	14.0
119.08571	4.5
121.06450	1.0
121.10148	2.2
125.09626	1.0
128.06219	5.2
129.07002	11.7
130.07776	4.1
131.08563	100.0
132.08896	1.2
133.06479	1.6
133.10159	2.3
134.99640	3.1
141.07004	4.4
142.07784	3.6
143.08556	26.8
144.09315	1.4
145.06454	4.6
145.10123	74.5
147.08058	1.9
147.11696	2.8
151.51343	1.1
154.07820	1.7
155.08513	8.3
157.10130	16.2
158.01262	1.1
158.07324	1.0
159.08095	1.5
159.11691	14.2
161.09608	2.8
163.11258	1.1
168.09311	1.6
169.10132	10.3
171.11664	15.6
173.09702	1.4
173.13271	3.8
175.11177	1.8
183.11707	10.2
185.13260	2.4
187.11174	11.7
189.12646	1.2
197.13252	8.5
201.12657	2.0
211.14743	1.3
213.16345	1.2
215.14352	1.8
215.17885	1.3
229.19420	1.9
239.17929	15.3
256.29987	30.8
257.19000	85.8
257.30322	38.8
258.19278	2.7
258.27890	2.5
274.97537	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
50.25325	0.7
55.05516	5.7
57.03177	1.3
57.03436	14.5
57.07059	0.9
58.72935	0.6
67.05504	12.4
69.07058	4.1
70.06475	2.1
75.93190	0.7
78.95508	0.7
79.05495	7.3
81.07056	10.0
83.08622	4.2
85.06541	2.5
91.05476	13.7
93.07037	8.0
95.04940	0.8
95.08598	9.4
97.26406	0.7
98.97588	4.7
99.08090	4.8
105.07027	14.3
107.08614	4.4
109.06500	2.2
109.10172	2.0
112.30385	0.8
115.05439	2.1
116.06226	1.4
116.98634	1.7
117.07021	34.6
119.08585	10.0
121.10121	3.0
128.06235	4.5
129.07002	25.9
129.07983	1.3
130.07800	4.4
131.08562	29.0
133.10115	6.1
135.08043	0.9
135.11659	0.9
141.06993	4.5
142.07791	4.1
143.08560	21.4
144.09323	2.1
145.06445	1.3
145.10121	50.0
146.10471	1.0
147.08081	1.0
147.11632	4.8
149.09552	1.4
155.08563	6.4
155.84663	0.8
156.09355	1.4
157.10135	23.3
158.10863	0.7
159.11696	43.4
161.09654	3.8
161.13232	2.3
163.11198	1.6
167.08598	0.8
168.09386	1.6
169.10129	12.6
170.10858	1.1
171.11717	11.3
172.12276	1.0
173.09631	1.8
173.13287	11.3
175.11192	3.4
177.12756	0.9
183.11694	11.4
185.13251	71.9
186.13612	1.3
187.11176	1.9
189.12721	1.2
197.13254	9.9
199.14732	2.2
201.12657	1.4
201.16374	5.5
210.14030	1.7
211.14807	3.0
215.14351	1.0
229.19507	6.1
239.15515	1.4
239.17944	27.2
257.18997	100.0
257.26553	5.4
258.19296	2.1
258.27930	2.3
274.97455	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	258.998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10131	0.2
54.98653	0.3
56.96568	8.3
57.03450	0.2
58.34536	0.2
66.90287	0.2
69.03432	0.6
70.98117	0.3
71.95269	0.5
78.59566	0.2
83.29316	0.2
85.02924	0.3
86.09718	0.2
87.36548	0.2
97.02907	1.7
98.97585	100.0
99.97915	0.5
100.97170	0.6
100.97980	0.5
101.00877	0.7
109.02785	0.2
115.03989	0.2
116.98623	39.0
118.98200	0.3
119.01892	1.3
131.01897	0.3
133.03433	0.5
133.05023	0.3
134.99663	8.7
138.99940	0.2
140.00180	0.5
153.00716	0.3
161.02921	0.3
174.97577	0.3
175.00903	1.3
176.04254	0.2
181.97406	0.2
194.05254	0.3
198.97675	0.2
199.02249	0.5
216.98709	0.6
217.01964	1.4
218.05066	0.2
225.96230	0.3
234.99615	0.5
235.03130	1.1
236.06238	0.3
240.98660	3.8
241.00897	0.3
258.99765	49.4
259.04224	3.7
259.99933	1.7
274.40817	0.2
276.98160	1.7
277.00809	46.1
278.00909	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	258.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98632	0.4
56.96564	9.4
57.03432	0.9
57.95381	0.2
58.96164	0.2
59.04984	0.2
61.02910	0.2
69.03426	3.6
69.66554	0.2
70.71912	0.3
70.98160	0.2
71.95261	0.3
81.03405	0.5
84.08118	0.3
85.02904	2.0
87.04465	2.1
97.02889	8.0
98.97578	100.0
99.84747	0.2
99.97912	0.5
100.02213	0.3
100.97174	0.5
100.97956	0.2
101.00878	0.6
107.04977	0.2
109.02856	0.2
115.03931	2.0
116.98616	53.1
117.98929	0.2
118.98224	0.2
118.99084	0.3
119.01913	1.1
123.04462	0.3
127.03913	0.2
133.03461	0.7
133.04942	1.5
134.99651	15.7
137.00055	0.2
137.02086	0.3
137.03082	0.2
139.00026	0.7
140.00215	0.9
146.02672	0.4
153.00682	1.5
158.01306	0.4
158.99677	0.5
171.01425	0.2
174.97623	0.4
175.00908	1.5
177.00769	0.4
181.97438	0.4
189.02455	0.5
192.01764	0.2
193.01843	0.2
194.05168	0.2
199.02145	3.6
216.98634	0.9
217.01941	2.0
234.99744	0.7
235.03015	0.7
240.98624	4.2
241.03175	0.8
241.07227	0.2
258.99765	63.1
259.04053	20.5
259.13629	0.6
259.99963	2.0
260.04526	0.2
261.03125	0.2
277.00793	61.4
278.00983	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	259.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29530	0.9
63.71068	1.1
69.03404	2.0
71.22837	1.3
75.26198	0.9
81.03384	1.0
83.45277	0.9
94.18371	0.9
97.02896	6.4
98.97573	5.4
106.89780	1.1
116.98588	2.7
129.10257	1.9
152.14435	1.0
183.10094	0.9
213.05498	1.4
258.99765	3.0
259.04239	100.0
259.16632	1.0
260.04434	1.4
275.26492	1.0
277.01074	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	259.0428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85526	0.1
54.60685	0.1
54.98659	0.4
55.79959	0.1
56.96566	9.5
57.03438	0.3
69.03423	0.9
69.67068	0.4
70.06602	0.1
70.99864	0.2
71.95261	0.6
72.08154	0.2
81.03441	0.2
82.99854	0.2
84.08141	0.2
85.02898	0.5
86.09713	0.2
87.04468	0.2
97.02891	2.7
97.37685	0.1
98.97581	100.0
99.97907	0.4
100.97197	0.5
100.98013	0.4
101.00867	1.0
102.00975	0.2
115.02428	0.2
115.03936	0.4
116.98620	49.3
117.98961	0.3
118.98248	0.3
118.99008	0.3
119.01901	1.8
131.01950	0.1
133.03461	1.0
133.04973	0.3
134.99655	13.8
136.99228	0.2
137.02065	0.3
137.03020	0.2
139.00011	0.5
140.00174	0.7
151.04501	0.3
153.00693	1.1
156.99840	0.3
158.01254	0.3
158.99670	0.3
161.02905	0.1
163.03862	0.2
171.01398	0.2
174.97626	0.2
174.99376	0.2
175.00890	2.8
175.02521	0.2
176.04169	0.1
177.00771	0.3
179.00705	0.1
181.97377	0.3
189.02451	1.0
191.44069	0.1
193.01965	0.6
194.05267	0.3
199.02151	3.3
216.98701	0.9
217.01929	2.6
218.05179	0.2
219.01906	0.2
234.99687	0.5
235.03067	1.5
240.98642	3.2
241.00867	0.2
241.03223	0.5
258.99768	51.4
259.04074	17.9
259.99878	1.7
260.04440	0.3
261.02942	0.2
277.00797	50.6
278.00977	1.6
279.01340	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	259.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
53.05455	0.8
54.65490	0.8
55.01875	3.0
55.05517	1.1
57.03182	1.4
57.03439	19.8
58.35756	1.0
59.04994	4.0
67.05497	1.7
69.03429	80.0
69.58047	4.0
71.01358	2.2
71.05006	1.1
73.02911	2.2
75.04469	1.4
75.29784	0.9
79.05497	2.6
81.03414	15.3
81.07079	1.3
83.01341	2.2
83.04955	2.4
85.02902	40.9
86.09703	1.0
87.04465	42.4
91.05449	2.2
95.01340	0.9
95.04974	4.8
97.02892	100.0
98.22716	2.0
99.04456	8.3
101.02345	1.5
103.05470	1.4
104.37521	0.9
107.04959	2.3
109.02860	3.8
111.04438	4.4
115.03929	39.8
119.04955	1.5
119.81811	1.1
121.06512	1.7
123.04435	6.9
125.02333	1.6
127.03914	8.0
133.04967	27.4
135.04358	2.2
137.51141	0.9
139.03899	2.8
143.03439	1.8
145.04985	4.3
147.04506	1.2
151.03935	4.5
161.04453	1.3
165.05481	4.0
168.06047	0.9
169.04976	7.4
177.05467	1.4
195.06627	1.0
211.06032	1.3
221.88565	1.1
223.05934	2.7
229.06981	2.2
241.07143	3.2
259.08145	10.2
259.10696	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	259.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01861	4.3
55.05516	1.6
56.05041	2.8
57.03436	16.4
59.05006	2.4
59.39212	1.3
65.03913	1.9
68.41319	1.4
69.03429	91.9
71.01360	2.1
71.04991	3.6
73.02921	3.9
79.05495	3.9
81.03421	17.8
81.07063	2.7
83.01337	2.5
83.04958	3.6
85.02904	36.0
87.04469	32.0
91.05494	3.2
92.32054	1.4
95.04997	7.6
95.08587	1.9
97.02891	100.0
98.09676	1.9
99.04469	11.7
105.07050	1.9
107.04980	2.3
109.02876	4.2
109.06536	2.7
111.04440	6.1
115.03930	34.9
121.02943	1.4
121.06459	1.6
123.04435	8.5
125.02384	3.2
125.09640	2.1
127.03930	10.7
133.04967	23.1
137.06017	1.9
139.03880	4.3
143.03429	2.1
145.04985	5.2
151.03882	5.0
165.05498	4.3
169.04994	5.7
179.83031	1.4
193.04921	2.3
205.04999	1.6
209.96638	1.5
211.06053	1.8
222.77208	1.5
223.05879	1.7
229.07101	2.4
236.32753	1.7
241.06958	2.8
259.08185	8.3
259.10782	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	259.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01869	8.4
55.05497	2.5
55.94888	0.9
57.03430	4.0
59.09290	0.8
61.82833	0.9
61.98649	1.0
67.05504	6.3
69.03429	19.7
69.07064	23.3
70.95781	1.4
71.01395	0.9
71.04970	1.2
75.04493	0.9
79.05489	17.7
81.03412	6.1
81.07059	3.3
83.04987	2.9
85.02908	7.1
87.04444	5.1
89.03909	9.0
91.05491	3.5
93.07053	2.9
95.04990	3.9
95.08595	1.9
96.94187	0.9
97.02891	18.5
97.06528	100.0
99.04482	2.5
103.05466	1.3
105.03405	1.2
105.04494	1.3
105.07034	2.3
107.04965	5.0
107.08608	2.7
109.02866	1.5
109.06551	1.1
109.10174	1.0
111.04438	3.0
115.03935	4.7
116.42422	0.9
116.98669	1.0
117.03386	10.5
117.06979	1.1
119.04980	0.9
119.08581	2.1
121.06491	1.0
121.10132	1.9
123.04480	2.2
127.03917	2.6
129.06984	1.5
131.04910	1.2
131.08577	1.5
133.02821	4.5
133.04987	2.3
133.10208	1.2
134.03642	2.9
135.04424	16.7
135.08066	1.2
141.07025	1.3
143.08501	1.4
145.02837	12.6
145.06424	1.2
145.10184	1.4
147.04448	2.5
153.07060	1.1
159.04443	4.2
159.11823	1.4
161.02350	10.3
161.05989	1.6
163.03897	67.3
163.11142	1.7
164.04343	1.0
165.05527	1.3
173.02341	35.7
173.09633	1.0
175.03961	1.1
185.06093	1.1
201.05531	1.4
209.11780	2.6
211.06125	1.0
212.04800	1.0
213.09167	1.0
215.07016	40.7
217.05002	3.9
223.13269	1.7
241.14366	2.6
258.19415	1.0
259.09705	40.0
259.16922	2.7
259.20648	2.3
259.23929	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81821	1.0
53.03941	3.2
55.01868	2.9
55.05524	1.4
55.78518	0.9
57.03176	1.7
57.03437	20.0
59.04994	3.1
67.05510	2.0
68.58774	0.9
69.03432	78.1
71.01366	1.6
71.04985	2.0
71.27498	1.0
73.02904	1.8
75.04479	2.1
78.62895	1.0
79.05487	2.4
81.03419	13.3
83.01351	1.9
83.04987	2.6
85.02903	38.0
85.03420	2.0
87.04472	37.1
91.05502	2.2
91.60789	1.0
93.07054	1.3
95.04980	5.8
97.02895	100.0
98.97572	1.3
99.04456	9.7
101.34665	1.0
103.03970	1.2
105.07030	1.1
107.04964	2.9
109.02897	3.0
109.06467	1.2
111.04442	5.3
114.09182	6.0
115.03934	36.7
121.06484	1.4
123.04420	6.6
127.03907	7.9
128.07048	1.3
133.04971	26.4
135.04451	2.5
137.06003	1.2
139.03912	3.4
141.05466	1.5
143.03409	1.8
145.04953	3.0
149.05995	1.2
151.03914	3.9
153.05437	1.3
165.05507	3.6
169.04984	7.0
171.51532	1.1
177.05464	1.8
181.04984	1.2
193.04977	2.0
194.03421	1.1
211.06013	2.4
223.05983	1.3
229.07190	2.3
241.06923	2.2
259.08218	5.8
259.11148	2.9
260.09192	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01869	8.4
55.05497	2.5
55.94888	0.9
57.03430	4.0
59.09290	0.8
61.82833	0.9
61.98649	1.0
67.05504	6.3
69.03429	19.7
69.07064	23.3
70.95781	1.4
71.01395	0.9
71.04970	1.2
75.04493	0.9
79.05489	17.7
81.03412	6.1
81.07059	3.3
83.04987	2.9
85.02908	7.1
87.04444	5.1
89.03909	9.0
91.05491	3.5
93.07053	2.9
95.04990	3.9
95.08595	1.9
96.94187	0.9
97.02891	18.5
97.06528	100.0
99.04482	2.5
103.05466	1.3
105.03405	1.2
105.04494	1.3
105.07034	2.3
107.04965	5.0
107.08608	2.7
109.02866	1.5
109.06551	1.1
109.10174	1.0
111.04438	3.0
115.03935	4.7
116.42422	0.9
116.98669	1.0
117.03386	10.5
117.06979	1.1
119.04980	0.9
119.08581	2.1
121.06491	1.0
121.10132	1.9
123.04480	2.2
127.03917	2.6
129.06984	1.5
131.04910	1.2
131.08577	1.5
133.02821	4.5
133.04987	2.3
133.10208	1.2
134.03642	2.9
135.04424	16.7
135.08066	1.2
141.07025	1.3
143.08501	1.4
145.02837	12.6
145.06424	1.2
145.10184	1.4
147.04448	2.5
153.07060	1.1
159.04443	4.2
159.11823	1.4
161.02350	10.3
161.05989	1.6
163.03897	67.3
163.11142	1.7
164.04343	1.0
165.05527	1.3
173.02341	35.7
173.09633	1.0
175.03961	1.1
185.06093	1.1
201.05531	1.4
209.11780	2.6
211.06125	1.0
212.04800	1.0
213.09167	1.0
215.07016	40.7
217.05002	3.9
223.13269	1.7
241.14366	2.6
258.19415	1.0
259.09705	40.0
259.16922	2.7
259.20648	2.3
259.23929	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05496	12.4
58.37683	4.3
62.98248	4.2
67.05482	13.4
69.07067	35.0
69.43069	6.0
69.43461	12.0
71.04995	27.7
71.47446	4.6
79.05457	6.5
79.72479	3.8
81.07049	20.9
83.08591	7.6
85.06538	23.6
91.05471	15.3
93.07015	15.6
95.08596	18.2
97.06545	8.1
98.22719	5.3
105.07007	28.8
107.08583	19.1
109.06505	11.7
109.10170	21.3
111.08065	13.3
117.07027	10.6
119.08589	60.1
121.10155	14.1
123.08047	4.2
123.11712	27.3
129.01834	11.0
131.08556	14.5
133.10129	44.7
134.63930	4.1
135.08044	15.4
143.08543	9.5
145.10107	33.1
147.11688	22.2
156.09331	7.2
157.10101	14.2
159.11667	39.9
161.13251	39.3
171.11664	16.8
173.13295	10.4
175.11139	4.8
175.14818	85.4
176.15410	6.9
177.12798	7.1
177.16280	5.6
185.13182	20.2
189.16348	10.1
201.16331	24.7
203.14330	9.0
210.85559	5.2
224.51245	4.4
241.19519	17.2
259.20572	100.0
265.84174	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	260.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	7.6
57.44392	2.3
59.05002	6.1
67.05502	13.5
68.05018	2.1
69.07061	3.9
69.53369	4.8
69.53759	4.9
71.04986	18.1
73.78062	2.4
79.05502	13.1
81.03425	15.0
81.07057	14.1
83.04977	7.8
83.08605	7.8
91.05486	16.9
93.07055	11.8
95.04965	7.4
95.08591	4.0
97.06522	7.8
98.22717	5.0
105.07020	9.4
107.04920	3.1
107.08595	8.5
111.08089	3.7
118.99265	2.1
119.08588	11.4
120.61852	2.2
121.10139	9.4
129.07007	4.1
131.08553	8.4
133.10118	16.6
147.08072	2.6
147.11647	10.6
149.09599	17.8
157.10135	13.0
165.12755	2.8
167.10670	4.2
175.11209	13.6
193.12228	35.2
199.13219	4.8
211.13283	100.0
216.07578	2.4
225.14865	9.6
226.93489	2.4
232.53664	2.4
256.01224	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0306
Annotation	Cyclophosphamide
Peak:m/z	Relative Intensity
56.96560	0.7
62.16693	0.1
69.79580	0.3
82.99850	0.4
98.97578	7.1
99.97906	0.2
100.97179	0.3
100.98011	0.2
101.00883	3.2
102.96863	0.1
116.98624	3.1
118.98215	0.2
119.01920	5.3
120.01955	0.2
134.99684	1.3
137.02930	0.5
140.98808	0.5
142.03505	0.1
153.00832	0.1
158.99875	2.0
165.99684	0.3
170.71516	0.1
175.02998	0.3
177.00940	9.8
178.01102	0.6
182.99799	0.8
184.00626	0.1
199.02956	0.2
200.02509	0.1
201.00932	2.6
201.02737	0.2
217.04079	2.0
219.01991	16.6
220.02112	0.8
225.00838	2.5
225.02872	0.2
234.00690	0.1
237.98778	0.4
243.01981	13.0
244.02216	0.7
261.03033	100.0
262.03177	5.5
263.03485	0.6
266.03711	0.2
279.00598	4.0
284.04596	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
55.01875	2.4
55.05512	98.8
56.96559	4.7
57.03436	6.7
61.02922	3.0
64.63503	1.4
67.05493	1.5
69.03421	8.2
69.07063	6.5
70.64829	1.9
71.01353	2.6
71.04980	7.0
72.08158	2.0
73.02921	8.1
79.05494	14.9
81.03419	4.7
81.07058	100.0
82.07399	1.8
83.04972	1.6
83.08622	38.2
84.08167	1.5
84.96022	1.5
85.02912	27.0
86.09717	3.3
91.03925	1.6
91.05502	1.6
93.07027	2.2
95.04971	2.8
97.02886	9.7
98.97591	10.0
99.04457	3.0
99.08097	25.0
102.96859	3.1
103.03937	1.6
103.97199	1.3
107.04929	3.0
109.02896	4.2
109.72900	1.3
115.03906	4.5
116.98621	7.2
125.02365	3.9
127.03916	4.9
133.04985	12.8
134.99680	2.6
138.99037	1.8
145.04973	7.9
152.07076	2.6
158.99684	2.2
162.65778	1.4
163.06000	1.5
165.05540	2.8
177.00719	2.0
193.04834	1.4
201.00722	1.9
219.01781	4.0
229.03120	2.2
237.02779	2.4
260.99606	2.9
261.03171	3.1
261.05814	16.2
261.09631	4.3
261.12811	2.2
278.96964	4.1
279.00647	3.2
279.03720	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	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02365	1.0
51.08261	0.5
52.89617	0.5
53.03937	1.2
55.05513	8.1
57.03429	0.9
57.07076	2.9
65.03919	1.1
67.05503	28.6
69.07067	8.9
71.04992	1.5
71.08628	1.1
73.23398	0.5
77.03902	1.0
79.05492	40.6
81.07056	33.2
83.04959	0.9
83.08615	5.4
85.06533	2.7
85.10172	0.7
91.05480	18.0
93.07042	57.3
95.04975	3.3
95.08600	25.0
97.06522	1.9
97.10149	2.0
99.08086	1.8
105.04478	1.2
105.07024	13.3
107.08591	35.2
109.06490	2.3
109.10154	10.7
111.08047	1.6
113.09666	0.7
117.07040	4.0
119.06065	0.9
119.08578	12.4
121.10137	30.5
123.08059	1.6
123.11715	3.0
125.09645	1.3
131.08560	10.0
133.10132	10.0
135.08029	1.4
135.11688	27.0
137.09601	1.5
137.13177	1.1
145.10121	10.0
147.11681	8.4
149.09602	0.6
149.13248	19.9
151.11169	1.0
153.12715	0.9
157.10072	0.8
159.11688	7.8
161.13257	8.1
163.11250	0.7
163.14809	11.8
165.12755	1.2
173.13283	7.5
175.14853	3.3
177.16376	3.8
179.14461	0.9
187.14841	5.5
201.16393	2.6
215.17969	1.3
218.31403	0.6
227.73575	0.6
233.22623	1.2
243.21077	21.1
244.21489	0.7
261.22128	100.0
262.22510	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01862	1.3
55.05511	14.0
57.03427	2.1
57.07067	3.2
65.03915	1.1
66.13673	0.8
67.05164	1.7
67.05503	29.5
69.07071	11.1
70.52248	1.7
71.04983	2.0
77.03896	1.2
79.05490	45.4
81.07053	37.9
83.04984	2.8
83.08615	6.8
85.06538	2.8
91.05476	32.2
93.07041	61.6
95.04979	4.9
95.08601	25.2
97.06508	2.6
97.10172	3.1
99.08067	2.4
105.04507	3.0
105.07029	18.9
107.04897	1.4
107.08588	40.2
109.06514	1.9
109.10143	11.8
111.08089	2.1
117.07009	6.9
119.08567	16.2
121.10139	37.0
123.08057	2.4
123.11712	5.5
131.08572	12.2
133.10124	10.8
135.10649	1.7
135.11685	28.9
137.09628	1.0
145.10130	11.3
147.11685	8.8
149.09680	1.3
149.13240	18.7
159.11700	8.8
161.13234	8.1
163.11137	1.0
163.14795	13.4
173.13293	8.1
175.14836	3.0
177.16379	4.3
179.14371	1.8
181.15913	1.0
187.14748	4.8
201.16422	2.1
205.15843	2.2
208.79797	1.0
215.17992	1.3
222.53474	1.0
243.21097	18.5
261.12903	2.6
261.18607	6.1
261.22119	100.0
262.22360	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	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.01598	0.6
53.03943	1.2
55.05265	0.6
55.05512	9.3
57.03428	1.2
57.07083	2.8
61.41817	0.4
65.03945	0.9
67.05505	26.4
69.07069	8.1
71.04971	1.4
71.08643	0.8
71.42694	0.5
77.03943	1.4
79.05493	37.6
80.05847	0.6
81.07056	29.8
81.70131	0.5
82.56428	0.4
83.04973	0.5
83.08637	4.5
85.06543	2.4
91.05484	17.5
92.05843	0.5
92.14412	0.4
93.07045	51.9
94.54256	0.4
95.04980	3.7
95.08607	22.2
97.06518	2.0
97.10171	2.5
99.08102	2.0
105.04496	1.5
105.07029	13.0
107.08594	31.0
108.08837	0.5
109.06525	2.2
109.10149	10.4
111.08089	1.3
111.11742	0.6
113.09672	0.6
117.07028	4.2
119.06082	0.6
119.08584	10.0
121.06553	0.6
121.10141	28.8
123.08046	1.5
123.11688	3.4
125.09603	0.8
131.08571	10.8
133.10135	7.1
135.11693	25.0
137.09648	0.9
137.13254	1.4
145.10130	8.8
147.11687	8.6
149.09636	1.0
149.13261	19.1
149.14450	1.0
151.11259	0.8
151.14897	0.7
153.12766	0.6
159.11690	7.6
161.13254	8.3
163.14835	11.0
165.12753	1.0
173.13252	6.7
175.14839	3.2
177.12697	1.3
177.16414	2.5
177.17772	0.5
179.14322	1.0
187.14801	4.0
189.16458	0.6
201.16356	1.2
203.17870	0.9
205.15915	0.7
215.17911	1.9
219.17404	0.5
233.22615	0.9
243.21083	19.7
244.21431	0.7
261.22131	100.0
262.22626	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	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01862	1.3
55.05511	14.0
57.03427	2.1
57.07067	3.2
65.03915	1.1
66.13673	0.8
67.05164	1.7
67.05503	29.5
69.07071	11.1
70.52248	1.7
71.04983	2.0
77.03896	1.2
79.05490	45.4
81.07053	37.9
83.04984	2.8
83.08615	6.8
85.06538	2.8
91.05476	32.2
93.07041	61.6
95.04979	4.9
95.08601	25.2
97.06508	2.6
97.10172	3.1
99.08067	2.4
105.04507	3.0
105.07029	18.9
107.04897	1.4
107.08588	40.2
109.06514	1.9
109.10143	11.8
111.08089	2.1
117.07009	6.9
119.08567	16.2
121.10139	37.0
123.08057	2.4
123.11712	5.5
131.08572	12.2
133.10124	10.8
135.10649	1.7
135.11685	28.9
137.09628	1.0
145.10130	11.3
147.11685	8.8
149.09680	1.3
149.13240	18.7
159.11700	8.8
161.13234	8.1
163.11137	1.0
163.14795	13.4
173.13293	8.1
175.14836	3.0
177.16379	4.3
179.14371	1.8
181.15913	1.0
187.14748	4.8
201.16422	2.1
205.15843	2.2
208.79797	1.0
215.17992	1.3
222.53474	1.0
243.21097	18.5
261.12903	2.6
261.18607	6.1
261.22119	100.0
262.22360	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	263.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61060	30.2
71.86366	8.4
101.00865	20.5
101.22562	7.8
119.01905	9.2
127.63654	9.4
143.01909	28.0
143.09814	8.1
150.27776	7.9
161.02950	39.1
169.51685	9.6
201.42352	9.6
263.01709	100.0
263.05344	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51902	0.6
58.99861	1.1
61.12626	0.5
63.58791	0.6
70.99846	1.5
71.42768	0.5
77.00908	1.7
81.03431	0.7
82.99848	2.2
86.99314	0.6
89.00883	1.7
95.01929	0.6
101.00240	0.9
101.00883	14.8
109.02853	1.1
113.00814	0.8
115.02429	1.0
115.84110	0.5
119.01920	13.8
127.02412	2.5
131.01865	1.6
131.36694	0.5
133.03447	0.8
135.01411	1.1
137.02942	1.4
139.02383	5.2
141.00305	0.6
143.01901	12.2
145.03462	6.1
157.03477	13.7
158.03694	0.5
159.01340	2.5
161.02968	15.8
167.01900	1.3
169.03429	0.6
173.02783	0.5
175.04512	2.0
184.97519	0.7
185.02975	5.1
187.04553	1.1
203.04005	11.2
221.05061	11.1
222.05023	0.5
223.92923	0.6
231.86964	0.6
239.06117	8.5
245.04979	0.7
263.06088	100.0
264.06311	4.6
281.07162	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88926	0.4
58.99857	1.1
70.99850	1.7
77.00912	1.3
79.23717	0.4
80.28008	0.4
81.03437	0.6
82.54659	0.4
82.99839	2.5
86.99313	0.5
89.00892	2.9
91.88639	0.4
101.00237	0.9
101.00878	13.9
108.51677	0.5
109.02853	0.5
113.00802	0.6
115.02431	1.5
119.01919	13.2
119.02769	0.7
127.02429	2.1
131.01901	1.5
135.01378	0.6
137.02960	0.7
139.02396	3.9
141.00346	0.8
143.01909	12.1
144.02063	0.5
145.03470	5.2
154.28143	0.4
156.02533	0.4
157.03477	12.9
159.01401	2.4
161.02969	17.9
163.04538	0.4
167.01877	1.5
169.03468	0.7
175.04497	2.2
179.04031	0.9
185.02971	4.5
187.04544	0.8
203.04010	10.4
221.05070	9.7
233.55948	0.4
239.06126	8.2
240.06183	0.5
245.05070	0.8
263.06091	100.0
264.06290	3.8
281.07193	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1278
Annotation	Trixol
Peak:m/z	Relative Intensity
51.75929	0.8
53.01752	0.7
53.03940	1.7
55.01869	2.6
55.05503	2.1
57.03408	1.0
59.46024	0.7
61.53793	0.7
62.38014	0.6
63.07408	0.8
65.03590	0.6
65.03902	1.2
67.05504	4.4
69.03426	7.7
69.07070	1.5
69.12435	4.5
71.04996	0.8
78.85143	0.6
79.05500	7.0
81.07068	6.8
83.04971	2.1
85.02905	2.8
87.04473	1.5
91.05477	8.2
93.07036	6.0
95.04974	4.3
95.08606	2.5
97.02873	5.1
97.06522	13.7
99.04411	1.4
103.05423	0.8
105.07023	10.9
107.04932	2.0
107.08593	15.0
109.02877	4.0
109.06521	5.6
109.10146	1.2
111.04449	7.7
113.02361	5.5
115.05446	2.4
116.06281	0.7
117.07008	4.1
119.04940	2.2
119.08581	11.9
121.06522	5.7
121.10124	1.6
123.04413	6.3
123.08052	3.3
125.40285	0.8
128.06209	4.5
129.07025	5.0
130.07811	1.4
131.08580	8.5
133.06491	4.1
133.10127	2.9
135.08051	100.0
136.08345	1.5
137.02310	1.2
137.05969	2.9
137.09515	0.8
139.03929	1.2
139.07513	2.2
141.07001	2.9
142.07768	5.5
143.08560	7.6
144.05754	0.9
144.09325	2.5
145.06470	4.9
145.10132	4.0
146.07292	1.4
147.04460	0.8
147.08044	8.6
149.05978	2.2
149.09625	2.6
151.07515	1.8
155.08522	2.4
156.09340	7.9
157.06500	2.8
157.10123	6.4
158.07254	2.8
159.08055	8.2
159.11694	8.7
160.08813	2.2
161.05980	3.0
161.09596	4.7
161.13197	0.8
163.07516	2.5
165.06987	2.0
165.09151	2.3
166.07790	3.5
168.09372	0.9
169.06468	1.7
169.10155	1.4
170.07281	0.7
171.04427	1.0
171.08090	3.8
171.11696	6.9
172.08815	6.0
173.06102	1.4
173.09631	12.0
173.13235	1.4
174.06740	2.2
174.10330	1.0
175.07600	4.2
175.11212	3.6
179.06992	0.9
179.08545	1.0
181.10120	3.8
183.11650	1.1
184.08835	5.4
185.06068	1.0
185.09627	4.7
187.07530	2.4
187.11166	29.4
188.08325	3.9
189.05405	0.9
189.09137	3.1
189.12726	2.6
191.07007	0.9
197.09500	1.4
199.07558	2.8
199.11169	19.7
200.11673	0.9
201.12704	1.0
202.09877	1.9
203.08731	1.5
203.10663	30.3
209.09671	2.4
212.08325	4.3
215.10670	20.2
217.08765	1.7
217.12209	16.3
227.10663	15.3
233.11723	20.1
245.11729	50.3
246.12068	0.7
263.09998	1.0
263.12787	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2006
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
51.02365	1.0
53.03943	2.2
54.70289	1.1
55.01873	2.3
55.05511	18.7
56.05014	0.8
56.83403	0.9
57.03445	5.3
57.07070	3.5
57.40442	0.9
59.05009	1.2
65.03943	1.5
67.05503	26.9
69.03446	1.1
69.07062	13.7
71.04987	3.4
71.11981	1.4
73.06541	1.4
77.03918	3.1
79.05489	90.9
80.05836	1.0
81.03427	1.0
81.07055	38.8
83.04970	4.6
83.08617	8.4
85.06540	3.0
88.07639	2.1
91.05478	35.8
93.07041	100.0
95.04959	9.3
95.08599	30.9
95.59985	0.8
97.06518	3.4
97.10174	5.2
99.08088	2.6
101.88811	0.9
103.05468	1.4
104.99273	21.3
105.04503	2.9
105.07027	23.3
107.04957	1.4
107.08591	78.9
109.06506	5.9
109.10156	12.2
111.08025	1.5
117.07018	3.5
119.06112	1.8
119.08572	21.8
121.06502	3.0
121.10142	67.4
122.10487	1.2
123.08082	1.7
123.11705	3.1
125.05972	1.2
125.09634	1.5
127.07494	0.9
129.07002	2.3
129.19321	0.8
130.92296	0.9
131.08563	6.2
133.10109	14.1
135.08049	4.9
135.11687	38.6
137.09639	2.5
142.07776	1.4
143.08594	4.2
145.06467	1.3
145.10130	6.9
147.08012	5.4
147.11674	10.4
149.09608	3.4
149.13245	10.7
151.11172	1.4
153.09238	0.9
157.10104	3.8
159.11734	5.5
161.09572	5.9
161.13248	6.4
163.07567	1.0
163.11226	2.5
163.14857	2.6
165.12823	1.2
167.10661	2.3
171.11713	2.9
173.13274	4.4
175.11157	2.7
175.14835	1.7
179.10709	0.9
181.12183	1.9
185.13268	3.9
189.09105	3.4
189.12746	2.4
191.14331	3.5
193.12271	1.1
199.14886	2.6
203.14352	2.8
203.18053	1.2
207.10197	3.0
207.13835	2.5
208.94312	0.9
215.22008	3.5
217.15887	2.1
217.19447	1.7
221.15349	1.9
227.17941	4.2
245.15346	2.0
245.19092	6.8
263.16461	39.5
263.20062	97.5
263.24005	8.1
264.16925	1.5
264.20355	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	263.2006
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
51.02387	0.5
52.56146	0.4
53.03945	1.8
55.01874	1.5
55.05508	20.1
55.05781	1.0
57.03425	2.8
57.07072	2.1
59.05008	0.8
60.47258	0.4
65.03923	2.2
67.05505	27.5
67.42743	0.5
69.03438	1.8
69.07066	15.2
70.24420	0.8
71.04995	2.4
73.06548	0.9
74.06088	0.7
77.03920	2.0
79.05489	84.4
80.05826	0.8
81.03428	0.7
81.07052	35.3
83.04967	4.5
83.08615	8.5
85.01586	0.4
85.02915	0.5
85.06541	3.5
88.07631	1.3
89.07940	0.8
89.12920	0.4
91.05476	31.6
93.07041	100.0
94.07391	1.1
95.04432	0.3
95.04967	9.6
95.08603	29.6
97.06522	3.3
97.10165	4.3
99.08093	2.7
101.06023	0.7
103.05512	0.5
104.99271	15.5
105.04539	3.5
105.07028	24.5
107.04973	1.2
107.08587	78.4
108.08896	1.1
109.06513	7.0
109.10155	11.3
111.04451	1.1
111.08080	1.5
113.06032	0.7
117.07011	3.7
119.06061	2.2
119.08575	20.0
121.06547	2.2
121.10139	70.0
122.10453	0.9
123.08046	3.3
123.11694	2.2
125.05946	0.7
125.09624	1.9
127.07540	1.1
128.06190	0.8
129.07011	2.0
131.08548	6.2
133.06473	0.6
133.09358	0.3
133.10120	17.1
135.08084	4.4
135.11688	37.2
136.12047	0.6
137.09593	2.5
139.07559	0.6
139.11147	0.6
142.07809	0.7
143.08577	4.0
145.06476	1.0
145.10103	5.5
146.07275	0.5
147.08040	6.1
147.11685	8.5
149.09586	2.7
149.13258	13.2
149.52080	0.6
151.11150	1.7
153.09097	0.8
155.28304	0.6
157.10133	3.1
159.08067	0.7
159.11691	5.6
161.09604	4.9
161.13252	4.5
163.07552	0.9
163.11195	3.2
163.14825	1.9
165.09026	0.6
165.12796	0.6
167.10640	1.3
170.10861	0.8
171.08064	0.7
171.11697	3.4
173.13243	3.7
175.11154	2.4
175.14844	1.8
177.09218	0.7
177.12747	0.9
179.10641	1.5
179.14311	0.4
181.12253	2.3
183.11345	0.6
185.13272	3.5
187.11098	0.6
187.14844	0.7
189.09113	2.3
189.12666	2.1
189.16376	0.6
190.09952	0.6
191.14273	2.5
193.12239	1.7
195.13786	0.9
199.14783	3.3
203.14297	3.6
203.17998	1.1
207.10214	2.6
207.13806	2.1
207.17270	0.5
215.21999	3.5
217.15791	1.4
217.19489	1.2
221.15424	2.1
227.17986	3.7
245.15349	2.2
245.19017	6.1
248.08382	0.4
262.98221	0.5
263.16431	39.8
263.20026	97.2
263.24002	7.8
264.16760	1.3
264.20377	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	264.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	100.0
67.98173	0.8
69.46069	1.4
69.46481	1.6
72.96041	1.2
74.97632	1.1
75.18090	0.5
79.46893	0.5
81.03440	0.5
83.97625	1.8
84.04521	1.8
85.02898	1.2
85.90130	0.6
86.06072	0.6
98.97580	16.3
110.51774	0.5
114.05540	1.2
116.98618	8.2
122.07146	3.1
134.99652	3.0
138.09155	0.8
142.04962	0.7
144.04785	0.8
144.96840	0.6
149.02737	1.2
156.10185	0.8
162.03032	0.7
165.02257	1.7
167.03737	0.7
176.03835	19.4
177.02229	0.8
178.05392	30.7
181.01718	1.5
183.03297	7.3
184.09749	0.9
186.02252	1.0
192.03262	1.3
194.04883	6.2
195.03273	0.5
196.06474	17.1
201.04375	4.9
202.10704	6.1
204.03284	9.4
208.02800	3.3
210.04376	1.4
219.03317	1.0
222.04369	86.3
223.04745	1.9
225.89473	0.5
226.03847	2.4
240.05421	66.7
241.05801	1.3
245.05963	2.7
247.90715	0.6
264.05435	29.5
264.12314	0.9
264.16025	0.9
282.06351	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	264.0868
Annotation	Melisemine
Peak:m/z	Relative Intensity
50.79264	0.2
52.13433	0.3
69.95291	0.8
70.06578	0.3
70.98158	0.2
79.05508	0.6
80.05013	0.3
85.02882	0.4
93.09830	0.2
98.23415	0.3
103.05491	0.3
104.90485	0.3
106.79171	0.2
107.04932	0.5
112.11218	0.4
117.05779	1.4
117.06501	0.2
118.06504	0.5
120.08086	1.4
122.07143	0.6
130.06520	4.6
131.04893	0.3
131.07315	2.1
132.08086	0.6
134.09641	1.4
136.35172	0.3
141.08757	0.2
143.07364	0.2
145.05244	0.5
146.05991	0.5
158.06013	1.0
159.06812	2.6
160.07576	0.6
164.07083	0.4
175.06299	0.7
176.07068	53.3
177.07523	1.1
186.05527	0.3
188.07129	1.2
190.08696	0.4
191.05766	0.5
194.11705	0.3
196.09648	0.3
202.04811	0.3
202.14493	0.3
204.06567	16.0
205.07301	0.6
206.08133	5.3
218.15424	0.7
219.08830	0.4
232.06041	10.5
234.07599	3.3
236.09128	1.2
246.07677	0.6
264.08667	100.0
264.16129	4.4
265.09061	2.1
265.15549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1596
Annotation	Pyridoxatin
Peak:m/z	Relative Intensity
71.59052	0.3
74.28107	0.3
81.07037	0.5
91.05492	0.4
99.93927	0.3
105.07032	0.8
107.08588	0.5
115.05456	0.5
117.05758	0.5
118.06528	1.5
119.08572	1.0
122.07156	0.5
130.06566	0.7
131.07230	0.7
132.08102	0.9
137.21983	0.3
144.08066	5.9
145.06480	0.8
145.08826	0.9
146.09641	1.5
147.11688	0.3
158.09631	2.5
159.10414	1.5
160.11235	0.8
164.06992	1.7
172.11188	2.6
173.05972	1.2
174.09131	0.3
176.07076	3.7
176.14330	4.4
180.06564	0.4
188.07034	0.9
188.14294	0.7
190.06270	0.6
190.08655	2.1
191.09462	0.5
192.10034	0.4
194.08073	2.3
196.09755	0.5
202.08617	0.7
202.15900	29.5
203.16287	0.8
204.10170	1.4
205.08656	1.3
206.08282	0.4
212.56544	0.4
216.13828	21.7
217.14069	0.7
220.09715	0.9
221.10388	0.4
232.09686	0.8
234.14870	30.4
235.15277	0.6
246.14899	3.4
253.36916	0.3
264.15939	100.0
265.08316	0.4
265.16226	3.6
271.76071	0.3
275.97128	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
60.62568	1.1
69.03165	1.0
79.05444	1.5
81.03395	2.6
89.69754	1.3
91.05474	3.6
101.52974	1.1
103.05478	2.2
109.02842	1.5
109.10118	1.4
115.05452	23.3
116.98685	1.1
117.07014	43.6
121.02827	1.2
122.07135	4.3
127.05405	1.2
128.06219	3.3
129.07016	4.1
130.04111	2.7
131.04932	1.6
131.08540	1.6
143.04897	1.9
143.72174	1.2
144.05698	2.6
145.06479	81.0
146.06000	4.9
147.04234	1.2
147.08075	2.3
155.06036	14.1
156.05684	18.5
157.06451	3.3
157.15622	1.3
159.08072	3.6
160.05197	2.7
161.05969	3.2
163.03899	1.9
167.07066	1.3
172.05170	1.6
173.05980	100.0
174.06398	2.2
175.03824	2.9
175.07484	2.7
178.08641	6.6
187.07497	4.7
189.05656	1.4
190.06241	33.4
191.06960	1.7
199.11375	1.2
202.06223	5.2
203.07031	14.1
205.08592	89.1
206.08936	1.3
217.08591	54.2
218.09233	2.3
220.09650	2.2
222.11218	12.5
235.09610	11.4
247.09779	2.8
265.08386	1.8
265.10992	2.0
266.10214	17.5
287.22128	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1073
Annotation	Scytalol D
Peak:m/z	Relative Intensity
53.03956	1.6
53.89738	1.5
55.01863	6.6
55.05506	2.1
60.56011	1.4
67.05503	4.4
69.07056	4.6
69.60724	5.1
69.61056	1.8
79.05502	16.4
81.03416	20.6
81.04529	2.1
81.07067	8.4
91.05475	13.7
93.07020	6.0
95.04963	4.2
95.08602	6.9
98.22758	3.3
103.05476	2.1
105.07049	7.7
107.04958	31.3
107.08600	3.8
109.02894	1.9
109.06518	4.3
109.10148	3.2
115.05449	21.2
116.06190	3.1
117.07017	31.8
119.08549	3.5
121.06496	1.8
122.07151	18.5
123.04360	2.2
123.11768	1.9
124.05202	5.5
125.05983	2.1
128.06229	5.7
129.07024	14.1
131.04907	6.1
131.08569	18.4
132.05676	2.3
133.06471	6.0
133.10103	3.3
135.08067	1.9
135.11699	2.4
141.06964	11.1
143.04926	3.9
144.04721	4.2
144.05724	19.1
145.06488	53.4
147.04367	2.5
147.08018	5.2
149.09610	3.1
152.04718	2.6
155.04916	3.6
155.06038	11.8
156.05695	9.4
157.06487	10.5
158.07234	4.6
159.04332	1.9
159.08055	25.0
160.05135	2.1
161.05954	10.3
165.05450	1.8
167.07040	67.5
169.06453	4.3
169.07622	4.6
171.04486	2.1
172.05177	6.6
173.05981	75.0
173.13290	2.0
174.06648	1.9
175.03856	2.2
175.07558	8.3
177.09088	2.6
184.05132	1.6
185.06007	1.8
186.06743	4.0
187.05969	2.6
187.07558	37.5
190.06258	41.7
191.07039	7.0
192.07802	4.5
193.08582	6.8
194.07330	2.2
202.06207	2.6
203.07022	13.1
204.07869	1.9
205.08601	100.0
207.06261	2.0
207.10190	6.7
215.07001	12.5
217.08595	29.8
218.09367	16.1
219.06476	2.6
219.10168	30.6
223.13324	2.0
229.08716	2.8
233.08032	4.6
235.09705	8.4
237.11214	2.4
247.09660	46.7
247.16916	2.7
265.08505	5.0
265.10730	24.8
265.13879	3.3
265.18137	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	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
53.03943	4.6
54.50578	2.5
55.01856	4.2
55.05518	17.4
57.03434	3.6
59.65947	2.5
61.34122	2.3
65.03916	8.3
67.05501	24.7
69.03077	3.1
69.03428	39.5
69.07041	7.7
69.26907	15.8
71.04965	9.5
72.08105	3.3
79.05493	20.2
81.03374	3.1
81.07052	18.8
83.04949	12.8
85.02879	12.4
87.04441	5.4
91.05480	45.1
93.03382	7.7
93.06520	4.4
93.07042	37.5
95.04440	4.7
95.04974	56.1
95.08605	22.2
97.06482	10.6
99.04417	6.1
103.05418	4.1
105.07031	72.1
107.04935	4.8
107.08611	26.4
109.02861	3.7
109.06525	32.8
109.10147	6.8
111.04441	31.4
111.08029	12.0
113.02333	4.2
113.06015	25.0
115.05421	6.3
116.06190	3.9
117.03253	2.8
117.07037	18.8
119.04862	3.0
119.07772	5.9
119.08578	94.3
120.08104	22.5
121.02823	12.5
121.06510	49.6
121.10158	16.2
122.07149	14.4
123.04344	3.6
123.08105	27.1
123.98610	2.6
125.05978	4.0
128.06180	7.1
129.07028	13.5
130.07712	8.8
131.08578	44.0
133.06450	11.7
133.10127	21.9
135.07069	5.8
135.08052	90.3
137.05865	4.3
137.09602	17.8
138.09093	2.8
139.03850	10.2
139.07500	10.0
141.07004	6.3
142.07744	10.8
143.08554	18.3
144.04700	6.1
144.05743	3.9
144.09262	7.4
145.06458	16.3
145.10136	35.3
146.07178	3.5
147.08034	54.6
147.11697	17.3
149.05974	6.8
149.09642	13.6
151.07532	6.0
155.08438	9.3
155.10616	3.9
156.09314	5.0
157.06435	6.2
157.10109	24.1
158.07295	21.0
158.10890	6.3
159.08070	54.4
159.11684	45.5
160.08702	6.3
161.05901	4.1
161.09616	52.7
161.13184	8.2
163.03949	5.1
163.07481	3.7
165.09113	42.2
168.09317	6.4
169.09991	4.2
171.07993	13.3
171.11615	9.7
172.08838	20.7
173.09584	23.3
173.13225	21.4
175.07542	88.8
175.11168	43.5
175.14635	3.0
177.09102	3.0
181.06422	5.0
183.11655	10.8
184.08763	3.5
185.09538	12.0
185.13019	3.6
186.10402	3.1
187.11177	52.3
189.09131	13.5
189.12759	15.7
193.08620	23.6
193.10155	5.3
196.08777	7.0
199.11197	18.4
201.12726	49.7
203.10658	64.7
205.12184	10.1
206.11707	3.4
211.11154	30.4
217.12216	35.5
219.13698	11.6
229.10281	3.3
229.12256	44.8
229.34221	2.7
234.11078	3.7
235.13133	12.4
247.13251	66.8
265.11453	7.2
265.14270	100.0
266.13849	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	265.1435
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03955	3.8
55.01891	2.9
55.05508	12.7
57.03426	3.1
59.20851	2.6
62.47017	2.7
65.03946	10.7
67.05506	27.9
69.03423	40.9
69.07079	5.3
71.04996	8.2
71.45097	2.8
72.21484	2.4
75.23029	2.8
79.05486	16.9
81.04581	3.0
81.07066	21.5
83.04982	9.0
85.02922	6.3
91.05485	49.2
93.03419	4.9
93.07050	45.7
95.04971	49.8
95.08608	25.4
96.72962	2.8
97.02893	4.5
97.06532	8.9
99.04457	7.5
103.05492	8.4
105.07037	69.9
106.78330	2.6
107.04963	5.7
107.08598	22.6
109.02864	3.4
109.06519	32.9
109.10164	5.8
111.04462	37.7
111.08096	11.0
113.05999	19.4
115.05467	6.6
116.06252	6.5
117.07036	15.8
119.08585	100.0
120.08113	17.2
121.02888	11.3
121.06514	53.2
121.10151	13.2
122.07159	21.4
123.08082	22.1
125.05974	3.1
128.06242	8.4
129.06990	16.4
130.07785	7.9
131.08566	44.9
131.09477	4.2
133.06525	10.9
133.10133	22.8
135.08054	98.3
137.06024	3.8
137.09624	16.1
139.03935	8.7
139.07545	11.1
141.07021	10.4
142.07803	11.8
143.08577	20.2
144.04820	4.9
144.09346	10.3
145.06483	19.6
145.10121	32.5
146.07213	3.9
147.08046	51.8
147.11681	18.1
149.05981	3.4
149.09671	12.6
151.07529	4.7
153.07074	2.8
155.08574	8.0
156.09363	11.6
157.06570	3.1
157.10114	23.3
158.07285	22.9
158.10872	4.7
159.08080	41.8
159.11697	43.7
160.08936	5.4
161.06004	4.4
161.09618	47.5
161.13310	9.0
163.07542	5.4
165.09131	37.2
167.08606	3.5
168.09343	9.1
169.10123	7.3
171.08096	7.4
171.11728	9.4
172.08847	28.5
173.05885	3.7
173.09607	28.4
173.13269	20.9
174.06824	3.3
175.07550	77.1
175.11179	39.8
177.09268	2.7
181.10205	3.2
183.11708	11.9
185.09666	7.2
186.10394	7.2
187.07637	3.8
187.11189	45.4
189.09138	10.0
189.12711	13.4
191.10683	3.7
193.08638	17.9
193.10100	5.5
196.08833	9.9
199.11214	16.6
201.12727	40.8
203.10680	54.5
205.12283	10.7
211.11163	23.6
217.12245	32.3
219.13876	9.8
229.12225	34.4
235.13290	9.3
247.13216	58.8
265.06839	2.9
265.14337	84.8
266.13895	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	265.1549
Annotation	H-Phe-Val-OH
Peak:m/z	Relative Intensity
56.96555	0.5
57.03450	0.3
67.05505	0.8
69.03442	0.8
69.61402	0.6
69.61790	0.5
72.08153	0.4
79.05482	0.3
81.04559	2.4
85.02896	1.5
85.06543	1.4
86.06071	100.0
87.04462	1.8
87.06406	0.6
91.05482	0.3
93.07098	0.3
95.04969	0.5
97.02893	0.4
98.75500	0.3
98.97575	0.8
103.07584	0.7
105.07060	0.6
111.04444	0.3
116.98608	0.5
119.08552	0.3
120.08108	27.4
121.06474	0.5
121.08382	0.4
122.07159	19.3
127.03968	0.5
129.02061	0.3
129.07059	0.3
130.05005	0.3
131.08505	0.3
135.08026	0.6
135.69797	0.3
137.09666	0.3
139.03865	0.3
144.04800	5.0
145.01614	0.4
145.04927	0.4
147.08055	0.4
148.07584	1.6
159.08067	0.5
159.11617	0.4
161.09639	0.3
163.07524	0.3
175.07547	0.7
175.11237	0.3
180.10204	13.4
180.11813	0.7
187.11171	0.3
188.06984	0.3
203.10733	0.6
205.13368	4.0
206.11765	1.2
217.12308	0.4
217.84824	0.3
220.50616	0.3
229.12091	0.3
234.11153	0.7
240.54938	0.2
247.13210	0.5
261.03125	0.3
265.06332	0.5
265.12320	0.9
265.15479	26.4
266.10361	0.9
266.13855	2.4
266.15536	0.5
266.16238	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.18
Annotation	Nardosinanol G
Peak:m/z	Relative Intensity
52.22802	2.1
55.01873	5.4
55.05506	11.2
57.07071	3.0
59.21850	2.0
60.11535	2.0
67.05498	29.3
69.07068	52.4
70.57576	6.5
71.05004	3.3
73.06555	7.5
75.42564	2.1
79.05491	53.0
81.03410	4.3
81.04524	2.7
81.07055	26.8
81.63881	2.2
83.08614	5.3
85.06550	3.3
89.56979	2.2
90.83881	2.2
91.05482	31.3
93.07047	27.4
95.04964	7.6
95.08611	23.2
97.06522	16.2
105.04510	2.3
105.07026	26.5
107.04964	5.8
107.08591	100.0
109.06525	10.5
109.10168	8.5
111.08086	2.2
115.07614	3.6
115.53629	2.5
117.07015	9.1
119.08578	19.6
121.06516	2.6
121.10124	4.8
122.07142	33.6
123.04438	2.6
123.08072	6.2
125.06007	3.9
129.07007	3.9
131.08577	17.0
131.44485	2.4
133.10138	16.4
135.08058	5.5
135.11673	3.2
141.06967	2.7
143.07030	28.3
143.08630	3.1
144.04790	9.6
145.10115	26.1
147.11732	5.5
149.09624	14.7
151.11162	3.8
157.10121	2.3
159.11713	6.5
161.08113	8.4
163.11252	3.6
173.13258	4.6
173.49913	2.3
187.11095	3.3
187.14868	5.3
192.27382	2.6
201.16411	21.8
211.14810	5.7
219.17442	3.4
229.15958	13.0
236.91571	2.3
247.13202	3.1
247.16933	41.4
265.14310	8.1
265.17999	27.4
265.24808	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	265.18
Annotation	Dehydrojuvabione
Peak:m/z	Relative Intensity
50.43719	0.9
53.03732	1.2
53.03949	13.1
55.01871	8.3
55.05511	6.1
65.03922	1.8
67.05163	1.9
67.05505	29.6
69.03420	1.1
69.07069	100.0
71.04980	3.1
79.05051	1.9
79.05495	31.5
81.02972	2.0
81.03417	31.7
81.04467	1.3
81.07056	37.9
83.04982	7.4
83.08601	2.2
85.06527	2.8
91.05477	22.3
93.07048	22.9
95.01321	5.4
95.04970	17.5
95.08607	7.6
97.02841	1.2
97.06525	14.7
104.99253	3.8
105.07028	12.8
107.04957	22.8
107.08590	23.2
107.96741	1.2
109.06523	23.2
109.10136	3.8
115.05472	1.3
117.06998	12.4
119.08562	3.9
121.06471	2.9
121.10153	14.8
122.07143	10.4
123.08079	1.8
123.11682	2.1
125.05949	2.4
129.07005	3.2
131.04932	2.0
131.08566	33.3
132.08936	1.1
133.06499	12.2
133.10114	9.0
135.08043	12.1
135.11664	1.1
144.04749	3.0
145.10124	5.8
147.16826	1.0
149.09618	56.1
150.09959	1.0
151.11177	12.2
159.08061	11.7
159.11742	1.9
161.13318	1.5
163.11143	1.5
165.09004	2.1
173.09633	1.1
177.09131	17.1
187.11203	1.9
191.10767	1.6
192.84355	1.4
195.10173	3.6
201.16371	2.7
213.11195	1.2
219.17419	3.9
229.15797	3.4
247.16911	9.5
261.36978	1.1
265.17984	16.3
265.21585	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	265.1799
Annotation	Flavalin C
Peak:m/z	Relative Intensity
50.87844	2.0
51.43539	1.7
53.03934	2.5
55.01868	4.7
55.05511	19.7
57.07064	2.7
59.04997	1.9
63.00153	1.8
67.05162	3.1
67.05505	56.6
67.14564	2.2
69.07069	33.4
70.52582	4.1
71.04971	3.0
73.06539	3.9
79.05490	85.5
81.03410	3.6
81.04523	2.9
81.07050	43.1
83.04980	4.4
83.08614	3.2
85.06551	2.8
91.05470	35.1
91.73775	1.7
93.07046	58.5
95.04961	7.8
95.08604	34.2
97.06516	11.1
104.99251	6.0
105.07028	23.6
106.99691	1.9
107.04946	23.2
107.08598	39.8
109.06541	4.4
109.10138	13.5
111.08070	3.2
117.07016	18.1
119.08579	29.4
121.06532	2.5
121.10136	17.9
122.07156	19.4
123.11703	7.6
125.05954	4.1
129.06984	5.3
131.02565	1.9
131.08566	40.5
133.10136	26.6
135.08096	5.6
135.11676	15.4
137.09651	2.3
141.09126	3.2
143.07024	30.2
144.04784	7.2
145.10130	31.1
145.51790	1.8
147.11717	4.9
149.09610	100.0
155.08487	2.4
157.10103	3.8
159.08061	1.9
159.11674	24.8
161.08060	10.7
163.11150	4.0
169.10010	2.1
173.13252	14.4
183.11717	1.8
185.13269	8.3
187.11208	4.1
187.14810	2.2
192.49513	2.0
201.16379	66.3
204.71036	1.8
205.12206	2.8
211.14932	4.5
229.15877	19.6
243.09027	2.2
247.13176	3.0
247.16980	17.9
265.14203	2.4
265.17938	10.8
265.21625	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	265.1798
Annotation	Speciosin K
Peak:m/z	Relative Intensity
53.03944	2.6
55.01872	7.5
55.05508	10.1
57.03425	1.3
65.03946	2.2
67.05157	2.4
67.05501	27.2
69.07069	54.3
71.04997	1.7
73.06543	5.5
74.96356	1.4
79.05493	52.0
81.03405	3.4
81.04534	2.8
81.07059	25.1
83.04990	3.5
83.08623	3.8
85.12394	1.3
91.05473	38.0
93.07041	28.3
95.04971	10.7
95.08599	24.6
95.36176	1.2
97.06526	20.4
105.07027	29.7
107.04950	5.9
107.08590	100.0
108.08942	3.0
109.06501	10.8
109.10176	6.7
115.07562	2.8
117.07029	11.5
119.06039	3.0
119.08584	18.8
121.06491	4.3
121.10149	10.2
122.07155	18.2
123.04453	1.8
123.08083	4.3
123.11697	1.9
125.05994	2.8
129.07033	2.8
131.08557	22.2
131.09470	1.9
133.10123	13.7
135.08067	6.2
135.11697	3.3
137.09630	3.1
141.06950	2.2
143.07037	26.4
143.08607	2.9
144.04791	5.2
145.10124	26.9
147.11685	5.7
149.09613	17.5
151.11189	3.7
157.10191	2.3
159.08028	2.0
159.11682	10.2
161.08107	9.1
161.09421	2.3
163.11188	4.9
166.93250	1.3
169.10143	4.1
171.11563	1.7
173.13275	4.5
175.11197	1.5
177.09113	3.8
183.11740	2.0
185.13333	3.1
187.11153	1.9
187.14873	2.3
191.10693	1.8
201.16380	25.9
211.14751	7.2
219.17413	3.6
229.15877	14.4
247.16931	48.1
265.14188	4.4
265.17987	29.5
265.20825	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.18
Annotation	Speciosin K
Peak:m/z	Relative Intensity
51.02376	3.1
53.03941	3.0
53.80860	1.9
55.01875	21.4
55.05509	26.9
57.03425	4.9
65.03930	2.7
66.79511	1.9
67.05161	3.9
67.05502	59.3
69.03423	6.6
69.07066	63.9
70.77089	3.0
71.04992	8.7
73.06559	3.5
79.05040	4.0
79.05489	62.9
79.05948	3.5
81.03407	10.2
81.07057	70.7
83.04967	10.4
83.08611	20.8
85.02918	2.5
85.06533	5.4
91.05477	50.9
93.07044	54.7
95.04969	25.3
95.08600	46.6
97.02895	4.4
97.06530	37.4
97.10147	3.1
99.04436	2.0
99.08089	6.1
103.05453	3.0
105.04549	2.3
105.07033	38.8
107.04947	20.7
107.08591	60.1
109.06510	21.3
109.10157	17.6
111.04476	2.6
111.08089	7.6
115.05463	4.7
115.07571	2.6
117.07015	29.3
119.08583	29.2
121.06513	11.1
121.10140	26.5
122.07153	13.0
123.08089	14.3
123.11713	3.3
125.05974	4.4
125.09621	6.0
129.06995	8.3
131.04892	2.4
131.08566	41.5
133.06485	8.8
133.10123	27.0
135.08055	28.4
135.11679	10.4
137.09615	15.9
141.06976	6.7
143.07048	15.8
143.08566	7.5
145.06488	13.1
145.10107	35.1
147.08060	4.8
147.11693	6.3
149.09615	60.2
149.13200	3.0
151.07545	5.4
151.11220	10.6
153.09096	6.9
155.08524	5.4
157.10109	4.6
159.08038	6.4
159.11687	16.5
161.08157	5.0
161.09627	8.8
161.13185	2.5
163.07561	3.1
163.11163	19.8
165.09109	7.2
167.07037	4.5
169.10098	9.7
173.05997	8.3
173.09637	4.2
173.13257	6.4
175.11194	4.9
175.14879	1.9
177.09138	4.9
177.12723	3.2
178.09789	2.1
179.10706	3.0
183.11671	4.3
185.13292	7.6
187.11229	11.4
187.14824	9.1
189.12605	2.4
190.06241	3.8
191.10756	2.3
201.16385	30.3
205.08572	5.9
205.12154	4.4
205.15799	2.3
211.14865	12.5
217.08582	4.5
219.10130	3.4
219.17418	19.5
229.15869	41.6
235.09647	2.0
237.18449	2.2
239.66234	2.2
247.09720	3.6
247.16924	100.0
248.16827	2.4
265.08466	5.0
265.15128	4.3
265.17963	55.3
265.24448	2.6
266.10236	2.1
268.51868	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	265.1798
Annotation	[S-[R*,S*-(E)]]-2-Methyl-6-(4-methyl-2-oxo-3-cyclohexen-1-yl)-2-heptenoic acid methyl ester
Peak:m/z	Relative Intensity
53.03931	6.5
54.19795	2.7
55.01873	7.2
55.05507	18.4
57.03431	3.2
65.03939	11.6
67.05504	65.3
69.02181	2.7
69.03437	3.4
69.07061	22.3
69.60157	3.1
69.80023	5.6
69.80350	5.8
71.04987	6.4
79.05476	32.9
81.03410	17.9
81.04539	5.1
81.07053	81.6
83.08598	8.1
91.05477	33.5
93.03394	7.2
93.07053	33.0
95.04969	22.1
95.08607	59.0
97.06516	5.9
104.99306	3.5
105.07030	16.7
107.04934	15.9
107.08595	22.4
109.06505	16.0
109.10162	33.6
111.08062	6.6
117.07017	10.5
119.08578	15.6
120.08051	3.1
121.02866	100.0
121.06508	9.4
121.10140	12.2
122.07153	48.3
123.08064	22.0
123.11707	12.5
125.05956	4.1
125.09643	5.2
129.07002	3.7
131.08592	17.6
132.57578	3.3
133.06557	4.3
133.10133	8.8
135.08043	15.8
135.11674	7.7
137.09616	12.6
143.08546	3.4
144.04739	11.4
145.10107	12.2
147.11685	3.7
149.05981	3.4
149.09624	17.3
151.07573	4.8
151.11174	5.1
159.11693	7.4
163.11218	5.3
164.10730	3.0
177.12711	4.1
187.14821	3.6
198.58311	3.4
201.12732	3.5
201.16374	8.8
207.21257	3.1
208.13657	4.4
219.13782	10.4
219.17361	7.6
221.23596	3.8
229.15921	7.7
237.18539	3.6
239.15440	3.3
247.13292	46.8
247.16954	21.8
265.14194	40.9
265.17953	53.4
265.21503	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	265.1799
Annotation	Speciosin K
Peak:m/z	Relative Intensity
52.17432	2.1
53.03944	3.8
55.01870	22.8
55.05511	24.6
57.03433	5.7
59.12869	2.2
67.05157	4.2
67.05504	62.7
67.05862	4.2
69.03413	6.3
69.07066	67.1
71.04977	7.5
71.90867	1.8
73.06538	3.4
73.22277	2.0
77.03946	2.5
78.53810	2.3
79.05496	65.2
81.03405	8.5
81.06573	3.6
81.07053	74.5
83.04992	10.0
83.08614	19.6
85.02874	2.5
85.06528	4.5
91.05476	52.7
93.07041	63.7
95.04965	25.5
95.08021	3.3
95.08602	46.7
97.02910	4.6
97.06525	34.1
97.10177	2.3
98.22621	5.4
99.08081	6.1
104.36646	2.3
105.07034	38.1
107.04951	25.3
107.08595	77.1
109.06515	22.2
109.10157	21.7
111.04459	2.6
111.08072	7.4
115.05465	4.2
117.07015	28.1
119.08584	30.3
121.06531	14.0
121.10141	24.6
122.07140	14.8
123.08087	17.8
123.11671	8.1
125.05998	3.5
125.09626	8.0
129.06963	8.9
131.08559	38.4
133.06497	6.9
133.10115	32.2
135.08038	33.5
135.11732	10.7
137.09604	17.1
139.07491	2.8
141.06969	9.5
143.07079	15.4
143.08540	8.0
144.04716	4.1
145.06473	13.7
145.10106	35.6
147.08034	6.0
147.11674	8.3
149.09616	62.7
151.07559	4.3
151.11160	15.0
153.09088	7.6
155.06021	3.0
155.08559	6.0
157.10135	2.8
159.08055	6.9
159.11691	19.3
161.08197	4.0
161.09601	7.3
161.13220	3.2
162.24484	2.2
163.11153	19.6
165.09108	6.9
167.07004	2.9
169.10161	13.6
171.11676	2.8
173.05997	8.1
173.09639	5.4
173.13303	5.1
175.14909	2.2
177.09074	5.1
177.16380	4.8
179.10699	3.7
183.11595	3.1
185.13231	5.8
187.07484	3.4
187.11201	14.4
187.14771	10.3
190.06226	2.4
191.14267	2.8
191.17911	2.9
201.12593	2.7
201.16367	26.7
203.14268	3.5
205.08611	8.6
205.12131	2.8
205.15895	3.3
211.14775	15.5
217.08598	2.9
219.17412	20.8
229.15849	48.3
247.09769	4.2
247.16914	100.0
248.77019	2.2
265.08569	6.5
265.15161	4.6
265.17969	66.2
265.24542	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2163
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03943	1.1
55.05507	9.6
57.07074	2.4
59.05008	0.8
65.03942	2.4
67.05501	100.0
69.03414	0.7
69.07059	8.7
71.04979	1.4
79.05487	12.5
81.07053	96.4
81.97562	0.6
82.07381	1.3
83.04977	1.0
83.08624	4.2
85.06552	1.5
91.05454	3.0
93.07047	11.6
95.05018	1.1
95.08602	91.8
96.08929	1.0
97.06538	0.9
97.10170	3.4
97.62509	0.6
103.09766	0.7
105.07015	3.7
107.08585	6.9
109.06520	1.0
109.10150	73.2
111.08094	0.8
113.43816	0.6
117.06998	1.5
119.08566	1.8
121.10136	7.4
122.07154	4.0
123.08112	1.3
123.11698	34.3
125.09636	0.8
127.07571	0.9
131.08537	3.3
133.10143	2.9
135.08073	1.0
135.11707	5.5
137.09622	1.0
137.13242	7.9
144.04819	0.9
145.10104	2.3
147.11702	2.9
149.09631	1.8
149.13272	3.6
151.11189	1.6
151.14815	1.5
159.11687	1.6
161.13298	0.9
163.11191	1.9
163.14803	1.1
165.12796	1.4
167.10710	1.3
173.13326	3.8
177.12787	2.3
181.12173	2.2
187.14801	1.8
191.14334	1.6
195.13797	2.8
196.32207	0.7
205.19466	1.1
209.15346	3.6
223.16870	1.6
229.19441	2.4
247.20612	4.3
265.00775	0.9
265.21619	70.8
266.22000	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	265.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.05507	9.6
57.07074	2.4
59.05008	0.8
65.03942	2.4
67.05501	100.0
69.03414	0.7
69.07059	8.7
71.04979	1.4
79.05487	12.5
81.07053	96.4
81.97562	0.6
82.07381	1.3
83.04977	1.0
83.08624	4.2
85.06552	1.5
91.05454	3.0
93.07047	11.6
95.05018	1.1
95.08602	91.8
96.08929	1.0
97.06538	0.9
97.10170	3.4
97.62509	0.6
103.09766	0.7
105.07015	3.7
107.08585	6.9
109.06520	1.0
109.10150	73.2
111.08094	0.8
113.43816	0.6
117.06998	1.5
119.08566	1.8
121.10136	7.4
122.07154	4.0
123.08112	1.3
123.11698	34.3
125.09636	0.8
127.07571	0.9
131.08537	3.3
133.10143	2.9
135.08073	1.0
135.11707	5.5
137.09622	1.0
137.13242	7.9
144.04819	0.9
145.10104	2.3
147.11702	2.9
149.09631	1.8
149.13272	3.6
151.11189	1.6
151.14815	1.5
159.11687	1.6
161.13298	0.9
163.11191	1.9
163.14803	1.1
165.12796	1.4
167.10710	1.3
173.13326	3.8
177.12787	2.3
181.12173	2.2
187.14801	1.8
191.14334	1.6
195.13797	2.8
196.32207	0.7
205.19466	1.1
209.15346	3.6
223.16870	1.6
229.19441	2.4
247.20612	4.3
265.00775	0.9
265.21619	70.8
266.22000	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	266.0363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62012	0.2
55.76352	0.1
56.96577	0.2
62.98447	0.2
65.87449	0.1
72.08154	0.4
74.50448	0.2
82.99860	0.6
85.02915	0.2
86.06068	0.3
86.09680	0.2
87.04501	0.2
87.95793	0.2
98.97570	1.0
99.24285	0.1
101.00880	5.4
104.10757	0.3
107.04922	0.2
116.98746	0.5
119.01920	7.9
120.02029	0.3
122.07174	0.4
123.05565	0.5
123.07516	0.2
130.05020	0.3
134.99910	0.8
137.02977	0.9
138.09120	0.4
138.93831	0.2
140.98851	1.1
144.04774	0.6
158.99898	3.7
159.09956	0.2
165.99622	0.2
175.03021	0.4
177.00951	18.5
178.01025	0.9
182.99841	1.1
199.03036	0.3
201.00958	3.4
209.79549	0.2
217.04074	3.1
219.02010	23.3
220.02118	1.4
225.00848	2.0
225.04263	0.2
234.00780	0.2
243.01996	13.2
244.02274	0.9
258.28168	0.2
261.03061	100.0
262.03214	5.2
263.03494	0.5
266.03296	0.2
266.06064	0.2
266.16049	0.4
275.04596	0.2
284.04596	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1024
Annotation	Nigerloxin
Peak:m/z	Relative Intensity
57.57133	0.3
65.03925	0.5
67.05503	0.5
71.01323	0.3
79.05486	0.4
81.03400	0.6
81.07018	0.4
85.02901	0.6
85.06516	1.0
86.06858	0.4
87.04472	0.4
91.05479	4.0
95.04955	2.1
105.07030	0.9
106.36477	0.3
107.04933	0.6
109.02877	0.6
111.04437	0.4
116.05003	1.6
117.05760	3.0
117.07039	0.4
118.06541	10.3
119.08548	0.3
123.04400	0.7
129.07022	0.4
131.04895	0.5
132.08073	0.3
133.06451	0.7
134.06038	0.7
134.09663	1.6
135.04398	0.7
136.07573	0.6
139.03844	0.4
144.04449	5.0
144.08098	0.5
146.06000	32.9
147.06319	0.6
147.08043	0.8
149.05894	0.4
151.03871	2.0
157.06438	0.5
159.04376	0.3
160.07558	3.4
161.08304	0.5
162.05516	3.5
162.09117	1.9
172.03897	1.6
175.07539	0.9
176.07056	2.4
177.05486	0.3
178.08621	38.8
179.08972	0.4
188.07062	6.1
190.04990	1.7
190.08626	5.7
193.08603	1.3
203.06946	0.5
204.06508	1.1
204.10225	0.7
206.08119	7.0
206.09972	0.5
216.06548	3.5
220.09673	14.3
221.08145	1.2
221.10086	0.4
221.47202	0.4
222.11238	63.8
223.11623	1.6
234.07608	4.7
248.09190	7.6
249.07480	0.6
266.10220	100.0
267.08105	0.5
267.10556	2.4
270.36917	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1388
Annotation	Anisomycin
Peak:m/z	Relative Intensity
54.89908	0.4
58.13311	0.5
66.34800	0.5
69.59187	0.5
69.59514	1.9
85.02918	1.1
86.06064	0.8
87.04465	41.8
87.08090	0.6
89.40021	0.5
90.06228	0.4
97.02892	0.6
98.22678	0.6
98.97557	0.6
118.06490	0.9
120.08101	100.0
121.06479	0.5
121.08451	1.6
122.22481	0.4
148.07523	2.4
165.49100	0.5
180.10226	1.1
180.96335	0.5
191.06787	1.8
204.52275	0.6
206.11758	69.0
207.12076	1.2
219.28189	0.6
220.13297	1.7
234.11237	2.0
242.84430	0.6
266.13864	86.8
267.14163	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	267.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02027	2.9
56.96559	5.2
57.03447	3.5
59.65128	3.4
67.05514	3.3
71.43863	4.6
72.08144	7.1
78.95632	18.3
81.04543	4.9
85.02908	11.7
87.04465	12.4
87.08116	4.7
87.16010	3.5
92.69748	2.8
94.06561	6.4
98.98437	4.3
101.00916	3.1
104.10732	15.8
105.11102	3.4
117.77840	3.2
118.06552	3.8
119.01915	4.6
120.08129	6.5
122.06010	3.7
130.05022	7.7
132.25378	3.9
136.06183	100.0
137.70491	3.9
138.09128	8.8
146.06056	4.8
150.05499	29.1
160.96104	5.7
163.03920	3.5
164.07045	7.9
178.01033	6.1
178.08609	8.4
182.08107	8.5
205.10933	5.8
220.02136	11.9
244.02193	5.7
250.10666	7.6
262.03198	50.1
262.05716	4.9
263.02881	8.7
266.15961	12.4
267.02542	4.5
267.10883	18.6
267.13635	7.7
267.16464	12.8
268.11865	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	267.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
53.47431	1.0
55.01859	1.4
56.96552	2.8
57.03430	4.2
61.02930	8.1
67.05463	1.6
69.03427	17.0
69.07069	21.6
71.01350	1.3
71.04984	1.7
72.08154	8.7
73.02908	2.2
79.05499	1.3
81.03414	9.2
82.18904	1.1
85.02904	98.5
87.04444	2.2
87.08105	100.0
91.03932	3.8
91.05482	2.3
95.04968	3.6
97.02890	17.6
98.97580	4.4
99.04462	2.2
103.03954	1.4
105.04517	1.4
107.04951	4.2
109.02898	9.0
110.97561	1.3
111.72539	1.1
116.98617	2.8
120.08080	2.4
121.06560	1.9
122.07196	1.4
124.03966	1.1
127.03908	16.4
131.04898	1.3
134.99623	2.2
135.04416	1.6
136.06178	2.4
141.59268	1.1
145.04935	13.5
147.08057	2.2
151.03923	3.6
163.06075	1.6
167.07053	1.2
175.07452	1.6
181.01761	1.5
191.06795	9.0
193.08684	1.1
196.09602	3.3
199.02744	1.4
205.08389	4.3
207.12079	1.6
219.63866	1.1
221.08185	1.4
225.04327	1.1
235.05827	1.7
235.14413	2.1
236.09282	2.2
249.12241	1.3
267.08514	1.4
267.14401	2.2
267.17047	6.7
268.11795	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	267.1592
Annotation	Curvularol
Peak:m/z	Relative Intensity
51.83721	1.2
53.03938	4.3
54.59174	1.1
55.01858	4.4
55.05257	2.4
55.05510	31.4
57.03436	29.4
59.05021	1.2
62.06077	1.8
65.03934	2.4
67.05502	59.2
67.65399	1.5
69.03407	1.9
69.07065	13.1
69.57484	2.3
69.57871	2.5
71.04986	4.1
77.03911	2.3
79.05491	65.3
81.03413	22.9
81.07053	55.5
83.04977	52.3
83.08624	9.4
85.06526	2.1
91.05478	100.0
93.07041	36.1
93.21230	1.2
95.04962	18.5
95.08600	20.7
95.43280	1.1
97.02899	6.2
97.06519	9.1
97.10170	3.1
99.08069	6.2
101.05983	1.3
105.04488	3.1
105.07026	54.6
107.04955	38.2
107.08586	7.5
109.06493	7.0
109.10133	4.1
111.08069	2.6
113.06019	1.6
115.05440	3.0
117.07013	4.6
119.08581	34.8
121.06445	1.5
121.10151	5.9
123.08082	1.6
127.07548	3.0
128.06261	1.5
129.07008	15.3
131.08574	16.3
133.06514	2.8
133.10118	36.6
135.11668	1.4
141.07094	1.3
142.07751	4.7
143.08644	1.3
145.10100	10.5
147.08054	6.0
147.11682	32.9
149.09595	4.7
157.10117	25.9
161.09630	1.8
163.11176	17.3
165.12724	1.7
175.11179	25.3
193.12247	15.0
250.18077	2.8
267.10095	1.6
267.13635	2.0
267.15903	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Grangolide
Peak:m/z	Relative Intensity
52.53106	2.5
53.03954	4.5
55.01878	3.8
55.05503	6.2
56.30210	2.8
57.03447	15.0
59.04977	3.4
61.02922	28.4
67.05507	30.0
69.03424	36.2
69.07075	8.4
69.29350	4.9
69.29755	10.4
71.04994	3.3
73.02896	4.3
77.03923	2.8
79.05479	20.4
81.03434	14.0
81.07054	35.0
83.04974	9.4
85.02911	23.4
87.04465	19.7
89.44860	2.6
91.03969	12.4
91.05473	30.8
93.07041	57.0
95.04968	18.1
95.08617	17.1
97.02898	35.2
97.06547	4.7
98.23586	3.4
105.04560	3.1
105.07032	57.5
107.08604	36.2
109.06495	12.9
109.10167	26.2
111.04456	14.9
115.03934	12.4
117.07036	14.1
119.08566	35.9
121.06507	9.3
121.09270	4.5
121.10148	94.7
122.10443	2.8
123.04424	3.3
123.08021	3.4
123.11713	9.0
128.06219	6.6
129.06989	9.7
131.08562	20.9
133.04985	10.9
133.06506	6.9
133.07678	2.5
133.10120	45.5
135.08078	5.9
135.11684	33.4
137.09590	7.5
142.07796	3.6
143.08578	12.2
144.09300	3.2
145.06427	4.8
145.10146	13.2
147.06442	3.2
147.08043	6.3
147.11696	31.2
149.09605	3.7
149.13272	9.1
151.11169	3.6
155.08606	3.1
156.09442	3.6
157.10136	11.0
157.58424	2.7
158.29442	2.8
159.06662	4.0
159.08072	8.1
159.11728	18.7
161.09619	6.0
164.07051	24.7
171.08072	4.4
173.13281	4.1
175.07610	2.7
175.11172	15.7
177.12769	42.8
185.13370	4.4
201.12799	7.9
203.14343	3.7
208.09689	100.0
209.10437	16.8
213.12759	4.5
219.13882	14.5
223.11624	5.3
226.10721	8.1
231.13829	19.3
249.11238	7.8
249.14861	26.7
267.10635	8.6
267.15857	87.8
268.11844	24.2
268.16269	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	(+)-5(6)-Dihydro-6-hydroxyterrecyclic acid A
Peak:m/z	Relative Intensity
53.03941	2.5
55.01854	3.4
55.05506	9.4
56.21026	2.5
57.03439	13.7
59.04992	5.8
61.02684	2.3
61.02923	27.4
61.71919	2.0
63.28401	2.2
67.05504	24.4
69.03425	42.7
69.07063	12.2
69.12379	15.6
69.94825	2.9
71.04966	3.6
73.02898	5.8
77.03960	3.3
78.28200	2.1
79.05490	28.9
81.03417	15.1
81.07059	41.3
83.04972	11.2
83.08596	3.5
85.02890	25.5
87.04469	23.5
91.03942	18.8
91.05472	27.7
93.07037	71.0
94.07360	2.4
95.04975	19.8
95.08612	18.6
97.02892	35.1
97.06541	4.3
99.04462	5.4
103.05466	3.3
105.06352	4.1
105.07024	64.2
107.04937	3.5
107.08588	43.0
109.06519	13.2
109.10150	30.7
111.04431	10.8
111.08099	2.4
113.06024	2.5
115.03930	19.3
115.05362	3.9
117.06981	11.9
119.08586	37.3
121.06501	12.1
121.09257	5.1
121.10136	87.4
123.08048	5.9
123.11705	11.1
125.06033	3.2
128.06139	2.2
129.05458	3.0
129.07008	11.9
131.08562	21.7
133.04965	13.0
133.06479	7.1
133.10132	55.3
135.08054	10.2
135.11691	46.2
137.05971	5.3
137.09612	8.3
139.07544	3.6
141.06996	2.3
143.08563	15.4
144.09311	5.5
145.06433	2.9
145.10091	18.0
147.08058	4.2
147.11682	39.8
149.09650	2.9
149.13271	14.7
151.11168	3.1
155.07060	2.6
155.08461	4.6
157.10115	11.7
159.06483	2.9
159.08018	4.5
159.11684	23.8
161.09615	6.5
163.07584	3.1
163.11171	4.7
164.07056	5.9
170.16896	2.2
171.11626	4.4
173.08153	5.7
173.09612	5.9
173.13222	6.3
175.07663	2.5
175.11232	17.3
175.14801	3.7
177.11295	4.6
177.12744	54.1
183.11656	3.7
185.13252	6.8
195.11649	3.1
201.12776	13.4
203.14314	7.7
207.13718	2.9
208.09647	21.2
209.10451	3.9
213.12741	7.8
218.12865	2.7
218.86972	2.5
219.13786	16.6
231.13826	18.6
243.56372	2.8
249.14836	19.6
267.15900	100.0
268.11734	3.9
268.16388	4.3
272.72357	2.5
283.16550	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	267.1594
Annotation	Curvularol
Peak:m/z	Relative Intensity
50.73298	1.2
53.03946	3.9
53.29947	1.4
53.93388	1.4
55.01869	6.0
55.05260	1.7
55.05512	26.4
55.49647	1.4
57.03436	39.6
57.07065	2.5
59.04988	1.6
65.03938	4.4
67.05506	79.1
69.03419	3.3
69.07066	20.5
71.01353	1.6
71.04977	5.5
71.08631	1.9
72.08141	7.5
73.06520	1.6
73.36380	1.2
74.46950	1.3
77.03909	2.1
77.44733	1.4
79.05492	72.2
81.03423	26.6
81.07057	67.0
83.04979	53.3
83.08607	10.2
85.02876	2.2
85.06527	4.5
87.04462	1.7
91.05480	100.0
92.05787	1.9
93.07045	45.6
95.04968	27.0
95.08600	28.9
97.02898	2.5
97.06516	7.1
97.10175	4.4
98.98439	2.6
99.04469	1.9
99.08080	3.3
103.03963	2.0
105.07031	59.1
107.04950	19.1
107.08588	13.0
109.06525	9.5
109.10166	6.0
111.08070	4.2
115.05471	3.3
117.07008	4.4
119.08575	36.1
121.06509	2.8
121.10169	7.6
122.07184	1.7
123.11710	2.3
125.09673	1.9
127.07536	3.4
128.06171	2.1
129.06999	20.5
131.08580	21.1
133.06537	1.5
133.10123	46.5
135.11693	2.7
136.06174	3.4
137.09608	3.1
142.07787	3.8
145.10155	6.5
147.08069	5.8
147.11679	28.2
149.09627	7.3
149.13403	1.5
151.07550	1.7
155.08539	1.6
157.10098	25.8
163.11151	5.8
165.12762	1.9
173.05983	1.9
175.11194	22.2
193.12236	14.7
208.09790	1.7
249.14832	1.9
249.18463	2.0
250.18005	2.6
262.32251	1.4
267.10110	2.5
267.13638	2.9
267.15933	51.2
267.21036	2.4
268.16299	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1956
Annotation	Juvenile hormone III
Peak:m/z	Relative Intensity
51.01091	3.2
53.03939	4.1
55.01864	3.9
55.05504	27.2
57.03442	4.1
57.07056	3.5
59.04992	3.2
67.05161	5.6
67.05507	91.7
69.07074	29.2
69.98504	11.8
71.04636	6.5
71.04996	86.2
71.08634	27.0
71.82320	3.2
72.08150	15.2
77.07800	3.2
79.05043	6.5
79.05497	100.0
81.03409	11.3
81.07059	86.9
83.04986	10.9
83.08613	15.0
85.06559	8.6
91.05480	73.4
93.07043	99.7
95.04983	19.8
95.08608	47.2
95.57618	3.1
96.08918	3.3
97.06531	29.3
98.98489	5.0
99.08096	25.4
104.99252	4.4
105.04534	5.5
105.07027	42.0
107.04960	5.5
107.08601	57.0
109.06499	9.4
109.10152	17.5
111.08087	24.1
113.78043	3.1
117.07030	27.8
119.08591	31.3
121.06529	8.0
121.10152	66.3
123.08073	7.1
123.11691	7.9
125.09637	11.8
129.06996	8.2
131.08559	25.0
133.10141	31.6
135.08058	13.4
135.11723	16.9
136.06166	5.5
137.09616	4.9
143.08492	4.8
145.10132	7.5
147.11679	11.4
149.09651	4.1
151.11192	26.8
157.10118	9.6
161.09668	5.0
171.11705	4.9
175.11150	4.4
175.14828	5.9
178.02386	3.0
189.16386	7.0
196.09645	4.7
199.14824	14.2
207.17526	3.9
217.15892	7.8
231.17542	3.8
235.16930	33.8
249.18588	12.5
267.19571	31.7
267.24100	6.3
270.29730	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	267.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85581	0.6
55.01862	0.8
55.05509	7.4
57.03435	2.9
57.07075	1.2
59.09717	0.5
64.93583	0.5
65.46420	0.4
67.05157	0.8
67.05501	11.8
69.07063	7.6
69.67448	1.7
70.75175	0.4
71.04984	1.7
71.08620	0.7
71.15349	0.5
74.23380	0.5
79.05486	4.5
81.07055	13.9
81.07803	0.5
83.04968	0.8
83.08622	7.5
85.06541	2.4
88.99061	0.5
91.05482	2.7
93.07040	8.9
95.04970	2.1
95.08597	14.8
97.06548	3.0
97.10149	2.2
98.22733	0.7
98.98450	0.9
99.04452	40.6
99.08068	0.8
104.99289	0.8
105.07024	2.6
107.08588	6.0
109.06520	2.8
109.10144	6.9
111.08096	4.8
117.07016	0.7
119.08585	1.9
121.10156	4.2
123.08069	0.8
123.11720	2.7
125.09585	0.5
127.07626	0.5
131.08556	0.7
133.10106	3.0
135.11674	1.5
137.09624	0.6
144.41206	0.5
147.11667	1.5
149.13235	3.4
159.11690	1.4
161.13228	0.7
177.12778	0.6
178.66014	0.5
179.13171	0.5
189.16393	2.2
195.13837	1.4
197.19087	0.8
203.17932	0.5
207.17403	1.9
211.16878	0.6
221.19095	0.9
225.18484	100.0
226.18864	2.0
239.20120	0.9
243.19510	5.5
249.18491	6.6
267.19614	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	267.1956
Annotation	tetranor-12(S)-HETE
Peak:m/z	Relative Intensity
53.03940	2.1
55.01870	1.9
55.05506	8.8
57.03418	1.8
57.07067	3.1
67.05505	13.2
69.03425	1.6
69.07054	5.2
71.04989	2.2
71.08630	100.0
72.08150	2.9
79.05476	6.6
81.03410	7.2
81.06620	1.5
81.07052	11.7
83.04976	5.1
83.08619	5.9
83.80880	1.2
85.06544	1.4
87.04519	1.0
89.06026	1.4
91.05479	14.3
93.07021	6.7
94.60943	1.2
95.04954	4.7
95.08601	4.6
97.06536	1.7
98.98456	2.3
99.08090	90.6
104.99269	3.3
105.03393	16.2
105.04487	1.3
105.07021	4.1
107.04945	13.6
107.08599	3.3
109.06546	2.4
109.10134	3.3
118.86450	0.9
119.08595	1.5
121.10114	2.2
122.07155	1.3
129.07010	2.9
131.08560	1.9
133.10115	8.7
135.08037	7.7
136.06183	2.5
137.09613	4.0
149.05981	22.6
149.09615	24.9
151.10028	2.2
151.11185	25.7
161.09622	7.4
165.12886	1.2
167.10695	4.0
175.06540	1.1
193.19281	1.2
203.17949	2.4
213.46985	1.2
214.48720	1.2
220.86388	1.2
221.19133	1.7
231.17419	5.2
249.18468	11.6
267.19708	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	267.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.4
55.05296	0.7
55.05510	8.1
57.03444	2.9
57.07069	1.1
67.05510	13.2
69.03440	0.6
69.07073	9.2
71.04988	1.4
72.08139	0.9
79.05502	5.4
80.58109	0.5
81.07061	16.9
83.04971	1.4
83.08629	7.5
85.06542	2.9
91.05492	2.8
93.07050	8.4
95.04970	2.6
95.08025	1.1
95.08607	16.7
95.09214	0.8
97.06540	2.8
97.10166	2.1
98.98467	1.8
99.04460	45.0
99.08083	1.3
100.03785	0.6
104.99287	1.0
105.07052	3.4
107.08593	6.5
109.06512	2.7
109.10156	9.0
111.08088	4.1
111.11770	0.7
119.08559	2.7
121.10143	3.9
123.08060	1.6
123.11732	2.5
125.09666	1.0
131.08560	1.0
133.10127	2.7
135.11688	1.7
136.06157	0.9
137.09552	0.7
147.11699	1.8
149.13255	3.8
159.11707	1.2
161.13284	0.7
167.14319	0.6
167.50854	0.6
177.12657	0.6
189.16374	1.9
195.13809	1.6
198.45712	0.6
206.23706	0.7
207.17491	1.7
222.02502	0.6
225.18498	100.0
226.18823	1.8
231.15817	0.7
239.20073	0.8
243.19572	7.3
249.18498	7.7
267.19632	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	268.1041
Annotation	Adenosine
Peak:m/z	Relative Intensity
57.03434	0.2
60.87639	0.2
69.03422	0.7
70.94494	0.3
71.04987	0.6
71.60955	0.2
82.20901	0.2
85.02906	1.2
87.04464	4.3
89.06020	1.2
94.04054	0.2
97.02879	0.3
107.18438	0.3
108.08150	0.3
115.03922	0.2
119.03569	0.9
120.08093	0.6
136.06183	100.0
137.06491	0.7
138.09125	1.0
146.06020	0.9
146.09673	0.3
152.07082	0.3
160.07571	0.3
164.07066	2.8
178.08641	0.9
182.08125	2.7
192.10257	0.3
196.09618	0.3
199.57654	0.2
208.09734	1.2
222.11404	0.2
236.09157	0.5
250.10767	0.6
263.02866	0.4
268.11694	12.3
268.98154	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1041
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01879	0.2
57.03452	0.5
58.67478	0.1
69.03429	0.2
70.70365	0.2
73.02911	0.3
85.02913	0.5
87.80373	0.1
89.06038	0.2
91.83556	0.1
94.04066	0.4
97.02936	0.2
105.20008	0.1
119.03547	0.8
136.06186	100.0
137.04588	0.4
137.06644	0.8
233.17926	0.2
245.51781	0.1
263.02939	0.3
268.10361	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	268.118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01809	0.5
55.02048	0.2
57.03359	0.7
63.83766	0.2
69.03373	0.3
69.81004	0.7
71.04933	0.5
73.02863	0.3
76.43963	0.2
85.02893	1.4
87.04469	4.8
89.06034	1.0
94.04045	0.3
98.22736	0.3
98.97565	0.3
108.08090	0.4
118.06508	0.4
119.03526	0.8
120.08072	0.8
124.07542	0.2
136.06184	100.0
137.04675	0.4
137.06509	0.8
138.09161	1.5
139.67099	0.2
146.06038	0.6
146.09688	0.3
160.07628	0.3
164.07065	3.3
164.08278	0.2
178.08708	0.8
182.08125	4.0
192.10304	0.5
208.09714	1.0
222.11478	0.2
224.09297	0.3
236.09404	0.3
238.72757	0.2
250.11017	0.6
268.12119	15.7
269.12402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1181
Annotation	2-Hydroxyethyl gardenamide A
Peak:m/z	Relative Intensity
54.74696	0.3
68.52875	0.3
69.56493	1.2
88.57524	0.2
91.05496	1.0
94.06552	0.3
117.05772	1.2
118.06546	3.2
120.04413	0.2
120.08092	0.8
134.09720	0.6
136.07539	0.7
144.08075	1.5
146.06009	10.6
146.07175	0.5
148.03975	0.4
152.07057	0.3
162.05560	0.3
164.07037	2.4
166.08673	0.3
178.08630	15.9
180.06577	1.7
190.08643	1.2
196.09703	5.8
199.16769	0.3
204.10229	0.5
205.10893	0.4
208.09726	0.9
218.08128	4.4
222.11250	1.1
223.12083	0.5
236.09180	5.1
238.07112	0.8
250.10750	20.7
251.11221	0.6
252.08731	0.5
253.09473	1.4
268.11789	100.0
269.12146	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	268.1181
Annotation	Mortivinacin B
Peak:m/z	Relative Intensity
57.39656	0.2
64.76201	0.2
78.10467	0.2
97.03500	0.3
98.23456	0.4
104.04926	0.3
120.08067	0.7
122.05993	0.5
124.03939	0.3
132.04440	0.8
134.05981	0.5
150.05463	0.8
151.09923	0.5
164.07069	25.1
165.07698	0.9
166.08638	2.0
174.01776	0.2
179.09404	0.3
181.07320	1.5
182.08124	2.6
183.09001	0.3
194.08133	3.7
208.09686	100.0
209.10452	19.2
210.10760	0.3
213.06285	0.4
222.11267	0.5
224.09178	0.6
226.10733	9.5
236.09146	0.2
259.84616	0.2
268.11798	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	268.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57195	0.4
52.81090	0.4
59.04998	1.2
65.03946	0.6
67.05508	0.9
71.04996	0.8
72.04507	1.4
74.53233	0.5
77.03928	0.5
79.05493	2.7
80.05016	0.6
91.05480	2.4
92.04990	0.8
93.07041	0.7
94.02940	1.6
94.06546	1.2
95.04969	1.0
96.04449	0.5
96.08583	0.4
103.05476	3.5
105.03393	0.6
106.02925	1.0
107.04969	2.3
109.05229	0.5
110.06064	0.8
118.06521	0.6
120.04449	0.8
120.08104	6.5
121.06534	0.8
122.02346	0.5
122.06020	3.0
123.03136	0.8
124.03924	1.0
124.07628	0.5
126.05504	1.0
127.45473	0.5
131.04935	1.2
133.05266	0.5
134.05934	0.5
136.03915	2.1
136.06186	1.0
137.04730	2.9
138.05518	4.1
140.07048	1.3
148.07570	11.1
149.08372	5.2
150.05479	0.9
150.09142	1.0
151.06317	0.7
152.07082	3.3
154.05019	2.4
164.07039	3.0
165.07846	3.2
166.04994	19.6
176.07094	2.5
179.07083	1.0
180.06558	44.7
181.06863	0.8
182.08098	0.7
192.06624	0.7
193.07330	0.5
194.08127	53.8
206.08107	1.3
208.09691	100.0
209.10120	2.1
226.10742	0.8
236.09184	19.5
242.80785	0.5
250.08267	1.0
250.10756	14.8
268.11557	2.1
268.13428	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	268.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66644	0.2
56.49823	0.2
69.65750	0.8
87.04478	0.3
91.05488	0.8
98.23384	0.3
108.05882	0.2
108.08107	0.3
110.40229	0.2
117.05768	1.3
118.06548	2.9
120.08095	0.8
120.26920	0.2
120.41037	0.2
130.06444	0.2
134.09613	0.4
136.06219	0.6
136.07570	0.9
144.08121	1.2
145.08771	0.2
146.06000	10.7
148.03958	0.6
162.09099	0.2
164.07062	2.6
166.08647	0.6
169.61095	0.3
178.08621	14.2
179.09096	0.3
180.06593	1.5
180.10097	0.3
181.07309	0.3
186.43045	0.2
190.08604	1.3
192.07117	0.5
194.11774	0.4
195.08893	0.2
196.09680	5.6
200.13879	0.2
204.10202	0.6
205.11024	0.5
208.09650	0.8
208.12347	0.3
210.11328	0.3
218.08109	4.0
222.11211	1.4
223.12004	0.6
224.09166	0.3
236.09184	5.2
237.09818	0.4
238.07098	0.9
238.10664	0.4
250.10733	21.4
251.11082	0.4
252.08530	0.3
253.09476	1.3
268.11777	100.0
269.12073	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	268.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93735	0.7
53.03938	1.2
55.01876	1.7
55.05290	0.9
55.05513	9.1
56.05845	0.7
57.03445	4.4
58.03756	0.8
62.06090	89.8
64.58511	0.7
65.03938	0.9
67.05163	1.4
67.05505	20.7
68.05820	2.0
69.07068	5.0
71.04996	0.9
73.02921	0.9
77.06948	0.7
79.05494	19.7
79.59702	0.6
80.05831	3.6
81.03423	4.3
81.07056	18.1
82.03745	1.0
82.07401	3.5
83.04981	10.8
83.08616	2.5
84.05305	3.0
85.06565	1.2
86.06055	0.7
90.03696	0.6
91.05481	21.1
92.05811	7.5
93.07047	13.3
94.07380	2.8
95.04972	7.2
95.08607	9.4
96.05297	2.0
96.08899	1.2
97.06538	2.7
97.10170	0.9
98.06058	2.5
99.04424	0.9
105.07037	13.6
106.06725	0.7
106.07354	3.9
106.40767	0.7
107.04962	4.3
107.08586	4.7
108.05312	2.0
108.08115	0.8
108.08904	1.0
109.06541	1.8
109.10127	1.8
110.09704	0.7
111.08058	1.2
117.07026	3.4
119.08578	7.7
120.08907	3.1
121.10163	1.7
122.10485	0.9
123.08065	1.4
127.07571	1.1
128.48515	0.7
129.06989	3.7
130.07333	1.4
131.08539	2.2
132.08894	1.7
133.10127	4.6
134.10464	2.3
135.11661	1.6
136.06149	4.1
143.08569	2.4
145.10149	3.8
146.10425	0.8
147.07991	0.8
147.11697	10.0
148.12042	2.4
149.13293	1.0
158.10461	1.6
159.11746	2.0
161.13243	3.1
163.11263	1.7
164.11523	1.7
171.11696	7.0
176.11511	2.4
189.12752	7.4
194.12532	1.3
207.13809	1.8
208.09639	3.2
211.14893	0.7
222.18509	4.3
232.17003	1.4
250.18030	100.0
251.16281	5.7
251.18138	1.0
268.10947	0.7
268.16214	5.8
268.19092	6.5
269.08273	0.7
269.17468	2.6
269.22568	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54343	2.7
53.03946	4.1
55.01875	6.3
55.05518	2.5
61.13981	2.6
65.03947	6.4
67.05529	3.8
69.03431	5.4
69.17270	5.8
69.17674	12.6
77.03928	4.2
79.05495	12.5
81.07053	7.9
83.62155	2.3
85.52699	2.5
91.05483	22.6
91.56534	2.5
93.03365	4.0
93.07050	16.0
94.37981	2.7
95.04972	47.9
95.08605	4.9
97.02900	9.0
98.22720	5.8
103.05460	9.1
104.86360	2.4
105.04533	4.3
105.07017	12.2
107.04955	43.9
107.08607	11.8
109.06506	5.5
111.04459	9.3
115.05453	20.9
117.07014	67.4
119.08582	3.5
121.02844	21.4
121.06516	26.5
123.04428	28.2
123.08045	4.7
125.02360	7.4
125.05994	2.8
128.06229	4.4
129.07039	5.2
131.04912	15.4
133.06497	6.9
135.08073	22.6
135.11670	3.1
139.03894	12.2
145.05345	4.5
145.06482	67.8
145.07579	4.5
147.04396	6.9
147.07986	6.7
149.02373	7.2
149.05980	22.7
151.03894	6.0
153.05473	5.7
155.04922	2.9
155.06079	7.2
159.04434	12.3
159.11774	2.8
161.05968	3.3
163.07549	53.5
163.11186	3.3
165.05513	4.8
167.03375	20.8
167.07043	2.7
173.05966	47.2
173.13240	2.7
175.03870	13.0
175.07545	7.1
177.05453	15.2
185.04491	8.5
189.05499	3.4
191.07036	100.0
191.10715	3.3
199.06024	5.9
201.05478	5.5
205.08566	20.2
209.08130	7.7
209.09909	4.6
219.06532	40.3
223.09691	4.3
237.07529	22.0
251.09334	3.8
269.08005	5.5
276.22427	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	269.1127
Annotation	Musk ambrette
Peak:m/z	Relative Intensity
50.34123	0.3
55.05500	0.7
57.03434	0.8
67.05500	2.4
69.07063	1.1
69.29749	1.5
71.04997	0.4
79.05502	1.1
81.07056	2.8
83.04973	0.4
83.08626	0.3
91.05476	0.8
93.07055	2.4
95.08604	1.3
98.23444	0.7
104.99305	0.4
105.06997	0.5
107.08582	0.8
109.10147	0.4
111.08124	0.4
121.10116	0.6
131.08589	0.5
135.11641	0.5
149.13243	0.9
158.29050	0.3
159.11700	0.7
177.12801	0.4
190.28380	0.3
195.13773	0.6
242.57823	0.3
269.11237	100.0
270.11694	1.8
289.27271	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44337	5.3
54.14799	6.3
55.01868	7.5
55.05501	17.9
57.03453	14.7
59.05003	7.0
67.05501	71.5
69.03423	10.5
69.07070	42.6
69.16073	32.4
69.16483	11.1
71.04978	18.7
77.03914	9.4
79.05491	46.0
81.07054	100.0
83.04966	25.9
83.08627	14.3
85.02888	13.2
85.06528	12.6
91.05495	38.8
91.07232	5.9
93.07040	75.2
95.04965	13.3
95.08606	46.4
97.06516	36.4
99.04465	8.0
99.08070	6.0
105.07021	45.1
107.04955	7.2
107.08576	53.1
109.06510	29.1
109.10133	13.0
111.08056	14.4
116.40375	5.6
117.07005	23.4
118.14178	6.3
119.04944	14.0
119.08594	25.3
121.06514	22.7
121.10118	24.5
125.05958	34.8
127.07542	9.6
131.08565	25.8
133.10126	25.0
135.07977	7.2
135.11685	17.4
137.05959	8.7
137.09634	5.9
139.07558	9.2
143.07008	13.4
143.08557	10.8
144.09322	8.3
145.06561	10.3
145.10127	60.7
147.11682	17.7
149.13251	28.9
149.62444	6.3
157.08533	8.0
157.10094	10.2
159.11679	48.1
161.13248	10.5
163.11194	34.9
167.49161	6.4
169.10085	7.9
173.09607	18.8
177.12706	13.1
185.13300	8.4
187.11095	31.7
191.10683	19.4
195.13768	7.2
197.09647	12.2
205.12294	28.5
215.10666	33.9
215.17987	6.5
233.11687	13.8
241.08647	7.7
251.12546	40.8
251.20050	13.1
269.08044	24.1
269.13812	47.1
269.17484	28.6
269.22693	32.8
293.76379	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	269.1749
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03944	1.9
55.01866	3.6
55.05261	1.3
55.05511	19.9
55.88882	1.0
57.03438	31.2
57.07071	2.7
58.34453	1.0
59.05000	1.0
61.89890	0.9
62.17416	1.0
65.03947	1.9
67.05505	79.5
69.03432	1.4
69.06712	2.0
69.07069	27.9
69.09163	2.1
69.09574	4.9
71.04987	7.8
73.02924	1.4
79.05493	43.7
81.03424	2.8
81.07056	100.0
83.04990	6.7
83.08620	18.9
85.02910	1.1
85.06544	7.0
87.04454	1.4
91.05481	26.4
93.07045	71.9
95.04977	9.6
95.08022	2.0
95.08606	29.2
97.06535	17.6
97.10147	1.7
99.08100	5.1
105.04497	2.2
105.07043	12.1
107.04977	1.4
107.08595	35.4
109.06531	2.6
109.10159	7.9
111.08070	10.5
113.05983	1.6
113.09605	1.5
117.07024	12.8
119.08562	6.8
121.10146	22.9
123.11710	5.1
127.07518	1.4
129.07001	1.6
131.08556	14.9
133.10118	17.4
135.08020	3.7
135.11682	14.2
137.09637	1.1
139.11165	2.3
143.08563	2.2
145.06482	1.1
145.10077	2.5
147.11687	2.5
149.13254	49.2
151.11195	1.9
154.41447	1.1
157.10123	3.5
159.11697	31.8
161.13228	3.7
167.14299	1.0
171.11691	1.7
173.13258	1.4
177.12746	18.6
179.14372	2.4
185.13229	1.6
187.14899	1.9
195.13800	18.3
198.39980	0.9
199.14830	2.6
213.14746	1.4
221.15575	1.1
227.18031	1.3
233.15327	1.5
251.16330	1.1
251.20082	2.0
269.08005	2.8
269.12793	1.9
269.17474	74.5
269.22308	15.3
270.17902	1.1
278.95554	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03948	2.1
54.27409	0.5
54.27702	0.7
55.01867	4.0
55.05511	18.8
56.82111	0.5
57.03439	39.7
57.07078	4.7
58.87092	0.6
59.58434	0.6
65.03936	1.9
66.20937	0.6
67.05503	77.8
68.05807	0.6
69.07066	30.2
71.01353	1.2
71.04998	5.2
71.08630	0.8
73.02907	1.5
73.60201	0.5
77.03935	1.8
79.05491	41.8
79.29193	0.6
81.03419	1.6
81.07055	100.0
82.07401	1.0
83.04982	10.7
83.08619	18.2
85.06535	6.0
91.05022	0.4
91.05477	20.3
93.07043	73.9
94.07384	0.7
95.04956	6.6
95.08604	24.3
95.09212	1.4
97.06528	15.5
97.10133	2.9
98.22598	1.1
99.04456	1.0
99.08092	4.2
105.04515	1.6
105.07026	8.1
106.50440	0.6
107.08591	39.9
109.06519	3.2
109.10136	3.1
111.08071	9.5
111.11739	1.4
113.05970	1.1
113.09649	1.4
117.07011	8.1
119.06075	0.7
119.08604	2.3
121.06451	0.7
121.10144	24.4
123.08061	0.9
123.11723	2.7
123.28102	0.7
125.09660	0.7
127.07598	0.8
131.08565	10.3
133.10127	7.8
135.08095	1.6
135.11681	10.7
139.07547	1.5
139.11179	2.5
147.11662	1.8
149.13252	59.3
150.13556	0.8
151.11192	1.3
153.09105	1.4
157.10136	1.3
159.11694	22.0
161.13371	0.7
165.12732	0.7
167.14320	1.5
177.12747	10.6
195.13794	18.1
195.97533	0.6
196.14252	0.6
213.14787	0.7
228.86455	0.7
269.17474	61.5
269.22565	2.7
270.17847	1.6
292.57364	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.5
55.01865	3.4
55.05260	1.3
55.05511	22.3
56.38216	1.0
57.03437	36.0
57.07063	4.6
65.03936	2.3
67.05505	78.6
69.07069	35.0
69.07448	2.2
70.05079	2.8
71.01360	1.2
71.04981	7.3
73.00591	0.9
75.90499	0.9
79.05495	44.6
81.03420	1.7
81.07056	100.0
82.07404	1.1
83.04971	11.3
83.08182	1.8
83.08620	17.7
85.06548	7.4
91.04939	1.7
91.05478	21.1
93.07042	72.2
94.07359	1.5
95.04963	7.4
95.08603	27.9
97.06522	18.1
97.10155	2.4
98.22820	1.3
99.08073	5.3
105.04517	2.8
105.07030	9.4
107.05010	1.2
107.08591	38.7
109.06512	2.7
109.10130	3.7
111.08074	10.1
111.11712	1.9
113.09639	1.4
116.34763	1.1
117.07021	10.8
117.90542	1.0
119.08572	3.6
121.06508	1.3
121.10141	22.4
123.11703	2.9
127.07526	1.3
131.08548	9.1
133.10138	9.3
135.08073	2.6
135.11688	13.0
139.11195	3.4
146.10277	1.1
147.11656	2.0
149.09636	1.5
149.13254	57.5
151.11211	2.0
157.10417	1.1
159.11688	22.8
163.46103	1.0
177.12727	12.3
195.13797	17.0
203.43016	1.0
267.69308	1.1
269.17471	65.3
269.22607	4.0
270.17877	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03930	3.4
55.01866	2.1
55.05267	1.5
55.05510	19.9
56.90110	1.5
57.03434	30.3
57.07061	4.9
65.03925	2.1
67.05503	79.7
69.03412	3.0
69.07066	30.1
69.07439	2.1
70.41883	4.2
71.04984	5.8
71.08601	1.4
78.16994	1.3
79.05496	41.8
81.07055	100.0
83.04965	9.6
83.08617	20.7
85.06539	5.5
91.05471	25.5
93.07042	67.2
95.04951	6.2
95.08606	31.1
97.06517	16.3
99.08085	4.3
104.99268	5.3
105.07014	11.1
107.04939	2.0
107.08588	33.1
109.06516	4.8
109.10158	7.0
110.44823	1.5
111.08081	9.2
117.07027	11.1
119.08545	2.1
121.06429	1.9
121.10143	19.1
122.53425	1.6
123.08111	2.1
123.11689	6.2
131.08589	12.2
133.10121	13.3
135.08017	3.1
135.11700	12.9
139.11209	2.5
144.03123	1.5
144.09309	1.7
147.11650	2.5
149.09528	2.0
149.13257	43.9
151.11182	2.7
153.11713	1.3
159.11682	26.6
162.75732	1.5
167.14323	2.9
169.01967	1.6
177.12762	14.1
179.14282	1.9
186.99471	2.6
195.13789	14.9
251.20114	2.6
269.12943	3.2
269.17450	69.7
269.33307	1.6
270.17841	2.1
283.98346	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.83590	1.0
52.00566	1.1
53.02624	1.0
53.03937	2.2
54.47644	1.0
55.01866	2.3
55.05256	1.8
55.05505	24.6
57.03436	43.5
57.07062	4.8
65.03937	2.6
67.05502	79.8
68.50862	1.0
69.06710	2.2
69.07064	31.3
69.68056	3.8
71.04984	7.3
71.08640	1.2
77.03904	2.0
77.62371	1.0
79.05487	54.9
79.27011	1.0
81.03382	1.4
81.07051	100.0
82.07333	1.7
83.04977	23.6
83.08614	19.0
85.06534	6.9
88.22495	1.0
91.04940	2.0
91.05478	31.4
91.06050	1.5
93.07040	75.3
95.04973	10.1
95.08600	29.7
97.06530	16.4
97.10149	2.8
99.04456	1.4
99.08092	4.4
104.99273	3.6
105.04507	2.5
105.07023	10.9
107.04913	2.9
107.08585	34.4
109.06503	3.0
109.10141	4.6
111.08071	8.2
111.11733	2.1
113.09563	1.2
117.07005	11.5
119.08565	4.2
121.06519	2.0
121.10137	20.2
123.08064	2.5
123.11681	4.0
129.07036	1.5
131.08566	13.3
133.10130	14.6
135.08049	1.6
135.11693	11.9
139.11143	2.6
147.11688	3.3
149.13240	40.4
151.11185	1.4
159.11693	19.1
177.12724	11.2
195.13794	14.0
209.11705	1.9
213.14799	1.7
245.89035	1.1
251.20013	6.6
269.11380	2.6
269.17450	84.3
270.17599	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
50.42094	0.9
53.03934	2.2
53.71360	0.9
55.01862	3.6
55.05257	1.6
55.05509	22.3
57.03434	31.9
57.07060	3.1
65.03941	2.5
67.05504	80.4
68.05817	1.0
69.03439	0.9
69.07067	27.5
71.04994	7.3
71.08601	1.3
71.43221	1.1
77.03913	2.4
79.05491	45.1
81.03410	2.2
81.07054	100.0
82.07375	1.3
82.97354	0.9
83.04978	12.8
83.08616	18.7
85.06553	6.5
87.07261	0.9
91.05479	26.4
93.07044	74.0
94.07349	1.1
95.04967	8.8
95.08601	25.2
95.09207	1.4
97.06532	16.4
97.10160	2.4
99.08103	5.0
104.99289	5.7
105.04504	2.2
105.07018	9.2
107.04917	1.3
107.08589	36.0
109.06506	3.9
109.10129	3.9
111.08076	9.5
111.11720	0.9
112.86113	1.2
113.09667	1.2
117.07016	11.5
119.08540	2.7
121.06519	2.8
121.10146	21.1
123.11694	3.5
131.08551	12.5
133.10130	12.7
135.08064	2.3
135.11684	12.1
139.11148	2.7
147.11668	1.8
149.09521	1.3
149.13254	47.1
151.11214	2.1
152.90236	0.9
159.11691	24.2
161.13281	2.0
167.14354	1.5
177.12717	13.1
179.14383	1.6
195.13774	16.4
195.15364	1.4
213.14714	1.2
262.83279	1.0
269.17456	78.7
270.17911	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03938	2.3
55.01870	4.4
55.05510	20.6
57.03437	34.4
57.07072	3.3
57.07331	1.4
65.03934	3.0
67.05504	74.4
69.07072	28.0
71.04990	6.3
71.10499	1.5
77.03938	1.6
78.09459	1.3
79.05492	48.5
81.03416	2.8
81.07057	100.0
82.09812	1.5
83.04977	9.7
83.08621	19.3
85.06528	4.6
91.05479	26.4
93.07043	73.6
95.04978	8.1
95.08608	25.4
96.41884	1.2
97.06534	14.5
97.10223	2.7
99.08095	4.7
104.99274	10.9
105.04514	2.1
105.07035	11.6
107.08596	33.4
107.09318	1.2
109.06525	3.2
109.10167	4.5
111.08073	9.2
113.05993	1.8
117.06995	10.5
118.06509	1.4
119.06017	1.4
119.08575	3.9
121.06505	3.4
121.10128	16.1
123.11709	3.2
125.09617	1.5
131.08568	12.4
133.10130	13.3
135.08043	3.5
135.11696	12.1
139.11195	2.4
147.11671	2.9
149.09686	1.8
149.13251	38.1
151.11212	2.5
159.11696	23.6
167.14328	2.0
177.12711	11.7
186.99553	3.9
195.13821	14.3
219.89830	1.3
252.84474	1.5
269.17490	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	Arteincultone
Peak:m/z	Relative Intensity
50.39136	1.7
54.08397	1.9
54.82966	1.7
55.01858	5.4
55.05508	19.7
55.63530	1.7
57.03438	34.1
57.07058	4.9
58.37667	1.7
65.03939	4.0
67.05505	80.0
69.07066	28.6
69.13937	3.6
69.14340	8.8
71.04983	8.0
79.05489	49.6
81.03404	2.8
81.07056	100.0
83.04983	13.1
83.08618	14.4
85.06536	3.6
91.05480	24.2
93.07042	75.9
95.04958	11.6
95.08603	22.4
97.06523	16.4
97.10175	3.6
97.72145	1.9
98.89421	1.9
99.04453	1.9
99.08054	4.1
104.99284	27.5
105.07026	8.4
107.08595	34.1
109.06518	5.4
109.10159	6.1
111.08111	10.5
117.07039	11.4
121.06521	3.0
121.10143	23.5
123.11703	3.5
123.58286	1.9
131.08572	12.4
133.10112	14.0
135.11670	11.7
136.06099	2.2
136.07619	1.9
139.11189	2.3
141.93925	2.3
147.11684	2.9
149.13239	43.7
159.11688	21.9
177.12733	8.8
186.99570	6.5
195.13826	15.6
251.20085	2.5
269.11292	3.2
269.17496	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	269.1749
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03934	2.5
55.01867	2.7
55.05259	1.3
55.05513	20.7
57.03439	32.4
57.07064	3.3
64.44617	0.8
65.03937	2.3
67.05507	81.8
68.05859	0.9
69.03419	0.9
69.06708	1.5
69.07069	26.1
69.07449	1.7
69.44251	2.4
69.44643	1.5
71.05002	6.5
72.54227	0.8
77.03928	3.1
77.16387	0.8
79.05496	44.2
81.03436	2.0
81.07059	100.0
82.07394	1.0
83.04987	11.7
83.08621	18.6
85.06543	6.5
86.79976	0.7
89.88638	0.8
91.05484	27.5
91.06059	1.6
91.25144	0.7
91.61890	0.8
93.07047	70.9
95.04968	9.3
95.08611	23.9
97.05972	1.2
97.06539	15.6
97.10149	1.7
98.23479	1.3
99.08082	5.6
100.08266	0.8
104.99254	2.1
105.04539	1.9
105.07031	10.8
107.08600	30.2
109.06495	3.8
109.10123	4.5
111.08064	8.1
111.11710	0.9
113.09647	1.2
117.07022	15.1
119.08583	2.7
121.06541	2.1
121.10149	16.3
123.11717	3.0
125.06033	0.7
125.09592	1.3
131.08574	13.5
133.10147	14.8
135.08076	1.9
135.11702	11.6
139.11169	1.0
147.11700	1.0
149.09641	2.0
149.13260	35.5
151.11223	1.9
159.11693	28.4
161.13271	2.5
167.14377	1.5
177.12758	14.8
179.14307	3.0
194.02055	0.8
195.13811	17.0
213.14827	1.5
251.16228	1.3
269.17480	80.4
270.17856	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	269.175
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03948	1.7
55.01879	2.9
55.05511	19.7
57.03439	29.3
57.07072	4.3
59.04978	0.8
65.03960	1.5
66.77276	0.7
67.05505	81.3
69.03396	0.8
69.07067	27.0
69.64602	3.0
71.04994	7.3
75.48775	0.7
77.03914	2.0
79.05494	49.7
81.03418	1.5
81.07056	100.0
83.04974	8.5
83.08625	18.1
85.02901	1.1
85.06549	5.9
91.05480	29.6
93.07043	73.2
95.04961	8.6
95.08606	25.8
97.06528	16.3
97.10172	2.4
99.04472	1.2
99.08088	3.6
103.03947	0.8
104.30353	0.7
104.99276	3.6
105.04509	2.3
105.07033	8.4
107.08592	34.4
109.06497	2.7
109.10142	4.2
111.08085	8.3
113.09669	1.2
117.07011	14.1
119.08589	2.6
121.06483	1.8
121.10136	16.2
123.11721	4.5
125.09571	0.9
127.07590	1.0
131.08563	13.6
133.10121	14.8
135.08061	2.4
135.11691	11.1
139.07538	1.4
139.11223	1.4
144.09305	0.8
145.10141	0.7
147.11688	1.6
149.09581	1.3
149.13257	36.3
151.11159	2.2
157.10091	0.8
159.11687	29.5
161.13254	2.5
174.59581	0.8
177.12738	16.3
179.14339	2.7
195.13786	15.5
207.04294	0.7
213.14912	1.7
251.16432	1.1
255.91203	0.8
269.17465	73.6
270.17758	1.6
270.43231	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.7
56.60405	2.2
59.05006	18.4
61.02928	2.9
69.62679	7.9
71.04948	2.5
72.30061	2.3
73.06552	34.4
75.04478	9.0
81.94669	2.3
85.02905	7.4
87.04475	25.0
89.06023	3.1
91.07591	4.1
93.03621	2.3
95.58846	2.4
103.03935	10.8
104.72217	2.3
120.08058	7.2
131.03386	14.0
133.04951	2.6
134.50024	2.1
136.06201	4.7
161.04472	40.2
161.05743	4.3
161.85960	2.3
178.08640	19.0
192.10196	25.8
196.09731	4.8
196.58955	2.9
217.03442	100.0
224.12692	4.1
235.04501	26.7
252.15904	5.1
270.08109	3.4
270.13336	21.7
270.16852	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	270.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
55.05283	1.0
55.05510	7.1
56.01750	1.1
57.03433	4.9
61.02923	10.1
69.03429	14.3
70.62434	2.6
71.04988	2.4
73.02922	2.9
73.06555	61.3
81.03423	4.4
85.02905	100.0
87.04511	1.9
91.03944	7.3
91.59772	1.1
97.02892	19.7
98.97606	1.8
99.04450	4.8
109.02883	8.5
117.56218	1.4
127.03910	22.8
138.05525	3.1
145.04956	47.1
150.09171	3.1
151.09930	2.7
163.06020	17.8
194.08287	1.3
217.10756	2.6
225.41504	1.1
235.88315	1.4
238.10767	2.3
240.77534	1.2
247.01566	3.8
253.12856	4.2
265.02872	3.9
270.13461	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	271.0593
Annotation	Apigenin
Peak:m/z	Relative Intensity
65.03951	0.1
67.01859	0.9
68.99777	0.6
69.49529	0.2
88.91071	0.1
90.62291	0.0
91.05471	0.8
95.04944	0.1
105.74810	0.1
109.02848	0.1
111.00803	0.2
112.98669	0.1
119.04937	3.5
120.05222	0.1
121.02862	1.0
121.03671	0.1
125.02390	0.1
129.01822	0.2
141.06955	0.1
145.01826	0.1
145.02835	0.8
145.06445	0.1
145.57231	0.1
153.01816	7.9
154.02147	0.1
155.04912	0.1
163.03891	0.7
165.05482	0.2
165.06992	0.1
166.14647	0.1
169.06465	0.1
171.02916	0.5
173.06023	0.1
183.07996	0.1
187.03929	0.3
197.06039	0.1
201.05536	0.1
202.06264	0.1
203.07062	0.1
225.05414	0.4
229.04961	0.4
243.06500	0.6
247.06099	0.2
253.04922	0.1
254.05490	0.0
256.49670	0.0
271.05981	100.0
272.06326	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	271.0587
Annotation	Apigenin
Peak:m/z	Relative Intensity
55.01863	0.3
56.02934	0.2
59.77900	0.2
61.21521	0.2
67.01865	1.6
67.05492	0.5
68.99783	1.2
69.07047	0.2
69.62717	0.3
69.63126	0.5
79.05493	0.3
80.33078	0.2
81.07059	0.6
82.58475	0.2
91.05470	1.3
92.98193	0.2
93.07047	0.4
95.08591	0.7
98.22751	0.3
105.07028	0.5
107.04973	0.2
107.08572	0.3
107.86525	0.2
108.65544	0.2
109.10143	0.4
111.00803	0.4
115.05424	0.2
118.86195	0.2
119.04936	3.4
119.08577	0.2
121.02891	2.0
121.10156	0.3
123.11700	0.3
125.02408	0.2
129.01834	0.4
129.54269	0.2
131.08615	0.3
135.11610	0.2
137.05992	0.2
141.06972	0.5
145.02853	2.3
145.10110	0.5
149.69048	0.2
150.96088	0.2
152.06195	0.3
153.01825	10.7
153.06931	1.0
154.07758	0.2
155.08537	0.7
157.06419	0.2
159.08086	0.6
159.11636	0.4
161.05975	0.2
163.03886	1.0
165.06998	2.6
168.05736	0.4
169.06487	0.3
171.02914	1.7
173.13295	0.3
181.06506	0.7
182.07018	0.3
183.08093	1.5
185.05933	0.2
187.03841	0.3
193.06503	0.5
196.05232	0.3
197.05971	0.7
199.07526	0.2
200.08423	0.3
201.09377	0.3
201.16351	0.2
203.07002	0.7
207.82207	0.2
211.07539	1.7
212.08318	1.1
213.05418	0.4
215.10725	0.3
215.17992	0.2
221.05975	0.4
225.05415	0.8
228.07803	0.6
229.04912	0.4
239.06989	0.3
243.06505	0.4
243.10081	1.2
247.06068	0.2
271.06000	100.0
271.09402	5.3
271.24152	1.0
272.06360	3.9
272.09586	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0602
Annotation	Apigenin
Peak:m/z	Relative Intensity
52.08270	0.1
65.03950	0.1
67.01524	0.1
67.01865	1.7
68.99779	1.1
69.00098	0.0
69.03413	0.1
69.84894	0.1
69.85249	0.1
81.03407	0.1
91.01839	0.1
91.05476	1.6
93.15227	0.1
97.02856	0.1
109.02880	0.1
109.53925	0.1
111.00784	0.3
117.00299	0.1
119.04937	5.5
120.05256	0.1
121.02860	1.5
125.02327	0.1
129.01820	0.3
130.61192	0.1
131.04913	0.1
141.06946	0.2
145.02838	1.7
153.01819	12.1
154.02167	0.3
155.04790	0.1
157.06474	0.1
163.03902	1.1
169.06476	0.2
171.02899	0.6
173.05939	0.1
183.45067	0.1
185.05855	0.1
187.03903	0.3
197.05995	0.3
202.06328	0.1
203.07040	0.2
211.03745	0.1
215.07094	0.1
225.05406	0.6
229.04970	0.6
243.06470	0.8
247.06032	0.2
253.05022	0.2
254.05603	0.1
270.05292	0.1
271.05984	100.0
272.06326	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	271.0965
Annotation	2,7-Dihydroxy-4,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
55.01870	4.0
62.10224	0.5
65.03929	1.2
69.03407	0.7
69.24654	1.7
69.25060	1.6
79.05482	0.9
83.04971	0.7
89.03886	1.2
91.05482	12.4
95.04962	3.5
95.08600	0.7
98.23486	0.8
105.06973	1.0
107.04961	4.0
110.03675	0.7
112.58709	0.7
115.05467	2.9
117.03349	0.8
118.04118	1.5
119.04929	8.4
120.05764	0.7
121.06510	5.0
123.04413	1.0
124.05228	1.0
128.06239	0.7
129.06993	2.6
131.04910	0.6
133.02887	0.7
133.06459	0.8
134.03612	1.8
135.04404	1.6
137.05975	6.9
140.06206	0.7
141.06993	6.3
144.05696	0.6
145.06474	0.8
147.04417	0.7
147.07979	0.6
149.05986	2.8
150.06808	1.2
151.03889	0.7
151.84767	0.6
152.06195	5.7
153.06992	27.1
154.07777	3.9
155.06033	0.7
155.08566	14.8
156.05719	0.7
157.06477	2.6
161.06046	0.6
165.06996	67.6
166.07535	2.0
167.08630	1.2
168.05702	9.4
169.06508	4.6
170.07249	2.3
171.08040	0.8
176.06229	0.6
179.04942	1.3
179.08595	1.0
180.05719	1.4
181.06471	17.2
182.07260	6.8
183.08049	35.0
184.08594	0.6
185.05988	4.7
187.07561	1.2
193.06253	10.8
193.07834	2.4
194.07298	2.3
195.07954	1.2
196.05154	6.9
197.05998	5.0
197.09692	1.4
198.06790	2.5
199.07512	2.7
200.08289	4.1
207.04372	4.7
209.05965	2.4
210.06755	4.6
211.07527	39.5
212.08278	5.9
213.05513	2.6
213.09035	1.2
215.10733	0.7
221.05951	13.2
225.09021	4.4
227.07025	1.5
228.07796	5.0
239.07028	7.6
242.09401	4.0
243.10141	5.7
253.08635	1.2
270.08664	0.7
271.09634	100.0
272.10034	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	271.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71077	0.4
53.00297	0.3
55.01862	0.7
55.05508	0.4
64.98512	0.3
65.03923	0.6
67.05502	1.0
77.03924	0.6
79.05482	1.4
80.77350	0.3
81.07070	1.6
83.04938	0.4
83.06234	0.4
85.02911	1.6
85.06528	0.3
91.05476	8.1
93.07030	0.5
94.04184	1.3
95.04969	2.8
95.08595	0.7
101.06023	0.5
105.03404	2.6
105.04498	0.6
105.07030	0.8
107.04928	1.7
109.06519	4.3
111.04465	0.5
118.04189	0.4
119.04934	3.3
121.02834	0.4
121.06519	1.1
121.10169	0.4
123.04434	0.8
123.08067	0.6
124.65154	0.3
133.02853	1.5
135.04422	3.1
135.11678	0.3
137.05971	3.1
139.03877	0.9
141.06989	1.3
147.04362	1.6
149.02321	2.0
149.06032	0.5
150.03116	1.2
151.07570	1.5
152.06239	1.3
153.01837	0.7
153.06981	3.9
154.07703	0.4
155.07454	0.4
155.08527	1.8
165.05489	100.0
165.06966	11.3
166.05827	2.0
166.07698	0.4
167.06903	0.3
167.08707	0.4
168.05701	1.8
169.06450	0.9
170.07161	0.5
175.03920	1.1
179.07065	1.5
181.05040	0.7
181.06505	2.6
182.07271	1.4
183.08026	3.9
185.06013	0.7
193.06314	1.6
196.05231	1.4
197.06058	1.0
197.09666	0.3
200.08379	0.4
207.04634	0.7
207.06505	4.8
210.06732	0.6
211.07539	5.1
212.08299	0.6
221.05992	1.9
225.09129	0.6
228.07857	0.9
239.06955	0.9
239.09154	4.5
242.09346	0.4
243.10147	1.2
244.10895	0.3
253.08597	0.3
256.07336	0.4
266.35852	0.3
271.06046	7.8
271.09674	13.4
272.10007	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1442
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
51.75246	0.8
55.05510	1.3
57.07068	1.5
58.06596	2.6
59.87240	1.0
66.44965	0.9
67.01839	1.1
67.05504	3.0
69.03448	1.0
69.07069	1.3
69.34028	5.1
79.05483	3.1
81.07044	4.3
82.05918	1.0
91.05476	4.5
93.05771	1.1
93.07078	1.4
94.06563	1.2
94.60171	0.9
95.08600	2.2
96.08134	2.8
100.07611	1.5
104.53117	0.9
105.07066	2.0
106.06551	2.7
107.08632	1.2
108.08121	11.8
109.10128	1.2
115.05509	1.4
117.07027	1.6
119.04956	3.8
119.08588	1.4
122.09616	1.2
127.53807	0.9
128.06165	1.0
129.06961	2.0
131.07236	1.0
131.10074	0.9
133.10117	2.0
134.06007	2.5
135.08000	1.5
136.07620	1.5
144.05745	1.2
144.08034	1.3
145.10121	1.0
153.01819	7.3
157.10156	1.9
159.08054	12.5
165.06900	1.0
168.08093	3.7
169.08856	3.7
172.07582	1.6
181.10139	2.2
182.09647	3.1
183.10420	5.4
184.07564	1.0
185.10809	1.3
186.11411	1.3
196.07556	4.0
197.08340	10.7
198.09171	1.5
198.12827	6.0
199.08701	7.0
199.12308	1.1
200.13000	1.4
206.77512	0.9
210.09192	2.6
211.09888	15.6
213.10257	13.4
214.10966	4.4
215.15439	3.7
225.13991	1.7
226.12277	32.3
227.08279	1.4
227.11787	19.8
228.12529	24.3
229.12921	1.4
241.09656	1.8
241.13274	1.4
242.10426	2.2
243.14972	22.1
253.13388	5.2
254.11612	2.4
254.24815	4.4
255.11275	18.2
256.12051	26.9
271.06030	70.6
271.14395	100.0
272.06335	3.7
272.14685	3.1
272.25836	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	271.1695
Annotation	Estrone
Peak:m/z	Relative Intensity
55.01863	1.0
55.05512	4.2
57.03442	5.4
58.48119	0.7
67.05506	6.3
69.07050	1.8
69.64754	2.2
77.03925	0.8
79.05495	5.7
81.07070	4.2
83.08617	2.7
86.06061	1.1
91.05480	6.2
93.07050	3.7
95.04919	0.8
95.08582	2.5
97.10165	1.4
100.07591	0.7
104.99242	0.8
105.07018	4.1
107.04981	1.7
107.08588	2.8
109.06531	0.9
109.10167	1.8
111.08097	0.7
115.05418	1.5
116.06261	1.3
117.07022	10.3
119.04959	2.5
119.08567	4.9
121.02836	0.8
121.06512	0.8
121.10140	2.6
125.09614	1.0
128.06244	2.3
129.07005	6.8
131.08556	5.6
133.06496	1.1
133.10126	0.8
134.05997	1.5
135.08044	5.5
141.06989	3.1
142.07745	1.2
143.08560	4.2
144.05710	8.0
145.02855	1.6
145.06473	2.7
145.10133	4.2
146.07127	0.8
147.08051	2.7
153.01857	3.9
153.06975	1.1
155.08543	2.9
157.06448	3.7
157.10089	3.2
158.07251	0.8
159.08054	100.0
160.08427	1.1
161.09613	2.0
169.10153	2.8
171.11682	1.4
173.09587	6.9
175.07526	1.8
183.08043	1.3
183.11810	1.1
185.09607	7.6
187.11089	0.8
196.07536	0.8
197.09602	3.2
197.13261	0.9
199.08672	0.7
199.11166	2.6
211.11320	3.7
211.14513	0.6
212.10738	1.2
213.10214	2.8
215.14259	4.7
225.10329	1.4
225.12741	1.3
225.16435	1.7
227.08165	2.2
227.11841	1.7
228.08791	0.9
239.11774	1.6
240.12503	0.9
241.09721	8.8
243.17480	2.4
244.02168	0.7
253.15868	9.8
254.24834	4.3
255.11287	2.2
256.12048	4.8
271.06021	45.5
271.14359	25.0
271.16956	86.9
272.06366	2.6
272.17221	2.8
272.25845	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	273.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.7
55.05502	1.8
57.07088	1.3
67.05495	2.5
69.07057	2.0
70.06580	2.8
72.08138	0.9
75.27322	0.7
79.05504	7.0
80.05007	1.3
81.05797	1.0
81.07051	3.8
83.08611	1.5
86.09692	0.9
88.07639	0.8
91.05493	5.5
93.06531	0.9
93.07053	7.2
94.06587	3.7
95.04961	1.9
95.08596	2.6
96.08135	3.1
100.14134	0.6
103.05475	4.9
105.04521	1.2
105.05791	1.0
105.07048	3.2
107.07312	0.8
107.08573	1.7
108.08123	1.5
109.06519	0.8
109.10171	1.0
111.08091	0.5
117.07014	1.7
118.06492	1.5
119.07327	2.3
119.08585	1.6
120.08105	52.1
121.06522	1.1
121.10107	1.0
122.06017	2.0
122.09672	2.3
124.07589	15.8
124.08451	1.3
126.09174	3.2
131.08643	3.5
132.10210	2.0
133.10127	1.3
136.07573	1.4
138.09068	1.0
143.08553	0.7
145.09029	0.6
145.10146	2.8
146.11766	1.7
147.08051	1.7
147.11780	1.3
148.07570	100.0
149.08221	1.5
150.09128	12.7
152.10660	0.8
153.01775	0.7
157.10098	2.1
159.08078	0.7
159.11691	1.7
161.09608	1.3
164.07172	0.9
171.11670	1.3
173.09607	0.7
175.11055	0.8
200.10741	3.8
220.49382	0.6
228.13838	0.7
245.16515	10.4
245.18970	1.3
255.14943	0.8
255.17455	2.6
272.25925	8.8
273.06644	4.4
273.15973	58.5
273.18561	9.1
273.26080	13.2
274.16202	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
51.02370	0.4
53.03945	1.0
55.01874	2.7
55.05510	11.4
57.03430	3.2
57.07063	0.7
59.05006	0.5
61.40422	0.4
65.03923	1.3
67.05166	0.8
67.05504	14.7
69.03419	1.8
69.06712	0.5
69.07065	7.9
69.66459	0.8
69.66840	1.0
69.93781	0.4
71.04971	1.7
73.06535	0.8
77.03936	1.2
79.05042	0.9
79.05489	14.7
81.03427	0.8
81.06572	0.7
81.07055	13.3
83.04971	1.3
83.08611	4.9
85.06528	1.2
91.05479	29.5
93.07039	12.3
95.04958	3.4
95.08032	0.5
95.08604	7.5
95.09191	0.4
97.06522	1.8
97.10149	1.3
99.08059	0.8
103.05439	1.7
105.03379	0.6
105.04517	0.7
105.07028	26.3
107.04963	2.6
107.08575	6.6
107.09252	0.6
109.06535	2.9
109.10133	2.7
111.08092	0.8
113.05995	0.5
115.05450	3.9
116.06209	3.1
116.47755	0.5
117.07018	27.6
119.04921	0.7
119.08578	18.2
120.08939	0.6
121.06500	3.6
121.10153	3.7
123.08051	1.9
125.09590	0.7
128.06212	4.0
129.06999	12.0
130.07784	4.2
131.08560	35.8
132.08934	0.4
133.06487	4.5
133.10121	9.3
135.08043	4.8
135.11668	1.5
137.09599	1.7
141.06978	1.4
142.07797	2.0
143.08560	13.2
144.09315	2.1
145.06458	2.1
145.10118	35.7
146.07259	0.5
146.10576	0.8
147.08043	12.2
147.11655	3.6
149.09619	2.8
151.11246	0.5
154.07788	0.7
155.08542	2.5
156.09311	0.8
157.10126	12.5
158.10869	0.9
159.08035	1.9
159.11687	12.2
160.08788	0.5
161.09616	10.7
161.13251	1.2
162.10298	0.6
163.07559	0.7
163.11189	2.0
166.07721	0.6
167.08569	0.7
169.10143	2.3
171.11676	8.4
172.12408	0.5
173.09627	3.5
173.13274	2.1
175.11154	4.1
177.09084	0.6
177.12740	0.5
179.10736	0.5
181.10101	1.6
183.11705	1.8
185.09630	1.2
185.13214	3.0
187.11154	2.3
187.14801	0.7
189.12724	1.8
195.11700	3.3
197.13104	0.8
199.11183	1.6
199.14842	1.4
201.12727	1.6
209.13203	1.1
211.14799	1.3
213.12778	1.6
213.16393	1.7
215.14290	0.7
217.15851	2.5
219.13673	0.4
227.14371	1.0
227.17909	3.5
228.18301	0.4
231.17456	0.9
237.16389	4.8
245.18983	8.7
255.17433	10.2
256.17688	0.4
273.18475	100.0
274.18787	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	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03949	1.5
55.01886	3.7
55.05512	27.0
57.03433	1.3
59.04973	0.8
65.20273	0.6
67.05158	1.1
67.05505	14.7
69.03419	0.9
69.07063	9.4
69.80339	2.3
71.04986	1.5
79.05046	1.1
79.05491	13.9
81.07056	18.3
83.04960	2.2
83.08617	10.5
85.06538	0.9
89.04170	0.7
91.05480	31.4
92.05803	1.0
93.07051	14.5
95.04956	1.7
95.08610	9.2
97.06531	1.1
97.10173	6.2
98.22657	0.7
103.05456	2.1
105.07034	29.0
105.07733	1.6
107.04945	3.1
107.08595	7.1
109.06512	2.6
109.10148	2.2
111.08087	0.8
114.49785	0.7
115.05444	4.6
116.06267	3.4
116.69373	0.7
117.07021	27.4
118.07689	0.5
119.04958	1.0
119.08582	14.3
121.06484	2.4
121.10125	2.2
123.08044	2.6
125.09601	2.4
127.25276	0.7
128.06209	6.6
129.06998	15.7
130.07809	7.9
131.08569	57.9
132.08986	1.1
133.06522	4.4
133.10123	8.3
135.08052	2.6
135.11694	1.4
137.09647	1.0
141.07005	1.9
142.07785	2.4
143.08562	51.3
144.09309	2.1
145.06483	1.5
145.10124	69.7
146.10478	1.5
147.08046	7.3
147.11691	2.4
149.09592	2.0
153.07048	0.9
155.06181	0.7
155.08565	3.1
156.09389	0.7
157.10136	13.9
159.08023	3.8
159.11700	14.8
161.09630	7.2
161.13304	0.8
163.11182	1.2
165.06969	0.8
167.08569	0.7
167.61018	0.8
169.10132	7.4
171.11688	9.2
172.12518	1.0
173.09589	1.4
173.13237	2.6
175.11174	2.0
177.09081	0.8
181.10103	4.8
183.11710	3.0
185.09703	0.7
185.13315	2.2
189.12662	1.0
195.11690	7.2
196.12358	0.8
199.11185	1.9
199.14932	0.8
209.13268	2.1
211.14809	1.3
213.12723	2.0
213.16380	1.0
227.17960	4.4
231.13786	0.9
237.16368	11.4
245.19028	2.7
255.17451	15.2
256.17566	0.7
273.18491	100.0
274.18741	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	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.64573	0.4
51.09406	0.5
52.51631	0.5
52.74812	0.5
53.03939	2.1
55.01871	6.2
55.05510	9.9
57.03434	1.6
57.07066	1.3
59.05004	0.5
59.34320	0.5
65.03939	1.6
67.05506	19.9
69.03426	2.1
69.07066	6.2
70.95892	0.6
71.04977	2.1
77.03928	0.9
79.05492	19.9
81.03420	2.9
81.07055	20.8
83.04987	4.0
83.08611	4.1
85.06551	1.6
88.07613	0.6
91.05479	28.8
93.07044	20.6
95.04966	9.3
95.08604	21.4
97.06528	3.3
97.10149	1.3
98.22683	0.6
98.97638	0.8
99.08118	0.8
101.31518	0.6
103.05460	1.5
105.04519	1.4
105.07030	29.2
107.04951	8.7
107.08596	9.8
109.06517	8.3
109.10150	4.9
111.08064	1.3
115.05455	2.1
116.06222	1.4
117.07011	15.9
119.04922	2.1
119.06051	0.5
119.08579	21.6
121.06500	7.9
121.10151	4.6
123.08060	7.7
125.06013	0.5
125.09644	0.7
128.06215	3.0
129.07004	9.9
130.07782	2.0
131.08569	20.4
132.05681	0.6
133.06488	9.6
133.10133	12.7
135.04506	0.6
135.08049	10.8
135.11723	1.2
137.09612	7.1
139.07465	0.5
141.07022	2.1
142.07744	1.7
143.08556	12.9
144.09335	0.9
145.06512	2.9
145.07491	0.5
145.08961	0.9
145.10118	17.4
146.07288	0.7
147.08037	11.4
147.11685	4.3
149.09612	7.3
149.13268	0.8
151.07529	0.6
151.11240	1.3
153.06952	0.6
155.08521	2.6
156.09430	0.8
157.06500	1.6
157.10114	8.4
158.10849	0.7
159.08098	4.1
159.11691	9.2
161.09619	17.0
161.13257	2.2
163.07585	0.7
163.11151	3.2
165.09044	0.5
167.08594	1.4
169.10144	2.8
171.08057	1.1
171.10292	0.7
171.11674	8.2
173.09628	5.2
173.13269	2.3
175.11192	9.7
177.09126	1.8
177.12767	1.6
179.10612	0.9
180.09343	0.6
181.10106	1.6
183.11664	1.1
185.09596	3.0
185.13275	3.3
187.11192	2.8
187.14818	0.9
188.11804	0.7
189.12773	3.6
191.10683	0.8
195.11659	2.6
199.11182	2.6
199.14853	1.4
201.12697	1.2
203.10742	0.7
203.14395	0.6
209.13147	1.0
211.14853	1.3
213.12723	2.2
213.16339	3.6
217.12323	1.3
217.15704	0.6
227.14386	0.7
227.17955	4.6
229.15855	0.7
231.13716	0.6
231.17406	0.9
237.16405	4.1
245.18982	7.2
253.04428	0.5
255.17448	15.1
272.29333	0.7
273.18475	100.0
273.29715	1.9
274.18808	3.8
274.27405	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1851
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
52.18681	0.4
53.03943	1.7
53.20131	0.4
54.51188	0.4
55.01874	4.9
55.05262	0.6
55.05512	9.3
57.03420	1.4
57.07072	1.2
57.78816	0.4
65.03929	1.0
67.05506	18.0
69.03424	1.9
69.07068	6.5
70.43645	0.4
70.54636	0.9
71.01337	0.6
71.04981	1.5
77.03919	1.1
79.05492	16.1
80.17805	0.5
81.03406	2.0
81.07056	19.5
83.04975	2.7
83.08619	4.5
85.06532	1.2
86.19241	0.4
91.05479	27.5
93.07047	17.2
95.04971	6.1
95.08610	10.3
97.06522	2.3
97.10151	1.1
99.08075	0.5
103.05471	1.8
105.03436	0.7
105.04506	1.2
105.07030	25.1
107.04954	5.5
107.08597	8.1
108.05742	0.5
109.06516	3.8
109.10155	3.6
111.08068	1.3
115.05456	2.0
116.06233	1.0
117.07019	13.0
119.04930	2.0
119.08578	16.0
121.06506	12.9
121.10148	4.9
123.08077	3.5
123.11671	0.7
125.05908	0.5
125.09595	1.0
128.06216	3.0
129.07007	8.2
130.07790	2.3
131.04939	0.4
131.08568	18.0
132.05699	0.6
133.06487	8.0
133.10120	10.4
135.08043	6.1
135.11702	1.7
137.09613	1.6
141.06975	1.2
142.07751	1.9
143.08563	9.7
144.09340	0.9
145.06451	2.7
145.10126	16.0
146.07263	1.0
147.08043	11.4
147.11684	5.3
149.09622	3.9
151.11185	1.5
153.07013	0.6
155.08543	1.8
156.09329	0.7
157.06511	1.1
157.10124	8.6
158.10840	0.5
159.08064	3.9
159.11707	6.8
161.09616	12.3
161.13264	2.6
163.07550	1.5
163.11188	2.1
165.09134	0.6
167.08540	0.8
169.10150	2.2
171.08047	1.1
171.11694	6.1
173.09636	3.0
173.13284	1.9
175.11180	6.6
175.14723	0.8
177.09119	1.1
177.12791	1.0
179.10754	0.8
181.10110	1.5
183.11679	1.4
185.09653	1.5
185.13261	3.7
187.11198	2.5
187.14766	1.1
189.12733	2.0
191.10638	0.5
195.11728	2.6
199.11221	2.7
199.14838	1.6
201.12865	0.5
203.14340	0.8
203.17908	1.0
205.12274	0.7
209.13295	0.8
211.14799	0.9
213.12720	1.8
213.16466	1.6
217.12256	0.9
217.15883	0.5
217.19574	0.8
227.17950	4.4
229.15883	0.6
231.13847	0.9
231.17436	1.0
237.16371	2.7
245.18994	8.7
255.17461	9.8
273.18491	100.0
274.18735	3.7
274.27451	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2739
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
56.82308	0.3
57.07076	6.2
58.06594	0.6
59.50334	0.2
62.06063	0.5
65.51040	0.2
68.05018	0.3
69.83824	0.9
70.06590	10.4
71.08635	2.5
85.10190	0.8
88.07627	14.8
91.65716	0.3
102.09170	3.8
106.07979	0.5
106.08662	8.8
106.09383	0.4
121.09983	0.3
132.68265	0.3
212.23680	0.8
230.24762	0.9
256.26328	5.9
258.32932	0.3
274.27383	100.0
275.20132	0.3
275.27771	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	275.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	1.4
59.12581	0.3
70.93760	0.5
73.69484	0.3
92.42142	0.3
98.97585	15.9
99.79211	0.3
101.00864	0.4
116.98612	5.8
119.01909	0.6
130.84460	0.3
134.99663	0.8
137.31914	0.3
140.95369	0.4
150.49767	0.4
172.94507	0.3
188.27344	0.3
190.95407	0.4
214.95389	0.4
232.96495	0.6
256.96460	2.2
274.97531	10.5
275.11011	100.0
275.97922	0.4
276.11426	2.0
292.98538	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	275.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.1
57.03436	5.5
57.07071	2.5
67.05505	9.6
69.07059	5.5
69.98713	2.1
70.06580	3.9
71.04987	0.8
71.06910	1.2
77.03903	0.9
79.05490	8.9
81.07059	10.4
83.04969	0.8
83.08621	4.2
85.06543	1.9
88.07610	5.7
89.07976	1.2
91.05481	26.9
91.06051	1.5
93.07034	10.3
95.04990	1.4
95.08601	7.9
97.06538	1.0
97.10161	1.1
102.09172	1.9
103.05463	0.9
105.07031	33.8
106.08665	2.4
107.08569	5.7
109.06525	2.8
109.10149	2.4
111.08067	0.7
115.05405	0.8
117.07009	6.6
119.08584	27.3
121.10155	2.0
123.08093	0.9
128.06181	0.8
129.07004	2.7
131.08574	8.0
133.10126	17.2
135.08095	1.3
135.11697	1.9
143.08553	2.3
145.10135	9.7
146.49828	0.7
147.11684	19.2
149.09612	2.8
157.10147	3.6
159.11656	10.8
159.12767	1.1
161.09746	0.8
161.13246	7.5
169.10158	1.0
171.11693	1.2
173.13290	3.7
175.11273	1.1
175.14844	1.4
183.11665	2.9
185.13232	6.6
191.14287	1.3
197.13327	1.0
201.16388	1.2
203.14348	6.2
219.17413	1.9
239.17961	4.0
257.19003	9.8
257.26669	1.5
266.04794	0.7
274.27383	7.2
275.20062	100.0
275.27731	45.9
276.20477	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.01862	2.0
55.05255	0.6
55.05511	9.0
57.03434	1.0
57.07082	0.5
65.03925	0.7
67.05503	11.7
69.03420	0.5
69.07064	7.5
69.58521	1.2
70.38142	0.4
71.04976	1.3
79.05042	0.8
79.05491	13.5
81.03419	0.4
81.07054	11.5
83.04970	2.0
83.08622	3.6
85.06513	0.8
91.05477	25.8
93.07044	11.7
95.04986	2.3
95.08601	8.0
97.06535	2.0
97.10159	1.5
99.08053	0.5
103.05437	0.7
104.72811	0.4
105.07030	38.9
107.04940	1.5
107.08586	11.3
109.06510	1.9
109.10145	3.8
111.08110	1.0
115.05458	0.5
117.07008	6.3
119.08580	25.7
121.06493	2.0
121.10138	5.1
123.08074	1.3
123.11677	1.2
125.09621	0.8
129.07022	1.1
131.07657	0.8
131.08572	9.8
133.06578	0.5
133.10127	25.9
134.10498	0.9
135.08037	2.6
135.11697	2.9
137.09509	1.0
139.11229	0.4
141.06941	0.8
143.08554	1.7
145.10114	10.2
146.10892	0.6
147.08066	1.1
147.11682	17.4
149.09599	4.6
149.13226	1.0
151.11177	1.1
155.08569	1.1
157.10106	2.1
159.11697	6.7
161.09636	1.0
161.13263	4.9
163.11183	2.9
165.09117	0.7
165.54572	0.4
169.10167	0.8
171.11568	2.3
173.13240	3.6
175.11188	1.4
175.14801	0.6
177.12730	1.0
183.11702	1.8
185.13211	1.0
187.11191	0.9
187.14783	1.2
189.12737	0.7
191.14261	0.4
193.12343	0.5
197.13272	2.1
199.14818	1.0
201.12791	0.5
201.16501	0.6
213.16432	0.6
215.11185	0.6
215.18001	0.8
219.13806	0.6
229.19519	1.5
233.15387	0.6
236.71094	0.5
239.17978	2.9
241.76073	0.5
247.20583	2.1
253.12857	0.9
257.19025	7.5
271.13971	0.9
275.20053	100.0
276.20425	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	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.05515	7.1
57.03436	5.5
57.07071	2.5
67.05505	9.6
69.07059	5.5
69.98713	2.1
70.06580	3.9
71.04987	0.8
71.06910	1.2
77.03903	0.9
79.05490	8.9
81.07059	10.4
83.04969	0.8
83.08621	4.2
85.06543	1.9
88.07610	5.7
89.07976	1.2
91.05481	26.9
91.06051	1.5
93.07034	10.3
95.04990	1.4
95.08601	7.9
97.06538	1.0
97.10161	1.1
102.09172	1.9
103.05463	0.9
105.07031	33.8
106.08665	2.4
107.08569	5.7
109.06525	2.8
109.10149	2.4
111.08067	0.7
115.05405	0.8
117.07009	6.6
119.08584	27.3
121.10155	2.0
123.08093	0.9
128.06181	0.8
129.07004	2.7
131.08574	8.0
133.10126	17.2
135.08095	1.3
135.11697	1.9
143.08553	2.3
145.10135	9.7
146.49828	0.7
147.11684	19.2
149.09612	2.8
157.10147	3.6
159.11656	10.8
159.12767	1.1
161.09746	0.8
161.13246	7.5
169.10158	1.0
171.11693	1.2
173.13290	3.7
175.11273	1.1
175.14844	1.4
183.11665	2.9
185.13232	6.6
191.14287	1.3
197.13327	1.0
201.16388	1.2
203.14348	6.2
219.17413	1.9
239.17961	4.0
257.19003	9.8
257.26669	1.5
266.04794	0.7
274.27383	7.2
275.20062	100.0
275.27731	45.9
276.20477	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	275.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.5
52.52922	0.4
53.03945	1.1
55.01864	1.6
55.05513	11.5
57.03444	3.1
57.07073	2.0
65.03932	0.6
67.05503	16.3
69.03416	0.6
69.07067	9.0
70.06587	2.1
70.72668	0.6
71.04982	2.0
71.08629	0.8
79.05039	0.9
79.05493	18.0
81.03406	0.6
81.07058	21.5
83.04983	1.9
83.08621	3.9
85.06543	1.2
88.07626	3.2
89.07962	0.8
91.05479	29.7
92.05766	0.5
93.06448	0.8
93.07043	16.3
95.04958	3.9
95.08609	12.2
97.06535	2.3
97.10176	1.3
100.20238	0.5
102.09158	1.0
103.05477	1.1
103.09506	0.4
105.07030	41.4
106.07378	0.5
106.08656	1.6
107.04957	4.0
107.08584	10.4
108.84192	0.5
109.06528	5.2
109.10164	4.9
111.08088	1.2
113.05978	0.5
115.05458	0.8
116.06202	0.8
117.07020	9.2
118.07813	0.7
119.08577	25.8
120.08926	0.8
121.06482	3.2
121.10136	6.3
123.08035	3.3
123.11710	1.1
125.09621	1.4
128.06256	0.6
129.07018	2.5
130.07773	0.6
131.04190	0.5
131.08568	10.9
133.06523	0.7
133.10124	25.8
134.10448	0.8
135.08072	3.5
135.11699	4.3
137.09657	2.4
137.10565	0.5
139.11180	0.8
141.06917	0.7
142.07845	0.6
143.08557	2.9
145.10124	9.2
147.08073	1.3
147.11685	15.6
148.11945	0.5
149.09605	5.5
149.13232	1.4
151.07538	0.5
151.11171	1.8
153.99089	0.5
155.08563	1.3
157.10092	2.6
159.08012	0.5
159.11684	7.7
160.12392	0.5
161.09627	1.3
161.13246	5.2
163.11148	3.6
163.14854	0.8
165.12799	0.8
169.10153	1.8
171.11682	1.7
173.13268	4.8
175.11171	1.7
175.14828	1.4
177.12729	1.2
183.11684	2.1
185.13231	3.0
187.11159	1.0
187.14760	0.7
189.12683	0.8
191.14362	0.8
193.12302	0.8
197.13243	2.3
199.14862	0.4
201.12813	1.5
201.16377	1.3
203.14337	2.4
205.12234	0.6
211.14790	0.7
212.77605	0.5
213.16364	0.9
215.14346	0.8
215.17937	1.1
219.13782	0.8
219.17493	1.1
224.60492	0.4
229.19463	3.1
233.15356	0.9
239.17931	4.5
247.20490	2.6
257.18982	8.9
257.26620	1.6
274.27441	4.6
275.20059	100.0
275.27744	24.3
276.20401	3.2
291.03854	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.79477	0.5
51.02379	0.5
53.03931	1.3
55.01865	2.2
55.05262	0.6
55.05512	11.6
57.03437	3.8
57.07074	2.3
65.03937	1.1
67.05505	17.3
69.03433	1.0
69.07065	10.1
70.06583	1.0
70.56506	0.9
71.04976	2.2
77.03928	1.5
79.05492	21.2
81.03402	1.0
81.07055	27.6
83.04976	2.5
83.08617	4.8
85.06532	1.1
88.07614	2.3
91.05480	35.1
93.07044	18.8
95.04956	4.5
95.08601	13.5
97.06526	3.1
97.10162	1.3
99.08100	1.0
101.06007	0.6
103.05453	1.5
105.04535	1.3
105.07027	46.5
106.08645	1.1
107.04949	5.4
107.07926	1.0
107.08593	11.9
109.06503	4.8
109.10150	4.6
109.98322	0.5
111.08085	1.9
115.05486	1.1
117.07014	9.7
119.08581	31.8
121.06511	4.0
121.10154	8.3
123.08082	4.4
123.11715	1.8
125.09653	1.1
128.06186	0.9
129.06989	1.6
130.07784	0.6
131.08559	13.8
133.06453	1.0
133.10127	31.8
135.08046	4.6
135.11708	5.2
137.09578	3.1
139.11099	0.7
141.06955	0.8
143.08539	3.2
145.10121	11.5
146.10905	0.7
147.08054	0.6
147.11684	16.4
149.09619	6.6
149.13206	1.1
151.11151	1.4
155.08530	1.6
157.10190	2.8
159.11681	9.2
161.09619	1.5
161.12077	0.5
161.13274	5.8
163.11169	3.5
169.10121	1.2
171.11700	1.8
173.09587	1.1
173.13237	4.1
175.11191	2.3
175.14821	1.6
177.12743	1.6
183.11714	1.7
183.81451	0.5
185.13255	1.9
187.11194	0.9
187.14864	0.8
189.12727	0.8
191.14297	1.0
193.12265	1.1
197.13261	1.8
199.14954	0.5
201.12737	1.2
201.16418	1.1
203.14336	1.8
208.99738	0.5
211.14725	0.6
213.16411	0.6
215.14288	0.7
215.17960	0.6
219.13797	0.9
229.19556	2.6
233.15381	0.7
233.19028	0.7
239.17928	5.1
247.20595	3.0
257.18994	9.1
257.26743	0.7
274.27362	2.1
275.20059	100.0
275.27722	12.0
276.20398	4.5
296.05139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03944	1.9
55.01872	4.7
55.05511	13.5
57.03444	1.7
57.07068	3.0
61.43280	0.4
65.03933	1.3
67.05504	24.4
68.99786	0.3
69.03426	1.7
69.07062	9.2
69.30280	2.0
71.04992	2.7
77.03925	1.0
79.05491	23.5
80.99953	0.5
81.03412	6.8
81.06564	0.7
81.07055	22.9
83.04984	3.2
83.08617	7.0
85.06546	2.6
91.05479	28.9
93.07043	21.8
95.04970	7.4
95.08602	19.9
97.06525	2.5
97.10152	2.3
99.08089	1.0
100.53884	0.3
103.05451	1.6
105.04507	1.4
105.07029	31.4
106.07337	0.4
107.04954	18.5
107.08592	14.8
107.09341	0.5
109.06524	5.1
109.10155	7.9
111.04426	0.5
111.08087	1.4
115.05451	0.7
116.06252	0.4
117.07014	8.6
119.04921	0.5
119.08576	21.9
121.06505	11.4
121.10140	9.6
123.04427	2.5
123.08064	10.7
123.11697	2.0
125.09628	1.6
129.06998	2.2
130.07753	0.7
131.08562	12.5
133.06488	2.5
133.10124	21.3
135.08052	5.2
135.11693	4.9
135.47578	0.4
137.09601	4.0
139.11163	0.5
141.06993	0.9
143.08607	2.3
145.06517	0.9
145.10118	11.4
145.11221	0.7
147.08041	3.5
147.11682	11.7
149.08476	0.5
149.09621	7.4
149.13257	2.1
151.11197	2.8
155.08556	1.2
157.10103	2.3
159.08022	1.2
159.11678	7.5
161.09625	1.5
161.13260	4.2
163.11177	5.5
163.14856	1.8
165.09126	4.6
165.12743	1.2
169.10141	1.8
171.11679	1.9
173.09662	0.9
173.13249	4.5
175.11188	1.5
175.14838	1.6
177.12727	3.6
179.10692	1.2
179.14232	0.5
181.12259	0.7
183.11659	2.3
185.13286	0.7
187.11177	1.7
187.14836	1.6
189.12753	1.4
189.16344	0.4
191.14285	1.4
193.12273	1.2
197.13242	1.7
201.12721	1.7
203.14432	0.6
205.12274	1.2
205.15906	0.6
213.16397	1.1
215.14349	1.3
215.17953	1.6
219.13701	0.8
229.19521	3.4
233.15361	1.2
233.19044	0.5
239.17931	3.3
247.20547	4.4
257.18994	9.5
275.20056	100.0
276.20398	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.02387	1.0
53.03934	1.3
55.01876	12.5
55.05511	16.3
57.03438	1.7
59.04995	1.0
65.03950	0.9
67.05159	1.3
67.05507	22.8
69.03439	0.9
69.07069	12.7
69.67397	2.1
69.67808	1.2
71.04988	1.7
77.03944	1.2
79.05042	1.5
79.05495	27.8
81.03448	1.3
81.07060	30.0
83.04976	3.1
83.08624	5.1
85.06564	1.1
86.28663	0.7
90.33847	0.6
91.05483	41.6
93.07049	21.0
95.01309	1.3
95.04984	4.0
95.08607	12.4
97.06535	12.0
97.10178	2.6
103.05467	2.2
105.04544	1.5
105.07035	67.9
107.04956	11.8
107.08593	16.1
107.09266	1.3
109.06535	3.2
109.10151	8.8
111.08099	1.5
115.05441	0.8
117.07023	12.1
118.06484	0.6
119.08591	32.4
120.08883	0.7
121.06526	1.4
121.10131	7.4
123.08070	1.8
123.11725	2.3
125.09654	2.9
129.07022	1.7
131.08577	15.4
133.10135	42.9
134.10463	1.4
135.08086	4.3
135.11713	3.6
137.09595	1.3
139.07535	1.1
142.25011	0.7
143.08553	2.1
145.10136	12.8
147.08194	0.9
147.11684	18.0
149.09627	21.0
149.13263	1.5
151.11185	1.2
155.10783	0.7
156.72536	0.8
157.10144	2.0
159.11682	7.3
161.13280	4.1
163.11169	3.3
165.09119	1.3
169.10132	1.6
171.11711	1.9
173.11819	1.5
173.13275	4.3
175.11171	1.4
175.14821	0.8
177.12688	1.6
179.14282	1.6
183.11722	1.8
185.13281	1.1
187.11223	2.1
187.13220	0.7
187.14850	1.2
195.79655	0.7
197.13260	2.2
205.12282	0.8
213.16336	1.0
215.14403	0.8
215.17932	1.1
218.94023	0.7
219.13860	1.1
219.17488	1.1
229.19525	4.8
233.15459	1.3
239.18008	2.5
247.20605	3.0
257.19028	12.0
274.18143	0.7
275.20068	100.0
276.20398	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	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03946	0.8
55.01880	3.1
55.05259	0.9
55.05513	12.7
57.03420	1.0
57.07071	0.9
57.20486	0.5
59.04994	0.5
62.14482	0.5
65.03938	0.9
67.05157	1.1
67.05503	17.9
69.07071	9.6
69.31760	1.2
69.32175	2.0
71.04990	1.1
73.06544	0.8
77.03913	1.0
79.05492	17.5
81.07056	22.2
83.04984	2.8
83.08610	4.3
85.06544	1.1
89.99894	0.5
91.05479	33.5
93.07046	18.0
95.04967	4.5
95.08604	12.1
96.38004	0.7
97.06535	3.3
97.10155	1.1
101.24736	0.7
103.05447	0.9
105.04523	1.3
105.07032	46.5
106.07401	0.7
107.04948	3.2
107.08591	14.3
109.06512	3.3
109.10160	5.7
111.08100	1.8
115.05444	0.9
117.07018	8.5
119.08579	26.6
121.06514	3.8
121.10157	7.3
123.08083	1.9
123.11734	1.5
125.09658	1.2
128.17696	0.7
129.06990	2.0
131.08571	11.5
133.06490	1.3
133.10129	29.7
134.10475	0.9
135.08070	2.9
135.11696	2.7
137.09596	2.2
143.08553	2.1
145.10133	13.8
147.08060	1.0
147.11688	19.2
149.09644	7.1
149.13235	1.6
151.11159	3.1
155.08623	0.8
157.10156	2.9
159.08047	0.8
159.11685	7.5
161.09619	1.3
161.13263	5.3
163.11185	4.5
165.09122	1.2
165.12740	1.5
166.31589	0.6
169.10123	2.3
171.11690	2.8
173.09662	0.7
173.13243	3.5
175.11209	1.2
175.14833	1.2
177.12775	2.0
179.14273	1.1
183.11688	1.5
185.13239	1.1
187.11192	1.9
187.14766	0.9
189.12689	1.1
191.14275	0.9
193.12279	0.7
194.09248	0.7
197.13268	2.0
201.12724	1.5
205.12209	0.9
211.14821	1.0
215.14281	1.4
215.17955	1.1
229.15950	0.8
229.19525	3.9
233.15462	0.9
239.17932	5.8
242.63127	0.7
247.20628	3.5
257.19012	11.3
275.20062	100.0
276.20551	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	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.02372	0.4
51.03994	0.4
53.03922	0.7
53.73962	0.4
55.01875	2.4
55.05508	9.8
57.03429	0.7
57.07068	0.8
59.05031	0.4
65.03938	0.8
67.05500	13.4
69.03433	0.7
69.07062	8.8
69.78096	1.3
71.04975	1.7
77.03925	0.7
79.05488	14.6
81.03436	0.6
81.06564	0.8
81.07055	13.7
83.04974	1.5
83.08611	3.4
85.06535	0.8
91.05477	26.5
93.07039	12.9
95.04957	3.7
95.08604	8.9
97.06519	2.1
97.10162	1.7
98.97604	0.5
103.05468	1.1
103.14465	0.4
105.04546	0.8
105.07024	43.1
107.04954	2.2
107.08588	12.8
109.06555	1.9
109.10159	4.9
111.08080	0.5
112.86246	0.4
117.07010	7.5
119.08573	27.8
121.06481	3.1
121.10141	6.2
123.08053	1.5
123.11711	1.2
125.09624	0.9
129.07007	1.6
131.08571	11.0
133.06544	0.7
133.10126	26.1
134.10458	0.5
135.08046	2.4
135.11688	3.4
137.09612	1.3
142.25139	0.4
143.08595	2.1
145.10120	11.7
145.11243	0.8
147.08015	1.0
147.11681	18.6
149.09607	5.9
149.13242	1.1
151.11179	1.1
155.08568	1.2
157.10080	2.0
159.08086	0.7
159.11716	6.8
161.09583	1.2
161.13260	4.8
163.11191	4.3
165.09122	0.9
169.10133	1.4
170.35223	0.4
171.11691	2.3
173.09607	0.6
173.13251	3.9
175.11186	1.3
175.14819	1.0
177.12758	1.7
183.11717	1.9
185.13225	0.9
187.11205	1.8
187.14928	0.6
189.12712	1.0
191.14249	0.6
197.13255	1.7
199.14911	0.4
201.12729	0.8
205.12292	0.6
211.14754	0.7
211.29413	0.4
213.16298	0.9
215.14243	0.6
215.17877	0.9
219.13773	0.7
228.17970	0.4
229.16075	0.5
229.19473	2.1
233.15298	0.7
239.17950	3.1
247.20576	1.4
257.18997	7.3
275.20047	100.0
276.20370	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	276.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84682	4.3
64.66149	4.8
67.05488	7.3
69.03403	5.6
69.21370	22.3
79.05492	19.0
87.82629	5.3
91.73085	6.4
95.04960	9.5
98.23429	10.7
103.48209	4.4
107.04933	7.5
109.02875	100.0
121.06489	5.7
123.04422	5.1
123.89613	5.1
133.81099	4.6
139.03894	9.6
139.07529	5.1
149.05969	12.0
151.03905	13.4
165.05490	31.9
177.05441	70.3
195.06564	6.1
209.08063	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	276.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01857	1.6
59.04997	3.5
63.07085	1.5
66.13378	1.4
67.05479	1.6
67.43588	1.3
69.03426	6.2
79.05497	11.5
81.03417	2.1
81.07055	2.0
83.50343	1.6
91.05507	1.5
93.07033	3.3
95.04957	7.1
97.02884	3.8
103.05475	2.2
103.25584	1.7
107.04967	10.7
109.02881	100.0
109.06538	2.6
121.06505	6.4
123.04421	4.8
131.04942	1.5
139.03900	9.4
139.07539	4.0
149.05984	8.2
151.03923	11.8
151.09912	1.8
155.57791	1.6
165.05467	33.6
167.07027	3.8
177.05466	63.7
178.05774	2.1
181.14561	1.6
195.06491	6.1
209.08078	50.4
210.08479	1.7
223.09715	3.6
223.71669	1.7
277.09122	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	277.0084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	6.7
64.90189	0.3
70.09200	0.7
70.09512	0.5
70.95885	0.4
85.27882	0.3
96.87465	0.3
98.97585	100.0
99.97932	0.4
101.00863	0.6
116.98624	51.4
119.01900	0.9
134.99655	16.4
135.11652	0.4
140.00186	0.9
153.00703	1.7
158.01219	0.5
161.02962	0.4
163.03917	0.8
177.00911	0.8
178.01045	0.4
179.00735	1.7
192.94876	0.5
196.27864	0.4
198.97551	0.3
202.75803	0.3
205.02335	1.5
210.96034	0.8
216.98727	0.7
219.02052	1.3
221.01707	0.5
234.95860	0.9
234.99754	0.6
235.03285	0.5
235.11967	0.3
240.98666	4.6
252.96938	1.3
258.99759	66.6
259.99893	2.6
276.97546	3.0
277.00818	76.5
277.04126	2.9
277.07526	2.0
278.01004	3.8
282.01254	1.1
294.98145	1.6
295.02023	0.6
295.05798	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44386	6.3
69.44794	4.8
87.45937	2.0
90.49236	1.8
97.02362	2.0
97.02877	11.9
101.00904	3.0
115.44279	1.8
116.53623	2.0
119.01953	4.2
127.03909	3.1
130.76535	1.8
143.01961	3.2
161.02989	6.4
199.48225	1.9
229.63191	2.0
241.98097	1.8
245.05280	3.4
275.97250	2.3
276.00278	1.9
277.03580	20.4
277.06366	5.3
277.09052	100.0
278.09424	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	277.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60161	5.0
56.96546	7.2
68.63058	4.5
69.03423	7.0
69.75363	14.2
71.37213	3.8
76.95992	4.0
85.02914	5.4
90.25068	4.1
91.89623	4.0
97.02890	8.1
98.97576	46.5
101.00867	25.0
102.38329	4.6
107.38885	4.1
116.07058	10.7
116.98606	13.5
119.01923	26.2
131.01903	13.0
136.74817	3.8
142.25752	4.8
143.01895	26.1
145.03450	8.5
155.01889	10.3
157.03429	10.0
161.02969	50.8
172.91986	4.3
173.02977	10.2
175.04541	5.2
185.02905	9.8
187.04568	4.9
187.08821	4.2
197.02968	5.4
203.03751	4.4
245.05081	23.6
255.86954	3.9
258.99640	21.6
263.06049	5.7
277.00662	9.8
277.03247	50.0
277.07150	100.0
278.07880	4.9
295.06992	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	277.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17352	0.3
56.96562	0.3
69.03428	2.2
70.89525	0.5
81.03441	0.7
82.99850	0.3
84.08147	0.5
85.02903	4.2
92.09948	0.3
93.48894	0.3
97.02891	15.5
98.97557	0.4
99.04478	0.4
101.00879	2.3
109.02919	0.3
115.03965	0.5
116.07085	2.0
116.98574	0.4
119.01914	3.9
121.01691	0.5
127.02415	0.5
127.03955	0.9
131.01970	1.2
133.03496	1.2
139.02699	0.5
140.09616	0.3
143.01907	2.7
145.03520	1.4
145.04999	1.3
155.01990	0.9
157.03535	1.0
161.02972	7.1
161.04515	0.3
163.06078	0.7
173.03044	1.4
175.04579	0.8
185.03006	1.4
187.04694	0.9
189.27513	0.4
191.04105	0.5
197.02998	0.8
203.04065	0.5
205.02916	0.4
205.05870	0.4
217.05698	0.6
231.00955	0.6
239.89337	0.3
245.05107	3.3
258.99872	0.4
259.06305	0.4
259.13278	0.4
263.02960	0.7
263.06174	0.5
272.54852	0.3
277.03345	29.7
277.09033	100.0
278.03635	0.8
278.09552	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
67.19841	0.3
67.97427	0.3
70.45992	0.4
85.02914	0.4
87.73657	0.3
91.64601	0.3
97.02868	0.7
108.70699	0.3
109.32112	0.3
124.62336	0.3
129.50154	0.3
131.31134	0.3
271.45789	0.3
277.08951	100.0
278.09299	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	277.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01865	12.0
55.05517	5.5
56.81238	1.1
57.03437	3.0
58.17171	1.0
61.14699	0.9
63.30258	1.0
67.05499	13.5
68.99805	1.2
69.03424	7.3
69.07063	1.2
69.47496	4.5
71.04991	23.8
71.05354	1.8
72.08157	4.3
77.03933	1.1
79.05492	13.2
81.03416	16.7
81.07048	6.4
83.04550	1.2
83.04963	6.4
84.08143	2.1
85.02904	8.8
85.98425	1.1
87.04453	1.4
91.05482	17.6
93.07045	19.2
95.04965	17.7
95.08604	3.4
96.85049	1.0
97.02907	2.2
97.06526	10.8
97.07642	2.7
99.04453	11.0
105.07016	1.9
106.06554	5.0
107.04957	4.4
107.08604	6.8
109.02898	7.9
109.06537	8.2
111.04451	6.2
111.08073	3.0
113.06007	13.9
114.10297	10.8
115.03939	1.9
115.05484	1.9
117.07018	22.6
119.04929	4.3
119.08585	2.6
121.06509	15.3
121.10168	1.7
123.04428	12.0
125.06087	1.6
127.03911	2.4
129.05490	4.9
129.07031	1.5
131.08560	10.0
133.06470	2.1
133.10193	1.3
135.04478	0.9
135.08057	22.6
137.05984	7.8
137.09567	1.3
139.03902	2.3
139.07530	14.8
141.05496	3.8
141.07007	1.8
145.04996	3.2
145.06435	6.5
146.06021	1.9
149.09628	2.9
153.09108	3.6
155.07027	45.3
157.08591	11.7
159.06543	4.7
159.08075	11.9
161.98164	1.1
163.03909	1.3
163.07535	20.4
169.06445	1.4
175.07562	1.5
177.09120	10.9
179.07051	2.2
179.10631	2.1
181.08591	47.1
187.07581	5.4
195.10210	4.2
199.09654	100.0
200.09930	2.0
205.08578	14.9
216.59212	1.2
223.09634	34.0
241.10716	33.5
277.09064	2.1
277.12350	2.1
277.15494	5.5
277.18607	1.6
278.10471	2.5
278.13773	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	277.1797
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
53.03948	0.5
55.01865	7.5
55.02132	0.4
55.05510	4.3
57.07084	1.8
58.07404	0.4
60.23793	0.2
65.03918	0.5
67.05505	5.1
68.05814	0.3
69.03409	0.5
69.07066	3.5
69.17749	1.7
70.06578	1.2
71.04991	0.6
71.06921	0.6
71.08617	0.9
77.46435	0.2
79.05491	7.9
81.03455	0.4
81.07055	31.4
82.07379	0.6
83.04984	1.9
83.08614	1.8
85.06561	0.3
88.07631	1.5
89.07948	0.8
91.05482	3.3
93.07046	5.1
95.04952	0.7
95.08017	0.4
95.08603	5.1
97.06506	1.3
99.08084	0.4
101.09641	0.4
105.07023	2.8
106.08639	0.3
107.08578	3.8
109.06516	12.6
109.10158	3.1
111.03667	0.7
111.04439	12.9
111.08077	1.2
119.08582	3.4
121.10140	3.8
123.08061	1.5
123.11712	1.3
125.05979	3.8
129.06981	0.6
131.08559	1.7
133.10115	4.2
135.08061	2.4
135.10757	0.4
135.11690	4.4
137.05972	100.0
137.13243	1.1
138.06265	1.7
139.07529	0.4
142.07755	0.5
143.08565	1.0
145.10132	1.5
147.08060	1.1
147.11682	4.2
149.02342	0.5
149.09613	2.7
149.13252	1.6
151.07578	2.5
151.11194	1.0
153.09142	0.5
155.08643	0.3
157.10081	1.3
159.11700	0.8
160.11995	0.3
161.09613	4.1
161.13287	2.1
163.11163	2.5
163.14815	0.7
165.09119	2.2
167.01659	0.3
167.10667	0.8
168.80939	0.3
171.11678	0.8
173.09460	0.3
173.13297	0.3
175.11188	3.5
175.14824	0.9
177.12791	0.6
179.10701	1.7
181.12234	0.5
184.12502	0.3
185.13219	0.4
189.12743	1.2
193.12248	1.0
203.17970	5.1
205.19508	0.5
207.13736	0.4
213.16389	2.2
221.18983	1.6
223.14787	0.7
231.17445	7.0
241.15901	1.0
249.18475	5.0
258.27148	0.5
259.20422	0.5
276.28009	8.7
277.17978	9.5
277.21396	4.1
277.28278	8.5
278.18320	0.6
295.18909	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
51.02372	0.5
52.03178	0.5
53.03933	1.9
54.71819	0.5
55.01873	7.3
55.05258	1.0
55.05512	16.2
57.03436	1.8
57.07071	4.0
59.05014	0.7
65.03938	1.8
66.94221	0.6
67.05505	36.2
68.05824	0.8
69.03427	1.2
69.07069	14.6
71.05004	3.4
71.08267	1.0
71.08633	13.6
77.03930	1.1
79.05494	37.7
80.05832	0.8
81.03413	4.2
81.07057	37.5
83.04979	3.9
83.08623	9.5
85.06535	2.1
85.10213	0.6
91.05479	21.9
93.07044	52.4
94.07390	0.7
95.04964	10.3
95.08607	22.4
97.06514	6.5
97.10162	3.2
99.07453	0.7
99.08094	12.1
105.04529	2.1
105.07030	15.4
107.04971	3.6
107.08592	28.5
108.05692	0.6
108.86006	0.5
109.06505	4.4
109.10160	9.7
111.08078	7.0
113.06031	0.6
113.09653	1.3
117.07013	5.4
119.06120	0.8
119.08581	12.1
121.06511	2.1
121.10144	18.7
123.08058	3.5
123.11709	3.1
125.09634	2.0
129.06990	2.9
131.08557	4.8
133.10126	12.0
135.08081	2.0
135.11687	19.4
137.09610	2.4
137.13260	1.4
139.11182	1.5
141.12753	2.1
143.08536	3.5
145.10138	6.6
147.08057	0.8
147.11674	10.0
149.02354	1.9
149.09637	2.5
149.13251	12.5
150.13647	0.6
151.11165	9.3
151.12274	0.8
153.09180	0.6
153.12730	1.6
157.10095	2.9
159.11678	2.7
161.09579	1.8
161.13255	9.5
163.11176	11.6
163.13576	0.7
163.14803	4.9
165.12753	4.6
167.10739	0.6
169.12263	1.2
171.11710	4.2
173.13239	2.8
175.11197	2.1
175.14818	2.9
177.12718	1.9
177.16443	1.4
179.10669	0.7
179.14316	4.0
181.12227	1.6
185.13217	3.1
189.12764	1.7
189.16417	0.9
193.12172	0.7
193.15889	1.0
195.13777	1.0
199.14784	1.8
203.14357	1.0
207.13765	2.6
207.20935	0.6
209.15355	0.9
213.16336	0.8
215.17981	0.6
217.15906	0.7
217.19504	1.3
221.15350	3.4
231.17511	0.9
231.21126	2.9
232.76738	0.7
235.16887	1.6
241.19502	4.5
249.22177	1.5
259.09714	0.7
259.20596	12.6
277.21619	100.0
278.21954	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	277.2163
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03942	3.0
55.01876	5.4
55.05510	24.2
56.93742	0.7
57.07074	5.0
65.03939	1.3
67.05505	38.5
69.03429	1.5
69.06712	1.3
69.07067	19.6
71.04990	2.6
71.08626	3.3
73.06554	1.5
77.03914	1.6
79.05491	68.6
81.03412	1.9
81.07056	49.1
82.07355	1.3
83.04980	4.1
83.08619	11.9
85.06526	3.7
87.04494	0.8
90.91833	0.8
91.05476	30.5
93.07043	100.0
94.07381	0.9
95.04965	11.9
95.08603	30.7
97.06518	3.6
97.10159	3.6
99.08078	3.4
105.04528	4.1
105.07027	19.6
107.04953	1.9
107.08591	52.8
109.06521	5.6
109.10165	14.8
111.08082	1.9
115.05470	1.1
117.06996	4.1
119.06074	1.3
119.08578	16.6
121.06490	1.8
121.10147	38.8
122.10422	1.4
123.08047	3.3
123.11707	4.4
125.09634	4.5
129.06998	2.8
131.08563	6.9
133.10127	13.4
135.08026	1.9
135.11691	44.9
136.11919	1.1
137.05933	1.5
137.09599	2.4
137.13260	1.6
139.11183	1.7
142.12791	0.9
143.08543	3.6
144.58379	0.9
145.10124	5.3
147.08029	2.1
147.11688	11.1
149.02295	1.4
149.09601	3.0
149.13248	22.7
151.11143	2.8
157.10136	2.9
159.11702	3.2
161.09584	2.1
161.13255	7.5
163.11234	3.6
163.14796	6.6
165.12686	2.0
167.10645	1.5
171.11679	4.4
173.13246	3.0
175.11188	2.3
175.14830	3.7
177.12735	1.7
179.10681	1.1
179.14310	2.6
181.12222	1.5
185.13283	3.3
189.12787	1.5
193.12280	2.0
195.13795	1.6
199.14786	1.6
207.13753	2.6
213.16371	2.6
217.19473	1.0
221.15355	3.2
228.91173	0.9
231.00505	0.9
231.17508	1.3
231.21120	2.3
235.13301	1.3
235.16988	3.7
241.19521	3.3
249.22075	1.5
259.17105	0.9
259.17935	1.1
259.20572	8.2
277.21622	98.8
278.17566	1.3
278.21857	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	277.2164
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
53.03956	1.6
55.01859	1.6
55.05512	17.8
55.21392	1.0
57.07073	2.9
65.03943	1.5
65.47915	0.8
67.05504	28.9
69.07069	14.9
69.73530	2.2
69.73907	2.2
71.04992	2.0
77.03932	2.1
79.05492	64.5
79.87244	0.8
80.05891	0.9
81.06591	1.2
81.07056	34.6
83.05008	1.8
83.08614	8.6
85.06539	1.9
91.04937	1.9
91.05477	23.6
93.07045	100.0
94.07394	1.6
95.04959	5.8
95.08610	22.0
97.06512	2.9
97.10177	3.2
105.04514	3.1
105.07027	10.0
107.08596	51.2
108.08901	1.1
109.06545	1.9
109.10162	13.3
117.07043	3.1
119.06129	0.9
119.08592	9.8
121.10143	36.1
122.82542	0.8
123.08057	1.3
123.11689	2.7
129.07001	2.9
131.08582	3.0
133.10143	11.5
135.08067	1.3
135.11693	52.4
137.05934	1.0
137.09621	0.9
143.08604	1.6
145.10118	2.7
147.07976	1.1
147.11696	5.8
149.13249	21.6
151.72951	0.9
157.10098	1.8
159.11696	2.3
161.13245	3.8
163.14838	5.0
171.11693	3.4
175.11295	1.1
175.14850	1.7
185.13321	2.2
189.12849	1.1
193.12206	1.4
195.13850	1.5
199.14783	2.0
207.13803	2.2
213.16165	1.6
221.15404	3.0
235.16994	2.8
241.19595	1.8
259.20523	3.5
277.21625	68.4
278.22003	1.8
283.07919	1.0
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	Stearidonic Acid
Peak:m/z	Relative Intensity
53.03939	2.0
55.01864	1.2
55.05258	1.4
55.05510	17.9
57.07067	2.8
65.03931	1.0
67.05161	1.9
67.05502	31.1
69.07067	15.1
69.91516	2.4
71.04957	1.9
77.03931	3.3
79.05490	70.2
81.07054	35.6
83.04987	1.8
83.08622	8.7
85.06528	1.4
91.04942	1.6
91.05480	21.4
93.07042	100.0
94.07364	1.0
95.04978	6.1
95.08601	25.8
97.06532	2.5
97.10172	5.6
100.42487	0.9
101.05901	1.0
105.04525	2.9
105.07013	15.3
107.08591	53.7
109.06483	1.6
109.10148	17.9
111.08086	1.3
113.62481	1.0
117.07002	5.0
119.08572	12.7
121.10141	58.0
122.10441	1.0
123.11689	3.4
125.09646	1.2
129.06984	1.8
131.08542	4.9
133.10126	15.4
135.11691	66.1
137.09660	1.1
137.13292	1.3
139.11232	1.6
143.08565	3.3
145.10118	2.9
147.11678	7.4
149.09637	2.4
149.13254	28.9
157.10100	2.5
159.11690	3.9
161.09502	1.1
161.13266	5.8
163.11125	1.4
163.14818	9.0
165.12761	1.3
167.10693	1.2
171.11687	4.2
173.13292	2.8
175.11102	1.6
175.14745	2.7
175.16193	1.1
177.12775	1.5
181.12239	1.1
185.13258	3.4
189.12669	1.2
193.12257	3.0
195.13766	2.9
199.14824	2.5
203.14406	1.1
207.13811	4.0
210.76465	1.1
213.16354	1.5
217.19310	1.2
221.15321	3.5
231.17313	1.2
235.16988	5.6
241.19542	3.4
243.57851	1.0
259.20517	5.3
277.21613	98.5
278.21924	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	277.2163
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03941	2.2
55.01859	0.9
55.05511	19.1
57.07068	2.7
57.30971	0.8
62.78822	0.7
67.05505	32.4
69.07070	14.8
69.44289	2.7
71.04992	2.1
71.08666	0.8
77.03941	2.5
79.05492	76.6
80.05817	0.9
81.07059	33.1
83.04973	1.4
83.08614	7.7
85.06532	2.1
86.94399	0.8
91.05481	30.5
93.07045	100.0
94.07352	2.3
95.04987	8.4
95.08606	22.1
97.06514	1.6
97.10156	4.1
99.08096	0.8
101.05978	0.8
105.04502	2.3
105.07035	14.3
107.08592	48.7
107.69871	0.9
109.06525	1.5
109.10156	12.2
117.07018	3.3
119.08575	11.6
121.06494	0.9
121.09260	2.0
121.10141	39.9
123.11695	2.6
125.09576	1.0
129.06964	1.7
130.43114	0.8
131.08533	3.5
133.10127	11.9
135.11696	44.7
137.13297	0.9
143.08566	2.1
145.10114	2.0
147.11674	5.0
148.97029	0.9
149.09602	1.3
149.13261	22.2
150.13589	0.9
157.10143	2.5
159.11684	2.5
161.13264	5.0
163.14796	4.7
171.11667	2.2
173.13251	1.9
175.11215	1.1
175.14830	2.8
177.12759	1.1
181.12268	1.4
185.13286	3.2
193.12149	1.2
195.13808	1.7
199.14760	1.4
207.13734	1.4
213.16313	1.3
217.15955	1.1
221.15416	3.7
231.17441	1.1
235.16933	3.3
241.19559	1.9
259.20609	3.0
277.21631	70.2
278.21869	1.9
286.64014	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
51.02379	1.0
53.03940	2.7
55.01868	1.7
55.05262	1.3
55.05512	17.6
57.03424	1.6
57.07062	2.4
59.04982	0.8
59.49787	0.7
65.03933	1.4
67.05505	37.0
69.07072	15.7
69.27549	1.7
69.27958	2.7
71.04988	2.1
71.08629	19.3
77.03919	2.6
78.19481	0.7
79.05492	64.3
80.05803	0.8
81.03414	4.6
81.07055	44.9
82.07399	0.9
83.04976	4.4
83.08621	7.8
85.06539	2.7
91.05476	26.2
93.07044	89.2
94.07378	1.6
95.04984	9.3
95.08604	29.8
95.09219	1.6
97.06517	4.6
97.10175	4.9
99.08086	15.3
100.91460	0.7
105.04498	3.3
105.07037	17.8
107.04956	3.3
107.08594	50.0
108.08874	1.3
109.06508	3.2
109.10155	13.2
111.08080	1.9
111.11711	0.9
117.06985	3.1
119.08574	12.8
120.08874	1.0
121.10143	40.8
123.08051	2.3
123.11702	3.4
125.09652	1.0
129.07024	1.9
131.08591	4.6
133.10133	11.0
135.08093	1.5
135.11691	54.1
137.09633	2.4
137.13260	0.9
139.11131	0.9
141.09079	1.4
143.08604	2.0
145.10150	4.1
147.11688	5.8
149.09697	1.0
149.13257	18.8
151.11186	9.9
157.10150	2.4
159.11684	3.1
161.09596	1.4
161.13272	6.4
163.11203	3.8
163.14786	5.2
165.12755	1.0
167.10655	2.8
171.11664	2.2
173.13239	2.0
175.11227	1.1
175.14809	2.1
177.12796	1.9
179.14302	31.2
185.13214	2.2
189.12727	2.4
195.13835	3.3
199.14781	1.3
203.14302	1.4
207.13834	1.4
213.16472	0.9
217.15837	1.1
217.19559	0.9
221.15372	4.8
231.17448	1.1
231.20930	1.0
235.16988	3.7
241.19499	2.7
259.20630	6.0
277.21625	100.0
278.21970	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	277.2164
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03937	2.3
54.35200	0.6
55.05510	17.8
57.07071	2.7
65.03932	2.0
67.05504	30.1
69.03425	0.9
69.07066	14.9
69.07442	0.9
69.19280	4.0
71.05000	2.0
71.08633	1.2
73.06565	0.9
77.03915	3.4
79.05492	75.1
80.05833	1.0
81.07054	36.5
83.04978	2.4
83.08616	7.6
85.06538	1.9
91.05475	26.1
91.06046	0.9
93.07044	100.0
94.07381	1.6
95.04962	9.4
95.08607	26.6
97.06531	2.5
97.10155	3.9
99.08089	1.6
105.04509	3.3
105.07037	15.2
107.08590	52.9
108.08928	1.2
109.06509	2.5
109.10153	12.6
111.08101	1.0
117.07011	3.7
119.06112	1.6
119.08569	11.5
121.10143	45.9
122.10520	0.9
122.16320	0.6
123.08064	1.7
123.11718	3.2
127.07619	0.6
129.07024	2.3
131.08577	4.6
133.10139	11.9
135.08162	1.3
135.11694	46.4
136.12030	1.4
137.06010	0.8
137.09621	1.0
137.13298	0.7
141.31010	0.6
143.08537	2.5
145.10103	2.2
147.11684	8.5
149.09598	1.4
149.12097	1.4
149.13251	23.0
151.11179	0.8
157.10103	1.8
159.11758	3.7
161.09560	1.4
161.13269	4.1
163.11134	1.8
163.14810	5.7
167.10764	1.0
171.11682	2.7
173.13269	2.2
175.11253	1.2
175.14790	2.1
177.12767	1.2
177.16428	1.0
181.12201	1.0
185.13266	2.8
189.12814	1.2
193.12282	1.5
195.13786	2.2
199.14813	2.2
207.13831	2.5
209.15305	0.6
213.16353	1.6
214.19002	0.7
217.15894	0.7
217.19386	1.0
221.15327	3.5
231.17477	1.1
235.16853	4.4
237.42053	0.6
241.19530	2.2
259.20547	4.3
277.21622	89.4
278.21918	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03936	3.3
55.01871	10.3
55.05261	1.3
55.05511	20.2
57.07066	4.4
59.04961	1.3
65.90362	1.1
67.05499	37.7
69.07068	18.0
71.04971	3.8
71.08619	3.5
76.94653	1.0
77.03913	2.9
79.05489	81.0
80.05814	1.1
81.03410	1.2
81.07053	71.7
82.07390	1.3
83.04958	4.3
83.08626	7.9
83.98911	1.1
85.06544	2.4
91.04951	1.9
91.05480	30.7
93.07040	100.0
94.07337	1.6
95.04965	12.3
95.08601	33.6
97.06504	3.1
97.10145	2.9
97.99014	1.2
98.22713	2.7
99.08067	2.6
105.04518	4.7
105.07034	21.8
107.08588	51.4
109.06512	13.7
109.10156	14.0
111.04437	11.0
111.08073	3.1
117.07035	5.4
119.06091	2.0
119.08575	16.5
121.06515	1.3
121.09263	2.4
121.10140	45.6
123.08066	2.3
123.11697	5.0
125.05973	3.9
125.09545	1.3
127.07567	1.2
129.06993	1.7
131.08609	6.2
133.10118	16.4
135.08066	3.1
135.11685	44.3
137.05969	99.1
137.09544	2.2
137.13232	3.8
138.06265	1.4
139.11064	1.5
143.08563	2.8
145.10097	5.0
146.59100	1.0
147.08038	1.7
147.11696	12.2
149.02277	1.9
149.09653	5.1
149.13237	21.9
151.07530	1.4
151.11157	2.6
157.10103	2.8
159.11668	3.5
161.09607	6.1
161.13226	6.8
161.14351	1.1
163.11165	5.1
163.14824	6.5
165.09038	2.3
165.12772	2.1
171.11694	4.5
173.13223	3.2
175.11183	5.0
175.14789	3.4
177.12793	2.3
179.10703	2.3
181.12218	1.0
185.13229	3.3
189.12743	4.2
193.12178	1.5
195.13802	2.1
199.14948	1.4
203.17940	4.5
207.13808	1.3
213.16328	1.8
221.15359	3.7
221.18871	1.9
231.17482	6.6
235.13281	1.5
235.16920	2.9
241.19478	2.3
249.18472	4.1
259.20609	6.0
263.31030	1.2
273.36578	1.2
277.08926	1.8
277.18057	9.6
277.21585	74.9
278.21930	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	278.1024
Annotation	N-Hydroxyannomontine
Peak:m/z	Relative Intensity
55.01856	0.3
57.03439	0.2
57.07055	0.7
68.74794	0.3
69.03403	0.3
69.74075	0.5
69.74474	0.5
85.02899	1.3
91.05456	0.6
117.05742	1.0
118.06535	13.6
130.06497	0.7
132.08113	0.4
133.08818	0.3
138.09120	0.3
144.08047	1.4
145.05165	0.5
145.08856	0.8
146.06000	6.6
146.09657	0.4
147.06670	0.3
148.07549	1.0
148.11197	3.3
149.02336	5.3
164.07056	0.6
172.07593	0.6
173.08295	0.4
174.05489	1.7
174.09099	0.6
176.07050	0.5
178.08688	0.6
185.84802	0.2
190.08615	38.3
191.09012	1.1
196.58905	0.3
202.08568	0.7
204.10216	0.4
206.08139	2.6
218.08113	10.5
219.08675	0.5
220.09691	4.2
232.09666	0.7
233.10399	0.4
244.11662	0.3
246.07622	6.8
248.09142	2.7
250.10733	1.0
260.09235	0.3
278.10229	100.0
278.13623	6.5
279.10593	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	278.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53953	2.6
55.05513	4.0
56.05028	4.2
57.07064	10.0
58.06593	7.3
59.05000	2.3
67.05506	4.5
69.07066	6.6
69.88902	4.7
69.89244	3.1
71.04978	4.8
74.06071	3.3
79.05470	5.6
81.03422	8.0
81.07062	6.3
83.04964	4.0
83.08622	3.1
86.06055	4.3
88.07640	22.9
89.38371	2.2
91.05440	5.0
93.07042	6.1
95.08613	2.6
97.06525	2.5
104.07098	3.0
105.07011	5.2
107.08543	5.3
119.08646	3.7
121.02906	2.2
121.10178	2.9
127.79796	2.1
131.08578	3.2
132.10204	5.3
133.10100	3.3
135.06262	2.1
141.08437	2.3
149.02342	29.4
149.09676	3.1
166.10806	3.0
175.11205	6.2
186.18524	36.2
186.50728	2.1
193.12285	8.2
199.13206	3.0
211.13286	29.8
230.21152	12.4
260.22089	2.3
278.17838	5.2
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	279.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	15.4
57.43902	2.2
69.92926	3.9
69.93274	4.5
84.96028	5.1
85.08989	2.4
85.95300	2.5
94.40840	2.2
98.23456	3.0
98.97587	100.0
104.10765	3.4
110.33179	2.3
110.97572	7.3
116.98624	24.0
124.99117	3.9
128.98610	4.4
130.71980	2.4
131.00168	3.9
132.90968	2.2
134.99663	3.8
136.94058	7.9
140.98605	6.1
143.00157	13.7
149.02353	5.3
158.99660	45.8
161.01257	5.5
177.00722	32.1
189.00717	3.1
191.18756	2.3
219.01813	12.6
221.01874	5.6
237.02808	57.7
255.03905	44.6
257.19763	2.5
279.04727	92.6
280.09204	4.0
297.04950	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	279.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22726	2.5
51.07670	2.3
56.96566	10.5
65.87939	2.5
70.23188	6.7
73.99162	2.8
75.83527	2.7
78.95641	2.4
87.03265	2.4
94.97629	2.5
96.75388	2.6
98.97581	100.0
104.10720	2.9
110.97587	8.0
116.98600	21.4
118.09300	2.8
123.02501	2.8
124.99152	4.6
128.98599	4.2
134.99629	3.8
140.98579	4.0
143.00146	11.0
149.02312	4.8
153.61986	3.0
158.99644	41.8
161.01183	4.5
177.00725	34.2
189.00822	3.0
201.89133	3.2
214.05241	2.7
219.01726	11.7
221.01913	2.8
237.00531	4.6
237.02808	42.2
255.03879	24.5
279.04678	67.1
297.04953	9.9
297.63837	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	279.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57499	4.2
56.96550	6.0
65.12984	4.2
69.66975	14.0
69.67303	4.8
98.97583	85.9
103.56198	4.5
110.97529	9.3
116.98651	24.9
124.99162	5.1
140.79654	4.7
140.98584	4.7
143.00182	11.2
149.02354	13.1
158.21980	4.6
158.99666	41.4
177.00731	30.4
219.01799	12.4
231.31508	5.4
237.02806	40.2
255.03789	28.2
279.04739	100.0
279.09451	13.0
297.04904	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	279.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27989	1.4
53.03941	6.0
55.01864	11.3
55.05507	8.8
57.07072	14.5
61.72692	1.3
65.03943	2.0
67.05502	32.9
69.07063	48.4
71.08645	2.7
71.45954	1.8
79.05487	21.3
81.03422	12.9
81.07048	37.6
83.04980	6.6
83.08624	3.1
85.06544	3.2
91.05470	13.9
93.07037	22.6
94.07375	1.4
95.04974	11.8
95.08616	18.3
97.06527	21.8
98.97601	2.4
99.08037	1.7
104.99268	5.6
105.07015	12.0
107.04947	18.1
107.08586	17.3
109.06519	18.7
109.10140	6.8
111.90910	1.2
117.07005	11.0
119.08568	5.8
120.81078	1.5
121.02850	4.9
121.06515	3.7
121.10136	13.7
123.08051	5.5
123.11707	4.9
125.06066	6.9
126.06329	5.8
129.07030	2.1
131.04948	3.9
131.08562	22.2
133.06493	17.3
133.10088	7.5
135.08069	11.4
135.11728	1.5
137.09633	3.2
137.13239	1.6
141.07033	1.7
145.10115	4.6
147.11757	1.8
149.02332	100.0
149.08473	2.4
149.09622	34.0
150.02647	3.2
151.07518	2.0
151.11177	3.2
156.33078	1.2
159.08067	8.2
159.11646	3.2
163.11171	1.9
164.32526	1.5
173.13304	1.5
177.09088	18.4
179.10547	1.5
180.11023	1.6
191.10664	1.9
201.04622	2.3
201.16397	2.5
206.19901	2.9
219.05705	6.0
219.17432	1.8
229.15891	4.2
235.69196	1.6
247.16859	7.9
261.18484	2.6
279.09323	9.3
279.19516	16.1
279.23044	6.2
280.26395	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.232
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03939	0.8
55.05511	7.8
56.96572	0.6
57.07071	3.7
59.36386	0.5
63.46633	0.6
65.03934	3.2
67.05504	100.0
68.05845	0.6
69.07074	8.1
69.22340	3.0
71.04996	1.4
79.05494	12.0
81.07056	96.0
82.07399	1.7
83.04998	1.2
83.08620	5.8
85.06547	1.6
87.04442	0.5
91.05477	3.5
93.07047	11.5
95.04966	1.2
95.08605	75.9
96.08929	1.6
97.06527	1.3
97.10159	2.4
99.08073	0.5
101.05991	0.5
104.99274	5.4
105.04548	0.8
105.06992	2.5
107.08587	8.1
109.06528	0.7
109.10153	25.6
117.07047	2.2
119.08588	2.1
120.40411	0.4
121.02879	0.9
121.10152	6.3
123.08087	1.5
123.11706	16.4
125.09630	0.9
127.07584	0.7
131.08569	4.9
133.10136	2.2
135.08015	0.8
135.11684	5.3
137.09624	1.2
137.13258	11.3
139.11053	0.5
143.08704	0.5
145.10127	2.6
147.11691	1.8
149.02341	23.5
149.09668	1.5
149.13235	3.2
150.02667	0.6
151.11259	1.0
151.14790	3.8
153.09109	0.7
159.11728	3.3
161.13249	2.1
163.11205	1.5
163.14827	1.8
165.16400	0.7
167.10664	1.1
173.13237	5.9
175.14828	0.5
177.12802	1.7
177.16362	0.6
179.14432	0.6
181.12253	1.5
187.14835	1.7
191.14320	1.6
195.13756	3.0
201.16397	0.6
205.15858	0.6
206.10922	0.6
209.15306	3.5
219.05696	2.5
219.21022	0.5
223.16931	3.4
237.18604	1.0
243.21117	2.4
261.22195	1.9
272.31342	0.5
279.09378	3.3
279.18036	1.0
279.23184	27.5
280.23575	1.0
283.72498	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1544
Annotation	Metalaxyl
Peak:m/z	Relative Intensity
50.94777	0.3
53.10564	0.3
55.05512	1.6
57.03436	0.6
57.07077	0.5
59.05003	4.7
65.03905	0.3
67.54481	0.3
69.27692	1.7
73.06538	0.9
79.05521	0.3
80.05015	0.4
85.02895	0.5
86.89937	0.3
91.05497	0.3
92.04955	0.3
106.06551	0.5
110.06028	0.8
118.06549	0.8
119.07389	0.3
120.08100	100.0
121.08425	1.7
148.07526	0.9
149.02332	3.2
150.02687	2.6
150.09106	0.6
151.09927	2.3
164.07108	0.7
166.08638	0.5
178.08522	0.3
220.13313	85.7
221.13708	2.2
223.88147	0.3
228.98788	0.3
235.70757	0.3
236.09184	0.7
238.61612	0.3
248.12874	1.6
248.16374	0.8
249.07385	0.3
280.08200	1.7
280.15433	56.4
281.15720	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75486	0.2
53.03947	0.3
55.05505	2.0
57.03423	0.7
57.07066	0.6
59.05003	4.1
61.28183	0.3
65.03926	0.3
68.57540	0.2
69.07066	0.3
69.19283	0.5
69.19693	0.9
73.02928	0.4
73.06560	0.8
74.13314	0.3
74.32072	0.3
79.05493	0.3
83.04971	0.4
85.02885	0.9
91.05475	0.4
92.04990	0.4
100.11288	0.2
102.10569	0.3
109.02943	0.2
110.06022	1.0
118.06525	1.2
119.07326	0.5
120.08102	100.0
121.08418	1.5
130.06522	0.4
148.07574	0.6
149.02330	4.2
149.22260	0.3
150.02669	4.1
150.05493	0.8
150.09116	0.3
151.09856	0.4
163.03963	0.7
164.04193	0.5
164.07072	0.7
175.99138	0.3
178.08633	0.8
196.09706	0.5
204.06628	0.4
220.13316	90.8
221.13734	2.4
234.14908	6.0
236.09196	0.7
248.12878	1.1
249.07335	0.3
262.14426	0.4
280.08609	2.1
280.15424	52.3
281.09979	0.6
281.15839	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07048	1.0
57.07050	1.0
67.05497	1.5
69.03423	2.3
69.35950	4.4
78.53050	1.0
79.05477	3.8
81.03407	1.4
81.07050	1.6
81.84128	1.0
82.31106	1.1
87.04452	2.9
89.48598	1.1
91.05460	5.3
93.07033	2.6
95.04967	2.4
97.02913	1.6
101.74057	1.0
103.05456	2.0
105.07025	4.9
107.04943	4.6
107.08597	1.8
115.05508	1.9
117.07034	3.0
119.08604	9.1
121.06512	1.3
121.10116	5.0
123.04375	1.4
128.06207	4.3
128.65958	1.1
129.06998	19.5
131.04955	2.2
131.08566	3.8
133.06502	3.5
135.04376	1.2
142.07799	1.0
145.06516	1.7
145.10150	1.5
147.08043	5.2
149.02354	1.4
150.02692	1.4
157.06497	10.1
159.04471	2.5
159.08060	1.5
163.03886	5.7
164.07014	2.9
165.05484	3.0
175.07584	9.3
177.00635	1.9
178.08646	1.1
185.05965	2.5
189.09091	2.5
201.60985	1.0
203.07098	5.5
208.09689	11.0
217.04727	4.9
217.08554	1.9
218.39134	1.0
221.08089	2.3
231.06470	2.4
235.09669	4.2
249.07347	100.0
250.07645	2.2
281.09952	53.8
282.13437	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	281.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81334	1.0
54.45317	0.9
55.01881	2.8
55.05505	1.4
57.63386	1.1
61.10508	1.0
67.05489	3.4
69.03424	3.0
69.07041	2.3
69.18762	4.3
69.19176	2.8
72.08163	1.3
79.05486	3.7
81.03416	1.4
81.07064	5.1
83.04971	1.2
85.06544	1.7
87.04462	1.9
91.05463	5.0
91.10711	1.1
93.07014	3.8
95.04966	3.4
95.08594	1.8
97.02890	1.5
97.06495	1.3
105.07024	5.5
107.04958	2.6
107.08577	3.0
109.06519	1.6
109.10202	1.3
111.08075	1.4
117.07013	2.5
119.08571	4.0
121.06512	2.3
121.10156	2.0
123.04467	1.7
129.07010	3.6
131.08577	3.0
133.06502	1.8
133.10124	2.5
135.04367	1.4
135.08089	1.2
139.07524	1.2
143.08556	1.0
145.06500	2.1
145.10153	2.0
147.08002	2.4
147.11659	3.9
149.02357	1.9
149.09680	1.4
150.02754	1.3
151.02817	1.0
153.09064	1.3
157.06491	3.1
157.10176	1.2
159.11708	1.5
161.09621	1.6
161.13202	1.5
163.11147	1.1
164.07109	2.4
165.05478	6.8
175.07582	2.0
177.05365	1.5
177.12842	1.1
178.08708	1.4
181.06775	1.6
185.06012	1.2
191.14378	1.3
194.08235	1.3
203.07106	2.3
208.09648	5.6
212.09206	1.7
213.09592	2.4
222.11234	3.6
235.09442	2.9
245.15421	2.5
249.07362	8.9
263.16354	5.5
281.09952	100.0
281.17355	5.4
282.10461	1.9
282.13339	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.3
53.03951	2.4
55.01869	5.1
55.05508	0.7
57.03428	0.8
61.42479	0.7
65.03943	2.0
67.05502	10.0
69.03429	2.7
69.17800	4.0
71.01357	2.1
71.04996	2.1
72.08179	0.7
74.44407	0.7
77.03928	2.4
79.05489	16.8
81.03413	2.9
81.07053	2.9
83.01338	2.2
85.02898	1.3
85.06554	1.1
86.06062	4.5
91.05477	17.6
93.07040	3.1
95.01317	0.9
95.04967	28.2
95.08596	1.5
97.02905	2.3
99.04466	1.1
103.03966	0.9
103.05470	3.1
105.03401	14.8
105.04529	2.9
105.07024	19.6
107.04952	9.5
107.08612	2.4
109.02924	1.8
109.06489	4.3
112.80898	0.7
115.03951	0.7
115.05471	5.3
116.06256	1.1
117.07025	7.1
117.41029	0.7
119.04922	2.1
119.08573	8.1
121.06502	0.8
121.10115	1.0
123.04419	17.4
125.02375	1.6
125.50306	0.7
127.03906	0.7
128.06210	8.3
129.07001	25.5
131.04953	5.0
131.08566	6.5
132.05727	1.4
133.02846	43.4
133.06471	15.9
135.04436	6.1
135.08066	1.6
136.51395	0.8
137.05971	6.3
139.03900	3.8
141.05492	0.9
141.07010	3.3
143.04939	0.9
143.08559	0.8
144.05653	0.9
145.06480	5.9
147.04436	1.7
147.08054	15.4
149.02364	1.4
149.05956	1.4
151.02693	1.4
151.03894	24.3
151.07588	1.5
153.05460	1.5
155.06007	1.8
155.07079	1.7
157.06480	24.0
159.04405	1.3
159.08034	4.9
161.02335	31.1
161.05957	7.8
163.03917	2.1
163.07573	1.5
165.05475	100.0
166.05742	1.7
167.04863	0.9
167.07031	1.4
169.06479	1.1
175.03932	2.8
175.07532	24.4
179.03375	13.7
179.07050	2.5
183.06491	3.9
184.05188	0.8
185.05969	22.0
187.07523	3.1
189.05504	2.3
189.09058	1.3
193.04977	5.6
193.08548	1.3
195.04277	0.9
197.04466	1.4
203.07016	31.5
211.06015	8.7
213.05460	13.8
213.07491	1.1
217.08578	3.8
221.07924	4.1
231.06523	16.2
235.09685	1.3
245.08076	4.3
249.07446	10.7
253.12195	1.0
263.09131	3.0
263.16360	1.0
281.10046	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	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03938	7.8
55.01868	6.1
55.05259	2.2
55.05511	33.9
57.03437	27.9
57.07065	1.9
58.90090	1.1
65.03938	2.8
67.05502	79.6
69.03426	2.3
69.07072	15.3
69.96096	2.6
69.96412	1.6
71.04983	1.7
77.03924	3.3
79.05491	100.0
81.03423	12.4
81.07054	65.0
83.04977	33.1
83.08614	9.0
85.06550	3.7
91.05476	62.8
93.07041	69.6
95.04966	30.0
95.08600	37.3
97.06542	6.7
97.10170	5.5
98.23309	1.8
103.05515	1.3
105.04514	3.9
105.07025	48.6
105.07740	2.5
107.04943	10.9
107.08585	22.3
109.06525	8.5
109.10145	7.5
111.08075	1.7
116.58492	1.4
117.07009	9.4
119.08578	27.6
121.06508	3.7
121.10130	5.2
123.08069	7.5
127.07564	2.9
128.06178	3.8
129.07008	18.8
131.08568	2.3
133.06442	1.6
133.10133	13.1
134.82208	1.1
135.11690	2.8
143.08575	10.1
145.10121	14.3
147.08012	2.5
147.11685	41.5
156.09354	1.8
161.09636	5.5
161.13266	21.1
163.11201	1.9
165.09093	1.5
171.11684	30.3
189.12735	14.8
207.13815	16.6
255.68797	1.5
258.99762	1.5
261.41870	1.3
269.90173	1.6
281.17456	66.3
282.17831	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1747
Annotation	Acrostalic acid
Peak:m/z	Relative Intensity
55.01888	0.6
55.05495	0.6
56.96495	0.4
56.99505	0.3
57.03436	21.0
57.07065	1.2
60.76738	0.4
60.86597	0.3
65.03927	0.8
67.05504	12.1
69.03431	0.7
69.07064	1.1
69.74178	1.4
71.04985	1.7
72.08147	0.8
79.05495	2.2
81.03419	1.1
81.07047	1.9
85.06544	22.7
91.05482	1.9
93.07040	1.7
95.04967	27.2
95.08596	0.8
97.06540	0.9
97.10145	0.5
98.97583	1.7
99.08059	0.4
104.99226	0.4
105.07047	1.2
107.04942	2.7
107.08572	2.1
109.06493	2.0
109.10092	0.6
113.06004	100.0
114.06350	1.0
116.98583	0.8
117.07072	0.8
119.08575	0.7
121.06544	0.5
121.10159	1.3
123.04409	0.8
125.05987	0.7
129.07005	1.2
131.08553	2.0
133.10126	0.9
135.08072	2.4
143.08543	1.1
144.69589	0.4
145.10143	1.4
147.08098	0.5
149.02338	0.6
149.09593	2.0
151.02805	0.5
157.10124	0.8
161.09674	0.8
161.13252	0.5
165.09099	1.6
171.11679	1.0
173.09639	0.8
186.80748	0.4
189.12755	1.3
191.10692	1.2
199.14835	1.0
215.94482	0.4
217.15941	0.8
227.14313	1.8
245.15355	8.2
258.99646	0.9
263.16415	6.4
277.00851	1.6
281.17404	1.1
286.02408	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate
Peak:m/z	Relative Intensity
52.16336	0.9
53.03942	1.1
53.30212	1.0
55.01866	11.3
55.05508	12.2
57.03431	2.8
57.07062	1.2
67.05155	1.9
67.05501	23.1
69.03423	1.8
69.07072	8.8
69.82974	2.2
71.04988	3.8
71.08601	1.1
72.08148	1.3
73.02899	1.0
75.47462	0.9
79.05492	31.5
81.03406	2.8
81.07056	100.0
82.07383	1.4
83.01325	2.1
83.04967	3.2
83.08596	4.9
85.02892	1.9
85.06557	2.2
87.04422	1.2
91.05469	13.8
93.07043	21.7
95.04990	7.3
95.08604	58.1
96.08943	1.8
97.02866	2.6
97.06519	4.2
97.10194	1.9
98.97573	8.4
99.08096	4.2
101.06007	0.9
103.05476	1.2
104.99264	3.7
105.04523	1.2
105.07030	18.2
107.04955	5.6
107.08578	8.0
109.02885	1.4
109.06528	5.2
109.10146	3.9
111.04440	3.0
111.08080	7.0
111.26313	0.9
111.49515	0.9
113.06026	1.1
115.05434	1.0
116.98632	5.8
117.06993	4.8
119.08575	8.2
121.06500	10.7
121.10144	3.6
123.04458	1.8
123.08065	45.9
125.06033	1.4
125.09635	1.7
125.80920	1.0
128.06197	1.2
129.06989	3.1
131.08582	5.8
133.06480	8.2
133.10143	9.1
134.99648	3.1
135.08046	7.2
135.11745	1.0
137.09599	3.6
139.07550	8.1
139.11185	1.0
141.09100	8.2
143.08582	5.1
145.10114	3.4
147.08034	4.7
147.11708	3.1
149.05954	1.8
149.09605	3.3
150.02654	1.5
151.07539	39.3
151.11150	1.9
153.09094	3.9
155.08514	1.6
157.10080	4.0
159.08150	1.3
159.11710	1.5
161.09599	7.2
163.07552	1.6
165.09126	10.8
167.10663	1.3
171.11670	1.3
173.13199	1.2
175.11139	2.2
179.10620	4.5
181.08574	4.2
181.10045	1.2
185.13341	1.5
187.09621	1.6
189.09108	4.4
189.16399	1.5
195.10141	2.0
199.14795	6.1
203.10869	1.1
207.10202	3.6
217.15857	7.9
221.15610	1.0
227.14279	2.3
235.16951	11.3
245.15347	9.2
258.91714	1.3
258.99768	4.9
263.16422	15.1
263.19257	1.3
263.20291	0.9
277.00742	5.6
281.17474	16.6
281.20709	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81426	0.2
56.96566	8.0
61.02899	0.2
69.03442	0.3
71.43842	0.3
71.95273	0.6
85.02910	0.6
85.06578	0.3
87.04474	0.3
98.97585	100.0
99.97903	0.4
102.96861	0.3
116.98624	40.9
117.98894	0.3
127.93897	0.2
134.99658	9.6
136.57172	0.2
140.00192	0.5
150.07755	4.8
153.00710	0.7
164.06981	0.3
181.97310	0.3
192.98674	0.3
196.09590	0.3
216.98700	0.8
234.99762	0.8
240.98631	4.0
258.99765	46.4
259.99887	1.8
277.00821	56.0
278.00980	2.2
282.01407	0.6
282.13354	0.4
295.01974	0.6
300.02216	0.5
301.00931	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	8.1
62.88117	0.3
69.48039	1.1
77.73967	0.3
80.12936	0.3
88.32272	0.3
92.98933	0.3
98.22691	0.6
98.97583	100.0
99.97919	0.3
114.47717	0.3
116.98624	39.7
117.98963	0.4
134.99664	8.2
140.00198	0.7
181.97392	0.5
187.71629	0.3
216.98752	1.0
219.02095	0.8
220.02058	0.6
227.00551	0.3
234.99870	0.8
236.98636	0.8
240.98651	3.6
258.99762	51.4
260.00024	1.6
261.03119	0.6
268.10880	0.3
277.00818	61.2
278.00912	1.9
282.01315	0.4
282.99969	3.9
295.01889	0.4
300.02374	0.8
301.01099	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	282.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32388	1.0
83.66276	0.2
87.04465	0.7
88.89359	0.1
89.22704	0.2
92.05004	0.2
98.22716	0.3
104.04975	0.4
118.06548	0.3
120.08093	0.9
122.06027	0.7
132.04454	1.0
134.05980	0.3
138.28346	0.2
146.06024	0.5
149.08365	0.2
164.07065	32.1
165.07452	0.7
166.08664	0.8
174.05571	0.2
176.07155	0.2
178.08603	0.5
179.08762	0.2
181.07332	0.5
190.08690	0.2
193.01253	0.2
196.09705	0.9
202.28433	0.2
208.09682	100.0
209.10295	4.3
213.06174	0.2
222.07625	0.4
222.11253	0.6
237.09445	0.2
240.12273	2.1
250.07777	0.3
250.10779	0.7
250.19464	0.2
282.10379	0.4
282.13351	4.3
283.09677	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1337
Annotation	Mortivinacin C
Peak:m/z	Relative Intensity
69.03437	0.4
70.17617	1.0
81.00945	0.3
83.43556	0.3
84.96643	0.4
87.04469	40.2
88.04825	0.4
91.05471	1.0
98.22869	0.4
98.97582	0.7
110.27708	0.3
116.98610	0.4
117.05761	0.8
118.06538	2.6
118.97999	0.3
124.77422	0.3
134.09613	1.6
136.07581	1.1
146.06006	11.6
147.06273	0.4
164.07074	6.3
178.08623	27.3
179.08978	0.4
196.09686	36.7
197.10028	1.3
222.11092	0.4
277.01019	0.5
282.13354	100.0
283.13730	3.8
299.18121	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1337
Annotation	Mortivinacin C
Peak:m/z	Relative Intensity
50.64450	0.4
55.76337	0.3
57.58091	0.3
59.04985	1.0
69.03450	0.5
69.54172	0.8
69.54561	0.7
79.05466	0.4
89.06013	0.8
91.05473	1.5
93.07024	0.3
95.04912	0.5
98.23493	0.5
98.97620	0.4
117.05757	2.7
118.06535	5.4
120.04467	0.5
121.88554	0.4
125.32310	0.3
129.79051	0.4
130.06499	0.4
133.08582	0.3
134.09637	0.5
144.08093	2.2
145.08984	0.4
146.06000	19.0
146.09586	0.6
152.07094	0.7
164.07085	4.1
172.07591	0.5
178.08618	21.2
179.08965	0.5
190.08582	2.6
192.10246	0.7
193.11012	0.7
204.10190	1.8
205.10982	1.2
208.09711	3.3
218.08119	9.8
220.06270	0.3
220.09679	0.7
222.11243	1.5
224.09184	2.0
236.09180	1.4
237.09831	1.1
250.10733	62.7
251.11057	2.5
252.08640	3.1
252.12254	1.0
258.99649	0.4
282.13339	100.0
283.13666	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	282.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01856	1.2
56.96553	1.4
57.03430	3.5
61.02926	9.9
69.03426	17.2
71.04997	2.5
71.16229	1.2
73.02924	5.4
73.06641	1.2
81.03425	7.5
85.02904	100.0
85.06537	25.0
86.03247	1.2
87.04472	2.4
91.03938	8.2
93.72631	1.0
97.02892	19.6
98.97580	16.2
99.04441	5.1
109.02869	8.5
115.03895	1.1
116.98610	4.4
123.66109	0.9
126.86579	0.9
127.03915	25.2
134.01205	0.9
134.99686	1.2
145.04955	61.0
163.06021	18.0
229.10738	6.2
258.99738	7.2
277.00809	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	283.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63018	0.3
67.05468	0.3
70.15230	0.7
77.61311	0.4
93.07018	0.4
93.85425	0.3
95.08611	0.4
107.04990	0.5
120.76324	0.4
143.66644	0.4
188.16544	0.4
233.11563	4.0
265.14111	1.2
278.88211	0.5
283.15155	100.0
284.15509	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	283.1541
Annotation	Strobilol D
Peak:m/z	Relative Intensity
55.01862	1.4
55.05518	2.8
56.96564	0.5
57.03440	1.4
57.07068	2.9
59.04995	1.7
65.03947	0.8
67.05505	9.4
69.03427	9.2
69.07066	100.0
70.07407	1.0
71.04984	2.1
71.44032	0.7
72.62972	0.5
75.13197	0.6
78.53437	0.6
79.05490	3.4
81.03425	0.8
81.07057	23.5
82.88040	0.6
83.04950	3.0
83.08626	2.1
85.02917	3.5
86.13171	0.6
87.04462	1.6
91.05480	3.2
93.07030	4.4
95.04964	4.5
95.08607	8.9
97.02890	42.5
97.06535	1.6
97.10185	0.9
98.97580	1.8
99.08128	0.8
105.07039	4.0
107.08587	6.4
109.06510	4.0
109.10167	8.3
111.04434	1.0
111.08073	1.2
113.05977	1.1
115.03919	3.3
116.98643	1.0
117.07022	1.4
119.08589	2.8
121.06560	0.9
121.10149	5.6
123.04433	1.1
123.08067	2.1
123.11707	27.9
125.05970	1.1
125.09655	1.6
131.04997	0.7
131.08569	2.6
133.04970	1.2
133.10110	2.8
135.08069	2.0
135.11703	1.8
137.05962	0.6
141.05460	0.8
142.79327	0.6
143.08560	1.2
145.06546	1.1
145.10182	1.8
147.08063	1.4
147.11713	1.8
149.09647	1.7
151.11176	52.3
153.09079	0.7
159.06563	0.7
159.08020	0.9
159.11693	0.9
161.09659	0.8
161.13432	0.6
163.07545	1.3
163.11166	1.1
165.07019	0.8
167.08580	1.1
173.13260	1.3
175.11192	1.0
177.06992	0.7
179.07143	0.8
189.12755	0.8
191.10829	0.7
193.12405	0.7
195.08138	1.0
201.12808	1.1
201.16327	0.6
216.78418	0.6
219.13736	1.4
223.07504	0.9
229.12350	1.6
235.13368	1.2
237.14856	1.6
239.07426	0.6
240.07672	1.0
247.13327	4.3
251.12585	0.8
260.00137	0.7
265.14429	5.2
265.17249	0.7
265.18024	0.6
283.09769	5.2
283.15375	15.1
283.20459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23787	0.3
53.06225	0.3
60.20712	0.3
69.46142	0.9
75.21873	0.2
79.05482	0.4
85.13326	0.3
87.04462	1.5
87.08098	0.4
91.05482	0.9
98.78886	0.3
98.97549	0.5
103.05462	0.7
106.06571	0.6
109.06469	0.3
115.05461	0.6
117.05753	0.6
117.07005	0.4
118.06528	1.5
120.08093	4.5
121.06501	0.3
130.06534	2.1
131.04965	0.4
131.07312	0.4
132.04413	0.4
134.05994	0.6
136.07654	0.4
144.08101	1.5
146.05981	3.3
148.07576	0.9
158.05995	0.9
160.07475	0.3
162.09138	0.5
163.03918	0.3
164.07036	1.2
166.08563	0.4
172.07559	5.3
176.07034	1.5
178.08609	4.7
180.06438	0.4
186.05493	0.7
190.08606	3.4
191.09427	0.4
192.06525	0.6
192.10184	2.7
196.09695	3.0
204.06616	3.4
204.10187	12.7
206.11729	1.9
216.06467	0.7
218.08121	4.6
218.10075	0.6
222.08011	1.8
222.11230	19.5
223.11617	0.7
234.07646	0.6
236.09164	25.8
237.09479	0.7
238.14494	0.3
248.09190	1.2
251.07935	0.4
252.08676	1.1
254.10225	23.0
255.10577	0.9
266.10226	5.3
266.13232	0.5
284.11270	100.0
285.11642	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	284.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58627	0.5
65.73833	0.5
70.06630	0.5
77.41831	0.8
77.45845	0.6
79.05514	0.6
80.05013	0.6
80.18549	0.5
81.03423	0.5
82.06586	1.2
84.04514	0.6
86.06054	0.5
91.05466	3.3
94.06589	0.8
98.35709	0.5
105.07050	0.8
116.04960	1.3
117.05739	2.7
118.06547	11.6
118.07303	0.5
120.04479	1.7
120.08112	1.6
128.07071	0.9
130.05072	0.8
133.03284	0.6
134.06033	0.6
134.09685	2.1
136.07568	2.3
136.11069	0.5
138.05510	0.9
138.09175	0.7
144.04465	5.4
146.06012	38.1
146.34888	0.5
148.07524	0.6
150.09123	0.6
152.07153	0.6
152.10768	0.7
160.07607	3.7
161.08337	0.5
162.05524	4.1
162.09184	1.9
164.07071	6.2
166.08589	1.0
167.07166	0.6
167.09424	0.6
172.03867	2.6
176.07088	2.7
176.46939	0.6
178.08635	51.3
179.08972	1.5
180.10254	0.6
181.07307	0.6
182.08156	3.2
188.07048	6.3
188.08452	0.6
190.04988	2.5
190.08643	6.0
192.10295	0.7
196.09691	10.5
200.15196	0.6
204.06528	1.4
206.08121	9.2
208.09700	5.3
210.07710	0.6
210.11299	2.0
216.06590	4.2
219.24144	0.6
220.09702	15.8
222.11255	59.2
223.11565	1.8
224.09145	0.7
225.09923	0.8
234.07629	4.0
240.12312	44.8
241.12680	1.5
248.09186	8.0
252.12257	3.9
253.08603	0.6
259.26038	0.6
266.10248	34.8
267.10648	1.5
284.11325	100.0
284.14819	9.8
285.11533	4.4
293.15524	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.1
55.01866	4.0
55.05517	1.4
57.03420	1.3
65.03934	1.9
67.05505	11.1
69.03418	4.9
71.01358	1.5
71.04977	3.8
77.03927	4.6
79.05499	12.0
81.03408	13.1
81.07056	6.9
83.01344	2.0
83.04979	2.0
83.08641	1.5
85.02892	1.7
85.06528	3.1
87.04462	4.5
91.05485	23.4
93.07045	8.2
95.04969	65.8
95.08625	6.1
96.05298	1.5
97.02895	4.9
97.06521	1.7
99.00766	1.6
99.04469	2.4
100.11235	3.8
103.05461	5.1
105.03371	7.9
105.04514	5.2
105.07024	29.9
107.04955	14.3
107.08581	3.7
109.02898	2.0
109.06515	6.0
109.10167	1.4
115.03958	2.8
115.05465	4.0
117.06981	7.3
117.07830	1.0
119.04971	2.9
119.08599	13.4
121.06503	5.9
123.04424	34.1
123.08082	4.5
125.02347	25.2
125.06035	2.3
127.03906	2.9
128.06192	6.9
129.07008	19.0
131.04948	6.3
131.08580	6.3
132.05693	2.8
133.02847	19.4
133.06499	20.0
133.50471	1.3
135.04414	8.4
135.08057	1.6
137.06009	2.1
137.09583	1.5
141.05478	1.9
141.06935	1.9
145.06487	6.1
147.04469	1.3
147.08047	33.3
149.05971	10.9
150.05487	3.0
151.03906	100.0
151.07500	6.3
153.05461	35.5
155.06009	2.1
157.06500	13.7
159.04410	15.4
159.08061	3.7
161.02339	9.2
161.05962	10.3
165.05609	1.2
169.04965	18.7
170.62988	1.5
173.06047	1.8
175.07552	27.3
176.07870	1.6
177.05528	9.6
177.09193	1.5
179.03401	3.9
179.07066	4.4
179.79134	1.3
185.06012	12.0
187.07568	1.6
193.08591	6.6
197.04482	14.1
203.07039	27.4
210.06779	1.3
210.11343	1.4
213.05621	2.5
215.05444	3.3
221.06242	1.3
221.08076	36.8
225.09111	3.7
231.06523	6.5
239.09126	32.5
240.09465	1.9
249.07571	18.6
253.08585	1.8
267.08609	22.4
267.11267	1.7
285.09406	7.8
285.17102	1.7
285.24078	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	285.097
Annotation	globosumone C
Peak:m/z	Relative Intensity
51.02382	1.5
53.03953	3.7
53.97819	1.1
55.01862	6.9
55.05511	2.2
57.03434	1.9
60.00142	1.0
64.77713	1.2
65.03918	1.3
67.05505	12.1
69.03439	6.8
69.33590	4.0
71.01364	2.5
71.04997	3.6
73.02940	2.7
75.64711	1.4
77.03938	4.0
79.05492	20.2
81.03418	13.2
81.07061	8.0
83.01352	2.5
85.02876	2.0
85.06541	2.0
87.04476	5.9
91.05477	28.5
93.07053	4.1
95.04967	73.6
95.08626	6.0
96.37653	1.1
97.02888	5.9
99.04453	3.8
100.38514	1.0
103.05473	6.5
105.03397	6.1
105.04530	3.0
105.07034	34.7
107.04942	18.2
107.08614	3.4
109.02899	1.7
109.06532	8.9
111.04527	1.1
113.85064	1.1
115.03939	2.1
115.05471	5.6
117.07010	8.9
119.04958	3.3
119.08584	15.8
121.06503	11.0
123.04431	36.9
123.08077	4.1
125.02348	21.9
125.06036	2.2
127.03935	3.0
128.06227	6.9
129.07001	25.0
129.33257	1.1
131.04941	8.3
131.08580	9.1
133.02847	18.1
133.06493	29.7
135.04419	10.3
135.08090	2.2
137.05934	1.5
141.05428	1.5
141.07028	2.0
145.06473	7.4
147.04404	2.8
147.08047	42.5
149.05962	11.6
151.03900	100.0
151.07474	7.4
151.38184	1.1
152.04269	2.3
153.05461	18.9
155.06038	1.5
157.06480	17.8
157.07652	1.9
159.04416	16.2
159.08009	2.7
160.05022	1.6
161.02332	9.4
161.05980	12.1
165.05547	2.3
165.09102	2.6
169.04950	14.4
169.06242	1.5
173.06007	2.4
175.03952	1.1
175.07547	29.1
177.05472	11.6
177.09077	2.5
179.03404	4.4
179.07047	6.3
185.05989	12.6
185.90131	1.3
186.29994	1.1
187.07507	2.5
191.07133	1.4
193.08614	8.1
195.06548	2.6
197.04442	11.5
197.08104	3.5
203.07028	31.6
205.08525	2.1
213.05432	5.6
215.05380	2.0
221.08089	29.1
231.06654	6.5
239.09142	22.6
249.07582	24.4
253.12708	4.9
267.08630	28.6
285.09488	11.7
285.15405	5.1
285.24295	1.4
285.74597	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.097
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	0.7
69.07102	0.5
69.67361	1.6
79.05490	2.1
89.03904	7.0
91.05478	0.7
95.04956	1.8
98.23502	0.5
103.05431	0.4
105.07014	1.4
107.04973	3.2
117.03371	9.0
121.06467	0.4
123.04454	1.0
131.04904	0.5
133.02811	0.6
133.06482	0.9
135.04414	17.9
145.02844	12.5
147.08031	0.8
149.05925	0.6
151.03891	2.2
153.05515	0.5
157.06514	0.6
161.06010	2.2
163.03899	100.0
164.04282	2.7
165.07011	1.4
173.05923	0.4
175.07547	0.6
185.05956	0.4
193.06482	1.6
203.06934	0.5
210.06783	0.9
219.97343	0.4
221.06000	2.0
221.08003	0.5
225.09132	3.2
238.06313	0.5
249.07561	0.5
253.08615	9.7
254.09192	0.5
285.11298	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	285.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	3.8
57.03431	7.2
68.71559	1.7
71.43542	1.8
79.05489	5.9
81.03437	3.2
87.35928	1.5
91.05478	19.4
93.03456	1.5
93.07061	3.1
93.41007	1.5
95.04962	4.8
100.11252	3.2
103.05466	5.6
105.03387	3.3
105.07023	21.0
106.04189	3.9
107.04954	8.2
109.06522	5.0
111.29652	1.8
115.05456	2.2
119.04951	25.3
119.08564	2.0
121.06499	11.6
122.07301	1.9
123.04378	1.8
125.05993	2.9
133.06482	16.4
134.03648	4.8
135.04422	7.7
135.08061	1.8
136.05190	4.9
137.05994	4.1
140.04694	13.1
147.04405	5.5
147.06337	3.1
147.08099	1.9
149.05984	18.4
151.07538	17.5
153.05469	100.0
154.06216	1.6
161.05981	43.6
163.07625	1.8
165.07089	3.4
167.07039	17.4
168.07823	81.4
177.05489	3.7
179.07077	10.6
179.09003	5.9
179.41261	1.5
181.08589	3.8
182.09424	1.6
193.06772	2.9
193.08598	41.9
193.12198	1.7
196.07310	77.3
197.09982	2.0
209.08098	6.8
211.09656	76.6
221.05978	3.0
221.10027	3.0
223.11562	7.1
225.09096	5.3
238.40268	1.7
241.12665	6.2
249.09595	1.8
250.86063	1.5
253.08458	9.7
267.10565	5.8
285.11404	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	285.1695
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03933	2.8
55.01859	3.9
55.05266	1.8
55.05509	27.3
55.30952	1.1
57.03434	49.0
59.04998	1.1
65.03925	3.5
67.05502	39.3
69.03430	6.8
69.07067	10.8
70.47417	2.4
71.04985	11.4
77.03929	1.3
79.05487	42.5
81.03413	96.4
81.07050	49.0
83.04527	1.9
83.04979	19.2
83.08130	1.5
83.08620	37.9
85.02898	82.5
85.06511	3.2
91.05475	49.4
93.07040	28.8
95.04960	42.2
95.08599	19.6
97.02878	5.0
97.06523	5.8
97.10140	5.2
99.08072	2.7
105.07023	41.0
107.04330	1.2
107.04951	10.3
107.08588	11.6
108.56546	1.1
109.06527	9.1
109.10164	6.7
111.04401	4.8
111.08070	20.9
113.06002	6.1
115.05412	3.0
117.06989	3.1
119.04915	1.6
119.08574	30.8
121.06495	2.2
121.10131	17.5
123.08034	5.4
123.11673	4.0
129.07001	16.1
131.08568	15.9
133.06439	2.0
133.10124	15.2
137.09561	3.2
142.07750	4.6
145.10088	5.0
147.08014	4.4
147.11659	28.2
149.09621	9.6
157.08858	1.9
157.10112	24.8
159.11613	1.6
161.05917	2.5
163.11241	2.4
165.06967	2.0
165.12746	7.9
171.11676	2.2
173.13226	2.4
175.11171	29.9
187.14761	2.8
188.15590	1.2
193.12221	93.6
194.12515	2.5
196.77460	1.1
203.78714	1.2
210.06670	1.2
211.13268	58.2
212.13576	1.6
220.20474	1.1
221.05920	2.6
225.08958	4.2
239.17740	2.4
253.08655	7.2
258.05170	4.9
267.15775	11.6
285.11182	5.3
285.16891	100.0
286.04736	6.5
286.17285	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	285.1697
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
51.52734	3.8
54.73773	4.0
55.01848	4.7
55.05513	18.3
57.03439	20.4
57.07074	4.9
61.02913	13.0
67.05515	31.9
69.03423	33.2
69.07058	13.5
69.26409	19.8
71.04974	14.1
73.02903	6.4
79.05481	31.5
81.03434	25.3
81.07056	100.0
83.04967	22.5
83.08596	5.7
85.02912	25.2
85.06525	5.2
87.04453	18.0
91.03948	6.6
91.05480	35.8
93.07043	84.7
95.04963	31.0
95.08595	39.2
97.02885	28.3
97.06522	11.1
99.04453	17.5
105.04486	5.0
105.07021	62.8
107.04893	6.1
107.08591	63.8
109.06526	33.2
109.10162	22.8
111.04440	15.3
111.08088	12.0
115.03931	12.9
117.06972	21.2
119.08578	62.1
121.06491	10.7
121.10113	32.2
123.08054	13.2
123.11694	9.2
125.05933	5.2
127.07549	7.4
128.06180	4.2
129.06993	15.2
131.08554	22.8
132.96327	3.7
133.04958	13.9
133.06462	6.4
133.10120	35.2
135.08043	12.1
135.11694	43.7
137.05981	9.4
137.09682	6.1
139.07535	11.4
142.07762	3.9
143.08571	29.0
145.10109	30.6
147.08060	4.7
147.11656	29.4
149.09575	4.9
149.13272	6.7
151.11159	14.9
153.12720	6.5
155.07056	4.8
155.43906	4.1
157.08865	4.5
157.10147	18.9
159.08052	8.2
159.11710	25.2
161.09630	8.9
161.13263	5.2
163.11176	10.9
165.06963	8.1
165.12746	17.3
167.07045	4.5
169.09958	4.7
171.08105	4.8
171.11707	9.5
173.08110	8.4
173.09590	10.9
173.13229	10.5
175.11116	22.8
177.12733	24.1
179.24643	3.7
183.11697	6.3
185.09547	4.7
185.13222	14.8
187.11206	4.4
189.12805	7.4
191.10570	9.7
191.14217	3.7
193.06505	4.8
193.12233	16.0
195.11665	5.7
195.13774	11.7
201.12733	11.1
203.14297	6.6
210.06784	6.2
213.12721	15.0
219.13756	26.5
221.05907	4.7
225.09108	14.7
231.13817	35.3
237.14825	10.3
249.14871	41.6
253.08537	20.3
267.15927	39.2
285.11240	17.0
285.14731	4.1
285.17001	46.1
285.22070	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	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03938	3.2
55.01868	3.1
55.05294	0.9
55.05508	8.9
57.03432	12.4
63.06050	0.8
65.48129	0.6
67.05502	15.2
69.01469	0.7
69.03422	2.6
69.07068	2.7
69.21739	4.5
71.04975	3.6
79.05489	14.2
81.03411	100.0
81.07050	13.5
81.15076	0.7
82.03751	1.5
82.14847	0.7
83.04972	7.4
83.08615	22.1
85.02901	14.2
85.06561	0.9
91.05474	17.6
92.05871	0.8
93.07030	7.6
95.04961	26.5
95.08601	4.2
97.02884	2.9
97.06526	1.4
97.10173	1.4
105.07026	14.1
105.07716	0.7
106.07280	1.0
107.04943	7.2
107.08562	4.3
109.06513	3.5
109.10155	2.0
109.87173	0.7
111.00777	0.9
111.04434	2.3
111.08076	11.1
113.06020	1.1
115.05480	1.6
117.07023	0.7
119.08574	10.4
119.09335	1.2
121.06512	2.0
121.10138	6.0
123.08049	0.8
123.11663	0.8
128.06219	1.1
129.06999	7.9
131.08585	6.4
133.06496	3.0
133.10109	5.1
137.09613	1.0
142.07756	1.5
145.10085	1.6
147.08063	3.0
147.11688	10.1
149.09654	4.3
157.10115	10.3
161.05908	1.3
163.11140	0.9
165.07022	2.2
165.12770	2.7
175.11151	13.9
185.13058	0.8
193.12225	58.5
194.12480	1.0
199.14775	1.0
210.06837	0.9
211.13255	17.5
225.09137	1.6
253.08615	3.5
267.15887	13.3
285.07703	1.7
285.11334	2.1
285.16956	15.9
285.21912	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03940	7.6
55.01881	10.5
55.05517	13.1
57.03435	39.6
59.05018	6.4
59.09121	5.6
61.02926	17.3
67.05516	34.9
69.03432	49.8
69.07069	15.2
69.19871	35.4
69.20234	13.3
70.54362	5.6
71.04993	15.0
75.92896	6.0
79.05502	39.9
81.03413	81.9
81.07052	96.1
83.04979	22.6
83.08618	17.8
85.02907	100.0
85.06572	6.9
87.04457	24.2
91.05470	38.2
93.07040	94.5
95.04974	46.6
95.08601	44.4
97.02895	49.6
97.06541	12.4
98.23438	10.5
99.04461	6.5
105.07034	70.9
107.04947	11.0
107.08605	61.7
109.02885	7.1
109.06527	35.0
109.10151	24.2
111.04448	21.0
111.08103	15.8
115.03931	21.7
116.47558	6.2
117.07014	19.9
119.08591	59.1
121.06544	16.5
121.10146	39.9
123.08064	12.4
127.03925	16.0
129.06990	17.5
131.08557	29.8
133.04977	9.9
133.10129	33.3
135.08012	8.7
135.11728	41.5
137.09442	6.5
141.13959	6.4
143.08606	28.4
145.04945	10.8
145.10135	26.0
147.08092	13.7
147.11592	28.5
149.09634	7.3
149.13284	8.8
151.11159	10.0
153.12762	9.9
157.10178	24.4
159.07922	8.9
159.11760	12.2
161.05930	12.0
161.09621	9.9
163.11186	15.9
165.06984	15.2
165.12755	15.5
171.11835	6.4
173.09642	14.5
173.13264	8.2
175.11194	29.5
177.12744	24.5
183.11632	7.7
185.13298	10.6
191.10762	9.8
193.06496	8.6
193.12254	53.7
195.13704	9.6
201.12729	12.7
203.14316	22.4
211.13281	19.2
213.12694	9.7
219.13799	27.9
221.06006	22.2
223.11617	8.4
225.09113	21.9
228.55957	6.3
231.13785	44.3
237.14957	7.1
249.14879	51.0
253.08617	30.2
265.23969	5.9
267.10437	13.6
267.15930	58.4
271.07434	6.4
285.11655	36.3
285.17130	74.7
294.53671	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	287.0543
Annotation	Luteolin
Peak:m/z	Relative Intensity
57.03406	0.0
64.88248	0.0
67.01863	1.7
68.99439	0.1
68.99783	1.3
69.03416	0.1
71.17623	0.1
77.03906	0.0
79.01849	0.0
79.05500	0.3
81.03406	0.1
81.03848	0.0
83.01367	0.0
85.02893	0.1
87.82008	0.0
89.03909	0.6
94.57892	0.0
95.04967	0.1
97.02901	0.1
97.23136	0.0
103.05444	0.0
105.03410	0.1
107.01322	0.0
107.04945	0.4
109.02872	0.1
111.00797	0.3
111.04434	0.2
112.43069	0.0
115.05449	0.1
117.03367	0.8
117.06965	0.0
119.72697	0.0
125.02390	0.1
127.03927	0.1
129.01849	0.3
129.06982	0.1
131.04904	0.1
133.02835	0.0
135.04408	5.1
136.04735	0.0
137.01303	0.1
137.02338	1.3
138.09140	0.1
139.05428	0.1
143.01297	0.0
143.04846	0.1
145.06516	0.0
147.04384	0.1
149.02327	0.1
151.03882	0.1
153.01816	12.3
154.02179	0.1
154.31342	0.0
155.04979	0.0
157.06480	0.1
161.02324	1.4
161.05930	0.1
167.04970	0.1
171.02887	0.7
171.04433	0.2
173.05904	0.0
175.03989	0.0
179.03395	0.6
183.04449	0.0
185.05945	0.4
189.05464	0.1
195.04375	0.0
195.06464	0.1
199.03931	0.2
201.05429	0.1
203.03380	0.3
210.73903	0.0
213.05455	0.5
217.04956	0.1
218.05783	0.1
219.06453	0.2
223.03897	0.1
227.03354	0.0
231.06459	0.2
241.04927	1.4
242.05553	0.1
245.04347	0.2
258.05316	0.1
259.06091	0.2
263.05597	0.1
269.04398	1.0
270.04889	0.1
286.04535	0.0
287.05472	100.0
288.05798	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.69156	0.1
61.57537	0.1
61.84305	0.1
67.01862	1.3
68.99429	0.1
68.99784	1.2
70.44862	0.1
79.05480	0.2
81.03425	0.1
86.89806	0.1
89.03922	0.5
96.29143	0.1
102.34447	0.1
107.04982	0.4
107.64372	0.1
111.00802	0.1
111.04440	0.1
111.83157	0.1
115.05473	0.1
117.03379	0.6
125.02393	0.1
127.03875	0.1
129.01811	0.2
129.07054	0.1
131.60579	0.1
135.04413	3.9
137.02351	1.2
137.03374	0.1
139.05466	0.1
153.01822	10.6
154.02199	0.1
157.06499	0.2
161.02341	1.1
162.21512	0.1
171.02908	0.6
171.04248	0.1
179.03360	0.5
185.05995	0.2
189.05461	0.1
199.03935	0.1
203.03419	0.2
209.68402	0.1
213.05453	0.4
217.04974	0.1
219.06549	0.2
231.06509	0.1
235.67842	0.1
241.04947	1.3
245.04462	0.2
259.06055	0.2
263.05490	0.2
269.04407	0.9
286.04639	0.2
287.05478	100.0
288.05829	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	0.5
65.16623	0.3
69.56595	0.4
70.30117	0.9
98.97564	0.4
123.80338	0.4
150.05757	0.3
150.14087	0.4
172.94324	0.4
205.94550	0.3
232.96437	0.4
243.63622	0.3
248.03178	0.3
264.03082	0.4
287.10992	100.0
288.11292	2.8
307.87469	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41266	0.4
55.85810	0.4
62.66988	0.5
63.72936	0.4
69.89512	0.8
69.89896	0.9
73.79654	0.4
101.00858	0.6
119.01894	0.5
125.86693	0.5
143.01903	2.1
161.02957	2.1
227.80859	0.4
264.03131	1.1
283.54099	0.5
287.11002	100.0
288.11374	4.0
296.46661	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.2
54.76588	0.1
55.01868	0.4
55.05510	1.7
57.03436	0.8
57.07045	0.3
59.05010	0.2
61.02915	0.6
65.03916	0.2
67.01865	1.8
67.05510	1.1
68.99796	1.0
69.03423	2.0
69.07072	2.1
70.02569	0.1
71.04980	0.3
73.02910	0.2
75.04495	0.2
79.05494	1.4
81.03415	1.1
81.03847	0.2
81.07056	5.5
83.04979	1.1
83.08624	1.1
85.02898	0.9
85.06538	1.6
87.04470	0.6
89.03917	0.5
91.03958	0.4
91.05489	1.0
93.07045	2.2
95.04958	1.5
95.08603	2.4
97.02886	1.0
97.06520	1.0
97.10173	0.2
99.04467	0.3
99.08094	6.1
103.05499	0.2
104.60412	0.1
105.07034	1.9
107.04942	0.5
107.08594	1.6
109.02853	0.4
109.06525	1.1
109.10141	0.8
111.00893	0.2
111.04466	1.7
111.08086	0.6
111.11705	0.7
113.06004	0.2
113.09634	0.3
115.03901	0.5
117.03354	0.5
117.07008	0.5
119.08569	1.1
121.06496	0.5
121.10166	0.9
121.10936	0.2
123.08066	0.5
123.11702	0.7
125.02288	0.2
125.05984	0.3
125.09650	0.2
127.03928	0.3
127.07528	0.2
129.01823	0.4
129.05455	0.2
129.06987	0.2
131.08527	0.6
133.04951	0.4
133.10129	0.5
135.04416	4.8
135.08038	0.4
135.11684	1.0
137.02353	1.2
137.05997	0.5
137.09610	0.2
137.13263	0.5
139.05382	0.2
139.07524	0.6
139.11195	0.2
141.09084	0.2
141.12756	0.2
143.08531	0.2
145.06500	0.2
145.10141	0.7
147.08002	0.3
147.11659	0.8
149.09555	0.2
149.13261	0.9
151.07553	0.2
153.01825	11.8
153.09128	0.3
153.12697	0.8
154.02223	0.3
157.06430	0.2
157.10074	0.2
159.11674	0.5
161.02315	1.4
161.13301	1.1
163.07565	0.2
165.07491	0.1
165.09029	0.1
165.12733	0.6
167.07027	0.2
171.02888	0.8
171.04294	0.2
171.11710	0.2
173.08081	0.5
173.09488	0.2
173.13275	0.2
175.11168	0.2
175.14897	0.2
177.09132	0.2
177.12740	0.4
179.03407	0.6
179.14359	0.8
181.04984	0.6
185.06023	0.3
185.13284	0.2
187.14815	0.5
189.12862	0.2
195.06534	0.5
195.13881	0.2
197.13220	0.3
197.15448	0.2
199.03978	0.2
203.03404	0.3
203.14284	0.5
213.05443	0.5
215.14246	0.9
219.06543	0.2
221.15424	0.7
231.06587	0.2
233.15366	1.6
239.16382	0.3
241.04956	1.0
245.04414	0.2
251.16415	2.0
259.06049	0.3
263.05719	0.2
269.04492	0.8
269.17465	1.5
287.05487	100.0
287.18250	1.8
288.05820	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	289.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07225	0.5
53.03944	1.3
53.85730	0.5
55.01872	0.7
56.96562	2.1
57.03424	1.1
58.99864	1.5
60.05648	0.6
66.23476	0.5
66.46769	0.5
69.03422	3.1
70.06584	3.1
70.99844	2.0
71.04993	1.6
73.01400	0.7
81.03412	4.0
82.99824	5.8
84.00053	0.5
85.02910	3.3
85.68029	0.7
86.09737	2.5
87.04476	0.7
89.00887	0.8
91.02473	0.6
91.05495	0.7
97.01393	4.0
97.02869	3.3
98.97551	3.0
99.04459	4.0
101.00880	54.6
102.00992	1.5
103.02425	0.9
105.00341	0.6
109.02889	5.0
109.07648	2.8
113.00872	3.8
115.02435	21.7
116.07097	0.8
116.98600	1.0
117.03993	2.5
118.03570	0.6
119.01921	100.0
120.02010	3.2
122.00482	0.5
123.04459	1.1
126.98790	1.3
127.03921	21.1
127.04850	0.8
127.08689	6.3
129.03975	8.4
131.01910	12.2
131.02885	0.7
133.03468	28.6
134.03514	0.7
135.05054	1.8
137.02960	15.3
138.03085	0.6
142.03517	0.7
143.01895	17.8
143.02968	1.2
144.01981	0.6
144.99829	4.9
145.03453	2.3
145.04910	0.7
147.01401	1.2
147.05045	8.1
149.02965	2.4
151.04559	2.8
155.01933	0.5
157.03447	2.7
159.01425	1.2
161.02960	42.8
162.03082	1.8
163.04544	0.6
168.99817	13.8
171.01387	7.3
172.99426	0.9
173.02963	8.8
175.00883	2.9
175.04483	1.1
175.11966	1.3
177.02481	1.6
179.03955	1.7
185.02965	1.7
187.00885	29.4
187.04510	1.7
188.01045	1.1
189.02434	11.3
191.04008	8.3
196.62837	0.6
196.99298	6.4
199.00873	10.3
199.04497	0.7
200.01085	0.7
201.02461	4.3
203.00403	1.3
203.03986	1.3
205.00237	0.4
205.01941	10.9
207.03499	3.1
215.00368	36.9
216.00635	1.2
217.01938	20.7
218.02078	0.7
219.01724	0.8
219.03537	7.0
229.01920	10.6
230.02206	0.6
231.03499	1.7
233.01453	4.6
235.03047	1.0
237.02509	0.6
245.01370	0.9
247.02994	37.4
248.03215	1.5
259.03177	0.9
265.04041	9.5
270.04681	0.7
275.02490	0.9
277.04019	2.6
288.20428	3.3
289.04074	8.8
289.08664	4.4
289.14392	1.3
289.20822	0.7
307.05249	5.7
307.08667	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87032	2.8
56.96567	12.6
70.50329	3.1
71.43082	3.5
72.41125	3.0
81.03416	5.5
82.99839	6.5
85.02887	4.8
86.09736	4.1
90.71879	3.0
97.01422	3.5
97.02899	4.1
98.97582	52.9
99.04425	3.6
101.00885	64.7
102.00931	3.6
109.02867	5.3
109.07556	2.8
110.97605	3.5
113.00899	9.0
115.02451	25.1
116.98621	20.8
119.01926	100.0
120.02061	2.9
127.03916	28.2
127.08705	4.7
129.04034	3.9
131.01918	10.2
133.03464	25.0
134.99619	2.9
135.05017	3.5
137.02950	11.0
140.10266	3.0
143.01884	18.5
144.99780	3.3
145.03508	6.3
146.17068	3.1
147.01408	4.9
147.05078	8.4
151.17223	2.7
161.02975	48.7
168.99846	8.8
171.01433	10.6
172.94400	8.7
173.02992	10.6
175.00945	4.4
187.00899	34.3
187.04732	3.0
189.02438	10.2
190.95435	7.9
191.04077	7.7
196.99358	10.1
199.00896	9.5
201.02396	5.3
205.00212	3.1
205.01959	9.0
206.07169	3.4
215.00362	28.8
216.96889	3.6
217.01924	21.5
219.03572	11.9
229.01923	11.5
230.07063	7.9
231.03703	4.0
232.96553	3.7
233.01556	4.7
234.99876	5.7
246.98137	4.6
247.03024	41.4
248.08060	13.9
250.67035	3.4
261.03009	3.4
265.04044	5.9
274.97565	10.2
276.55124	3.0
289.04010	13.4
289.06879	55.1
292.98630	3.6
307.05127	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	289.0918
Annotation	Dianthoside
Peak:m/z	Relative Intensity
50.36712	0.4
51.11974	0.3
53.03947	7.8
55.01872	2.0
55.05519	0.5
56.80673	0.3
56.96553	0.5
57.03445	3.0
61.02914	1.2
61.23193	0.3
67.05491	0.6
68.02657	0.4
69.03431	7.2
69.41837	0.3
70.99849	0.5
71.01345	2.4
71.04629	0.6
71.04997	7.3
73.02927	1.0
78.22576	0.3
79.05486	0.8
81.03419	18.5
81.04495	0.7
82.99844	1.3
83.04972	1.2
85.02906	8.9
91.05464	0.8
95.01340	0.7
95.04976	1.3
97.01398	0.9
97.02897	7.9
98.03680	0.3
98.97590	0.9
99.04458	16.7
101.00880	11.7
101.02335	0.4
103.03960	1.4
106.48341	0.3
107.04964	0.9
109.02878	23.8
111.04462	1.6
113.00855	1.2
113.02359	0.4
115.02443	5.7
117.04005	0.6
117.05501	0.8
119.01921	23.7
119.04959	0.7
120.02007	1.3
121.02917	0.3
123.03639	0.4
123.04424	1.7
125.02345	0.8
125.05986	0.4
126.98818	0.7
127.03916	100.0
128.04265	1.7
129.04015	2.2
131.01917	2.6
133.03467	6.8
135.04321	0.5
137.03023	3.0
137.05977	0.4
139.03860	0.4
143.01897	4.0
144.10220	1.0
144.99838	1.3
145.03491	1.1
145.04948	1.7
146.09268	0.3
147.05070	2.6
149.05946	0.4
151.03909	1.4
155.01877	0.4
157.03523	0.5
161.02966	9.5
161.04221	0.3
162.03113	0.4
163.03914	0.8
164.45624	0.3
165.05447	0.5
168.99817	3.4
169.04936	1.2
171.01320	1.8
172.99356	0.4
173.02977	2.3
175.00954	0.8
175.04179	0.5
177.01012	0.4
177.05505	0.4
181.04924	0.6
185.03040	0.7
187.00888	8.9
188.01225	0.4
189.02429	2.9
191.03978	1.9
193.05029	0.9
196.99281	2.7
199.00900	1.9
199.06004	1.0
201.02437	1.7
204.04488	0.3
205.01926	2.7
205.04892	0.3
207.03511	0.4
210.02417	0.4
211.05991	0.6
214.98308	0.5
215.00375	10.4
215.02376	0.6
216.00551	0.7
217.01944	3.3
219.03540	1.4
221.05170	0.5
223.06024	1.1
229.01944	2.8
233.01451	1.1
247.02998	10.9
248.03262	0.5
251.02545	0.5
253.07094	1.8
265.04160	1.9
271.08212	0.5
289.04166	1.5
289.06805	0.8
289.09375	0.7
307.05093	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
56.96544	0.6
66.06595	0.4
69.03393	0.9
69.85953	0.9
69.86316	0.8
71.04980	0.5
72.08142	0.7
76.66563	0.4
79.05475	0.4
81.03406	1.8
85.02880	1.5
90.88971	0.4
97.02892	1.1
98.97605	1.1
99.04446	1.5
107.04939	0.5
109.02880	2.1
116.98634	0.5
119.01869	0.5
127.03916	12.3
127.04858	0.6
129.20709	0.4
136.06219	0.4
141.40727	0.4
148.32642	0.4
163.03972	0.5
172.94394	0.6
175.62791	0.5
190.95422	0.6
210.07481	0.5
246.98322	0.4
289.12558	100.0
290.12848	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	289.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16124	1.6
55.01868	5.2
55.05503	7.0
57.56759	1.8
58.94282	1.7
67.05506	14.7
69.03423	1.5
69.07070	16.2
69.51752	1.7
70.21262	1.5
70.21587	3.1
71.04995	7.7
77.03893	2.7
79.05486	17.1
81.07050	43.3
83.04616	1.8
83.04988	19.3
83.08591	6.5
85.06538	8.9
91.05481	10.9
93.07043	53.8
95.04966	15.4
95.08018	3.0
95.08600	41.7
95.09212	2.7
97.06526	29.0
99.04460	22.6
105.07030	35.8
107.04943	3.6
107.08588	28.2
109.06514	33.7
109.10160	6.2
111.08067	26.7
113.05988	5.3
117.07051	2.6
119.08583	19.0
119.40426	1.5
121.06504	89.6
121.10131	6.2
123.04427	4.8
123.08054	6.6
123.11700	12.0
125.05984	14.4
127.07545	8.8
128.06282	2.0
129.07002	3.1
131.08572	4.5
133.06451	3.7
133.10138	19.4
135.04398	5.1
135.08032	13.3
137.05975	4.6
139.07530	23.5
141.05489	1.9
142.07799	3.4
143.07043	11.6
143.08539	7.3
145.10109	7.1
147.08018	4.9
147.11682	45.7
149.13223	2.6
151.07541	2.7
151.11134	7.6
153.01810	6.7
156.09395	3.4
157.08591	12.6
157.09973	14.1
158.10544	1.8
159.06546	12.9
159.07732	2.3
161.09593	2.4
161.13243	9.0
163.03897	3.3
165.12758	16.8
169.12222	20.5
171.11699	15.6
173.09581	1.7
175.11186	31.1
176.11578	2.2
180.96948	1.6
181.10066	4.8
189.12746	23.6
191.10793	2.0
193.12234	31.4
194.12585	1.7
199.11191	28.6
207.13788	18.3
211.13286	34.7
217.12227	98.5
218.12558	2.9
225.14883	1.6
229.14281	15.0
235.13278	100.0
236.13667	4.3
253.14334	54.8
254.14787	2.1
271.15353	5.1
277.93622	1.8
289.06024	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	289.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01856	5.8
55.05508	8.6
61.02913	2.9
67.05499	14.4
69.03429	6.4
69.07063	15.9
69.43874	3.7
69.44275	6.6
71.04990	11.2
73.79689	1.9
79.05493	18.0
81.07056	44.4
83.04978	18.8
83.08626	6.5
85.06538	7.3
91.05469	13.9
93.07043	53.6
95.04974	18.7
95.08606	44.0
97.06525	26.8
98.23480	3.1
99.04465	26.3
105.07029	40.8
107.04970	2.9
107.08583	28.1
109.06521	35.1
109.10169	7.0
111.04475	2.9
111.08075	20.8
113.05997	5.6
117.06997	3.3
119.08587	21.9
121.06504	77.5
121.10138	6.5
123.04422	4.1
123.08061	8.5
123.11718	11.8
125.05981	17.6
127.07582	9.5
129.06972	3.9
131.08546	5.9
133.06526	4.7
133.10107	20.6
135.04411	6.4
135.08023	12.0
137.05911	4.2
139.07539	21.8
141.05415	2.2
142.07799	3.4
143.07033	7.8
143.08569	6.8
144.39951	2.5
145.10117	6.5
147.08051	5.5
147.11676	53.6
149.09593	2.0
149.13268	4.9
151.07558	1.9
151.11200	6.0
153.01842	11.2
156.09360	2.3
157.08620	11.1
157.10132	16.9
159.06523	15.9
160.23788	2.0
161.13243	12.8
163.03912	5.4
163.14909	2.3
165.11559	2.9
165.12715	15.6
169.12218	20.2
171.08116	2.3
171.11678	14.6
173.08134	2.7
173.09602	2.5
175.11185	34.5
178.06932	2.3
181.10091	5.5
189.12723	25.9
192.48462	1.9
193.12242	36.2
199.11198	26.1
207.13838	20.1
211.13284	32.8
217.12242	99.0
225.14912	2.2
229.14342	17.1
235.13280	100.0
236.13554	5.1
253.14336	56.3
289.07193	11.6
291.92093	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	289.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.8
55.01863	8.2
55.05503	13.1
57.07061	4.2
63.79184	3.0
67.05507	27.6
69.03437	6.4
69.07066	35.9
71.04993	20.4
71.44475	3.6
73.06538	4.0
79.05482	30.2
81.03410	5.5
81.07054	76.1
83.04982	18.9
83.08619	14.3
85.02927	2.9
85.06541	10.9
89.03864	3.4
91.05468	22.3
92.05807	3.6
93.06448	5.3
93.07037	77.5
95.04965	27.5
95.08605	75.8
97.06538	33.4
99.04446	23.6
101.06072	4.8
105.07024	49.5
107.04945	12.5
107.08599	48.7
109.06526	31.7
109.10155	17.5
111.08103	28.5
113.06007	4.7
117.03367	5.9
117.07033	5.0
119.04982	3.7
119.08593	32.8
121.06506	84.9
121.10152	22.1
123.04420	7.6
123.08077	6.5
123.11696	16.3
125.05984	19.4
127.03896	4.8
127.07563	8.8
129.07002	4.6
131.08559	8.9
133.06473	5.2
133.10143	26.2
135.04413	16.5
135.08054	12.6
135.11697	8.3
137.05988	9.6
137.13268	4.1
139.07510	20.5
141.05389	3.4
143.07054	10.7
143.08571	8.9
145.02831	5.5
145.10168	17.6
147.08066	7.4
147.11691	54.2
149.09613	3.4
149.13225	14.3
151.07561	3.0
151.11148	12.0
153.01790	18.0
156.09367	3.7
157.08626	12.8
157.10124	17.4
159.06557	11.8
161.06071	4.0
161.09590	3.1
161.13268	14.8
163.03908	56.1
163.14861	5.5
165.12775	21.0
169.12204	21.0
171.02852	6.9
171.11659	14.4
173.09427	3.3
173.13350	5.6
175.11185	36.5
176.06444	3.1
181.10046	4.4
189.12741	23.7
193.12228	31.0
199.11147	28.5
207.13820	19.5
211.13266	42.8
217.12233	96.1
229.14325	16.3
235.13295	100.0
235.15656	5.3
253.14297	53.6
271.15509	3.7
271.24200	8.1
289.06406	21.4
289.10776	5.0
289.18069	7.7
289.22330	4.8
289.25131	23.9
293.42294	3.3
303.28604	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	289.1799
Annotation	16-Epiestriol
Peak:m/z	Relative Intensity
51.02380	0.8
53.03944	1.7
55.01871	5.4
55.05513	26.4
57.03439	20.0
57.07077	1.2
59.05000	1.4
65.03935	1.1
67.05163	1.3
67.05504	17.9
69.03417	2.4
69.07069	6.0
70.33621	1.2
70.33941	0.6
71.04992	1.9
73.49869	0.6
77.03937	1.0
79.05495	21.3
80.05816	0.8
81.03413	4.3
81.07057	16.3
82.53590	0.6
83.04974	2.9
83.08626	9.2
85.06512	1.8
91.04941	1.4
91.05479	21.2
93.07043	9.4
95.04967	6.7
95.08605	4.5
96.10262	0.7
97.06529	2.5
97.10167	10.2
99.08104	0.9
103.05436	1.4
105.03396	0.7
105.04504	1.1
105.07030	14.1
106.05997	0.6
107.04963	10.6
107.08603	10.0
109.06515	8.1
109.10163	7.1
111.08070	1.7
115.05460	3.3
117.07018	13.8
119.04914	1.6
119.08577	24.8
120.08955	0.9
121.06498	12.5
121.10150	5.2
123.04441	3.0
123.08064	3.5
125.05983	1.5
125.09624	5.8
128.06242	1.6
129.07002	5.3
131.04900	3.0
131.08585	7.5
133.06506	4.9
133.07466	0.9
133.10114	4.1
135.08061	18.7
135.11676	1.0
137.05843	0.9
137.09598	3.1
141.06976	3.0
142.07741	0.9
143.08598	5.3
144.05698	4.3
145.06471	8.9
145.10121	5.5
146.07207	0.8
147.08051	11.4
147.11671	1.8
149.09616	3.0
151.07504	0.8
153.09084	1.4
154.07738	0.8
155.08540	2.4
156.29617	0.7
157.06453	1.3
157.10121	5.2
159.08052	100.0
159.11668	1.8
160.08461	3.7
161.09628	7.1
163.07520	7.9
163.11063	1.7
169.10085	3.8
171.11633	1.5
173.09592	6.3
173.11819	1.3
173.13199	1.4
175.07547	2.2
175.11180	2.5
177.09103	5.1
179.08438	0.9
179.10588	1.0
181.10201	0.7
183.11674	1.3
185.09613	7.7
185.13304	0.7
185.61412	0.7
187.11162	2.2
187.14775	1.6
189.09122	0.9
189.12752	2.4
191.10782	1.0
193.12248	1.8
195.11839	1.0
197.09624	2.3
197.13249	2.0
199.11205	2.7
199.54160	0.8
211.11148	4.1
212.13960	0.8
215.14359	3.9
217.12155	1.1
219.13759	1.6
225.12743	1.0
225.16360	1.8
227.14308	1.3
233.15372	9.2
235.14983	1.0
243.17375	5.2
253.15862	17.0
261.18448	3.4
271.16925	32.3
272.17245	2.3
289.17966	95.6
290.18454	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	289.18
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
53.03942	1.5
55.01877	7.9
55.05511	50.0
57.03435	2.4
57.07052	1.9
58.76522	1.2
59.05000	1.5
62.35103	1.1
65.03944	1.8
67.05155	1.7
67.05503	22.4
68.68095	1.0
69.03420	1.5
69.07063	8.7
70.06578	1.4
71.04987	1.7
71.45852	0.9
79.05492	31.1
80.05809	1.0
81.07052	21.7
83.04977	4.3
83.08617	14.7
85.06505	1.3
85.30548	1.0
87.04465	1.3
88.07638	5.4
91.05479	16.7
93.07045	12.5
95.04964	2.5
95.08601	5.3
97.06496	1.1
97.10167	24.9
105.07029	8.5
106.08680	2.9
107.04944	3.7
107.08578	19.8
109.06543	1.8
109.10162	5.5
111.08049	2.8
115.05450	14.2
116.06251	1.0
117.07018	71.4
118.07336	2.1
119.08573	15.5
121.06467	2.5
121.10162	1.7
123.08067	1.6
124.69201	1.0
125.09629	17.1
128.06189	2.8
129.07010	4.5
131.08574	9.8
133.10120	4.0
135.08070	9.0
141.07036	2.5
142.07756	3.7
143.08572	12.1
145.06483	80.2
145.10129	5.4
146.06827	1.2
147.08018	3.3
147.11668	1.6
149.13211	1.2
153.09126	4.0
155.08537	3.8
157.10133	10.3
159.08049	6.7
159.11696	2.1
161.09639	1.5
167.08655	1.3
169.10109	4.0
171.11682	1.4
171.13811	1.2
173.09578	2.1
183.11697	3.9
185.13239	1.9
189.11198	8.2
197.13333	1.4
209.13382	1.5
211.14809	2.5
225.16394	8.8
235.14873	2.4
242.24792	1.2
243.17403	7.6
253.15857	8.4
271.16919	100.0
272.17264	4.4
289.05838	1.1
289.17899	13.0
289.21634	8.3
289.29242	9.4
290.22110	1.0
290.26950	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	289.2163
Annotation	Pipataline
Peak:m/z	Relative Intensity
51.02382	0.6
52.43551	0.5
53.03949	0.7
55.01859	1.1
55.05512	12.4
55.50664	0.5
56.30170	0.5
57.07072	0.9
59.04996	1.4
64.97831	0.6
65.03918	0.9
67.05505	14.8
69.03413	0.6
69.07065	11.0
73.06543	2.0
77.03914	1.0
79.05495	14.4
81.07056	19.0
83.04968	1.8
83.08621	4.4
85.06544	3.9
91.05478	39.0
92.05754	1.0
93.07043	14.5
95.04958	1.7
95.08608	13.8
97.06512	1.5
97.10153	1.2
99.08095	1.1
103.05453	2.0
105.07026	55.0
106.07372	1.0
107.08598	8.5
107.73389	0.6
109.06508	1.3
109.10149	4.7
111.08072	0.9
115.05483	0.6
115.07574	0.7
117.07000	9.4
119.08577	42.4
120.08906	0.7
121.06498	1.1
121.10131	5.2
123.08059	1.4
123.11707	0.9
129.06976	2.2
130.07806	0.8
131.08565	17.1
132.09291	0.6
133.10127	32.2
135.08043	1.2
135.11687	2.0
137.09608	1.5
141.07005	1.0
143.08571	2.7
145.10115	15.1
147.08116	0.8
147.11681	23.0
147.12863	1.1
149.09647	1.3
155.08676	1.0
157.10141	4.1
159.08110	0.9
159.11697	13.4
160.12367	0.5
161.09647	0.8
161.13254	10.3
163.11168	1.2
164.92583	0.5
167.10619	0.5
169.10143	2.4
171.11662	4.0
173.09624	1.0
173.13252	11.4
175.11159	1.0
175.14777	1.3
181.12279	0.6
183.11687	3.4
185.13260	1.4
187.11211	2.1
187.14830	1.6
189.12730	1.1
197.13225	4.2
201.12766	1.7
211.14749	1.4
213.16371	2.1
215.14342	0.9
215.18001	2.6
229.15866	1.0
229.19496	2.1
231.21518	0.5
233.15508	0.6
239.17975	5.6
247.17053	0.6
257.18982	12.0
289.21600	100.0
290.08124	1.4
290.21982	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	289.2162
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
51.02372	0.6
53.03938	0.7
55.01852	1.9
55.05261	1.0
55.05510	13.5
57.07067	1.5
57.22512	0.6
59.04993	1.2
64.97821	0.6
65.03916	0.9
67.05164	1.3
67.05502	15.7
69.03407	1.0
69.07063	11.7
71.04990	0.8
72.96690	0.6
73.06542	2.3
79.05045	1.1
79.05487	15.6
81.07054	19.6
82.97378	0.7
83.04967	2.2
83.08619	6.3
85.06545	3.5
91.05476	40.1
92.05766	0.7
93.07042	17.2
95.04935	2.3
95.08023	1.0
95.08605	13.0
97.06527	2.0
97.10156	1.8
103.05472	0.9
105.07027	55.9
107.08584	8.4
107.50507	0.7
109.06506	1.2
109.10149	4.7
111.08075	1.2
117.07015	11.7
118.07827	0.9
119.08574	46.7
121.06495	1.3
121.10137	4.7
123.08084	1.5
123.11671	0.9
129.06972	2.6
131.08559	17.6
133.10123	35.5
135.08043	1.5
135.11673	2.0
137.09552	0.8
141.06949	1.3
143.08540	3.3
145.10138	15.0
147.11679	24.2
148.12006	0.7
149.09628	1.4
155.08557	1.9
157.10104	5.3
159.11694	14.1
161.09642	1.4
161.13252	10.0
163.11133	1.3
169.10109	1.7
171.11697	5.6
173.09607	1.0
173.13248	11.1
175.11154	1.8
175.14809	2.0
177.12704	0.9
181.60814	0.7
183.11679	3.8
185.13272	1.4
187.11121	2.1
187.14813	1.2
197.13239	3.5
201.12753	1.7
211.14894	1.0
213.16411	1.7
215.14366	0.8
215.17976	2.9
229.15913	1.7
229.19441	2.2
233.15433	0.8
239.17920	6.7
247.16656	0.9
250.15387	0.7
257.18948	11.2
271.16840	0.8
289.06052	1.1
289.21588	100.0
290.21994	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	290.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55640	1.0
53.38705	1.0
54.38885	1.0
56.72453	1.0
60.04533	1.5
64.47166	1.0
67.01625	1.7
71.43860	1.4
72.08167	1.8
74.06086	2.0
81.03457	1.1
86.09718	1.3
95.06096	1.7
98.97601	4.6
114.66680	1.2
116.98629	3.3
127.03957	1.8
159.11310	1.2
170.05827	1.8
202.08430	3.5
204.10150	1.5
218.07872	2.9
228.09956	11.3
246.11006	100.0
257.92444	1.3
264.12012	1.9
265.94159	1.3
290.10013	32.0
290.13000	4.1
291.10324	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0113
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	67.7
67.05534	7.6
69.03424	8.0
69.07088	8.0
69.44735	24.5
69.45140	14.9
69.92783	7.0
70.98122	17.4
71.05004	20.0
72.08141	6.8
81.03426	12.6
83.08610	10.6
84.96021	12.1
85.02906	30.3
86.09709	22.8
97.02913	10.6
98.97583	100.0
98.98481	21.6
111.04449	8.7
111.08096	28.7
116.98640	71.8
124.99123	19.0
129.09108	35.4
134.99602	17.0
139.01546	9.7
143.00175	33.6
144.62376	8.0
152.98686	10.7
158.99713	8.3
161.01236	22.6
170.99687	12.1
173.12854	13.0
174.99130	8.9
177.00728	11.9
179.02319	13.3
189.00732	20.1
201.00626	8.7
213.00684	10.2
223.01144	17.6
231.01697	10.7
248.99176	8.1
249.02797	14.3
267.03735	12.3
272.93729	10.7
273.12238	9.6
290.12869	31.0
290.94763	45.7
291.00925	16.9
291.03906	18.7
291.07816	38.7
291.13220	34.0
309.05066	14.5
309.08435	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	291.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	14.4
70.07868	10.4
70.08193	7.2
83.43827	5.3
91.52232	6.1
98.97572	37.9
110.97552	9.4
116.98640	16.2
124.99145	11.2
128.98688	6.5
143.00195	6.2
158.99742	9.1
291.08261	100.0
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	Tuberatolide A
Peak:m/z	Relative Intensity
53.03959	1.0
55.01885	2.9
55.05515	7.4
57.03448	2.5
65.03947	3.9
67.05507	51.0
68.05807	0.6
69.03425	1.7
69.07070	5.1
69.88449	1.2
77.03932	0.7
79.05492	11.2
81.03414	1.0
81.06575	0.6
81.07059	11.6
83.04988	1.3
83.08614	1.3
91.05481	13.3
93.07046	11.5
95.01362	0.6
95.04968	100.0
95.08606	6.7
96.05273	1.2
97.06534	3.9
97.10195	0.7
98.23424	0.6
103.05496	0.8
105.04537	1.0
105.07035	11.1
107.04956	6.8
107.08607	5.0
109.02852	0.5
109.06519	4.4
109.10162	2.2
111.08090	2.1
115.05462	0.9
116.06234	0.9
117.07033	4.2
119.04936	0.7
119.08603	4.7
121.06515	5.5
121.10116	2.6
123.08073	1.5
128.06203	0.9
129.07034	1.5
131.08562	8.2
132.64272	0.7
133.06496	2.3
133.10133	3.3
135.08093	2.0
135.11664	3.4
137.05991	2.8
143.08582	3.1
145.06473	0.7
145.10115	4.5
147.08058	4.6
147.11691	1.3
149.09602	1.7
149.13292	2.0
153.49713	0.6
157.10152	1.7
159.08098	0.7
159.11708	1.6
161.09650	1.3
163.07561	0.7
163.11201	2.2
165.72617	0.5
169.10129	1.5
171.11711	1.6
177.12746	1.5
181.10074	0.6
185.13249	0.8
187.11198	2.1
205.12302	1.8
227.17958	1.4
237.16360	1.0
245.19073	1.5
255.17470	0.9
255.43835	0.5
273.18472	27.2
291.19550	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03940	0.6
55.01875	1.8
55.05512	6.8
55.05780	0.3
57.03426	0.4
57.07076	0.4
59.04993	0.3
65.03941	0.3
67.05505	4.3
69.03426	1.3
69.07068	3.2
69.49416	0.1
71.04993	0.9
71.34960	0.2
79.05493	6.5
81.03418	0.8
81.07056	6.5
83.04978	0.9
83.08624	3.2
85.06532	0.5
87.04485	0.2
89.36375	0.1
91.05479	5.5
91.22131	0.1
92.06274	0.2
93.07045	6.1
94.04195	0.3
95.04968	3.0
95.08607	2.3
96.20920	0.1
97.06530	0.7
97.10169	2.8
101.09639	0.2
103.05486	0.4
105.03397	0.2
105.04512	0.5
105.07027	6.2
107.04956	2.8
107.08597	3.1
108.05755	0.5
109.06529	1.0
109.10137	1.0
111.04520	0.2
111.08089	0.3
115.05459	0.5
116.06247	0.4
117.05677	0.1
117.07015	2.4
118.04152	0.2
119.04963	1.3
119.08579	4.8
120.05733	0.4
121.06494	1.9
121.10148	1.7
123.08057	1.3
123.11647	0.3
125.09650	1.6
128.06207	0.4
129.06996	1.5
130.07794	0.6
131.04953	0.2
131.08563	2.9
133.06488	3.1
133.10147	1.1
134.07271	1.0
135.08092	1.5
135.11694	0.6
137.09587	0.5
142.07784	0.2
143.08575	1.2
145.06503	0.3
145.10124	2.4
147.08043	3.0
147.11673	0.9
148.08685	0.2
149.09639	1.2
149.13342	0.2
157.10068	0.7
159.11676	0.7
161.09660	1.2
161.13229	0.2
162.10399	1.4
163.11183	0.8
165.09143	0.4
165.12735	0.2
169.10089	0.2
171.11674	0.4
173.13354	0.2
175.11205	1.1
185.13283	0.2
189.11176	0.3
215.18025	0.2
223.13211	0.9
245.19101	0.4
249.14911	2.4
249.18420	0.1
258.24167	0.2
261.14783	0.4
262.15533	0.2
263.16537	0.3
273.18512	3.6
274.18759	0.2
291.19540	100.0
292.19882	4.9
292.22800	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	291.1954
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03932	3.0
55.01871	13.2
55.05510	17.7
57.03433	16.4
57.07051	4.6
57.90541	1.3
58.06590	1.0
58.07391	1.5
65.03925	2.7
67.05164	1.8
67.05505	31.2
69.03418	5.5
69.07064	10.4
69.70669	1.5
69.71002	2.0
70.06599	7.4
71.04990	5.8
71.06913	3.1
77.03905	1.9
79.05041	2.1
79.05491	38.4
80.05843	1.0
81.03417	8.3
81.07056	43.8
83.04976	7.0
83.08618	9.0
85.06538	4.0
88.07621	9.8
89.07954	2.8
91.05479	34.4
93.07040	32.5
95.04967	19.0
95.08601	14.6
97.06541	6.3
97.10152	4.5
99.08081	1.8
102.09173	4.0
103.09525	2.1
105.03346	1.2
105.07024	26.9
107.04952	14.7
107.08589	22.9
109.06514	39.3
109.10140	6.7
111.08088	2.8
113.05992	2.5
115.05439	2.1
116.06224	1.7
117.07019	17.6
119.06022	1.2
119.08575	22.9
120.08947	1.2
121.06503	13.9
121.10129	12.7
123.04375	1.3
123.08064	8.5
123.11681	3.7
125.09616	2.8
128.06232	2.6
129.07008	9.7
130.07817	2.1
131.08560	23.0
132.05624	1.1
133.06480	4.4
133.10094	10.7
135.08044	48.4
135.11684	5.2
136.08340	1.9
137.09602	4.3
141.06966	1.4
143.08554	11.3
145.06442	1.4
145.10126	18.3
147.08047	10.2
147.11705	5.4
149.09613	22.3
149.13260	1.9
153.09164	1.4
155.08531	2.1
157.10094	9.4
159.08020	2.1
159.11682	7.2
161.09616	13.4
161.13177	1.6
163.11180	6.9
163.28899	1.0
165.09135	1.5
169.10181	2.2
171.11694	6.2
173.09657	2.0
173.13197	3.0
175.11174	4.0
175.14929	1.3
177.12708	2.3
181.10136	1.1
183.11674	1.8
185.13240	3.6
189.11241	2.3
189.12766	2.7
195.11656	1.9
195.13686	1.2
199.14757	2.7
201.12775	3.0
203.14316	2.2
217.15865	16.1
219.13852	3.9
221.15219	1.2
227.17950	2.9
228.23241	4.4
229.23540	22.1
237.16351	1.8
245.19055	4.5
249.14894	1.9
251.49846	1.1
255.17432	5.3
263.20120	2.2
268.09366	1.3
273.18472	47.2
273.26208	1.4
274.18701	1.8
290.26907	2.6
291.19525	100.0
291.27182	53.9
292.19830	3.4
292.27490	1.8
313.52493	1.1
313.89050	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03957	3.0
55.01868	12.6
55.05511	47.0
57.03440	8.5
57.07076	1.4
58.28909	1.1
59.04985	2.1
66.28835	1.2
67.05503	33.1
69.03445	5.4
69.07073	10.9
69.88899	3.2
71.04996	3.1
77.03902	1.6
79.05492	55.3
81.03428	1.7
81.07057	48.4
82.07384	1.3
83.04984	5.2
83.08622	18.2
85.06548	2.8
91.05476	66.8
92.05793	1.2
93.07042	23.3
94.02538	1.0
94.63837	1.0
95.04965	13.4
95.08605	13.3
97.06545	3.0
97.10166	24.6
97.66891	1.2
98.23485	1.3
103.05424	2.3
105.03393	4.8
105.04546	2.2
105.07035	22.4
107.04951	13.5
107.08596	21.6
109.06553	5.8
109.10130	9.3
111.08085	3.5
115.05438	3.2
117.06174	1.6
117.07022	28.1
119.04944	4.0
119.08575	68.1
120.08913	1.5
121.06507	13.1
121.10141	8.2
123.08043	3.2
125.09637	20.7
125.85833	1.1
128.06226	3.8
129.06993	10.0
130.07799	1.9
131.08559	26.2
132.05734	1.7
133.06479	6.7
133.10121	6.5
135.08041	11.6
135.11694	2.1
141.07109	1.6
142.07777	1.6
143.08559	16.8
145.10124	27.1
147.08044	39.5
147.11659	2.5
149.09628	4.7
149.13310	1.2
153.09076	3.3
155.08583	2.7
157.10165	9.1
159.08040	3.8
159.11690	10.7
161.09633	6.1
163.11208	3.4
169.10071	1.8
171.10245	2.2
171.11708	5.3
173.09598	1.9
173.11777	1.2
173.13281	1.5
175.11197	3.5
178.33002	1.1
181.10049	2.4
183.11656	2.3
185.09584	1.9
185.13278	3.2
189.11221	15.3
189.12793	2.3
193.12326	1.4
195.11655	2.5
199.11185	2.4
201.12691	1.5
205.12236	1.6
213.12767	2.3
217.15776	2.0
223.13312	2.8
227.17986	4.6
231.13696	1.5
231.17377	1.1
237.16354	3.0
245.18997	3.5
249.14850	7.5
255.17453	8.8
273.18481	100.0
274.18872	4.7
291.19531	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03930	4.1
55.01873	12.9
55.05518	18.2
67.05509	20.5
69.03414	5.2
69.07057	9.8
69.39137	9.0
77.96832	2.1
79.05497	52.8
81.03401	2.7
81.07061	58.8
83.04964	5.3
83.08612	7.5
85.71349	1.8
91.05482	29.0
93.07048	27.8
95.04972	17.3
95.08613	19.8
97.06523	3.6
97.10152	15.5
98.23457	5.0
103.05540	2.2
105.03380	3.3
105.04514	4.1
105.07025	18.9
107.04964	15.8
107.08611	17.0
109.06554	10.0
109.10152	6.3
113.62257	2.2
117.07033	20.5
119.04928	4.2
119.08587	40.7
121.06503	23.2
121.10179	12.1
123.08053	6.1
125.09596	10.1
129.07011	9.9
130.07741	2.0
131.08566	16.5
133.06491	6.0
133.10130	5.6
135.08058	13.5
135.11716	5.0
137.09595	3.6
143.08562	9.7
145.10132	18.5
147.08052	27.1
149.09631	5.5
150.14110	2.0
157.10136	8.1
159.07979	2.4
159.11658	4.7
161.09622	10.9
163.11154	4.7
169.10194	2.3
171.11720	5.9
185.13190	2.4
189.11188	5.9
213.16209	2.2
223.13254	4.5
227.18112	2.3
231.13899	3.6
249.14867	12.2
255.17348	5.7
273.18524	33.9
291.19556	100.0
291.22577	3.9
292.19928	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	291.1954
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03939	3.9
55.01860	11.3
55.05512	37.7
57.03437	68.1
65.03965	4.9
67.05502	70.3
68.92835	2.5
69.03420	5.8
69.07070	22.3
69.47055	9.8
71.00173	2.4
71.04987	5.2
79.05495	68.5
81.03389	4.2
81.07058	71.4
83.04961	9.8
83.08617	21.5
85.06543	16.4
91.05479	100.0
93.07048	59.9
95.04987	16.0
95.08601	27.6
97.06525	6.5
97.10156	11.2
99.08063	2.5
103.05470	5.2
105.03371	2.8
105.07032	65.5
107.04977	20.1
107.08590	35.4
109.06523	34.0
109.10146	11.9
111.08067	4.4
115.05441	4.4
116.06163	3.4
117.07024	46.4
118.07443	2.7
118.73826	2.4
119.04929	5.4
119.08583	51.7
121.06511	14.4
121.10162	17.1
123.08062	8.9
123.11674	3.4
125.09624	10.2
128.06229	3.5
129.07013	25.2
130.07736	6.0
131.08574	54.0
133.06491	7.7
133.10135	19.8
135.08047	32.1
135.11665	8.1
137.09608	4.8
138.74200	2.7
139.74297	2.5
141.06950	2.9
142.07750	2.6
143.08559	27.6
145.10126	57.9
147.08035	30.5
147.11664	8.7
149.09596	11.2
155.08496	7.0
157.10130	30.2
159.08098	4.9
159.11728	17.3
161.09616	20.4
163.11163	6.6
169.10143	5.4
171.11665	9.2
173.09637	4.4
173.13245	6.8
175.11180	8.1
175.43190	2.5
181.10051	3.6
183.11734	5.8
185.13188	3.6
189.11198	4.9
189.12773	4.6
195.11765	3.5
199.11116	2.6
199.14789	13.5
201.12752	10.1
214.68024	2.8
217.15874	41.5
219.13809	6.2
227.17961	5.0
235.84383	2.5
237.16492	6.7
245.19029	6.8
255.17444	10.4
263.19974	3.4
267.67380	2.4
269.10583	3.2
273.18488	91.9
274.18753	6.2
291.19522	99.8
292.19922	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	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03945	5.1
55.01884	11.6
55.05515	21.3
55.87270	2.2
57.03431	3.4
63.90484	2.5
67.05504	23.1
69.03419	4.5
69.07060	9.7
70.18576	2.4
70.44822	2.6
71.04997	3.5
71.45742	3.1
79.05495	55.3
81.03397	2.9
81.07056	52.5
83.04982	5.4
83.08624	11.5
91.05481	29.4
93.07050	28.8
95.04962	21.4
95.08605	17.7
97.06480	2.2
97.10168	7.7
105.07030	26.0
107.04935	12.6
107.08586	17.9
109.06522	10.0
109.10143	6.1
111.08102	2.5
117.07017	26.3
119.04963	4.1
119.08582	41.9
121.06508	18.8
121.10151	10.8
123.08057	3.5
125.09644	10.9
128.06177	2.6
129.07008	9.5
131.08565	15.3
133.06476	7.0
133.10121	4.9
135.08078	16.7
135.11710	5.5
137.09567	3.0
143.08575	7.3
145.10138	20.0
147.07150	2.5
147.08070	24.3
149.09622	8.9
153.09016	3.4
157.10120	5.0
159.08095	2.9
159.11682	7.4
161.09648	8.3
163.11206	4.4
171.11671	4.2
173.09567	3.1
184.70015	2.8
185.13258	4.7
189.11201	6.3
199.11057	2.7
211.68924	2.6
223.13309	5.6
227.17923	4.4
245.18910	2.8
249.14816	14.5
255.17438	4.6
273.18509	35.7
291.19534	100.0
291.22699	3.9
292.19861	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	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03933	2.5
55.01879	9.6
55.05264	1.0
55.05511	19.4
55.10254	0.9
55.55132	0.9
57.03434	2.2
57.07076	1.2
59.05003	1.7
60.14097	1.0
65.03928	1.8
67.05501	20.2
69.03418	3.7
69.07069	6.9
71.05000	2.7
77.03915	1.4
79.05491	40.3
81.03429	2.7
81.07054	46.1
81.33739	0.9
83.04973	3.9
83.08616	9.0
85.06510	1.3
90.30399	0.9
91.05479	26.5
93.07040	23.9
95.04964	16.1
95.08608	15.0
97.06517	2.1
97.10172	10.4
98.23517	2.1
103.05476	1.5
105.03377	2.5
105.04520	1.8
105.07030	18.2
107.04948	10.6
107.08585	14.7
107.09262	1.4
109.06524	8.2
109.10138	5.8
109.90353	0.8
111.08082	2.5
111.38322	1.1
115.05457	2.1
116.06240	1.4
117.07017	17.5
119.04932	4.5
119.08578	35.4
121.06509	17.6
121.10129	9.8
123.08073	3.7
125.09616	9.2
128.06201	2.4
129.06999	7.9
130.07773	1.7
131.08583	11.2
132.08856	0.9
133.06500	6.4
133.10132	7.4
135.04436	1.7
135.08052	9.0
135.11687	3.6
137.09592	2.2
141.06999	0.9
142.07736	1.2
143.08594	5.8
145.06468	1.8
145.10117	16.3
147.08046	18.3
147.11627	2.3
147.24841	1.1
149.09605	7.6
149.13196	2.0
151.11247	0.9
157.10120	7.6
159.08054	3.0
159.11694	6.1
161.09602	7.5
161.13240	1.5
163.11188	5.7
165.09109	1.3
169.10146	1.4
171.10291	1.0
171.11676	3.0
173.09605	1.1
175.11180	2.6
177.09120	1.5
185.13332	2.7
189.11241	6.5
189.12706	1.2
199.11229	1.8
213.12778	2.2
223.13229	5.6
224.00923	0.8
227.17905	2.6
237.16438	1.4
245.18962	3.4
249.14870	9.8
255.17380	4.2
271.78720	1.1
273.18478	36.4
274.18854	1.4
291.19550	100.0
291.22784	3.5
292.19785	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	291.232
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03943	2.8
54.99760	0.7
55.01861	2.4
55.05510	21.7
56.90165	0.7
57.07069	3.1
59.04995	1.2
65.03937	1.7
67.05505	36.8
69.03442	0.7
69.07066	18.5
69.19271	3.1
69.19677	1.5
71.04984	1.4
73.06534	0.9
77.03915	1.9
79.05492	78.6
80.05832	1.9
81.03412	0.8
81.07054	48.4
82.07368	0.9
83.04979	2.7
83.08189	1.0
83.08627	10.2
85.06544	3.6
91.05478	28.4
93.07044	100.0
94.07378	2.1
95.04977	8.2
95.08604	33.5
96.08927	1.0
97.06528	3.5
97.10146	5.1
98.23462	1.0
99.08096	1.4
105.04518	3.1
105.07028	20.9
107.04973	2.4
107.08593	58.9
108.08945	1.1
109.06514	3.4
109.10151	14.1
111.08086	1.8
117.07035	4.0
119.04948	1.0
119.08579	15.9
121.06469	2.1
121.10142	45.7
122.10492	1.1
123.08044	3.3
123.11732	3.0
125.09672	2.0
129.07002	2.8
130.07861	0.8
131.08531	6.3
133.06482	1.8
133.10126	14.0
135.08066	3.1
135.11687	48.7
136.12035	0.9
137.09618	2.3
141.09151	1.2
143.08580	2.6
145.10114	7.0
147.08040	2.4
147.11668	8.1
149.09639	2.3
149.13258	28.1
149.14462	1.4
150.13586	0.8
151.11214	1.4
157.10155	3.6
159.11694	4.6
161.09616	1.2
161.13258	6.8
163.11198	2.8
163.14813	8.9
166.64655	0.8
171.11693	4.2
173.13255	2.9
175.11212	1.9
175.14807	5.2
177.12770	2.4
177.16473	1.2
185.13298	3.9
185.45900	0.8
189.12747	2.0
195.13815	0.8
199.14838	2.7
203.14375	1.5
207.13809	1.2
209.15404	1.6
215.17908	0.8
217.19507	1.4
221.15460	1.0
231.17401	1.3
235.17024	1.4
241.19504	3.5
249.14970	1.9
249.18553	1.6
259.20541	6.1
263.20102	0.9
273.18533	2.9
291.19565	52.3
291.23196	44.4
292.19986	3.6
292.23553	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2683
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03936	1.2
53.56942	0.6
55.01873	2.3
55.05510	15.0
55.18893	0.7
57.03440	2.0
57.07082	5.7
58.32866	0.7
59.05006	1.3
65.03947	1.1
67.05506	28.6
69.03423	1.5
69.07068	25.9
69.36546	1.1
69.36945	1.9
71.04992	10.0
71.08631	1.9
73.29642	0.6
79.05495	15.4
80.06285	0.7
81.03445	1.7
81.07057	100.0
82.07416	1.7
83.04991	1.0
83.08624	11.0
85.06531	3.3
85.10180	0.7
91.05472	7.8
93.06448	1.1
93.07047	21.2
95.04987	2.4
95.08607	89.1
96.08958	1.1
97.06543	5.4
97.10159	6.6
99.08086	3.5
105.07033	8.5
107.04980	1.7
107.07832	1.2
107.08588	23.7
109.06537	4.3
109.10159	49.7
110.10517	0.9
111.08101	4.1
111.11721	4.6
113.09624	0.9
117.07063	2.2
117.78357	0.9
119.08569	7.7
121.06509	1.0
121.10155	16.7
123.08050	1.1
123.11707	31.3
125.09605	1.7
125.13342	1.0
127.11174	6.6
129.07025	1.2
131.08569	2.3
133.10123	5.7
135.08058	5.0
135.11694	13.6
137.09615	1.0
137.13257	17.8
139.11200	1.1
141.12729	1.8
143.08586	1.8
145.10112	1.7
147.11667	4.4
149.09579	1.0
149.13255	18.4
151.14816	15.4
151.15971	1.2
153.12721	5.3
157.10132	1.5
159.11697	1.2
161.02322	1.5
161.09615	1.7
161.13251	4.2
163.03958	2.2
163.14825	9.4
165.09155	0.9
165.16379	1.5
167.14333	3.5
173.02374	2.5
175.14821	1.9
177.16429	5.2
179.17973	0.8
181.15837	1.0
185.13376	0.7
189.12874	0.8
189.16330	3.6
191.17979	4.6
195.17438	0.8
203.17917	4.6
205.19540	6.6
206.89392	0.7
215.07063	3.0
217.15932	1.6
217.19545	5.3
218.11852	0.9
219.21167	1.0
221.19029	1.3
231.21095	0.9
235.20645	1.6
247.24213	0.8
248.08627	0.7
255.17332	0.9
259.09698	1.0
273.18518	4.2
273.25784	11.7
291.19647	11.2
291.26810	39.7
292.19470	1.0
292.27118	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	292.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14248	0.4
69.35075	1.6
69.35482	1.0
72.08143	0.6
84.08147	0.9
87.04471	31.1
91.05479	0.7
95.04954	0.9
106.06556	0.6
107.04903	0.6
118.06548	19.4
123.04429	0.7
130.06516	0.7
135.33269	0.4
146.06007	8.9
148.07516	1.1
150.09160	2.9
151.03931	2.3
151.09933	6.9
165.05475	4.6
174.05515	6.3
176.07077	1.1
178.08588	0.9
194.08138	1.1
195.08907	2.1
204.10182	3.1
206.08134	29.0
207.08424	0.7
225.07603	1.3
232.09654	1.2
247.14339	0.6
248.16386	2.6
260.09146	2.1
274.12732	2.3
275.13980	0.7
275.70239	0.5
292.11780	100.0
292.18591	6.6
293.12091	4.0
293.14807	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01830	1.0
55.05469	1.1
56.96564	23.6
57.03424	0.5
67.05456	1.4
68.36489	0.3
69.07036	0.5
69.44509	1.1
69.68797	0.3
70.98077	0.6
71.95207	1.0
72.96000	0.9
79.05438	1.5
80.05834	0.4
81.07011	1.5
83.08573	0.4
91.05466	1.6
93.06999	1.1
94.07352	0.4
95.04940	0.5
95.08540	1.1
97.06490	0.6
97.10149	0.5
97.96777	0.6
105.06994	1.5
107.04954	0.3
107.08590	2.8
109.06474	0.8
109.10138	0.6
110.06799	0.5
110.97544	0.9
115.00656	1.0
119.01673	0.7
119.08536	1.0
123.01128	0.5
123.08018	0.3
125.09594	0.6
127.00639	0.5
131.08522	0.8
133.10080	1.0
135.08025	0.6
137.02719	1.5
141.02211	0.6
145.10080	0.8
147.11690	0.4
149.09560	0.9
151.04210	0.3
151.07431	0.5
151.11058	0.4
153.02217	0.6
155.03751	0.7
159.03326	0.7
159.11676	0.4
167.03722	0.7
169.05324	0.7
171.03284	0.6
173.04765	0.4
179.07309	0.3
181.05312	0.4
183.03244	0.4
185.04922	0.7
187.06354	0.7
195.06851	2.9
199.06442	2.0
207.06953	1.0
208.14151	0.4
213.07980	22.5
214.08279	0.6
215.09555	0.4
217.07460	2.8
221.08510	0.8
223.09952	0.5
225.07974	4.8
225.11470	0.5
231.09038	19.3
233.08536	0.7
234.15746	0.6
236.09535	1.0
239.09543	3.6
241.11147	0.5
243.09074	2.6
251.09497	12.1
254.10631	0.6
257.10672	2.6
257.19086	0.6
269.10583	100.0
270.10953	3.5
274.18839	1.0
275.20013	3.5
287.11639	56.1
288.11917	2.1
288.95062	0.3
292.12195	8.0
292.19891	2.4
292.22772	0.8
293.12509	0.7
293.21011	0.7
310.13181	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	292.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	2.3
59.05007	8.2
67.05544	2.4
69.03444	1.6
69.16954	5.8
69.17372	3.5
79.05518	2.6
81.03434	2.5
83.04990	2.2
84.08146	3.9
85.06575	1.4
87.04478	4.6
91.05507	2.4
95.04964	10.5
97.06537	1.8
101.06014	1.8
108.08143	2.8
109.02887	5.9
109.06488	2.1
111.04443	4.8
111.08104	3.1
118.06538	3.4
119.04916	1.6
123.04421	5.2
125.02382	3.2
130.04980	1.7
137.06001	2.0
137.87215	1.7
139.03902	100.0
140.04227	2.3
146.06020	1.6
150.09163	5.9
151.03912	46.3
151.09917	17.9
155.06973	1.9
165.05481	89.6
166.05811	1.8
168.94855	1.4
169.05061	1.6
171.08723	1.6
181.04970	9.8
181.21233	1.5
183.06514	15.1
193.04926	9.3
199.06009	4.0
206.08224	4.3
213.07582	4.1
215.09195	2.4
225.07578	85.1
226.07982	2.2
243.08688	11.7
248.16534	5.8
257.10220	22.2
258.44690	1.5
292.11908	15.6
292.15500	2.9
292.19028	12.5
293.15161	1.8
293.18567	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	293.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
66.79346	1.3
75.58423	1.4
80.62489	1.4
120.75038	1.6
146.74924	1.6
173.15753	1.4
229.55623	1.8
293.06302	100.0
294.06561	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1381
Annotation	40321-98-0
Peak:m/z	Relative Intensity
53.03943	1.1
55.05508	24.2
65.03928	1.2
67.05494	1.5
69.03425	0.6
69.07061	0.9
70.05893	0.4
71.04971	0.5
73.06551	10.7
79.05492	1.0
81.03412	0.8
81.07043	1.3
83.04977	0.6
85.02894	1.0
87.04478	0.5
91.05470	2.9
93.03353	0.6
93.07045	1.0
95.04948	0.5
95.08586	1.0
96.04515	0.5
99.04429	0.4
103.05447	1.1
105.07000	1.1
107.08585	1.4
109.02881	1.0
109.10116	0.8
111.04424	0.8
116.06164	0.4
117.06982	0.6
118.98204	0.4
119.08572	0.9
121.02859	6.6
121.03830	0.8
121.10140	0.9
129.06992	2.6
131.04933	2.4
131.08560	2.7
133.10202	0.4
143.04893	1.2
144.06538	0.6
145.06361	0.5
145.10149	0.5
146.05963	0.6
147.08159	0.4
149.02330	100.0
149.09639	0.5
150.02650	1.6
157.06470	0.8
161.05968	5.0
164.07098	1.2
167.03398	0.7
175.07536	19.4
178.08536	0.5
185.05952	1.1
188.19441	0.4
203.07018	27.6
204.07336	0.9
209.11729	1.5
221.08089	1.0
250.10757	0.8
252.12288	1.3
275.12747	5.2
293.07983	1.3
293.14032	4.8
294.09601	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03952	4.0
55.01876	9.2
55.05513	15.9
57.03431	2.6
57.07077	1.7
62.48521	0.8
65.03945	2.4
67.05507	32.9
68.17376	0.8
69.03437	1.6
69.06712	1.4
69.07069	19.4
69.25098	4.8
71.04990	3.2
77.03931	1.4
79.05497	39.9
81.03416	7.8
81.07059	100.0
82.07370	1.7
83.04984	5.3
83.08624	12.4
85.06555	2.7
85.85440	0.8
87.20222	0.8
91.05482	23.0
93.07041	22.0
95.04976	16.4
95.08610	20.2
97.06534	8.3
97.10217	3.9
99.08089	2.0
101.06023	1.0
105.07032	24.4
106.89644	0.7
107.04961	8.9
107.08591	20.5
109.06521	36.7
109.10160	9.9
111.04440	0.9
111.08094	4.5
113.05981	1.1
117.07005	8.4
119.08588	20.8
119.74511	0.8
120.09058	1.0
121.06541	4.9
121.10135	12.8
123.08067	10.0
123.11677	4.3
125.09624	3.0
129.07001	3.1
130.02547	0.9
131.08560	8.7
133.10141	18.1
135.08051	4.5
135.11664	4.8
137.09604	5.3
141.07001	1.8
143.08559	2.0
145.06488	1.0
145.10129	12.4
147.08064	1.5
147.11682	16.4
149.09628	10.4
149.13286	6.9
151.11177	4.5
155.08543	1.2
157.10161	2.8
159.11728	8.6
161.09708	1.6
161.13274	2.9
163.11174	7.2
163.14828	2.1
165.09128	1.1
165.12682	4.1
169.10144	1.5
171.11693	2.1
173.09633	2.8
173.13187	4.0
175.11189	4.0
177.12769	3.4
179.14307	1.6
183.11671	1.5
187.11243	1.5
187.14798	1.6
189.11177	1.6
189.12721	1.7
191.10689	1.2
193.12259	3.2
201.12746	1.4
205.12302	1.0
215.50136	0.9
219.13835	1.4
223.13269	1.3
229.19524	3.5
237.15019	1.1
239.17964	1.8
247.20561	4.2
257.19070	8.1
275.20065	58.4
276.20392	3.1
293.21091	42.3
294.21332	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03951	3.1
55.01873	16.9
55.05511	27.4
56.05847	0.8
57.03441	2.2
57.07091	1.0
59.04982	1.2
65.03938	1.4
67.05504	37.6
68.05836	1.1
69.03441	2.6
69.07066	27.1
70.06747	1.4
70.07042	1.1
70.07384	0.8
70.43982	0.8
71.04996	2.9
71.08607	0.9
77.03954	1.6
79.05490	42.9
80.05836	1.5
81.03423	8.6
81.07056	42.2
82.07393	2.0
83.04982	6.7
83.08624	12.9
85.06557	2.3
91.05478	33.3
92.05824	2.5
93.07044	29.5
94.07385	1.8
95.04970	15.3
95.08605	25.2
96.08947	1.0
97.06527	16.2
97.10179	16.5
97.47448	0.8
99.08081	1.4
103.05460	1.2
105.04537	1.6
105.07026	35.9
106.07334	1.7
107.04977	9.7
107.08595	67.4
108.08932	1.8
109.06520	7.6
109.10152	10.0
111.04420	0.9
111.08095	3.5
112.61070	0.8
115.05460	1.3
117.07027	9.8
119.04980	0.9
119.06065	2.3
119.08580	19.4
120.08932	1.1
121.06516	4.5
121.10143	12.6
123.08072	6.6
123.11688	4.4
125.09624	13.4
129.07011	1.5
131.08562	14.3
132.08926	1.7
133.06522	1.6
133.10138	18.5
135.08055	4.9
135.11687	8.9
137.09657	4.1
137.13264	1.2
139.07486	1.0
139.11212	1.0
141.07030	1.8
141.09090	0.8
143.08572	3.4
145.06499	0.9
145.09068	0.7
145.10124	15.4
146.10481	1.6
147.08041	1.6
147.11700	12.9
147.79483	0.8
149.09613	19.9
149.13326	4.3
150.09990	1.0
151.11197	6.2
153.09171	1.3
153.12746	1.4
155.08525	1.3
157.10135	3.0
159.08084	1.3
159.11710	8.8
161.09695	1.4
161.13312	4.9
163.11217	10.4
165.09134	5.1
165.12769	1.4
169.10165	2.3
171.10199	1.3
171.11685	2.6
173.13266	5.7
175.11201	2.5
177.12787	5.5
179.10645	1.3
179.14307	2.2
181.12224	1.7
183.11705	2.7
185.13322	1.2
187.11220	3.1
187.14923	1.1
189.11220	10.7
189.12749	1.2
191.14265	1.3
195.13748	1.3
197.13275	1.6
201.12767	1.4
205.12259	1.5
213.16444	0.8
215.14230	0.9
223.13368	2.2
229.19504	3.8
239.17911	5.1
247.20541	4.1
257.18979	11.2
270.10791	1.2
275.20065	100.0
276.20328	5.1
293.21057	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03932	2.9
55.01624	1.2
55.01870	13.5
55.05266	1.3
55.05510	19.5
56.50681	0.7
56.71987	0.6
57.03428	2.1
57.07069	1.7
59.04983	0.8
65.03945	1.6
67.05505	27.1
69.03428	2.1
69.07066	20.1
69.23808	0.7
69.87074	2.1
71.04969	1.5
74.97533	0.6
77.03912	1.0
79.05492	34.0
81.03423	5.4
81.07056	28.3
83.04980	5.9
83.08626	10.0
85.06525	1.8
91.05482	25.8
93.07047	22.2
95.04971	7.5
95.08601	19.7
96.08878	0.8
97.06531	15.4
97.10169	10.9
98.22809	1.1
99.08069	1.2
100.98885	0.7
103.05463	0.9
105.04523	0.8
105.07029	27.8
106.07348	0.8
107.04960	7.6
107.08591	53.2
108.08939	1.1
109.06532	7.4
109.10155	9.6
111.08075	2.9
115.05410	0.7
117.07024	6.9
119.06089	1.5
119.08575	17.2
121.06498	3.7
121.10149	11.1
122.07314	0.9
123.08073	5.0
123.11674	3.3
125.09644	10.6
129.06987	2.6
131.08557	9.8
133.06480	1.3
133.10126	17.7
135.08058	4.9
135.11682	6.7
137.09616	3.8
141.07014	1.3
143.08548	1.8
145.06485	1.2
145.10112	12.0
147.11679	11.7
149.09622	17.8
149.13235	3.5
151.11166	5.7
155.08548	0.9
157.10149	1.9
159.11693	9.4
160.11925	0.9
161.09612	1.6
161.13281	3.8
163.11176	5.8
165.09090	6.9
165.12779	0.9
169.10127	1.8
171.10225	1.2
171.11714	2.0
173.13263	5.8
175.11177	2.2
177.12701	3.5
179.10722	0.7
179.14311	1.9
181.12283	1.2
183.11719	1.9
185.13225	0.9
187.11191	2.7
187.14790	1.2
189.11201	9.4
189.12740	1.1
197.13184	1.7
201.12828	0.8
201.16412	1.1
205.12090	1.4
211.14977	0.7
215.17924	0.9
219.17447	0.8
223.13353	1.0
225.14844	0.7
229.19492	4.5
233.18944	1.2
239.17978	4.6
247.20609	6.2
257.19012	11.0
258.19333	0.8
263.95380	0.7
270.10904	2.1
275.20056	100.0
276.20538	4.6
288.12146	0.8
293.21054	19.2
294.21405	0.8
295.57379	0.6
312.06851	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.23821	0.6
53.03941	2.2
55.01619	0.8
55.01872	10.1
55.05511	26.0
57.03431	1.6
65.03931	1.7
67.05502	19.2
69.03416	2.1
69.06711	1.0
69.07069	12.6
69.70614	1.9
71.04995	1.3
73.06499	0.6
77.03943	1.3
79.05492	48.9
80.05809	0.7
81.03413	4.2
81.07058	18.8
83.04979	4.8
83.08618	14.0
85.06522	1.3
89.34822	0.6
91.05480	26.8
93.07046	17.1
95.04974	4.6
95.08608	12.3
97.06528	9.1
97.10168	20.2
98.23390	0.9
103.05500	0.7
105.04520	1.6
105.07030	29.3
106.07365	0.8
107.04947	8.7
107.08592	100.0
108.08932	1.9
109.06512	5.8
109.10165	5.8
111.08068	2.6
117.07014	5.3
119.06074	2.3
119.08578	12.9
121.06512	1.7
121.10151	6.6
123.08081	2.7
123.11700	2.0
125.09628	17.9
126.09947	0.7
131.08572	7.8
133.10121	15.4
135.08058	3.2
135.11700	4.9
137.09596	1.6
141.07002	0.7
143.08577	1.5
143.10683	0.8
145.06548	0.9
145.10112	12.7
147.08080	0.7
147.11685	9.7
149.09612	12.8
149.13243	1.6
151.11195	2.2
153.09129	2.3
153.12788	1.2
155.08562	1.0
157.10187	2.2
159.11681	6.9
161.09644	1.0
161.13266	3.8
163.11240	4.1
165.09106	2.2
169.10115	1.5
171.10159	2.9
171.11720	2.3
173.11877	0.8
173.13181	3.2
175.11180	0.9
177.12788	1.3
179.14326	1.6
181.12234	2.5
183.11658	1.9
185.13306	0.6
187.11224	2.1
187.13271	1.1
189.11214	16.3
189.12794	1.2
191.14388	0.8
197.13293	0.9
205.12270	0.9
215.14375	0.6
215.18018	1.0
229.19498	2.1
233.15179	0.7
239.17955	4.3
247.20534	1.8
257.18997	9.0
275.20053	73.1
276.20453	2.6
293.21033	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.30622	1.7
52.08438	1.8
55.01876	3.7
55.05511	16.9
57.03437	27.5
57.07077	2.7
67.05504	27.6
69.07078	10.8
69.83124	6.0
71.04998	2.5
74.15902	1.6
77.03921	3.2
79.05501	46.7
81.07057	37.3
83.04987	3.0
83.08627	8.9
83.57947	1.8
85.06558	6.8
91.05482	44.8
93.07050	67.9
95.04965	8.4
95.08610	30.0
96.36886	1.8
97.06542	7.8
97.10181	4.2
99.08116	3.4
103.05423	2.2
104.02621	1.8
105.04542	3.3
105.07032	48.1
107.04952	4.3
107.08598	37.2
109.06542	8.9
109.10181	7.1
111.08075	3.3
114.70580	2.0
117.07010	14.1
119.08591	39.0
121.06523	2.4
121.10159	15.0
123.08072	6.6
129.06174	1.7
129.06978	9.7
131.08569	19.2
133.10126	25.8
135.08099	2.0
135.11726	4.5
137.09627	2.1
143.08585	7.3
145.10138	20.5
147.11674	22.0
149.09619	10.3
155.08649	2.4
157.10117	6.2
159.11703	20.2
161.13264	16.6
163.11180	4.6
173.13284	8.0
175.11206	2.8
175.14835	5.8
176.55046	2.0
177.05470	2.4
178.06125	2.5
183.11716	5.2
185.13277	25.9
191.14314	3.3
197.13219	3.4
201.16437	9.0
203.14302	21.6
219.17455	50.4
221.15364	28.9
229.19467	2.1
233.11722	4.0
239.17973	7.9
256.63940	1.8
257.18994	20.9
258.19376	1.9
264.65848	1.6
272.52344	1.9
274.26990	1.9
275.20068	100.0
276.20453	4.8
293.21100	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03931	4.9
55.01662	2.0
55.01875	18.3
55.05510	41.9
57.03424	5.0
57.07065	3.6
64.31725	1.4
65.03913	2.8
67.05505	66.1
69.03413	4.0
69.06718	3.2
69.07069	43.0
70.72575	2.1
71.04975	6.3
79.05046	2.3
79.05492	50.1
81.03429	10.3
81.07056	100.0
83.04981	9.7
83.08615	21.3
85.02886	1.8
85.06533	5.4
90.42630	1.4
91.04945	3.1
91.05480	46.4
93.07046	45.8
95.04969	51.9
95.08023	2.8
95.08604	41.3
97.05945	2.0
97.06528	15.7
97.10172	9.0
99.08094	1.8
105.04509	2.9
105.07027	47.9
107.04953	10.9
107.08593	41.0
109.06504	16.7
109.10162	25.7
111.08067	10.2
112.56777	1.4
115.05445	1.9
117.07010	11.3
119.08582	43.3
121.06506	7.6
121.10143	21.6
123.08064	25.9
123.11700	11.6
125.09657	9.2
129.06973	3.4
130.07759	1.4
131.08565	15.9
133.10133	33.1
135.08020	6.8
135.11705	12.5
137.05977	15.1
137.09599	13.1
138.98331	1.4
139.11169	2.7
141.02530	1.3
143.08556	2.6
145.06555	2.0
145.10110	17.7
147.07991	2.3
147.11674	24.5
149.09613	18.2
149.13176	3.3
151.11201	9.9
157.10092	3.8
159.11702	9.9
161.09575	2.0
161.13208	6.6
163.11145	12.7
165.09116	2.7
165.12729	5.1
169.10085	2.7
171.11682	3.4
173.09601	1.8
173.13228	7.4
175.11128	2.7
177.12671	4.5
179.10591	1.7
183.11671	1.6
187.11201	2.1
189.11203	5.8
189.12715	2.7
191.14314	2.0
193.12222	1.9
197.13170	3.0
201.12704	2.4
205.12221	2.4
207.13803	1.9
213.16306	1.9
219.13765	2.7
219.17416	2.7
223.13306	8.8
229.19553	3.0
233.15390	1.6
237.14717	3.8
239.17998	3.3
240.25890	1.6
247.20581	7.7
249.18562	1.7
251.16328	3.9
257.18967	10.1
275.20062	92.9
276.20367	3.3
293.21051	59.5
294.21405	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.01800	3.5
55.05436	10.8
55.05727	1.4
55.95901	0.6
57.03379	0.8
57.07004	2.3
63.46973	0.6
65.03865	0.7
67.05419	20.3
67.05813	2.4
69.03342	2.1
69.06982	17.6
69.07389	2.0
69.55186	2.7
71.04937	1.2
79.05405	16.5
79.05889	1.1
81.03351	1.1
81.06965	27.0
83.04887	6.9
83.08527	5.0
85.06457	1.1
91.05474	17.1
91.05984	1.0
93.07038	21.2
95.04968	8.3
95.08601	16.1
95.09159	0.8
97.06522	3.8
97.10078	2.5
101.05980	0.7
105.07024	18.1
107.04945	6.3
107.08581	13.0
109.06513	8.5
109.10151	8.4
111.07988	1.8
116.85726	0.6
117.07002	5.2
119.08566	13.2
121.06495	8.7
121.10143	8.3
123.08050	4.3
123.11607	2.5
125.09611	1.7
129.06912	2.2
131.08560	10.6
133.06404	2.3
133.10123	14.7
135.08073	3.8
135.10750	0.6
135.11662	5.5
137.09534	2.0
139.11241	0.6
143.08424	2.2
145.06396	1.4
145.10109	11.3
147.08064	3.3
147.11670	10.3
148.38739	0.6
149.09570	4.7
149.13162	2.5
151.11186	5.4
155.08493	1.1
157.10010	2.9
159.07976	1.3
159.11676	4.2
161.09525	2.4
161.13158	1.4
163.11209	4.4
163.14697	1.0
165.12715	0.8
169.10075	1.4
171.11624	1.6
173.09508	2.1
173.13242	3.9
175.11067	1.9
175.14723	0.8
177.12636	1.5
183.11665	1.2
185.13211	1.8
187.11089	1.7
187.14781	1.2
189.12630	0.9
191.14227	1.9
197.13161	1.1
201.12706	2.2
205.19322	0.7
207.13722	2.7
215.14320	1.4
215.17856	1.4
219.13808	4.8
229.19473	2.1
233.11525	0.8
233.19077	1.0
239.17894	4.6
247.20544	3.0
257.19003	13.4
275.20044	100.0
276.20441	3.2
293.21063	29.3
294.21347	1.3
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	9-OxoOTrE
Peak:m/z	Relative Intensity
51.81436	1.5
53.03944	12.7
55.01877	12.1
55.05509	18.3
57.03431	6.3
57.07082	4.7
60.01719	1.6
65.03944	1.5
67.05502	43.7
69.03442	3.1
69.07066	26.4
69.16930	10.1
71.04991	5.3
79.05495	41.2
81.03421	29.9
81.07059	100.0
83.04971	8.8
83.08612	11.5
85.06541	5.9
91.05479	38.3
93.07050	30.5
95.01341	5.2
95.04964	16.0
95.08612	31.4
97.06525	14.5
97.10162	4.5
99.08109	2.5
105.07032	50.4
107.04961	15.0
107.08587	22.7
109.06520	28.3
109.10155	13.7
111.04459	4.2
111.08102	2.4
117.07034	10.9
119.08585	31.2
121.06523	5.4
121.10153	12.4
123.08050	12.3
123.11716	2.9
125.09676	2.5
129.07014	2.0
131.08557	18.9
133.10135	37.7
135.08044	3.9
135.11684	8.8
137.09607	9.4
139.07619	1.6
143.08566	3.1
145.06499	4.0
145.10118	17.5
147.11681	14.2
149.09651	8.7
149.13243	7.5
151.11206	4.3
157.10091	3.8
159.11653	9.9
161.13306	3.9
163.11166	5.2
165.09120	2.9
165.12877	2.4
169.10181	3.6
173.13245	3.6
175.11162	1.6
177.12807	5.6
179.14317	9.8
187.11147	6.7
191.14302	1.8
193.12286	3.9
195.13823	1.8
219.17500	13.7
223.13272	4.5
229.19533	2.9
237.11371	2.6
239.17860	2.2
247.20674	7.0
257.18976	8.0
275.20065	68.3
276.20377	4.7
293.21109	30.1
294.38235	1.7
313.42474	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
55.01870	46.3
55.05510	48.9
56.41595	2.8
57.03448	3.7
57.07084	3.1
57.52117	3.2
58.41055	3.2
67.05503	44.8
69.07069	18.4
69.75208	12.2
71.05005	6.1
71.50748	3.3
79.05489	68.7
81.07062	37.8
83.04979	19.4
83.08623	13.0
85.06544	3.9
91.05481	35.1
93.07043	40.2
95.04977	9.2
95.08630	14.4
97.06533	74.2
97.10168	18.1
97.70142	3.5
105.07029	31.4
107.04958	33.2
107.08588	46.6
109.06544	7.6
109.10171	14.0
111.08071	4.8
117.07048	8.0
119.08588	22.1
121.10153	16.8
123.11709	7.7
125.09621	21.8
131.08574	13.6
133.10126	18.1
135.08041	9.9
135.11736	4.9
137.09677	4.0
145.10141	9.3
147.11687	11.4
149.09627	62.9
149.13306	4.2
151.11151	4.3
159.11708	9.7
161.13297	5.5
169.12274	4.1
171.10158	5.5
173.11714	4.1
179.14264	7.4
189.11232	12.5
201.86015	3.3
209.15378	3.7
229.19534	8.6
236.00957	3.5
247.20496	6.7
257.19016	11.9
275.20065	100.0
293.21075	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	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.63597	2.1
55.01866	7.1
55.05506	18.4
57.07071	3.5
59.04976	2.4
61.42388	2.1
67.05503	62.4
69.07069	10.9
69.52091	2.0
69.88444	7.4
79.05495	37.8
80.13030	2.0
81.06618	4.2
81.07053	38.4
83.04976	5.3
83.08620	11.1
91.05479	41.4
93.07043	28.6
95.04971	6.0
95.08605	24.1
95.62222	2.1
97.06532	4.5
97.10172	6.5
105.07019	53.1
107.04963	5.2
107.08607	21.9
109.06541	4.5
109.10155	19.5
111.08110	4.3
117.07033	12.5
119.08584	34.4
121.02549	2.0
121.10127	13.9
123.08072	5.8
123.11684	5.5
125.09599	3.8
129.07016	2.4
131.08560	14.9
133.10127	35.9
135.08014	2.6
135.11664	4.0
137.09639	5.3
143.08553	2.9
145.10120	13.4
147.11687	27.8
149.09583	13.6
159.11699	9.3
161.09528	2.8
161.13286	8.3
163.11110	3.5
169.10130	2.7
173.13268	10.3
175.11237	2.9
187.14847	2.8
189.11307	3.0
229.19537	4.1
233.15408	2.5
237.11206	3.5
239.17833	3.5
247.20633	8.2
257.19049	9.9
275.17026	5.0
275.20056	100.0
276.20544	3.6
293.21057	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03942	10.3
55.01874	8.9
55.05512	42.1
55.80337	1.5
57.03424	2.6
57.07070	2.7
65.03923	2.1
67.05159	2.2
67.05505	41.4
69.07066	18.1
70.06683	3.0
70.90903	1.3
71.04980	4.1
79.05488	30.8
81.03417	27.2
81.07056	49.4
83.04980	7.8
83.08617	53.0
85.02892	1.5
91.05479	26.5
93.07040	27.9
95.04967	41.2
95.08601	21.0
97.06535	7.7
97.10160	9.7
105.04512	1.7
105.07024	21.5
107.04951	26.5
107.08585	24.6
109.06539	11.5
109.10160	9.0
111.04433	3.1
111.07574	1.2
111.08104	13.7
117.07004	11.2
119.08571	15.5
121.06515	4.4
121.10141	19.6
123.01764	1.6
123.08065	6.2
123.11711	2.3
125.09647	8.2
129.07008	3.3
131.04904	2.5
131.08582	13.6
133.06541	1.6
133.10126	12.1
135.08060	3.1
135.11673	11.4
137.09612	2.9
143.08565	2.1
143.82240	1.6
145.06496	4.8
145.10120	21.4
146.36505	1.3
147.06845	1.3
147.08015	3.3
147.11661	11.9
149.09605	25.4
149.13197	3.2
151.11096	1.6
153.05447	1.3
155.08569	5.4
157.10110	2.7
159.11740	8.8
161.13202	4.2
163.11182	29.9
165.12738	5.4
171.11665	3.1
173.09650	11.2
173.13240	3.7
175.11212	2.4
177.12703	3.7
187.11290	2.0
187.14827	2.1
189.11185	4.9
189.12677	1.6
191.10680	5.5
193.12224	2.0
205.12296	1.9
209.11772	5.7
223.13298	10.9
229.19505	2.9
237.11218	7.4
239.17929	4.5
247.20538	4.4
257.19037	10.3
275.20053	64.5
276.20444	2.7
293.21094	100.0
294.21405	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03948	3.7
55.01876	11.3
55.05508	20.3
57.03445	2.7
63.66224	1.3
65.03947	2.0
67.05505	35.7
69.03439	2.2
69.07068	19.2
69.32374	5.2
71.04997	2.8
79.05495	40.1
81.03419	6.2
81.07058	54.7
82.07374	1.3
83.04990	6.7
83.08617	10.5
85.06545	2.2
91.05484	29.0
91.06055	1.5
93.07043	29.3
95.04969	11.8
95.08609	23.5
97.06526	13.9
97.10176	10.5
99.08076	1.6
105.04508	1.5
105.07026	28.8
107.04953	7.1
107.08599	42.4
109.06515	10.9
109.10159	14.2
111.08098	3.3
117.07005	8.9
119.08575	24.1
121.06526	5.5
121.10156	13.6
123.08074	8.2
123.11669	5.7
123.95454	1.1
125.09634	9.2
129.07047	2.5
131.08562	14.8
133.06500	2.1
133.10127	21.8
135.08107	5.4
135.11684	8.4
137.09581	5.6
139.11189	1.6
141.07088	1.3
143.08540	2.6
145.06508	1.6
145.10133	13.6
147.11690	16.2
149.09628	15.7
149.13289	2.7
151.11172	7.2
155.08614	1.4
157.10201	3.4
159.11661	8.9
161.13272	4.3
163.11201	10.5
163.14868	1.6
165.09151	4.6
165.12807	3.9
169.10153	2.8
170.39859	1.2
171.10345	1.4
171.11766	2.2
173.09550	2.1
173.13257	5.5
175.11186	2.5
177.12776	3.3
178.76680	1.1
179.14307	2.7
183.11610	2.0
185.13179	1.5
187.11261	3.3
189.11189	5.3
189.12698	2.0
191.14502	1.4
195.13960	1.5
197.13269	3.7
213.16402	1.5
215.17955	1.6
219.13838	1.9
223.13390	1.5
229.19543	5.4
239.18013	6.4
247.20546	6.3
257.19022	11.4
275.20065	100.0
276.20486	5.2
293.21103	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.75005	1.1
53.03934	2.9
54.42534	1.1
54.94005	1.2
55.01878	9.2
55.05509	22.8
57.03433	3.0
57.07064	2.2
65.03938	2.7
66.04710	1.1
67.05506	52.2
69.03411	2.7
69.07066	29.1
69.54948	3.5
71.04980	5.3
74.50004	1.1
77.02011	1.3
79.05491	39.7
81.03417	5.6
81.07056	100.0
83.04984	7.6
83.08620	14.6
85.06547	2.8
91.05476	35.7
93.07045	37.0
95.04963	25.0
95.08602	33.0
97.06513	6.3
97.10165	4.4
98.23383	2.4
99.08099	2.3
105.04482	1.3
105.07030	41.8
107.04945	8.0
107.07924	2.1
107.08593	28.8
109.06512	22.4
109.10154	22.9
111.08067	4.9
117.07012	10.8
119.06077	2.0
119.07736	2.5
119.08579	39.4
120.08887	1.4
121.06490	4.9
121.10159	17.1
123.08092	12.8
123.11697	8.4
124.61947	1.3
125.06010	1.6
125.09614	3.8
129.07002	2.9
131.08554	14.8
133.09172	2.3
133.10132	32.8
135.08076	8.7
135.11679	7.1
137.09622	9.4
139.11194	1.9
143.08582	2.3
145.10133	15.1
147.07982	1.7
147.11678	15.6
149.09621	11.4
149.13284	4.5
151.11186	11.3
157.10127	3.9
159.11671	11.0
161.09599	2.5
161.13220	4.7
163.11154	9.7
163.14853	2.0
165.12778	3.5
169.10129	1.8
169.12270	1.7
171.11655	3.4
173.13286	7.8
175.11180	3.9
177.12793	3.9
183.11656	2.4
187.11122	1.6
187.14818	1.5
189.11137	2.6
189.12646	1.3
191.14301	1.3
193.12254	2.9
195.13844	1.4
197.13168	1.4
197.85458	1.3
201.12697	2.8
203.14413	1.6
207.13849	2.8
208.13509	1.2
215.14392	1.2
219.13794	2.0
229.19516	4.3
237.14801	4.1
239.17989	3.8
247.20570	5.8
257.18976	9.7
265.21759	2.0
270.10718	1.8
275.20059	83.6
276.20358	3.9
287.01389	1.3
290.54858	1.3
293.21085	52.9
294.21356	3.2
297.26071	1.3
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	Colnelenic acid
Peak:m/z	Relative Intensity
53.03943	5.3
54.41334	2.0
55.01884	9.7
55.05510	60.8
57.03430	10.1
57.07071	2.4
62.28219	1.8
63.17163	2.0
65.03954	2.9
67.05503	75.4
69.03428	7.3
69.07066	35.9
69.07413	1.1
69.67551	7.2
70.81401	1.6
71.04990	14.7
73.72032	1.6
77.03920	2.2
79.05492	100.0
80.06264	2.3
81.03439	10.1
81.07057	66.8
83.04966	13.1
83.08617	35.9
83.91241	1.5
85.06554	4.5
91.05474	54.0
93.07043	78.8
95.04968	35.4
95.08604	54.0
97.06532	14.7
97.10171	25.1
105.07029	46.1
107.04966	5.0
107.08595	71.5
109.06525	13.2
109.10144	24.2
111.08104	7.0
117.07019	8.9
119.08579	36.0
121.06543	4.0
121.10141	36.2
123.08080	7.4
123.11720	5.9
125.09632	24.4
129.07007	3.2
131.08565	15.4
133.06537	1.7
133.10138	27.1
135.08046	6.5
135.11711	6.8
137.09607	29.8
139.11165	8.8
143.08633	2.0
145.10092	15.8
147.11681	17.7
149.09595	15.3
149.13260	2.5
151.11154	4.6
153.09067	2.4
155.10693	3.3
155.74518	1.7
157.10127	4.6
159.11705	8.2
161.09578	2.6
161.13261	9.1
163.11206	6.8
165.12898	2.5
169.10104	2.7
171.10240	3.1
171.11681	4.9
173.13257	4.5
175.11197	2.7
177.12801	3.5
179.14357	3.3
183.11777	3.3
185.13335	2.4
187.11220	2.4
189.11191	14.7
197.13194	2.1
223.13374	5.4
229.19485	3.0
234.07132	2.3
239.17906	3.8
247.20596	4.0
257.19089	7.0
275.20059	65.2
276.20322	3.9
293.21088	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	293.2475
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03949	1.9
54.73671	0.8
55.01888	0.9
55.05258	1.0
55.05511	12.3
57.07074	3.0
65.03934	2.4
67.05504	97.7
68.05837	1.6
69.07069	11.9
71.04993	1.0
72.14632	0.8
77.46056	0.7
79.05488	17.3
81.03386	0.9
81.07056	100.0
82.07384	1.9
83.04971	2.8
83.08619	6.3
85.06537	2.7
90.38239	0.8
91.05486	9.0
93.07043	14.9
95.04968	6.2
95.08605	82.4
95.47596	0.8
96.08937	1.5
97.06518	2.3
97.10159	2.4
99.08103	2.2
105.07037	7.1
107.04932	1.6
107.08582	11.9
107.52271	0.8
109.06528	1.4
109.10155	32.0
111.08082	2.1
117.07016	2.4
119.08563	4.4
121.10150	9.7
123.08086	3.8
123.11716	12.6
125.09657	1.2
131.08556	8.4
133.10138	4.7
135.08015	1.6
135.11691	8.2
137.09567	1.4
137.13249	8.1
145.10095	5.6
147.11707	3.5
149.09613	3.5
149.13271	3.2
151.11157	1.5
151.14813	2.5
159.11678	6.7
161.13239	3.6
163.11183	3.5
163.14838	2.8
165.12729	1.7
173.13248	5.8
175.14893	0.8
177.12746	2.6
177.16408	1.9
179.14336	1.0
187.14839	3.1
191.10689	0.8
191.14323	1.5
201.16286	1.0
205.15927	1.1
209.11650	0.9
209.15327	1.0
215.68681	0.8
219.68289	0.8
223.13316	1.2
237.11201	3.1
237.18393	0.9
243.21022	3.8
261.22015	5.2
275.20053	4.6
293.21060	8.1
293.24713	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	293.284
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
51.19736	1.1
53.03942	1.3
55.01866	2.6
55.05257	2.0
55.05511	34.6
57.03434	1.7
57.06816	1.5
57.07077	20.9
59.05003	16.6
65.03927	1.3
67.05504	31.7
68.05802	1.4
69.03408	4.9
69.07069	61.9
69.28855	2.1
69.29254	5.1
71.04996	4.0
71.08635	7.4
79.05488	17.2
81.07059	99.2
82.07377	2.1
83.04970	1.8
83.08624	36.8
85.02914	1.3
85.06548	12.6
85.10166	3.7
87.04458	4.9
91.05462	7.5
93.07048	26.7
95.04956	3.9
95.08607	100.0
96.08933	1.8
97.06546	6.9
97.10174	22.2
98.23544	2.7
98.97596	2.7
99.04423	1.2
99.08096	9.4
102.34187	1.3
105.07024	4.9
107.04864	1.2
107.08592	33.4
109.06510	2.7
109.10158	58.2
111.08072	11.9
111.11713	12.4
112.20514	1.2
113.09612	2.2
116.98656	1.3
117.07029	1.3
119.08582	2.9
121.10154	18.0
123.11708	42.3
125.09637	7.5
125.13274	4.7
133.10136	1.8
135.08018	1.5
135.11696	9.0
137.12233	2.4
137.13257	36.0
138.13535	1.4
139.11157	2.2
143.08549	1.7
147.11647	3.3
149.06042	1.6
149.09502	1.2
149.13248	25.8
151.14862	7.0
153.12778	3.8
163.14836	8.9
165.16428	4.6
167.14320	13.9
177.16377	3.3
179.17941	2.5
180.10133	1.4
191.17969	2.1
193.19524	2.9
205.19519	1.7
219.21104	2.9
249.25626	2.6
275.20074	5.8
275.27319	8.0
293.03790	1.1
293.17465	1.9
293.20697	3.2
293.28372	57.7
294.28696	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.2
55.01865	3.0
55.05264	2.0
55.05510	27.4
56.12228	1.0
57.06818	1.7
57.07071	21.2
59.04993	1.5
64.87754	0.9
65.03944	1.3
67.05167	2.0
67.05505	32.2
69.03423	3.1
69.07067	55.6
69.95108	1.0
71.04977	2.6
71.08625	10.0
76.09280	0.9
77.03896	0.9
79.05042	1.1
79.05493	15.2
81.03381	1.1
81.07053	94.5
82.07395	1.3
83.08121	2.2
83.08615	37.4
85.02869	1.0
85.06543	9.9
85.10165	3.2
87.04456	4.8
91.05482	6.7
93.07042	26.4
95.04962	3.5
95.08604	100.0
96.08923	1.3
97.06534	3.7
97.10168	18.0
99.08081	8.9
101.85629	1.1
105.07030	5.2
106.06592	1.4
107.04960	2.3
107.08590	32.2
109.06512	1.2
109.10149	49.5
110.10461	1.0
111.08070	10.3
111.11726	11.6
113.09644	1.8
117.07046	1.5
119.08576	2.2
121.10136	14.6
123.11707	42.0
125.09621	3.7
125.13268	5.1
131.04903	1.8
131.08563	3.1
133.09183	1.0
133.10129	1.9
135.11694	10.9
137.13246	36.8
138.13553	1.4
139.11147	2.1
145.10077	1.3
149.02393	1.0
149.13249	25.0
151.03873	1.0
151.14821	5.8
153.12762	4.4
163.14798	9.4
164.07056	1.7
165.16406	3.9
166.08704	2.1
167.14302	13.5
174.09087	1.2
177.16360	2.4
179.17979	2.9
191.17892	2.1
192.10223	1.2
193.19543	2.3
201.12764	1.0
205.19588	1.1
216.95163	0.9
219.21169	2.3
220.09628	1.6
237.22124	1.4
249.25706	2.2
252.12236	11.6
275.20056	4.1
275.27298	8.0
293.17361	1.6
293.21091	2.1
293.28372	51.7
294.28818	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	293.2839
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
51.63367	0.9
53.03931	1.7
55.01865	2.9
55.05508	28.1
57.03435	1.9
57.06818	1.4
57.07073	17.5
59.04977	1.2
61.70272	0.8
62.58009	0.8
65.03905	1.6
67.05501	38.1
67.05865	1.8
69.03408	1.8
69.07063	51.3
69.21027	5.0
70.32821	0.9
71.04980	4.0
71.08631	6.6
79.05039	1.4
79.05486	21.1
81.03393	2.8
81.07050	100.0
82.07367	1.3
83.04955	2.7
83.08611	38.0
84.30675	0.9
85.02882	1.8
85.06539	11.3
85.10161	2.4
85.24592	0.9
88.21552	0.9
91.05475	14.5
93.07036	34.6
95.04961	5.0
95.08598	84.0
95.66470	0.9
96.08934	2.3
97.06522	5.8
97.10162	15.9
99.08080	8.1
100.11240	2.6
101.06007	5.0
103.05467	1.9
105.04547	1.3
105.07024	13.1
107.04960	2.2
107.08585	39.5
109.06516	5.2
109.10146	51.1
111.08088	9.4
111.11705	10.8
113.09649	2.4
117.07016	2.6
119.08549	7.4
121.06503	1.6
121.10129	21.1
123.08034	3.3
123.11698	38.6
125.09593	7.0
125.13245	4.1
127.11151	1.1
129.06995	0.9
131.04884	3.1
131.08562	4.2
133.10117	7.7
135.08009	1.1
135.11681	11.4
137.09592	2.4
137.13243	28.1
137.14308	1.8
139.11163	1.6
139.14844	1.1
141.12685	1.0
143.08493	1.0
145.10106	4.2
147.11664	5.4
149.02213	1.0
149.09576	3.7
149.13242	25.1
151.11162	1.2
151.14761	6.1
153.12759	2.8
159.11674	2.9
161.13240	1.2
163.11139	3.6
163.14815	8.1
165.16354	4.9
165.22966	0.9
167.14311	13.4
169.10075	1.0
173.13174	1.8
177.16367	2.3
179.17964	2.2
183.17447	1.7
191.17920	1.9
193.19472	2.2
205.19470	2.2
219.21024	1.9
229.19426	1.5
239.18034	1.9
247.20538	2.0
249.25659	1.9
257.19022	4.3
275.20041	24.2
275.27304	7.0
276.20309	1.7
293.07837	1.9
293.20972	9.0
293.28333	43.5
294.28668	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	294.17
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.6
57.03440	3.0
58.81017	0.4
59.04997	1.3
61.88744	0.3
69.03427	7.7
69.07069	5.4
70.07988	0.9
70.08327	0.6
73.02905	1.9
73.06550	3.4
78.54451	0.4
81.03405	1.0
81.07053	0.4
82.42319	0.4
85.02898	6.9
87.04462	3.7
91.05470	0.7
97.02888	5.3
97.06526	0.7
97.82298	0.3
99.04425	0.4
103.03925	0.4
109.02905	0.4
115.03925	4.6
118.06531	1.3
119.07347	0.7
120.08097	100.0
121.08433	1.6
127.03886	1.1
130.06499	0.4
133.04980	4.3
145.04919	1.8
146.05984	1.2
148.07567	1.7
151.03865	0.8
163.03905	0.5
163.47528	0.4
164.07062	1.7
178.08574	0.8
184.57579	0.5
199.63255	0.4
213.23541	0.4
224.12601	0.4
234.14871	82.4
235.15224	3.2
236.75748	0.5
250.10648	2.0
262.14407	2.6
294.09970	4.3
294.16977	64.6
295.05850	0.5
295.10162	0.5
295.17401	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	294.1701
Annotation	Sieboldine A
Peak:m/z	Relative Intensity
55.01871	1.3
55.05499	0.8
57.03430	0.3
59.05010	0.3
69.03420	0.5
69.07067	4.7
71.27824	0.3
73.02534	0.5
73.02916	4.5
73.06565	2.0
85.02914	3.1
87.04457	1.1
97.02905	0.4
97.06526	0.3
110.06052	0.7
115.03955	0.4
118.06534	0.7
119.07315	0.3
120.08106	75.2
121.08456	1.7
131.03383	0.3
133.04970	0.4
138.05508	0.4
146.06056	0.6
146.09656	0.3
148.07587	0.4
151.85208	0.3
158.42258	0.2
164.07095	3.1
178.08626	0.7
218.08273	0.3
226.10643	0.4
234.14885	100.0
235.15218	4.0
250.10704	1.7
262.10706	0.3
262.14359	1.6
294.10025	4.1
294.16995	62.9
295.17328	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	294.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.0
55.05258	1.7
55.05512	23.3
57.03439	4.1
59.05002	100.0
67.05496	6.0
69.03422	2.2
69.07062	4.4
71.04999	7.4
74.29728	0.8
79.05499	6.3
81.03405	1.6
81.07063	5.8
83.04981	1.9
83.08616	10.8
85.02898	3.5
85.06517	1.5
87.04469	37.7
89.06041	1.4
93.07024	2.7
95.08633	2.7
97.10175	17.1
98.22626	2.0
99.04469	4.5
105.07042	1.0
107.08599	5.4
109.10149	2.7
117.05482	1.5
118.73621	0.9
121.10156	2.0
124.17003	0.8
125.09637	10.8
145.10101	1.8
149.13188	1.0
153.12785	1.2
155.10672	1.4
163.11241	2.2
173.11691	5.1
221.20705	0.9
294.28534	1.2
295.15298	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	294.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17628	2.6
55.01867	6.6
55.05508	16.9
57.03432	7.1
60.04524	3.4
67.05505	38.4
69.03419	11.8
69.07050	13.6
71.01344	2.6
71.04985	7.5
73.02911	6.4
79.05490	32.8
81.03427	9.1
81.07050	25.8
83.04971	10.8
83.08599	7.3
85.02908	27.9
85.06541	16.6
87.04468	4.1
91.05481	21.3
93.07045	45.9
94.80397	3.3
95.04984	14.5
95.08624	13.9
97.02886	21.9
97.06519	8.6
97.10112	2.8
98.23431	7.1
99.04454	4.3
100.11235	9.1
105.07027	9.9
107.04959	9.8
107.08582	22.0
109.06519	4.1
109.10157	20.1
111.04440	17.2
115.03918	4.6
116.13435	2.8
117.07031	11.7
119.08562	14.7
120.08109	3.3
121.10138	46.1
123.08060	5.0
125.05981	4.7
131.08580	17.5
133.10136	10.6
135.08095	4.4
135.11670	18.4
137.09607	6.0
139.11179	7.5
145.10123	19.2
149.02347	3.0
149.09592	14.4
155.10684	7.5
163.11165	20.3
164.07016	13.9
167.10670	16.6
173.09653	9.7
173.11719	22.7
178.08685	2.9
181.12245	12.6
185.11650	5.8
187.13361	4.1
191.10646	31.5
199.13333	14.6
208.13255	3.2
209.11731	100.0
217.14337	3.9
226.14212	3.6
227.12762	80.2
234.14977	2.9
241.14392	9.1
243.95598	2.9
244.15442	8.3
250.10779	8.3
252.08595	7.9
262.16486	4.2
294.09595	14.1
294.13120	5.2
294.16708	3.4
294.21271	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	294.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.01873	7.0
55.05513	18.4
56.05014	3.2
57.03433	11.3
57.07087	2.9
60.04535	4.2
67.05502	45.0
69.03434	14.0
69.07065	17.3
71.01370	3.2
71.04994	12.5
73.02902	6.5
73.06549	3.4
76.62685	2.4
79.05490	37.7
81.03410	13.4
81.07064	29.6
83.04965	13.6
85.02889	28.7
85.06561	14.5
87.04469	22.4
91.05481	25.0
92.05766	3.1
93.07043	46.7
95.04973	16.9
95.08620	20.3
96.04534	3.5
97.02895	26.9
97.06547	8.8
97.10201	4.8
98.23436	7.0
99.04431	4.0
105.07020	12.6
106.06550	10.4
107.04963	11.4
107.08585	25.2
109.06524	6.0
109.10161	22.1
111.04449	17.7
111.08097	2.8
115.03947	10.9
117.05734	5.3
117.07002	6.2
118.06557	7.4
119.08581	16.2
120.08164	2.9
121.06503	7.5
121.10156	44.6
123.04431	3.5
123.08065	4.9
123.11734	4.3
124.45659	2.6
125.06000	5.9
125.09636	5.2
126.09172	4.1
131.04993	2.9
131.08569	17.9
133.10123	4.9
134.06021	4.7
135.08145	3.7
135.11699	22.1
137.09660	6.9
139.11174	10.6
144.06718	2.4
144.08131	3.3
145.06454	2.7
145.10117	23.8
146.06009	19.4
147.08070	4.6
148.07571	6.7
149.02347	7.7
149.09622	16.9
150.02684	7.0
154.12219	4.6
155.10709	8.6
163.03986	4.5
163.11194	19.0
164.07085	18.2
166.08675	6.1
167.10631	13.4
172.13428	2.9
173.09636	10.6
173.11751	26.2
177.22618	2.6
178.08693	16.0
180.10271	7.9
181.12215	8.6
185.11781	7.4
187.13284	4.7
188.07037	3.7
190.08646	3.3
191.10690	30.5
199.13278	10.5
202.08633	3.2
208.13470	2.8
209.11732	100.0
209.13715	5.0
210.12074	4.7
216.06599	5.4
218.08128	9.5
220.09778	7.4
224.09116	2.9
227.12773	96.6
228.13306	3.1
234.07649	7.7
241.14468	5.4
244.15497	9.8
248.09270	8.2
250.10721	59.6
252.12276	35.7
259.15491	3.1
263.77487	2.6
276.08487	6.6
294.09705	57.1
294.13412	9.4
294.16638	21.1
294.20190	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	295.1026
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03941	2.0
55.01873	2.7
56.96581	0.9
57.03435	26.0
59.04992	5.0
61.02923	3.7
67.05522	0.6
69.03429	100.0
70.03765	1.2
71.01360	2.7
71.04992	4.1
73.02911	6.9
75.04472	1.9
77.52186	0.6
79.05511	0.9
81.03417	11.6
83.01336	0.8
83.04998	2.1
84.08163	0.9
85.02904	65.5
86.03258	0.9
86.09682	0.9
86.16285	0.7
87.04465	54.8
91.03938	1.3
91.05473	1.3
95.04969	1.6
97.02895	58.2
97.06538	1.6
98.97591	2.8
99.04453	12.4
103.03941	6.7
107.04961	1.1
109.02887	4.1
111.04471	2.1
113.02346	1.2
114.10321	0.8
115.03931	67.7
115.07524	0.8
116.04301	0.8
116.98611	1.0
117.05486	6.2
119.04953	0.8
120.08109	1.2
121.02882	0.7
123.04394	3.6
125.02425	1.6
127.03915	11.0
133.04964	69.9
134.05357	1.0
135.04385	1.2
137.06042	0.8
139.03944	1.2
143.03410	1.5
145.04961	19.5
150.07773	0.8
151.03928	2.4
157.05028	1.6
161.04456	2.2
163.03926	1.1
163.06120	2.0
165.05510	1.3
169.04997	5.1
181.04997	0.8
187.06024	1.9
193.04967	1.2
205.07043	1.4
211.06093	1.2
219.02071	0.9
223.06140	0.9
229.07173	2.4
241.07091	3.8
259.08191	3.7
277.09189	6.1
277.11462	0.7
295.05978	0.8
295.10162	0.9
295.12991	2.3
295.16272	1.2
296.15225	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
50.34937	1.1
51.68975	1.2
53.03938	1.7
54.67565	1.1
55.01868	4.0
55.05519	1.9
57.03436	59.0
59.04994	2.9
61.02926	16.0
62.84627	1.1
64.24920	1.1
69.03429	81.4
69.21899	5.3
70.03772	1.2
70.06564	1.4
71.01362	9.2
71.04994	3.3
72.08170	1.6
73.02918	100.0
74.61891	1.3
78.71870	1.1
81.03419	8.4
81.07069	1.7
83.05009	1.4
85.02903	84.5
86.06065	48.2
87.04472	24.3
91.03968	2.6
91.05480	2.5
97.02893	83.1
99.04463	6.6
99.08113	2.4
103.03931	5.2
108.08126	4.2
109.02900	6.2
111.04460	1.7
115.03930	83.2
117.09123	1.8
119.05019	1.6
120.08117	2.8
121.06569	1.3
123.04460	2.6
127.03917	19.3
131.20889	1.2
133.04965	39.2
133.05923	2.4
135.04471	1.8
136.07625	3.3
138.09157	2.1
139.03905	1.9
145.04959	26.2
146.06042	2.3
150.07747	17.7
151.03928	2.0
154.20807	1.2
163.03894	1.7
163.06003	5.3
169.05003	2.6
169.56239	1.2
177.07442	1.7
178.08615	10.1
187.06042	1.5
193.04958	2.4
199.06117	1.8
210.11230	11.3
221.06013	3.6
221.09933	1.2
223.06009	3.7
241.07132	5.0
247.07980	2.0
249.05367	2.3
259.08023	3.4
265.09216	1.5
277.09192	3.5
290.55167	1.4
295.06122	4.8
295.10092	14.4
295.13339	2.4
295.16513	19.6
296.11417	1.9
296.14819	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	295.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01863	2.7
55.05502	1.1
57.03434	25.7
59.04991	5.0
61.02920	3.6
67.05497	2.1
69.03427	100.0
69.07050	1.5
69.55074	1.3
69.55463	1.1
69.94988	0.5
70.03762	0.8
71.01339	2.4
71.04995	1.9
71.93407	0.4
72.08132	0.7
73.02917	5.7
75.04475	1.7
79.05486	2.0
81.02956	0.9
81.03413	13.5
81.07051	1.7
83.01323	0.6
83.04971	3.0
85.02902	68.9
86.03218	1.1
86.06084	0.9
87.04463	55.0
87.08124	0.5
91.03953	1.3
91.05470	2.7
93.07044	2.9
95.04959	3.5
97.02889	66.5
98.03251	1.2
99.04453	12.1
100.06267	0.5
101.02369	1.2
103.03935	8.5
105.07045	2.5
107.04930	1.3
107.08573	1.1
109.02888	5.3
109.06503	0.8
111.04442	3.1
113.02368	1.0
115.03926	59.0
116.04254	0.9
117.05489	2.0
119.04948	0.8
121.02835	0.8
121.06500	0.5
121.10105	0.5
123.04447	3.4
123.11684	0.8
125.02317	1.1
125.06030	0.6
127.03033	0.8
127.03912	13.2
129.06932	0.6
131.04897	0.5
131.08528	0.6
133.04962	62.2
133.10147	1.4
134.05299	1.1
135.04370	1.5
136.07568	3.5
137.05916	0.7
139.03885	1.8
141.05493	0.8
143.03401	0.8
145.04955	21.1
146.06020	1.5
147.04408	0.9
151.03885	2.4
151.11165	0.6
153.05396	0.6
157.04945	2.2
161.04460	2.8
161.05711	0.5
163.03864	0.7
163.05995	1.3
165.05493	1.4
169.04968	6.0
173.04420	0.5
175.05974	0.8
177.05461	1.0
178.08656	3.3
179.06981	0.6
181.04950	1.1
187.06042	1.7
193.04951	1.3
199.05910	1.4
205.04962	0.6
205.06995	1.0
210.11206	0.8
211.05998	1.2
221.05911	0.9
223.05920	1.1
229.07037	2.0
241.07031	4.3
259.08075	3.1
277.09113	7.1
277.14111	1.1
295.05801	0.6
295.10287	1.4
295.15720	1.2
296.11481	1.0
296.14847	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24981	0.4
53.03950	1.6
55.01874	4.2
55.05512	1.5
57.03435	31.6
59.04999	4.9
61.02932	5.1
65.43150	0.4
67.05504	1.2
69.03427	100.0
69.62910	0.9
69.63251	1.5
70.03753	1.1
70.06593	1.0
71.01348	3.9
71.04989	3.0
72.08157	7.8
73.02914	16.8
75.04467	1.6
77.03917	0.7
79.05502	0.9
81.03417	13.3
81.03895	0.7
81.07066	0.8
81.11298	0.5
83.01341	1.3
83.04983	2.6
85.02903	71.0
86.03231	1.1
87.04465	43.9
91.03943	1.5
91.05491	2.0
93.07032	0.6
95.01256	0.5
95.04969	3.0
97.02888	65.6
97.10176	1.7
98.03233	1.0
99.04456	10.6
101.02374	1.5
103.03941	8.9
103.05460	0.7
105.07022	0.7
107.04935	1.1
109.02882	5.1
109.06516	0.7
111.04427	2.7
111.85741	0.5
113.02369	1.3
115.03928	64.1
115.11209	0.9
116.04271	0.6
117.05493	2.5
119.04976	0.6
121.06498	2.0
123.04411	3.6
124.07648	0.8
125.02396	0.9
127.03910	13.7
128.06143	0.8
129.07028	0.6
133.04964	62.7
134.05269	0.9
135.04463	1.2
137.05928	0.9
139.03889	1.5
145.04956	21.0
147.04370	0.7
149.05923	0.9
150.07755	4.8
151.03896	6.3
152.07054	0.8
153.05527	0.7
157.04918	1.3
161.04506	2.4
163.03847	1.0
163.06012	1.6
164.07050	2.1
165.05504	3.0
165.07411	1.2
169.04959	6.6
173.04478	0.6
177.05408	0.6
179.07022	5.9
181.04811	1.2
182.08186	1.0
187.06128	1.2
193.04945	0.6
197.07988	0.6
199.05946	1.3
211.05954	1.4
214.49252	0.5
221.05902	0.7
221.12907	1.0
223.05904	1.6
229.06992	2.1
241.07072	4.3
259.08118	3.6
262.38571	0.6
263.09128	0.6
263.14008	0.8
277.09174	6.5
295.05798	1.0
295.10291	2.8
295.16284	0.4
296.14853	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	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03939	1.8
55.01865	3.2
55.05508	2.4
57.03435	23.6
59.05000	6.3
59.47429	0.5
61.02924	3.2
63.42710	0.6
65.03931	0.6
67.05497	2.5
69.03429	100.0
69.07054	1.8
70.03761	1.0
71.01354	3.0
71.05004	2.5
72.08163	5.5
73.02914	8.6
75.04482	1.5
79.05492	4.5
81.03418	16.1
81.07070	1.1
83.01343	0.8
83.04979	2.8
85.02905	67.4
86.03248	1.4
87.04467	46.2
88.04765	0.7
91.03986	1.7
91.05484	1.9
92.89922	0.6
93.07047	1.0
95.01317	0.6
95.04978	2.7
97.02892	63.9
97.06551	2.7
98.03242	0.8
99.04453	13.3
101.02381	1.6
103.03940	8.1
107.04950	1.1
109.02891	5.5
111.04456	3.2
115.03929	61.4
115.07545	0.9
116.04341	0.7
117.05450	3.1
118.06583	1.4
119.04925	1.1
120.08109	1.3
121.02885	0.9
123.04449	4.2
125.02399	1.3
127.03908	13.4
129.05524	1.2
131.04872	0.8
133.04965	62.3
135.04398	3.3
139.03905	1.9
143.03394	0.8
145.04955	23.4
146.05284	0.6
146.06044	6.1
147.04379	1.3
149.06071	0.6
151.03889	3.9
151.07101	1.1
153.05463	0.9
157.04985	2.1
161.04510	2.7
163.03879	5.6
163.06049	1.5
164.07068	4.6
165.05490	1.6
165.07452	1.5
166.08717	0.7
169.04955	6.7
177.05490	1.4
178.08641	10.7
179.07179	0.7
181.04990	2.8
187.06033	1.8
193.05016	1.5
195.06525	1.0
196.09674	12.8
199.06024	1.4
205.07083	1.3
211.06094	1.0
221.06073	1.2
223.06041	1.8
229.07152	2.3
241.07097	5.8
249.05457	1.1
251.11147	1.3
259.08060	3.5
277.09116	7.8
295.06067	3.9
295.10190	5.5
295.17197	1.1
296.14917	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34233	1.4
53.03941	2.1
55.01868	2.7
55.05506	4.1
57.03438	28.9
59.04989	5.5
61.02932	7.7
69.03431	100.0
69.37978	5.2
69.38383	2.6
71.04997	3.6
73.02923	27.7
75.04486	2.0
81.03411	13.7
81.07069	3.2
83.04990	5.0
83.08612	1.8
85.02405	3.5
85.02907	64.7
85.03419	3.4
87.04471	42.3
91.05479	2.8
93.07050	2.1
95.04970	2.8
95.08611	1.7
97.02895	67.7
98.23426	2.8
99.04465	13.5
100.11261	2.3
103.03927	8.9
109.02889	4.9
109.06525	1.8
110.10603	1.4
110.71985	1.5
111.04447	4.7
115.03931	60.9
117.05514	2.3
121.06490	1.9
123.04446	3.8
127.03915	15.9
133.04970	58.2
135.04498	2.3
139.03902	2.5
143.03369	2.9
145.04962	18.3
151.03926	3.1
153.05418	1.7
157.05048	2.0
158.93587	1.5
161.04492	2.5
168.13829	2.8
169.04988	5.8
187.05956	2.7
193.83409	1.5
229.07024	1.9
241.07076	7.0
259.07962	3.2
277.09232	5.9
295.05994	1.8
295.09805	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	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03958	0.9
55.01873	3.4
55.05496	0.7
57.03436	26.6
59.04990	4.6
61.02926	2.7
63.06487	0.8
69.03427	100.0
69.48468	2.9
69.48812	0.7
70.03741	1.5
71.01353	2.2
71.04983	1.6
72.08167	0.8
73.02911	4.9
75.04485	2.1
75.45729	0.6
79.05482	1.6
81.03413	12.0
83.01321	0.8
83.04984	2.3
85.02901	69.6
86.03253	0.7
86.06054	0.8
87.04464	56.1
87.41010	0.7
91.03907	0.9
91.05466	1.0
93.40210	0.9
95.04962	1.8
97.02888	62.8
98.23381	1.2
99.04456	12.0
101.02408	0.8
102.54018	0.6
103.03947	8.2
107.04921	1.2
109.02863	4.7
111.04449	2.9
113.02370	0.9
115.03925	67.1
116.04271	1.6
117.05496	2.3
123.04444	3.1
125.02374	1.1
127.03898	12.6
127.04723	0.8
133.04961	66.5
134.05345	1.3
135.04424	1.9
139.03900	1.7
141.05437	0.8
143.03444	1.3
145.04950	20.5
151.03915	2.8
157.04980	1.6
161.04497	2.7
161.76405	0.7
163.03925	1.4
163.06044	1.7
165.05481	0.9
169.04935	6.0
175.06056	1.0
175.08788	0.7
181.05011	1.5
187.05983	1.4
193.05023	1.2
194.73573	0.6
199.06032	1.3
205.07088	1.1
211.05995	1.1
223.06024	1.4
229.07123	1.8
241.07042	5.5
244.10388	0.7
259.08197	3.0
260.93484	0.7
277.09216	7.1
295.10324	1.5
295.16757	1.1
296.14944	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	295.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19497	1.4
53.03934	2.2
55.01867	5.5
55.05510	2.6
55.43177	1.5
57.03438	32.5
59.04995	4.9
61.02914	9.1
64.39089	1.8
66.26904	1.6
67.05495	1.9
69.03429	100.0
70.24774	3.7
71.01344	6.1
71.04986	2.3
71.40488	1.7
73.02917	42.5
79.05457	2.6
81.03426	16.6
81.07033	2.6
85.02903	81.6
85.03420	3.9
87.04472	38.5
90.11477	1.7
91.03931	2.3
91.05488	2.1
93.07009	1.9
95.04958	3.3
97.02892	73.6
99.04457	15.2
103.03954	8.3
109.02858	7.8
111.04421	5.4
115.03928	68.0
116.04315	2.0
117.05464	2.5
120.08128	2.9
123.04433	5.5
127.03921	20.1
131.04863	2.3
133.04961	55.1
139.03911	3.1
145.04947	30.2
151.03932	4.6
161.04430	3.3
163.03909	2.4
163.06024	2.3
163.07381	1.8
164.07066	7.5
165.05482	3.7
169.04912	6.1
175.06038	2.2
183.19431	1.8
187.06035	2.4
193.04965	2.3
205.07118	1.6
220.41096	1.8
221.06017	2.1
223.06102	2.0
231.66396	1.8
235.15080	1.8
236.09148	27.8
237.09808	1.8
241.07047	7.4
254.10034	2.6
259.08124	4.7
277.09161	8.3
295.05981	3.7
295.09857	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	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03932	2.5
55.01855	3.6
57.03431	21.1
59.04996	4.2
61.02914	4.5
67.05502	1.7
69.03426	100.0
69.76443	2.7
69.76809	3.4
71.01350	4.0
71.05021	3.9
73.02919	8.6
75.04487	1.8
81.03423	17.9
81.32769	1.4
83.04978	3.2
85.02900	66.8
87.04462	36.1
87.35075	1.7
95.04953	1.9
97.02893	64.0
98.60649	1.5
99.04446	12.0
103.03918	10.1
109.02867	6.1
111.04419	4.5
111.05191	1.3
111.42931	1.6
115.03931	56.6
117.05516	2.6
123.04443	5.1
127.03917	13.5
133.04962	55.7
134.42184	1.6
135.04430	2.9
139.03873	2.2
145.04939	29.5
151.03889	3.1
157.05009	2.4
157.06635	1.6
161.04475	4.0
163.03912	3.2
163.06010	2.4
164.07098	2.1
165.05557	2.4
169.04932	8.3
174.08360	1.8
179.07150	2.0
187.05954	1.5
205.07053	2.3
211.05916	1.7
223.05991	2.5
226.07039	2.4
229.07150	2.7
236.09146	9.9
241.07094	5.6
259.08109	6.0
277.09219	8.8
295.10187	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	295.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.3
55.05496	3.4
57.03436	25.7
59.04995	3.7
61.02919	3.2
64.59629	1.4
67.05492	2.8
69.03427	100.0
69.07050	1.5
71.01392	1.5
71.04980	4.4
73.02908	9.2
77.03905	2.0
78.57407	1.6
79.05499	3.6
81.03410	17.3
81.07048	4.4
83.04964	3.5
85.02406	3.4
85.02904	55.9
87.04465	38.9
91.05466	4.8
95.04980	3.9
95.08598	4.9
97.02888	61.5
99.04453	16.8
103.03951	9.9
103.05468	28.7
105.07034	15.1
107.04958	7.7
107.08553	1.6
109.02888	6.2
109.06475	1.5
111.04392	4.1
113.02348	1.7
115.03928	58.2
117.05460	2.1
119.04911	2.2
121.06504	11.4
123.04424	6.1
123.08074	2.3
123.11687	3.5
127.03925	15.7
131.04921	28.2
133.04955	56.4
133.06487	45.6
134.06816	1.5
135.04350	2.0
135.08058	22.0
137.05963	11.4
137.13251	2.8
139.03857	2.7
145.04951	25.1
145.06480	13.2
147.08037	3.6
149.05934	2.6
151.03871	4.2
151.07533	16.0
156.31778	1.5
157.06474	3.4
161.04396	2.8
163.03844	1.8
163.07535	76.8
164.06934	2.1
165.05432	1.8
169.04912	8.2
171.07962	1.6
175.06039	2.4
175.07507	4.7
187.05997	3.1
187.07509	2.6
199.05859	2.5
205.07373	1.6
207.07993	2.8
211.06058	2.5
217.10168	1.7
220.08809	2.9
223.05870	1.9
229.07030	2.8
235.11179	5.6
236.09184	9.2
241.07088	6.7
259.08081	6.3
263.10614	6.4
277.09225	10.4
295.10004	3.6
295.13205	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	295.1025
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.01872	7.3
55.05499	5.1
57.03436	27.7
59.04992	5.8
59.37840	2.2
61.02922	8.1
67.05500	5.8
69.03428	100.0
69.03806	4.9
69.07078	3.9
69.62508	9.8
71.01355	3.2
71.04985	4.5
73.02915	21.2
79.05488	3.7
81.03413	15.1
81.07047	7.9
83.04987	3.3
85.02904	89.0
85.03420	4.9
87.04464	37.7
91.05473	6.1
93.07052	3.6
95.04974	6.3
95.08598	5.2
97.02892	69.3
98.23449	4.6
98.97614	2.9
99.04456	16.9
103.03946	10.8
105.07024	5.8
107.04917	3.3
107.08582	3.4
109.02895	6.9
109.10161	3.8
111.04501	4.6
115.03932	62.5
119.08566	2.9
121.10110	2.6
123.04417	4.0
125.02354	2.7
125.09706	2.9
127.03894	18.6
131.08594	2.7
133.04965	69.3
133.06512	3.5
135.04407	3.9
138.18353	2.8
139.03961	3.0
145.04964	28.5
151.03931	4.0
155.75224	2.4
163.03912	10.7
163.06104	2.8
165.54999	2.7
169.04944	7.2
178.08713	2.5
212.56082	2.4
241.07117	2.8
259.08102	5.4
277.09158	9.7
295.10242	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	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03952	2.2
55.01860	3.9
55.05499	4.9
57.03429	23.7
57.07061	1.7
59.04977	2.9
60.61024	1.4
61.02919	6.1
66.82689	1.7
67.05521	8.3
69.03427	100.0
69.07063	3.9
69.84749	4.3
70.07401	1.6
71.01346	3.9
71.04982	5.4
73.02914	24.7
75.04465	2.1
78.17976	1.7
79.05490	4.0
79.25858	1.6
81.03409	16.6
81.07054	14.2
83.04966	4.5
83.08628	4.7
85.02904	74.0
85.06545	3.1
86.27904	1.7
87.04466	49.7
91.05463	4.3
93.07044	5.4
94.07410	2.3
95.04958	3.9
95.08607	12.1
96.08922	3.3
97.02887	71.0
97.06520	2.8
97.10130	1.7
98.22701	2.9
99.04448	15.1
99.08064	1.8
103.03938	10.6
104.98486	1.5
105.07060	3.0
107.04964	1.7
107.08589	6.0
109.02870	5.8
109.10160	6.6
110.10506	2.7
111.04443	4.3
113.02409	2.3
113.09645	1.9
115.03925	65.5
117.05499	3.6
121.06505	2.3
121.10152	4.0
123.04383	4.3
123.11721	5.8
125.09643	2.2
127.03905	14.8
133.04958	70.0
133.10095	2.2
134.63696	1.9
135.04388	2.2
135.11685	2.2
137.05966	1.6
137.13284	1.7
139.03825	2.3
145.04959	33.3
147.11710	1.6
149.02441	1.7
151.03902	4.0
157.04958	2.5
161.04420	3.4
169.04985	7.5
193.05009	2.6
229.07071	2.9
241.07106	3.8
253.12668	3.7
259.08170	4.6
277.09171	10.0
277.21393	2.5
294.28723	4.8
295.09735	7.1
295.15173	65.3
295.28979	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03934	1.8
55.01868	2.6
55.05511	2.9
57.03441	31.9
57.03725	1.5
59.04995	3.0
61.02922	5.8
64.48595	1.4
67.05489	1.6
69.03432	100.0
69.37933	2.9
69.38335	4.4
71.01355	3.6
71.05001	1.9
73.02917	29.4
75.04489	1.6
76.03674	1.4
79.05525	1.7
81.03418	14.1
81.07073	2.7
83.05006	1.9
85.02907	65.6
86.33556	1.6
87.04468	39.8
91.05451	2.8
95.04947	2.9
95.08607	2.0
97.02895	64.8
98.03236	2.2
99.04446	10.9
103.03957	9.7
103.77853	1.5
107.08604	1.8
109.02874	5.5
111.04433	1.4
113.00443	1.4
115.03930	60.9
117.05546	2.4
123.04423	3.9
127.03930	13.4
133.03951	2.5
133.04964	50.1
135.04381	2.1
139.03883	1.7
145.04947	22.3
151.03912	3.5
157.05069	1.6
161.04469	2.6
163.03955	4.2
163.06032	1.9
165.05338	1.7
168.13811	3.1
169.04971	6.4
199.05994	1.8
211.05983	2.0
221.05980	2.2
223.05917	1.7
225.09477	2.4
229.07039	2.2
241.07100	5.0
259.08145	4.6
277.09235	6.5
290.32999	1.3
295.06033	2.6
295.09897	3.3
295.17874	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01868	2.0
55.05533	0.5
57.03437	7.3
57.04546	0.7
59.05007	1.0
61.02926	9.6
66.19792	0.4
69.03430	22.3
69.07066	13.5
71.01359	1.0
71.05011	2.2
71.44772	0.6
72.08153	1.1
73.02914	4.7
73.06565	1.1
81.03416	6.9
81.07049	0.8
83.01342	0.5
85.02905	100.0
86.03240	0.8
86.06061	5.2
86.09688	0.5
87.04475	6.8
87.08101	14.4
91.03951	5.2
91.05492	0.9
94.04047	2.0
97.02893	22.1
97.06526	0.9
99.04456	4.6
99.08159	0.4
101.02391	0.6
103.03917	1.2
103.05489	0.5
104.33882	0.4
105.07052	0.5
105.09127	0.7
109.02881	8.7
115.03931	4.5
117.05637	0.5
118.06539	0.9
120.08099	1.1
123.06675	1.4
124.07606	6.0
127.03918	22.1
130.04948	0.5
130.06538	1.5
133.02841	0.7
133.04980	2.6
133.08614	1.3
135.04396	0.6
136.07556	0.5
138.09109	1.1
145.04961	25.2
146.05997	1.7
148.04762	0.5
150.07750	86.5
151.03856	0.7
151.08078	1.1
163.03905	1.3
163.06044	4.1
164.07126	0.9
169.05008	0.5
174.09253	0.6
175.08647	2.1
176.07080	1.4
178.08640	4.4
179.07034	1.0
181.04846	0.5
204.06529	2.2
205.06952	0.5
210.11200	2.2
221.06033	1.2
236.09169	8.1
249.05482	0.9
249.15952	1.9
250.10869	0.5
263.13889	1.3
278.60867	0.4
295.06174	2.3
295.11792	2.6
295.16513	14.6
296.11285	2.4
296.14899	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01868	3.0
57.03438	5.9
59.04996	0.6
60.44363	0.4
61.02929	8.4
69.03430	20.1
69.06705	0.8
69.07069	12.1
69.52172	0.9
69.52551	0.8
71.01345	0.6
71.04984	2.3
73.02918	4.2
73.06560	1.1
73.47089	0.4
76.39877	0.5
81.03416	6.2
83.01343	0.6
85.02906	100.0
85.36515	0.5
86.03233	0.8
86.06058	1.7
87.04470	4.8
87.08110	13.8
91.03957	5.8
97.02892	23.0
98.22743	0.6
99.04431	3.7
101.02381	0.6
103.03947	1.3
105.07047	0.4
105.09129	0.6
109.02886	8.3
115.03940	3.3
117.05568	0.4
117.41547	0.4
123.06686	0.7
127.03918	19.7
133.04991	1.9
133.08618	1.8
138.89648	0.4
145.04961	26.3
146.06105	0.5
150.07750	22.8
163.06013	3.8
164.06996	0.4
178.08699	1.8
181.04839	0.4
210.11334	0.8
221.06055	0.6
259.15671	0.4
277.09210	0.5
288.72696	0.4
295.05908	0.4
295.11514	0.9
295.16589	2.3
296.11990	0.5
296.14935	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.3
53.11875	0.3
54.79453	0.3
55.01873	1.2
55.05503	0.6
56.51843	0.3
57.03439	9.1
59.05000	1.1
59.50809	0.3
61.02921	2.3
67.05502	0.4
68.99774	0.3
69.03430	18.6
69.07070	0.9
71.01357	1.8
71.04995	0.8
73.02919	11.9
73.03339	0.3
75.04486	0.4
79.05489	0.3
81.03423	2.6
81.07046	1.4
84.08122	0.5
85.02905	17.5
86.06068	100.0
86.09702	0.9
87.04467	10.2
87.05843	0.2
87.06399	1.1
91.03927	0.3
91.05489	1.0
95.04942	0.7
97.02896	14.5
99.04469	2.1
99.08093	1.5
103.03958	1.1
104.05138	0.3
108.08125	0.4
109.02865	1.1
111.04427	0.4
115.03929	12.8
115.07552	0.3
117.05449	0.4
118.06532	4.3
120.08099	1.9
121.06522	0.4
123.04433	0.4
127.03909	3.5
128.04279	0.3
133.04968	10.0
135.04471	0.5
135.45215	0.3
136.07619	0.7
137.05902	0.5
145.04936	5.0
146.06026	6.0
150.07739	1.3
151.03920	0.5
152.10701	0.7
158.06229	0.3
161.04533	0.3
163.03922	0.8
163.06032	0.7
164.07062	0.6
166.08720	0.4
169.05000	0.7
176.07072	0.5
178.07375	0.3
178.08632	15.6
210.11255	25.5
211.11552	0.9
221.05983	2.5
223.06021	0.5
226.01692	0.4
236.09186	1.2
236.12753	0.6
241.07095	1.1
249.05447	1.4
249.15979	0.7
264.08566	0.5
264.12259	0.6
267.67355	0.3
269.51038	0.3
277.09210	1.2
293.77557	0.3
295.05890	2.1
295.09415	0.5
295.16522	24.1
296.05984	0.6
296.11368	1.6
296.14813	14.8
306.43616	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1904
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
52.02389	0.3
53.03939	0.5
55.01868	5.1
55.05509	4.1
57.07063	1.5
62.13833	0.4
67.05510	4.8
69.03426	0.5
69.07065	3.5
69.69636	1.4
71.04967	0.3
71.08641	0.5
79.05489	5.2
81.07053	29.1
82.07384	0.4
83.04969	1.7
83.08614	1.9
87.57014	0.4
91.05467	2.1
93.07043	3.6
95.04964	0.6
95.08604	5.3
97.06518	0.9
101.09647	0.4
105.07036	2.3
107.08589	3.0
109.06519	11.7
109.10137	2.0
111.03654	0.7
111.04436	13.5
111.08101	0.8
113.73400	0.4
119.08583	3.0
121.10155	2.7
123.08048	1.5
123.11705	1.2
125.05988	3.4
131.08563	1.3
132.68048	0.4
133.10121	3.5
135.08035	1.7
135.11691	3.3
137.05968	100.0
137.13248	2.1
138.06216	1.9
143.08572	0.9
144.12663	0.4
145.10135	1.7
147.08070	0.9
147.11652	4.2
149.09612	3.1
149.13271	1.2
151.07556	2.8
151.11163	0.9
157.10115	1.5
159.11697	0.6
161.09616	4.4
161.13289	2.0
163.11191	1.9
163.14841	1.1
165.09105	1.9
167.10640	0.4
171.11703	0.9
175.11212	3.6
175.14818	0.7
179.10693	1.7
181.12251	0.6
189.12798	0.7
193.12228	1.7
203.14063	0.5
203.17949	4.1
207.13763	0.7
213.16397	2.1
221.18977	1.6
231.17436	8.9
241.15837	1.1
249.18495	11.6
250.18811	0.7
277.17969	53.3
278.18246	2.4
295.19061	4.7
295.22305	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.9
55.05508	4.1
57.07073	1.4
63.31707	0.5
67.05500	4.5
69.03403	0.8
69.07069	4.3
69.30488	1.2
69.30895	1.9
71.08624	0.9
73.37877	0.5
77.03948	0.6
79.05502	5.4
81.07057	28.7
83.04974	1.7
83.08617	1.8
86.09703	0.6
91.05476	2.2
93.07051	4.3
95.04967	1.2
95.08610	5.6
96.94084	0.5
97.06552	1.0
99.08098	1.3
105.04482	0.6
105.07025	2.4
107.08600	3.8
107.65507	0.5
109.06526	11.1
109.10159	2.3
111.04444	11.7
111.08067	0.5
117.07037	1.0
119.07856	0.5
119.08569	3.1
121.10144	3.9
123.08059	1.5
123.11713	1.2
125.06001	2.9
125.09643	0.7
131.08618	1.2
133.06430	0.6
133.10144	3.0
135.08080	1.4
135.11674	3.7
137.05977	100.0
137.13219	0.8
138.06335	1.5
139.07489	0.7
142.57852	0.5
143.08612	0.7
145.10155	0.9
147.08058	1.2
147.11691	3.8
149.09605	3.2
149.13254	1.5
151.07535	2.1
151.11162	0.9
157.10086	1.0
159.11670	1.1
161.09647	4.1
161.13271	2.1
163.11189	2.4
165.09091	1.3
167.10678	0.9
171.11618	1.3
173.13184	0.8
175.11230	3.2
177.09120	0.7
177.16367	0.9
179.10666	1.8
179.14287	0.8
181.12285	0.7
183.11650	0.7
184.07379	1.2
189.12834	0.9
193.12273	0.9
203.17961	4.4
205.19490	0.9
213.16362	2.0
221.19038	1.4
231.17458	8.2
241.15990	1.0
249.18474	9.7
277.17981	46.3
278.18170	1.5
295.19031	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	295.227
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03932	2.4
55.01863	4.8
55.05512	21.3
57.03421	3.7
57.07064	5.4
65.03929	1.7
67.05504	48.6
69.07064	16.5
69.30740	8.2
71.04997	5.0
71.08630	50.7
72.09000	2.0
77.03891	2.2
79.05489	44.9
81.03421	11.9
81.07053	58.3
82.07407	2.5
83.04984	14.1
83.08616	12.5
85.06535	3.9
91.05478	30.4
93.07043	63.9
95.04962	12.0
95.08605	38.2
95.28708	1.4
97.06519	10.8
97.10181	4.0
99.07449	2.4
99.08096	36.7
105.07024	19.1
105.08472	1.4
107.04976	6.9
107.08589	36.2
109.06526	4.3
109.10153	11.9
111.08083	2.5
117.07005	4.3
118.06547	1.6
118.59776	1.5
119.08578	11.8
121.10144	26.2
123.08080	3.1
123.11680	1.7
125.06045	2.2
127.11258	2.6
129.06953	2.3
131.08577	5.0
133.10141	10.6
135.11690	41.5
137.09566	3.5
141.09093	3.7
143.08606	1.9
145.10190	3.2
147.11728	2.8
147.67549	1.5
149.13245	10.2
151.11171	17.1
159.11664	3.9
161.13254	10.9
163.11195	5.9
163.14764	3.4
167.10625	3.6
177.12737	2.9
179.14297	100.0
180.14674	4.1
189.12773	1.9
195.13782	2.6
221.15474	3.3
228.23770	1.7
235.16895	2.3
259.20612	4.1
277.21606	48.0
278.21802	2.7
279.23038	1.5
295.22794	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
51.35569	1.5
51.72460	1.3
53.03947	20.3
55.01878	5.6
55.05512	32.1
56.22514	1.3
57.03433	2.8
57.07069	5.8
63.08593	1.3
67.05504	63.0
69.03442	2.4
69.07069	40.1
69.84002	2.4
69.84330	2.7
70.58638	1.4
71.04973	1.9
71.08624	5.5
79.05493	41.6
81.03417	79.8
81.07055	57.9
83.04987	21.6
83.08616	9.1
85.06547	2.9
85.10184	3.0
91.05484	22.9
93.07043	43.3
95.04965	43.2
95.08597	22.6
97.06528	4.0
97.10176	8.1
99.08101	3.9
100.48254	1.3
105.07034	24.3
107.05010	2.0
107.08590	27.6
109.06531	9.5
109.10136	17.6
111.08058	3.0
113.09621	2.7
117.07005	3.1
119.08571	14.3
121.10156	10.4
123.08022	1.9
123.11681	7.3
125.09607	7.1
129.07005	3.1
131.08588	5.1
133.10101	16.9
135.08061	5.5
135.11681	8.1
137.09605	2.5
137.13275	2.2
143.08575	1.8
147.08096	2.2
147.11664	11.5
149.13243	6.5
151.11177	45.3
152.11504	2.0
153.09148	5.8
153.12766	2.1
157.10135	1.6
161.09549	1.5
161.13260	10.3
163.14851	4.5
165.12779	13.7
166.95932	1.4
171.10277	1.8
171.11691	5.7
175.11179	1.5
175.14819	4.3
179.14345	8.3
185.13269	1.6
189.12714	3.2
193.12209	1.5
207.13818	5.6
217.09074	1.5
217.19485	2.0
217.80141	1.3
221.15311	1.4
231.21085	9.2
241.19467	5.8
249.22198	4.5
250.78198	1.5
259.20605	8.3
263.47577	1.4
277.21634	100.0
278.22064	3.8
279.23248	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03952	3.9
55.01865	7.3
55.05257	3.0
55.05514	51.9
57.03421	3.9
57.07074	6.5
59.05007	2.0
65.03924	2.1
66.23180	1.4
67.05505	88.6
68.05829	1.6
69.03429	5.6
69.07066	22.0
69.97623	1.9
69.97951	3.9
71.04991	5.1
71.08631	72.5
79.05495	46.4
81.03417	14.9
81.07057	63.9
82.07368	2.1
83.04993	12.0
83.08623	28.6
85.06548	7.1
91.05483	32.5
93.07045	51.7
95.04978	16.0
95.08604	35.3
97.06531	9.4
97.10176	36.2
98.23385	3.3
99.07448	3.2
99.08096	59.6
105.04537	2.5
105.07036	24.2
107.04977	4.4
107.08593	35.5
109.06528	6.7
109.10161	27.9
111.08080	5.0
111.86061	1.8
113.09650	2.8
117.07021	10.4
119.08568	19.4
121.06548	2.8
121.10149	20.5
123.08074	5.6
123.11701	5.8
125.09632	29.3
127.11143	1.6
129.07033	2.9
130.30833	1.4
131.08586	3.1
133.10126	14.6
135.08066	3.4
135.11688	19.7
137.13159	2.2
139.07564	2.6
141.12779	2.0
143.08557	5.2
143.10641	2.1
145.10112	11.1
147.07985	1.7
147.11691	13.0
149.09685	1.5
149.13271	10.9
150.02617	1.7
151.11188	51.8
153.12784	2.1
155.10660	2.3
157.10103	4.1
159.11690	6.2
161.13260	23.2
163.11203	26.5
163.14851	6.8
165.12730	5.2
171.10289	2.3
171.11687	7.5
173.13286	4.8
175.14825	6.8
177.12733	2.1
179.14314	18.0
181.12128	2.1
185.13307	5.4
189.11232	23.2
189.12808	2.8
195.13765	2.2
199.14874	3.2
207.13853	2.7
217.19438	2.5
221.15385	2.9
230.64667	1.8
231.21135	4.9
241.19539	6.8
247.34064	1.5
249.22046	3.5
259.20575	13.1
277.21634	100.0
278.22049	6.1
295.22903	12.4
296.25629	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	295.2266
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03949	2.2
53.33675	2.1
55.01867	11.5
55.05510	54.1
57.03430	4.9
57.07067	5.2
65.03931	4.7
67.05502	100.0
67.05866	5.8
68.74581	2.2
69.03420	7.3
69.07065	25.5
71.04989	3.7
71.08628	67.6
77.34306	2.7
79.05490	51.1
81.03407	15.2
81.07054	59.9
82.07355	2.9
83.04994	10.8
83.08617	32.3
85.06535	6.5
91.05477	26.5
93.07043	46.6
95.04961	15.5
95.08601	41.3
97.06521	12.2
97.10160	42.0
97.13562	2.0
99.08092	53.5
105.07020	24.8
107.04983	6.4
107.08591	37.2
109.06520	3.9
109.10152	27.2
110.10542	2.6
111.08102	7.7
117.07023	8.6
119.08570	14.7
121.06546	3.4
121.10130	17.2
123.08062	5.4
123.11699	4.6
125.09628	30.2
131.08571	5.7
132.17299	2.4
133.10146	14.6
135.08025	3.1
135.11690	17.7
137.05960	2.7
137.09607	4.0
139.07552	5.1
141.12762	2.4
143.08531	3.1
145.10129	6.3
147.11684	9.7
149.13252	11.4
151.11165	51.5
153.09052	3.6
157.10123	4.2
159.11714	4.2
161.13258	16.1
163.11166	20.1
163.14815	3.8
167.14514	2.1
171.10202	2.8
171.11662	3.7
175.14827	5.6
177.12837	2.4
179.14297	19.5
185.13292	5.1
189.11201	26.6
189.12729	2.5
194.80515	2.9
221.15369	3.3
231.21031	3.0
241.19533	7.7
242.20320	2.2
259.20554	13.1
277.21606	89.6
278.21802	4.8
281.34140	2.5
295.14948	2.9
295.22598	10.5
296.25595	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	295.2268
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03947	3.5
55.01868	19.4
55.05510	65.1
57.03432	13.2
57.07064	16.5
65.03932	3.8
67.05502	88.4
69.03426	11.8
69.07065	49.8
71.04991	11.7
71.08633	19.4
77.03912	3.7
79.05489	74.9
81.03426	6.8
81.07053	100.0
83.04980	28.2
83.08614	26.5
85.06537	9.4
85.10188	5.6
91.05478	53.3
93.07043	88.6
94.01300	2.3
95.04965	27.9
95.08601	66.8
95.09216	3.3
97.06536	23.7
97.10141	15.1
99.08074	17.1
105.07021	36.2
107.08590	38.0
109.06524	9.6
109.10144	25.5
111.08067	16.8
113.06006	2.8
113.93451	2.4
117.06988	10.0
119.08585	23.7
121.06495	4.1
121.10146	25.8
123.08129	5.8
123.11716	10.1
125.09615	8.8
125.55515	2.4
129.07013	8.3
131.08540	14.8
133.10121	39.4
135.08022	3.0
135.11676	19.7
137.09578	5.9
137.13248	2.6
139.11180	17.8
145.10110	3.3
147.11682	24.6
149.09641	3.7
149.13287	17.1
151.11145	10.7
151.14911	3.4
153.12743	3.2
157.10109	10.0
159.11752	4.8
161.13206	15.2
162.51031	2.3
163.11171	5.1
163.14804	6.1
165.12796	11.3
171.11700	5.1
173.13246	4.9
175.11197	8.4
175.14839	6.1
177.12779	4.2
179.14236	4.4
180.96048	2.8
185.13283	5.1
188.68552	2.3
193.12260	10.9
195.13843	6.1
207.13773	5.0
221.15280	6.7
249.22195	6.3
249.52760	2.8
259.20593	10.0
277.21613	90.8
278.21948	4.2
295.22659	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	295.2269
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03946	21.5
53.04172	3.2
55.01875	11.6
55.05513	28.3
57.03449	2.3
57.07080	9.4
57.89122	1.9
63.93697	2.0
67.05505	53.5
69.07072	48.5
70.05862	5.7
71.04996	5.9
71.08627	7.2
79.05495	32.6
81.03417	72.2
81.07053	63.8
81.07504	4.3
83.04993	22.0
83.08627	13.1
84.98837	2.2
91.05484	22.0
93.07047	44.1
95.04967	41.3
95.08610	25.1
97.06506	5.7
97.10186	6.7
99.08088	4.8
105.04504	3.2
105.07033	24.7
107.08600	27.3
109.06506	15.9
109.10168	10.8
111.04459	7.2
111.08098	4.7
117.07020	5.8
119.08583	10.0
121.10139	15.9
123.08064	3.3
123.11687	8.8
125.05994	3.9
125.09642	11.0
129.07014	4.2
131.08583	5.5
133.10135	15.8
135.08109	3.8
135.11696	13.9
136.22528	2.2
137.05966	43.6
137.09636	3.5
137.13268	2.8
143.08557	2.4
145.10146	4.3
147.08014	3.1
147.11685	13.8
149.09523	2.7
149.13239	12.6
151.11186	33.6
159.11676	2.7
159.65868	2.3
161.09622	3.8
161.13293	16.7
163.14825	6.6
165.09102	2.7
165.12796	7.5
171.11650	5.5
173.13261	4.9
175.11200	2.9
175.14841	5.8
177.12823	3.2
179.14345	6.1
181.12267	2.9
185.13234	3.4
189.11205	3.3
193.12311	2.9
195.13797	2.2
198.28883	2.2
207.13742	3.7
215.18126	2.4
221.15443	3.0
231.17505	3.9
231.21118	5.0
235.17021	3.7
241.19493	7.3
249.18584	5.9
249.22084	6.4
259.20566	7.4
277.18045	21.2
277.21628	100.0
278.21924	4.1
295.18884	2.2
295.22580	2.3
311.45319	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
51.02381	0.9
53.03940	3.5
55.01877	15.6
55.05510	57.3
57.03435	20.5
57.07074	15.8
58.19653	0.9
59.04989	2.5
65.03935	3.1
67.05502	83.6
68.05830	1.3
69.03429	12.3
69.07067	56.0
69.47671	4.3
69.48009	1.1
70.07398	1.0
71.04986	10.6
71.08272	1.5
71.08630	22.2
73.06556	1.1
77.03912	1.6
79.05493	67.4
81.03423	8.3
81.07056	100.0
82.07396	1.6
82.87133	1.1
83.04981	27.2
83.08621	25.7
85.02864	1.9
85.06548	9.3
85.10168	1.9
86.09724	1.4
91.05482	39.4
91.06055	1.9
91.16718	0.9
93.07044	85.0
94.07373	1.7
95.04972	22.2
95.08604	62.9
97.06528	28.1
97.10156	11.7
99.04453	1.2
99.08085	17.8
105.04499	3.1
105.06357	2.1
105.07033	32.5
107.04937	4.1
107.08592	38.4
109.06528	9.6
109.10161	20.0
110.79832	1.1
111.08089	8.5
111.11689	1.9
112.28719	0.9
113.09641	1.9
117.07025	10.2
119.08585	24.6
121.06561	2.3
121.10151	27.4
123.08027	5.6
123.11698	7.7
125.09630	9.2
127.07510	1.9
127.11104	1.1
129.06998	4.1
131.08580	13.6
133.06505	2.9
133.09187	1.6
133.10136	26.9
135.08057	2.4
135.11685	28.1
137.04092	1.2
137.09641	5.1
137.13248	3.7
139.11177	25.7
139.12250	1.3
140.34828	1.0
143.08545	2.7
145.10107	5.8
146.21156	1.1
147.08072	2.0
147.11690	18.6
149.09607	2.1
149.13261	15.1
151.11172	12.9
153.12785	5.1
157.10124	6.8
159.11664	7.3
161.09615	1.4
161.13260	15.6
163.11171	6.7
163.14815	4.2
165.12755	8.0
167.14346	1.5
171.11665	4.2
173.13261	4.0
175.11194	6.9
175.14728	5.2
177.12750	4.1
177.16342	1.3
179.14333	14.5
181.12242	1.4
184.07397	2.1
185.13277	3.5
188.87534	1.1
189.11188	3.5
189.12746	2.3
191.17929	1.4
193.12241	7.5
193.15872	1.4
195.13828	5.0
199.14854	2.4
203.14337	1.5
207.13821	4.2
211.13303	1.8
217.14279	1.7
221.15361	4.7
225.14806	1.6
231.17496	1.4
231.21046	4.1
235.16850	1.5
237.81628	0.9
239.16106	1.0
241.19481	4.8
249.22154	4.4
251.20102	1.1
259.20688	5.2
265.21588	1.0
277.21619	62.6
278.22025	3.0
295.22635	50.5
296.22913	2.5
306.66013	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
52.37334	1.4
53.03939	3.8
55.01878	10.1
55.05260	2.7
55.05513	47.1
55.05917	1.9
57.02646	1.7
57.03440	16.9
57.07073	10.2
58.43638	1.5
59.04984	2.9
60.08160	3.9
65.03928	3.7
67.05508	86.2
68.05813	2.1
68.10361	1.8
69.03439	8.0
69.06715	3.0
69.07073	41.7
70.41698	3.4
71.04989	10.0
71.07363	2.7
71.08634	15.2
79.05035	3.2
79.05494	47.1
80.05869	1.7
81.03418	8.1
81.07059	100.0
82.07394	2.5
83.04979	16.7
83.08620	25.9
85.06536	5.0
85.10180	3.5
86.09710	21.2
91.05482	28.7
93.07052	48.8
95.04971	15.6
95.08607	51.1
97.06552	10.4
97.10178	17.2
98.98472	2.1
99.04428	1.7
99.08086	13.0
104.10767	1.8
105.04496	1.8
105.07030	25.3
107.04931	3.2
107.08598	24.9
108.08771	1.8
109.06520	10.1
109.10152	24.8
111.08068	10.2
113.09635	1.9
117.07021	4.7
119.08586	23.1
121.10151	18.7
123.08070	13.1
123.11706	11.3
125.00027	9.9
125.09631	14.1
127.11311	1.7
129.07001	4.8
131.08583	6.5
133.10129	18.0
135.08060	6.1
135.11694	11.8
137.09601	7.5
137.13252	3.1
138.06366	1.7
138.87338	1.5
139.11176	7.1
141.12726	2.1
142.07742	1.7
143.08598	2.2
145.10127	6.7
147.07924	2.3
147.11688	13.6
149.09578	4.3
149.13260	6.5
151.11203	9.7
153.09077	3.3
153.12701	5.7
155.10645	6.0
157.10117	2.5
159.11702	3.7
161.09581	1.9
161.13255	11.7
163.11165	5.4
163.14767	2.2
165.12785	6.0
171.11642	2.5
173.11757	2.0
175.11209	2.6
175.14778	4.4
177.12750	2.7
179.14268	8.0
181.12216	1.5
184.07349	43.1
185.07693	4.8
189.11223	7.0
189.12752	2.6
193.12302	4.6
203.14297	2.1
215.17920	2.0
221.15295	1.7
231.21179	4.6
241.19568	3.5
249.22163	1.7
259.20575	7.0
277.21628	46.0
278.21918	4.8
295.22638	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
52.98959	1.2
53.03939	5.0
55.01616	1.4
55.01870	15.3
55.05510	63.5
57.03432	11.0
57.07075	14.3
58.25640	1.1
59.04986	3.0
63.52920	1.1
65.03949	2.8
67.05502	90.3
69.03426	6.4
69.07067	52.0
69.07446	2.5
69.10191	8.4
71.05004	9.8
71.05329	1.9
71.08624	16.9
73.54709	1.1
74.41666	1.2
77.03897	2.6
79.05489	67.9
79.16306	1.2
81.03419	11.8
81.07055	100.0
83.04978	30.8
83.08620	32.6
85.06524	8.0
85.10177	5.4
87.04481	1.7
91.05478	49.7
92.05818	1.5
93.07040	88.6
95.04967	27.2
95.08605	68.1
95.09106	1.2
97.06528	21.5
97.10162	18.9
99.08086	15.4
101.09673	1.3
105.04496	2.7
105.07028	41.7
107.04969	3.4
107.08588	37.1
109.06531	10.1
109.10147	27.6
111.08081	15.0
111.11713	2.9
113.06013	1.9
113.09624	2.9
115.05461	1.5
117.07036	8.7
119.08575	29.4
121.06520	3.4
121.10142	30.9
123.08077	6.6
123.11696	12.6
125.09631	10.1
127.07527	2.1
127.31966	1.2
127.41418	1.3
129.07005	9.0
131.08572	14.3
133.06499	2.5
133.10126	33.7
135.08047	3.5
135.11678	19.8
137.09576	8.1
137.13245	5.4
139.11182	18.8
143.08574	3.1
143.10713	1.7
145.10132	8.0
147.08015	3.8
147.11679	22.8
149.09612	3.0
149.13239	12.9
151.11168	15.3
153.09082	2.5
153.12746	7.2
157.10143	12.3
159.11644	6.7
161.09584	2.8
161.13251	13.1
163.11169	5.3
163.14861	4.6
165.12738	13.8
167.10748	1.3
167.14258	1.8
171.11664	5.0
173.13255	4.7
175.11232	6.4
175.14801	6.2
177.12788	3.1
177.16429	1.4
179.14320	4.4
181.12202	1.3
185.13275	4.2
187.14851	1.5
189.11186	3.6
189.12753	2.6
189.16396	1.7
193.12256	9.0
193.15924	2.2
195.13766	3.5
199.14867	3.2
203.14272	1.9
207.13820	3.6
208.33990	1.3
211.13370	2.0
217.19475	1.8
221.15349	4.6
231.21136	4.6
235.16913	2.5
241.19597	7.0
244.99295	1.3
249.22192	4.6
259.20541	11.8
277.21616	91.0
278.21906	4.0
295.22668	93.2
296.23120	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	296.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	0.4
57.03433	0.8
62.05474	0.4
69.03426	1.1
69.07061	0.8
69.42957	1.4
73.02917	0.5
73.06570	0.6
81.07056	1.1
85.02901	1.2
86.06098	0.5
87.04469	31.6
90.22017	0.3
90.40193	0.4
91.05496	1.0
94.50413	0.4
97.02899	0.7
99.05941	0.3
99.08085	1.6
108.09251	0.3
113.89846	0.4
117.05676	0.3
118.06543	25.7
119.07381	0.7
120.08113	2.1
124.07563	0.4
133.04877	0.4
135.04410	0.8
136.07555	0.9
146.06012	13.8
150.09146	0.6
163.03905	2.3
164.07072	4.8
176.07062	0.4
178.08636	42.3
179.09023	0.9
182.08084	1.9
192.10002	0.4
204.10197	1.3
210.11266	12.5
217.52841	0.4
219.89560	0.5
220.13354	0.5
232.09605	0.7
233.12944	0.6
236.09152	1.2
236.12854	0.7
240.46776	0.4
242.57124	0.4
252.12135	0.5
264.12311	7.6
265.06653	0.5
279.08325	2.2
296.14920	100.0
297.09525	0.6
297.15195	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	296.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.1
57.03443	1.9
58.03745	0.3
59.04999	5.1
60.97165	0.3
63.11291	0.3
69.03427	2.5
69.47772	0.8
70.03751	0.9
73.02914	1.5
73.06547	0.9
79.05505	0.3
81.03400	0.4
83.04957	0.3
84.99372	0.3
85.02893	1.4
86.03214	0.8
87.04463	1.0
91.05450	1.1
97.02895	1.4
98.03234	0.8
108.08151	0.6
108.15502	0.3
115.03916	1.4
116.04236	0.7
117.05742	0.4
118.06528	3.1
120.08098	0.4
127.03890	0.4
128.04225	0.4
132.08099	0.3
133.04944	0.8
134.05241	0.7
134.09659	0.8
136.07593	1.3
145.04933	0.5
146.06004	18.5
147.06303	0.7
154.08606	0.4
164.07057	7.2
178.08624	37.6
179.08986	0.7
180.06453	0.4
196.09685	41.3
197.10036	0.9
219.18513	0.3
236.09023	0.3
245.12486	0.3
250.11157	0.3
254.10153	0.3
264.12445	0.4
278.13855	1.4
296.14911	100.0
297.15237	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	296.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55777	0.3
55.68378	0.4
57.03423	0.7
61.02919	1.0
65.80251	0.3
67.81303	0.4
69.03429	2.9
69.07061	1.2
69.62952	1.2
70.03754	0.9
71.75404	0.3
73.02908	0.5
81.03373	0.8
81.07050	0.6
85.02906	9.8
86.03236	4.3
87.04467	40.6
87.08098	0.8
88.04822	0.5
88.08445	0.5
91.03920	0.6
91.05457	1.6
97.02885	1.4
98.03217	1.3
98.23396	0.5
99.04449	0.6
109.02839	0.6
117.05751	1.1
118.06541	4.8
120.08055	1.0
127.03883	2.1
128.04236	1.2
132.08095	0.4
134.09656	1.0
136.07565	1.0
145.04959	2.2
146.06033	17.9
147.06407	0.7
165.07803	0.5
178.08629	59.6
179.08984	1.5
180.06564	0.5
180.10237	0.8
194.95218	0.4
210.11243	23.2
211.11624	0.8
231.12027	0.4
264.12296	4.6
296.14914	100.0
297.15259	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	296.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04718	2.4
55.01861	3.6
55.05508	5.4
57.07077	11.3
67.05502	17.2
68.06285	2.3
69.03394	0.9
69.07073	5.8
70.05202	2.0
70.05533	1.5
71.03252	0.9
71.08630	2.4
79.05502	6.9
80.06282	1.4
81.03384	1.0
81.07050	14.9
82.04198	6.6
82.07382	1.4
82.07830	1.9
83.04993	4.8
83.08625	5.0
87.56815	1.0
91.05480	3.2
93.07044	10.0
94.07847	2.3
95.04974	2.9
95.08606	15.5
96.05738	7.3
96.08947	1.1
97.06532	11.5
97.10163	2.4
98.07320	2.5
99.08067	1.3
105.07031	4.3
107.08589	11.8
108.09365	1.5
109.06527	2.5
109.10160	6.1
110.07278	1.5
111.04434	5.6
111.08083	2.7
112.05218	8.2
112.08820	1.8
114.21519	1.0
119.08582	4.2
121.10110	6.0
122.07364	1.0
122.10912	2.7
123.08046	1.9
123.11703	1.7
124.05215	32.4
125.05991	100.0
125.09647	1.8
126.06316	1.6
126.10384	1.1
127.11205	5.4
133.10181	2.4
135.11681	6.6
137.05978	4.6
137.09621	0.9
137.13255	2.1
138.06793	6.8
139.11195	1.0
145.10118	1.6
147.11659	3.8
149.09601	1.1
149.13258	6.5
151.07532	21.3
152.08211	1.3
153.09058	5.1
153.12810	1.5
156.11458	0.9
161.09567	1.5
161.13248	2.0
163.11176	1.5
163.14819	2.6
165.09106	21.1
165.12788	1.5
166.09853	2.3
167.10721	9.1
167.14273	1.5
169.12282	1.6
175.11168	1.3
177.16386	2.4
179.09187	1.6
179.10672	21.9
180.11295	2.6
181.12271	7.6
181.15862	1.0
193.12213	3.6
201.25542	1.1
205.19510	30.0
206.19812	2.0
207.13785	2.4
215.17758	1.2
221.15440	1.0
235.16942	1.1
243.21053	1.2
250.19260	7.0
261.22107	2.5
264.20383	2.3
278.18732	42.1
279.19220	2.2
279.23178	7.4
296.19809	23.6
296.22903	1.5
296.25711	2.6
297.20065	2.2
308.32809	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72271	3.3
51.08046	3.9
53.83848	3.1
55.01889	9.4
55.05510	16.9
57.03427	4.1
57.07073	24.1
59.05005	4.7
67.05498	32.3
69.07065	34.0
69.24412	18.8
71.08636	24.0
75.72928	3.5
76.04058	3.2
79.05491	18.0
80.05843	4.2
80.94850	3.9
81.07052	33.2
82.04188	9.2
82.07377	4.7
82.55082	3.9
83.04979	13.2
83.08626	18.8
91.05450	5.2
93.07044	27.8
94.07361	3.5
95.04967	8.1
95.08602	35.7
96.05739	6.8
96.08917	4.2
97.06525	10.9
97.10158	3.9
99.08097	4.4
107.08597	17.2
109.10139	11.5
111.04436	6.4
112.05218	15.3
119.08578	9.9
121.10136	16.4
123.08044	5.5
123.11707	13.0
124.05204	39.1
125.05119	6.5
125.05994	100.0
127.11189	7.5
133.10144	5.5
135.11688	15.6
137.05995	3.5
137.09671	3.9
138.06744	7.8
141.12733	13.8
147.11676	4.3
149.13303	11.1
151.07530	24.0
153.09067	8.5
153.12738	7.1
161.13312	6.0
165.09099	23.2
167.10638	8.8
179.10667	20.4
180.14726	5.9
181.12181	6.9
183.13776	5.4
193.12204	3.7
197.49861	3.3
205.19510	31.8
208.17719	8.3
233.22879	4.8
250.19328	6.8
261.22159	4.7
261.61191	3.3
278.18704	39.4
278.21912	13.0
279.23132	28.1
296.15262	4.5
296.19775	32.0
296.25943	8.5
296.29434	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	297.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
53.26546	1.3
67.05502	3.1
69.03424	4.0
70.29147	3.4
72.08157	2.2
79.05485	3.6
81.03429	2.2
81.07042	2.6
83.04940	1.5
85.02913	5.0
85.06571	1.8
91.05476	4.3
93.07027	4.5
95.04976	4.7
96.62312	1.5
97.06541	1.7
98.97594	3.8
100.68605	1.4
103.05479	2.5
105.07043	2.6
107.04961	4.1
107.08598	3.1
109.02888	2.5
109.06532	2.1
109.10188	2.2
117.07043	2.9
119.04958	1.9
119.08624	1.7
120.08103	1.8
120.18278	1.3
121.06486	2.2
121.10155	2.3
123.04447	4.6
125.02120	7.9
131.04950	2.1
133.02904	1.4
133.10141	1.9
135.04504	2.0
135.08069	1.6
135.11678	2.4
137.06007	6.5
145.06467	1.6
145.10156	1.7
147.04398	3.2
149.05977	2.8
151.03896	3.7
163.00008	4.0
163.03934	2.0
164.07108	2.1
165.07002	1.5
173.06015	3.6
177.05284	3.0
184.00279	1.7
191.06944	2.0
191.08557	2.1
194.07295	2.9
195.02649	48.3
195.07631	3.8
205.06401	1.9
215.47342	1.4
219.08176	2.3
223.07399	1.6
236.09200	3.2
237.09286	7.6
247.05739	8.2
265.06467	11.3
265.09308	2.4
274.97568	4.8
279.08374	100.0
280.08917	3.3
297.11148	16.8
297.15222	10.4
298.14285	3.5
304.36206	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	2.5
67.05492	1.6
69.07078	1.5
69.51676	0.7
72.04505	2.1
79.05503	1.0
81.07060	3.0
83.04978	0.8
91.05484	0.9
93.07029	1.6
95.08589	1.2
97.06539	1.1
98.97581	18.5
105.07005	0.8
109.10131	1.0
116.98625	12.9
120.17796	0.7
131.08548	0.8
134.99654	5.4
135.47461	0.8
139.01332	0.7
148.04254	2.8
153.00752	0.7
164.72760	0.7
172.25301	0.7
172.94260	0.8
184.07384	0.8
219.27940	0.8
232.96510	1.8
250.97484	1.6
256.96518	2.7
273.15540	0.7
274.97488	20.3
292.98550	11.3
297.16711	100.0
297.99326	1.3
298.17111	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25816	2.9
55.01872	63.5
55.05515	15.2
56.96560	13.7
57.03432	51.8
64.82604	2.8
65.03938	3.6
67.05496	44.0
69.03411	4.5
69.07062	11.7
71.04984	6.4
79.05494	34.5
81.03416	4.0
81.07057	48.1
83.04983	29.0
83.08628	24.4
85.06586	4.2
88.47784	2.8
91.05473	40.7
93.07043	27.0
95.01321	4.2
95.04962	63.3
95.08598	22.6
97.02885	7.2
97.06540	5.0
97.37869	2.9
98.97581	89.9
105.07026	13.3
107.04954	63.8
107.08578	14.1
108.05724	12.1
109.06522	35.2
111.04440	5.8
111.08036	4.1
112.05241	26.7
113.05999	10.6
115.05400	4.6
116.98613	63.4
117.07019	28.9
119.08585	7.9
121.06545	18.3
121.10130	14.1
123.04422	15.0
123.08047	7.5
125.05996	3.1
128.06180	3.7
129.06996	8.7
131.08575	34.3
133.06461	7.0
133.10132	19.0
134.99641	27.1
135.08054	19.0
135.11700	5.3
141.06992	13.9
143.08559	9.8
145.06500	16.3
145.10139	29.8
146.07304	3.7
147.08078	3.7
149.09590	32.6
149.13293	5.0
151.11163	4.0
159.08020	6.5
159.11678	50.3
161.09622	43.5
163.11197	8.4
164.39011	3.5
165.09077	6.7
169.10095	15.4
171.11633	3.8
173.13290	3.2
177.12743	23.3
187.11174	51.8
190.95399	4.3
205.12233	62.0
208.11011	4.2
217.15898	4.1
223.13290	87.4
224.13266	3.2
227.14278	7.3
232.96434	8.3
245.15279	13.2
250.97467	3.5
256.96463	12.0
263.16467	11.4
274.97495	100.0
292.98523	53.3
297.99112	12.8
298.14557	3.2
301.24271	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	298.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
57.98803	0.4
58.58025	0.2
58.99584	8.7
61.01128	0.4
67.05504	1.3
68.05025	1.0
69.03436	0.4
69.05807	0.3
70.02935	0.3
70.49126	0.2
71.01344	0.4
71.04992	0.7
75.02708	0.6
76.02217	0.6
77.03928	0.3
78.03455	0.7
79.05488	1.9
80.05009	1.4
81.03438	0.5
81.07067	0.5
85.01125	6.0
86.00648	44.4
86.99049	4.3
87.00981	0.4
88.02209	1.3
91.05485	0.8
93.07046	1.0
94.06557	0.3
95.04964	10.1
96.03871	0.4
96.04486	6.2
96.08147	0.4
97.01189	0.3
97.02884	7.0
98.23525	0.5
100.02200	2.2
102.03757	5.3
103.05469	0.8
105.00078	2.4
105.03401	0.3
105.04565	0.3
105.07000	0.6
106.06538	4.2
107.04945	4.0
108.04472	0.9
109.02883	0.7
109.06503	0.4
111.02671	0.5
112.02250	0.3
120.04484	0.3
121.06525	1.5
122.02377	2.5
122.06028	0.6
123.01365	0.3
123.04428	3.0
124.03944	100.0
125.04266	1.7
125.06000	0.7
126.03764	0.4
126.05518	1.1
128.06175	0.4
129.06996	0.4
130.06523	0.6
131.01668	0.5
131.04869	0.5
132.01141	13.2
133.02869	0.5
133.06480	0.3
135.02704	0.6
135.04408	4.9
136.02217	0.3
138.03737	0.5
140.03407	3.5
146.02727	0.7
148.07616	1.5
149.05998	1.0
150.05464	1.7
151.03894	11.3
152.01570	0.3
152.04362	0.4
153.03697	0.4
153.05466	1.7
154.03218	2.7
158.05946	0.3
159.04364	0.4
160.07654	0.3
164.00446	0.3
164.01602	1.8
164.05295	1.6
166.03204	1.5
176.07028	1.3
177.05461	0.5
178.06863	0.4
181.03206	2.2
182.02690	38.5
183.03052	0.8
184.04242	4.5
188.05264	0.5
196.06194	0.3
196.07854	0.3
200.03717	0.7
206.06387	1.5
208.04306	1.3
210.02310	1.2
210.05830	3.7
212.03903	0.3
216.04843	0.4
224.07382	6.0
224.09460	0.5
228.03232	46.3
229.03517	1.0
230.04765	1.4
234.05811	3.4
252.06876	73.3
253.07254	2.3
280.06375	3.8
298.07413	61.5
299.07715	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	298.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69740	0.4
56.96547	0.6
62.29707	0.3
63.73912	0.4
70.11145	0.6
70.11478	0.6
79.05496	1.7
91.05488	0.9
98.97587	5.7
101.86478	0.4
103.05459	1.4
105.07033	0.6
106.06555	1.0
107.04970	0.6
107.07348	0.9
116.98615	2.4
117.05775	1.4
118.06530	1.1
119.07249	0.5
120.08104	1.3
121.06527	0.5
121.08901	0.5
130.06538	7.0
131.04947	1.1
131.07320	1.7
132.04416	0.5
132.08061	1.1
134.06036	1.2
134.99643	0.8
136.07585	0.5
146.05974	2.8
146.09778	0.5
148.07585	1.2
150.05502	0.7
158.05995	2.9
160.07616	1.0
164.07088	1.6
166.08681	0.5
176.07076	4.9
178.05090	0.5
178.08655	3.8
186.05513	1.3
190.08632	1.4
191.09566	0.5
194.08113	0.8
196.09729	2.4
204.06563	8.8
204.10216	1.9
210.07748	0.6
218.08144	11.2
218.11717	1.2
220.09712	0.5
222.07635	3.4
224.05629	0.7
232.96153	0.5
236.09184	62.2
236.12556	2.9
237.09485	2.5
238.07146	0.6
238.10295	0.4
239.07834	0.7
242.79810	0.4
254.10242	78.4
255.10568	2.7
256.96515	0.7
266.10251	1.5
274.97537	3.9
280.08759	0.8
292.98434	2.2
298.12848	100.0
299.13342	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	298.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.5
59.05000	0.5
67.05486	0.6
69.03402	0.4
77.08299	0.3
79.05487	0.5
81.75301	0.3
85.06561	0.4
90.58067	0.3
91.05479	1.3
98.97567	5.0
101.05921	0.4
103.05464	1.2
105.06993	0.7
107.04984	0.5
115.05461	0.7
116.98631	2.4
117.05755	0.9
117.07010	0.6
118.06590	1.6
118.52110	0.3
120.08102	0.6
130.06519	4.2
131.04904	0.7
131.07324	1.7
132.08052	1.1
133.03171	0.5
134.99657	0.8
143.07289	0.6
144.08099	3.6
146.06006	5.9
146.09647	0.4
148.07590	0.9
158.06010	2.7
160.07576	1.0
163.07549	0.3
165.05467	0.4
172.07568	8.0
174.09200	0.5
176.06987	2.4
178.08624	8.0
186.05482	1.1
189.73605	0.4
190.08661	1.8
191.09416	0.5
196.09688	1.1
204.06598	4.8
204.10196	26.0
205.10585	0.8
205.48729	0.3
206.08209	0.8
208.09637	0.6
210.11325	0.4
216.06575	0.7
218.08125	15.5
219.08510	0.4
220.05864	0.4
220.09674	0.5
222.07565	0.5
234.07668	1.5
235.08258	0.4
236.09178	22.4
236.12715	5.9
237.09555	0.8
248.09055	2.8
250.10741	5.1
251.08098	0.7
251.10960	0.5
254.10188	2.2
256.96487	0.5
266.10226	24.2
267.10672	1.2
268.08484	0.8
268.11792	10.7
274.97501	5.2
280.08853	0.7
280.11838	1.1
280.15448	1.2
292.98557	2.6
298.12854	100.0
299.10858	2.4
299.13239	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	298.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98642	0.6
55.05294	0.4
55.05509	4.5
56.96281	0.7
56.96561	10.2
57.03431	5.0
59.04997	1.2
61.02912	0.6
69.03421	1.3
69.72964	1.4
71.04977	1.2
71.95246	0.7
73.06548	4.4
75.04476	0.7
83.04968	3.4
85.02902	4.9
85.06541	0.4
92.10715	0.4
97.02894	1.4
98.97576	100.0
99.04436	0.7
99.97924	0.6
101.06010	81.9
102.06342	1.0
109.02851	0.5
116.98612	38.6
119.01836	0.5
119.07034	2.1
127.03941	1.0
130.93298	1.6
134.99643	8.3
140.00095	0.5
145.04932	1.3
153.00710	0.5
161.01106	0.6
163.06010	0.4
172.94347	5.6
190.95337	2.9
202.93581	0.4
208.96457	0.5
214.95433	3.4
220.91859	0.4
230.98457	0.5
232.96432	5.7
250.97548	2.5
256.96423	14.0
256.99005	0.9
257.96692	0.4
261.03055	1.3
274.97479	76.6
275.97845	2.2
292.98538	38.8
293.03717	1.2
293.98972	1.4
296.32446	0.6
297.99075	0.9
298.12653	1.1
298.97891	0.7
316.00223	0.6
316.98657	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.3
56.96564	3.5
59.04993	1.5
60.33283	0.5
61.02923	1.3
69.03439	1.3
70.06595	0.5
71.05001	0.6
73.06559	2.7
74.02441	0.6
79.05515	0.5
81.03425	0.8
81.07034	0.8
85.02891	3.0
87.04465	39.8
91.05482	0.8
93.07043	0.8
94.06555	0.7
97.02874	1.4
97.96886	0.5
98.97581	28.3
101.06011	12.6
103.05363	0.6
107.04962	0.6
110.06071	0.8
116.98623	15.9
118.06557	1.4
119.07059	6.4
120.08100	100.0
121.08481	1.9
127.03890	0.7
130.06532	0.6
134.99626	5.5
136.07565	1.0
137.05956	0.6
144.08092	0.9
145.04947	0.9
146.06058	0.5
148.07581	1.4
152.10707	2.7
160.07619	0.7
172.94353	1.5
176.07050	0.8
178.08548	0.8
180.10216	0.7
190.95412	1.1
204.10251	1.9
206.11758	92.5
207.12140	2.8
218.08226	1.3
220.09550	0.7
228.01340	0.9
232.96387	1.5
234.11343	0.7
236.09163	2.2
238.10719	1.6
238.14410	5.2
250.97479	1.1
254.10286	2.4
256.96426	3.4
266.10300	2.7
266.13879	12.0
267.14435	0.7
273.89227	0.5
274.97488	24.8
280.11911	0.7
280.15292	0.5
292.98563	13.1
297.79898	0.6
297.99167	0.5
298.09586	1.0
298.12857	12.6
298.16467	27.9
299.10709	1.2
299.16736	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01876	3.9
55.05508	1.8
57.28344	1.5
58.99587	11.4
59.99904	2.2
60.99147	1.9
67.05498	13.1
69.03418	6.7
71.01349	2.4
71.04977	4.1
73.74445	1.8
77.03912	3.1
79.05495	18.0
80.05016	2.2
80.05796	1.7
81.03423	11.7
81.07056	7.9
83.01327	3.5
83.04958	2.3
85.01115	5.2
86.00652	51.0
86.01442	2.0
86.99033	4.4
87.01009	11.4
87.04450	4.1
88.00213	6.1
88.02213	1.6
91.05478	24.8
92.05788	2.2
93.07051	9.0
95.04964	67.5
95.08602	4.6
96.04477	6.1
96.05265	7.7
97.02882	14.9
97.04802	3.4
97.06517	3.3
98.03197	2.6
99.04466	2.0
100.02222	1.9
101.02509	1.6
102.03754	4.6
103.04082	1.9
103.05454	7.9
105.00068	2.8
105.03392	9.0
105.04496	3.8
105.07029	25.8
106.06558	3.3
107.04955	16.5
107.06897	3.6
107.08563	3.3
108.05283	2.4
109.02893	2.4
109.06490	4.4
111.04465	1.9
115.03944	2.1
115.05437	4.9
117.06983	9.6
119.04935	3.0
119.08585	11.8
120.08076	2.3
121.06503	6.1
123.04430	33.6
123.08108	1.9
124.03950	100.0
125.02349	23.5
125.04296	66.1
126.04354	1.8
127.03922	2.0
128.06184	7.4
129.07004	30.2
131.04916	8.4
131.08551	7.1
132.01111	11.4
133.01498	4.7
133.02838	22.6
133.06497	18.1
134.00751	2.2
135.04410	14.5
135.08087	2.0
136.04755	4.9
137.05972	4.6
139.03906	6.8
140.03458	1.7
141.03754	1.9
141.05499	2.2
141.07027	3.1
145.06465	5.6
147.08049	31.2
149.05972	7.0
151.03894	47.3
151.07512	4.6
152.04231	11.4
153.05455	5.0
154.05925	1.5
157.06490	21.3
159.04419	11.6
159.08067	4.2
160.04845	1.9
161.02321	12.0
161.06020	10.8
165.01939	2.9
165.05490	27.6
167.06917	4.4
169.04993	12.1
169.06328	2.4
173.05933	1.6
175.06120	3.1
175.07538	34.5
177.05457	6.3
179.03392	6.8
179.07030	4.2
182.02640	20.4
183.03043	37.3
183.06493	4.1
184.02258	5.4
185.04578	3.1
185.05994	16.1
187.07623	3.8
189.05511	2.3
189.07257	1.7
191.07018	2.4
193.08627	6.1
197.04457	13.0
203.07034	29.4
207.06610	1.8
210.05875	1.6
211.06151	5.5
213.05466	4.1
215.05475	3.9
221.08066	29.0
225.07634	7.5
228.03267	19.5
229.03554	50.2
229.07155	3.6
230.02922	5.0
231.06664	10.1
235.06055	4.3
239.09082	14.5
249.07567	20.7
252.06834	8.9
253.07207	94.4
254.06358	8.2
263.09183	2.0
267.08591	17.3
281.06647	6.1
281.10031	3.6
299.07748	90.7
299.20224	3.3
300.07166	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	299.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.4
63.02364	0.4
70.60174	0.9
77.04916	0.4
79.05485	1.4
83.04971	1.3
89.03916	6.1
95.05007	0.4
101.06015	1.4
107.04963	2.5
114.09158	0.4
117.03375	9.3
135.04416	17.6
136.04750	0.4
145.02853	12.9
146.03206	0.4
147.70816	0.4
162.09654	0.4
163.03905	100.0
164.04248	2.3
181.04951	1.5
217.55702	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51692	7.5
55.05529	8.2
56.96557	8.3
57.30474	6.9
61.63527	6.3
67.05495	8.6
75.51399	6.1
76.79318	6.1
81.07051	11.9
87.44318	6.2
89.33614	6.2
95.08576	8.3
100.14352	6.8
120.43594	6.2
121.38093	7.6
151.07642	8.4
267.09033	63.3
281.13626	12.3
285.10135	69.4
299.09207	11.3
299.12335	100.0
317.12659	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	299.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
63.75111	0.4
67.05503	0.5
69.07064	0.5
70.50376	0.5
70.50699	0.7
79.29513	0.4
81.07022	0.7
91.05499	0.4
95.01080	0.6
98.97579	0.8
109.10112	0.4
116.98637	0.6
129.69995	0.4
146.03871	0.4
147.29820	0.4
175.90125	0.4
180.93622	0.4
195.09917	100.0
196.10239	2.4
239.09892	0.5
264.36951	0.4
274.97507	0.5
281.13553	1.4
293.99020	0.6
299.14636	16.9
300.15350	0.6
300.18869	0.4
304.67834	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28877	0.7
55.05500	0.8
57.03440	1.4
63.75137	0.8
67.05506	2.4
69.03416	4.1
69.07067	2.0
69.10442	4.9
71.04967	1.1
79.05521	0.8
81.03428	0.7
81.07058	3.8
81.55236	0.8
83.04986	1.3
83.08592	0.8
85.02892	1.6
85.06571	0.9
85.64941	0.7
89.23969	0.7
91.05492	1.6
93.07047	1.8
95.04993	1.0
95.08612	2.7
97.06551	0.8
105.07041	1.8
107.04957	0.9
107.08577	4.0
109.06528	0.8
109.10168	3.4
111.08052	0.8
121.06468	0.7
121.10184	0.9
127.03976	0.7
129.05457	1.3
131.08517	0.8
135.08047	2.7
135.11646	0.9
137.06012	1.9
137.13257	1.4
145.06467	0.8
146.05943	1.2
147.08038	1.0
159.11703	0.9
161.05994	0.8
163.03876	1.3
175.07558	1.5
179.18947	0.8
196.05116	0.9
197.05879	0.9
210.06778	1.0
211.07536	0.9
213.05554	1.0
221.11531	1.0
225.11023	2.1
237.53510	0.7
239.06999	1.2
239.12654	4.7
267.12036	43.6
268.12241	2.0
271.09610	1.0
272.35663	0.7
281.13638	4.5
299.09158	6.2
299.14679	100.0
300.15027	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	299.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.3
57.07057	0.9
67.05496	2.1
69.03429	3.2
69.07055	1.3
69.86625	0.7
71.04984	1.0
77.22260	0.7
79.05492	1.5
81.03410	1.0
81.07053	4.5
83.04987	1.1
85.02882	0.8
85.06536	1.3
91.05473	2.2
91.66020	0.9
93.07029	1.0
95.04950	1.0
95.08605	3.3
97.06506	0.7
101.29317	0.8
105.07034	2.2
107.08591	4.0
109.10144	2.8
111.04463	1.0
118.99004	0.7
119.08623	1.1
121.06455	0.8
121.10143	0.7
135.08057	2.9
137.02245	1.0
137.05974	2.2
137.09595	1.0
146.06058	1.9
146.66092	0.9
163.03993	0.8
175.07544	1.1
181.06601	1.2
211.07475	1.0
218.65800	0.8
225.11066	1.7
239.12589	5.9
240.07903	0.8
253.08565	0.9
267.12051	42.9
281.13641	4.0
299.05496	1.9
299.09161	5.3
299.14676	100.0
300.09598	1.3
300.15115	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	300.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	7.2
57.03427	1.5
58.03771	0.6
59.04998	0.6
59.63607	0.6
61.81503	0.6
63.25589	0.6
67.05486	1.2
69.03433	0.9
70.68211	1.2
85.02922	1.6
85.06537	2.6
86.03257	0.7
98.97583	100.0
101.00861	0.8
103.07571	2.8
116.98623	42.3
119.01913	1.3
119.07062	0.8
120.08116	1.1
121.06557	0.7
121.08622	1.4
133.03456	0.6
134.92828	0.7
134.99666	10.5
138.05508	1.9
138.09148	2.2
143.01976	0.7
153.00652	0.7
159.21608	0.6
174.97687	0.8
175.00862	1.5
176.97359	0.7
177.00882	1.0
178.16536	0.6
192.62492	0.7
193.03195	1.7
205.02283	0.9
205.06325	0.6
216.98691	1.5
217.02002	2.0
219.02095	1.2
223.72617	0.7
234.95874	1.2
240.98640	4.2
252.96896	0.9
258.99762	62.1
259.99957	2.4
276.97589	3.7
277.00803	64.0
278.00949	2.1
294.98322	2.2
295.01822	0.8
299.98050	1.6
300.02118	0.9
300.10602	1.4
300.14270	1.2
300.97641	0.8
301.09003	6.1
317.98962	1.7
318.98779	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00985	6.6
55.01874	13.4
55.05507	17.4
56.96572	6.5
57.03440	36.7
62.57687	5.4
67.05515	66.7
69.03442	9.0
69.07076	91.4
71.01349	7.8
71.04990	13.7
79.05489	74.1
81.03419	15.4
81.07058	100.0
83.04977	14.7
83.08630	14.4
85.06541	5.9
89.06021	9.9
91.05480	57.4
91.92487	5.7
93.07059	61.6
95.04982	24.7
95.08618	67.4
97.06532	33.2
97.10192	6.0
98.09694	11.9
98.97596	23.9
99.08086	6.2
101.24431	5.8
105.07032	35.5
107.04944	15.2
107.08592	63.0
109.06527	18.0
109.10169	25.2
111.08094	13.4
116.98624	9.8
117.07020	17.6
119.08588	35.6
121.10155	49.0
123.08067	16.8
125.09641	23.7
129.07063	7.3
131.08588	26.9
132.36198	6.5
133.08647	8.7
133.10124	30.6
135.08078	21.0
135.11708	8.0
137.09648	15.8
139.11217	10.1
143.07025	18.9
145.10144	28.4
147.08075	9.5
149.09610	40.7
151.11215	6.4
153.09084	32.2
159.11676	10.1
161.08133	7.2
163.11208	12.6
165.09076	8.8
167.10693	27.0
169.27762	6.4
171.10269	7.0
187.11198	10.3
201.16502	8.4
219.17416	9.3
229.15817	14.8
247.16936	39.7
258.05353	11.1
265.18076	12.6
276.97269	9.6
286.04807	16.9
294.98541	9.4
300.23215	66.7
300.32596	12.1
301.07068	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02026	0.7
53.03938	0.8
55.01877	1.2
55.05513	3.2
58.68280	0.7
60.05530	0.8
60.52980	0.7
67.05499	7.1
69.07068	100.0
73.06554	14.7
79.05492	23.7
81.03403	4.0
81.07067	7.4
91.05479	8.7
93.07043	8.2
95.04972	1.8
95.08611	5.4
97.06532	22.2
98.97597	1.8
104.59711	0.8
105.07021	7.7
107.04942	0.9
107.08592	44.3
108.08948	0.9
109.06544	1.5
109.10178	0.8
115.07568	9.0
117.07024	3.2
119.08582	4.4
121.10162	1.3
123.08117	0.8
123.11659	1.9
125.05993	17.6
125.06905	1.0
129.06973	1.1
131.08536	5.6
133.10139	6.8
135.08067	1.4
135.11684	2.6
137.09651	0.9
143.07031	66.7
144.07436	1.6
145.10135	10.2
149.09613	7.0
151.11241	1.0
159.11702	2.8
160.20874	0.8
161.08090	31.5
161.13260	1.0
163.11215	2.0
165.09160	1.1
169.10164	2.1
171.10233	1.9
173.13254	1.7
177.09119	0.9
185.13214	1.2
187.14819	1.3
201.16367	10.1
211.14882	2.5
229.15875	9.2
231.94211	0.9
247.16928	34.7
248.17229	2.0
265.17972	8.6
286.04715	1.5
301.07095	2.6
301.14145	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	300.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55921	4.4
55.05511	29.2
57.03426	12.0
59.04997	4.6
62.78025	4.3
67.05506	61.1
68.96050	4.0
69.03424	11.0
69.06763	4.6
69.07073	46.3
70.69658	4.2
71.04986	8.3
79.05490	75.3
81.03415	15.4
81.07057	100.0
82.07397	5.3
83.04959	12.0
83.08608	15.7
85.06537	5.2
89.06023	12.3
91.05479	55.3
93.07036	69.7
95.04951	18.8
95.08601	33.0
97.06503	13.8
97.62208	4.8
99.08108	5.8
105.07022	42.0
107.04942	5.5
107.08592	34.4
109.02499	4.0
109.06502	11.0
109.10172	24.3
110.49287	4.5
111.08084	4.6
117.06985	10.9
119.08567	34.0
121.06477	5.8
121.10163	29.1
123.08058	6.9
127.07523	12.4
129.06982	13.8
131.08514	22.3
133.08632	4.9
133.10112	20.1
135.08043	12.1
137.09595	16.1
143.07022	12.8
143.08499	6.9
145.08615	15.6
145.10107	19.9
145.62770	4.6
147.11641	18.1
149.09601	10.8
157.10054	6.4
159.08084	6.1
159.11679	8.4
161.08121	4.7
161.13243	5.4
165.09096	7.4
169.10091	8.5
171.11674	9.3
173.13286	13.0
189.12704	6.6
201.16382	10.8
211.14804	7.4
228.13843	7.2
229.15852	9.8
231.29233	4.4
247.16875	20.6
258.05215	6.8
258.99487	5.2
265.17963	5.0
277.09180	4.9
286.04468	6.0
300.23126	49.9
301.07028	19.3
303.77850	4.4
307.83420	5.8
318.94754	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	301.07
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
68.99454	0.1
68.99795	0.1
70.75269	0.1
78.04747	0.1
79.05469	0.1
81.07047	0.1
81.58570	0.1
91.05460	0.1
106.98967	0.1
149.05920	0.3
153.01808	1.1
165.07010	0.2
179.09428	0.1
181.06430	0.2
182.07272	0.1
184.05121	0.1
184.82797	0.1
195.08212	0.1
198.06819	0.1
201.05484	0.1
203.03514	0.1
212.04630	0.1
213.05447	0.1
213.08998	0.2
215.07063	0.1
226.06342	0.1
228.65419	0.1
229.04961	1.8
230.05632	0.2
241.08624	0.2
251.94922	0.1
257.04446	0.8
258.05228	47.6
259.05591	1.8
269.04404	0.1
269.07895	0.1
286.04706	60.7
287.05090	2.3
300.06140	0.1
301.07062	100.0
302.07391	3.9
302.10056	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	301.0707
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
51.01298	0.2
54.36031	0.2
54.63132	0.2
65.13701	0.2
67.05448	0.6
70.93581	0.3
79.05383	0.3
81.06996	0.4
93.06992	0.4
107.08555	0.3
109.10094	0.4
153.01790	0.9
229.04959	1.3
257.04324	0.6
258.05231	33.2
259.05551	1.4
269.17407	0.6
286.04706	52.9
287.05051	2.4
292.08722	0.3
301.07059	100.0
302.07443	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	301.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18673	0.4
53.74869	0.3
59.63413	0.3
70.67275	0.5
71.49317	0.3
76.41286	0.3
85.02930	0.4
86.09692	0.4
95.04950	0.4
98.97588	0.8
111.04414	0.3
112.23870	0.3
116.98676	0.7
139.03865	0.8
156.10228	0.4
161.47794	0.3
171.53009	0.4
173.60927	0.4
220.68919	0.3
222.41617	0.4
278.00821	0.4
301.12561	100.0
302.12888	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	301.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
66.60290	0.3
69.64938	1.2
69.65260	0.4
76.04563	0.3
86.09700	0.4
94.23315	0.4
98.97598	1.2
116.98600	0.6
120.08669	0.3
127.53593	0.3
130.84297	0.4
149.47401	0.4
171.07610	0.4
258.04935	0.4
265.58856	0.4
301.12567	100.0
302.12851	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	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.0
55.01853	1.3
57.03398	2.2
61.02888	2.3
64.21260	0.6
65.03905	2.5
67.05501	25.4
69.03426	14.4
69.07069	10.8
70.06550	2.3
71.04955	0.7
71.27814	0.9
73.02875	2.0
77.03411	0.6
81.03417	4.8
84.04475	1.9
84.08115	0.9
85.02903	35.1
85.69601	0.8
86.02419	0.8
86.03183	0.7
86.09673	1.9
91.05429	1.7
93.03384	1.3
94.03730	1.0
94.06531	1.6
95.04970	49.8
95.05927	1.4
96.08083	0.9
97.02893	31.3
99.04430	1.7
101.40071	0.7
102.01381	0.7
103.03923	3.9
103.05461	0.9
108.04453	1.2
108.08107	4.2
109.02879	6.4
109.06462	0.7
110.06017	0.7
111.04450	1.8
112.04733	2.1
112.07606	34.8
113.05951	3.2
119.04941	10.8
121.06451	0.8
122.06019	1.6
123.04427	17.4
124.07561	2.3
127.03904	6.5
130.04974	2.3
136.07567	2.8
138.09142	33.9
139.03903	4.1
140.04277	5.6
140.07059	100.0
141.07428	2.3
142.84402	0.6
145.04964	3.0
147.04419	6.0
147.07652	2.3
152.07059	1.4
154.08609	5.2
164.07080	1.6
165.05452	4.3
172.07550	0.9
178.08640	3.3
179.75462	0.7
182.08124	55.5
183.08502	1.5
206.08138	12.0
218.08168	2.0
236.09319	2.3
248.09227	7.0
272.10440	0.9
284.11447	1.6
302.13989	23.2
303.14102	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	303.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	0.4
59.65744	0.2
61.78600	0.2
69.47857	0.9
71.84049	0.2
82.99848	0.3
98.97584	3.6
99.97911	0.5
101.00246	0.3
101.00881	3.3
102.00950	0.4
102.96871	0.4
107.04940	0.6
112.90510	0.2
116.98616	2.1
118.98215	0.2
119.01916	5.8
120.01994	0.4
134.99794	0.3
137.02971	0.6
140.98820	0.3
158.99895	1.8
159.99962	0.6
164.37039	0.2
165.99608	0.3
167.07921	0.2
175.03058	0.3
177.00957	9.8
178.01033	2.9
179.00766	0.9
182.99895	0.7
195.86890	0.2
199.03024	0.3
199.76372	0.2
200.02435	0.3
201.00975	2.6
202.01045	0.8
217.04070	2.4
218.04018	0.9
219.01999	19.8
220.02100	6.5
221.01785	1.9
222.01842	0.2
225.00845	2.2
225.02545	0.2
225.11919	0.2
225.81960	0.2
226.00958	1.0
242.03813	0.2
243.01996	11.9
244.02116	4.4
245.01811	1.0
261.03043	100.0
262.03183	35.6
263.02869	6.8
274.97937	0.2
279.00690	1.7
280.00882	0.6
281.00165	0.3
282.99960	0.3
284.04630	1.4
284.99777	2.2
285.04758	1.4
286.00128	0.3
301.00986	0.4
302.97214	0.5
303.00827	2.8
303.05515	6.8
304.05655	1.5
320.98001	0.5
321.01788	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	7.7
61.02914	6.3
69.03423	6.2
69.41841	21.6
71.04987	18.5
73.02926	5.1
85.02917	18.1
93.40683	4.4
97.02913	7.9
98.06049	11.0
98.97574	9.5
99.04438	18.5
101.00784	4.0
101.13013	3.8
116.07092	7.6
119.01866	5.5
127.03872	6.4
141.06587	5.5
176.07002	5.3
183.18996	4.7
213.03412	13.7
213.05226	5.1
235.10738	12.2
301.96304	6.8
303.07889	24.8
303.11041	100.0
303.15442	29.6
304.10922	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	303.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39586	3.3
60.85332	4.3
63.37678	3.2
69.56949	3.7
70.61391	8.2
83.05309	3.3
84.82864	3.5
86.64643	4.8
90.45016	3.9
98.97582	44.6
107.04913	6.0
116.98645	7.9
141.01566	3.7
158.99652	18.4
177.00766	9.1
219.01871	10.0
221.56839	3.4
249.46748	4.4
261.03128	13.4
261.82080	3.9
262.03238	7.9
303.07761	18.0
303.10934	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0864
Annotation	Hesperetin
Peak:m/z	Relative Intensity
52.57523	0.3
55.01884	0.4
55.05495	0.6
60.06669	0.3
67.01868	7.2
67.05493	1.0
68.63144	0.3
68.99786	3.7
69.03419	1.2
69.07051	0.6
69.41971	0.3
71.05009	0.4
77.56924	0.3
79.05492	0.7
81.03400	0.7
81.06624	0.3
81.07047	1.5
81.07496	0.3
83.01326	0.6
89.03918	5.8
90.25048	0.3
91.05484	2.0
93.03389	0.8
93.07034	1.0
94.04185	0.8
95.04965	0.9
95.08607	0.7
97.02879	1.7
101.62173	0.4
103.05432	0.6
105.07011	0.9
107.04954	0.6
107.08572	0.7
109.06495	0.5
109.10161	0.9
110.03636	0.5
111.00788	1.5
111.04432	0.5
111.07964	0.4
117.03380	6.5
119.04941	1.1
119.05892	0.3
119.08551	0.9
121.06490	0.9
121.10152	0.8
122.03658	3.0
123.04427	1.4
123.11633	0.3
125.02367	0.7
125.05971	1.1
127.03915	0.5
129.01822	1.0
131.04880	0.4
131.08571	0.4
133.10106	1.1
134.03616	1.4
135.04414	3.8
135.11728	0.4
137.05978	38.5
138.06305	0.8
145.02872	4.8
145.06508	0.4
145.10101	0.7
147.04514	0.4
147.11649	0.4
148.41295	0.4
149.05984	6.6
151.03879	2.0
151.07518	3.8
153.01825	100.0
154.02162	2.1
154.71227	0.3
157.10104	0.5
159.11740	0.4
162.03191	0.4
163.03909	8.4
163.07523	0.3
165.06921	0.6
166.02657	0.4
171.02887	15.6
173.06009	0.6
175.07533	0.7
177.05470	51.0
178.05809	1.3
179.03397	9.4
179.04987	0.5
181.06416	0.5
183.08034	0.6
189.16368	0.3
199.14835	0.6
201.05473	1.5
211.07533	1.1
219.06451	1.0
225.09015	0.5
239.07028	0.4
243.06409	0.4
243.10143	0.8
261.07373	0.5
271.09561	1.0
285.07608	2.3
285.22241	0.6
287.05319	0.4
303.08624	61.6
303.23209	1.1
304.09024	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	303.0864
Annotation	Hesperetin
Peak:m/z	Relative Intensity
51.02381	0.2
55.01867	0.4
65.03913	0.3
67.01862	7.7
67.05508	0.1
68.99786	3.9
69.00163	0.3
69.03434	1.6
69.46485	0.5
79.01861	0.2
80.35157	0.1
81.03391	0.7
83.01330	0.6
85.02877	0.2
89.03913	6.0
91.05481	1.0
93.03398	0.5
93.07037	0.2
95.04955	0.4
97.02896	1.2
103.05453	0.2
105.06998	0.2
106.04178	0.3
108.02145	0.2
110.03648	0.2
111.00808	1.4
111.04426	0.5
115.05400	0.2
117.03376	6.6
118.03771	0.2
119.04917	0.7
119.08597	0.1
121.06510	0.4
122.03661	0.3
123.04408	1.4
125.02351	0.7
125.05979	0.8
126.09470	0.2
127.03905	0.5
129.01826	0.7
131.04880	0.2
134.03613	1.9
135.04407	2.3
136.05217	0.3
137.05968	4.4
145.02838	4.7
145.10155	0.2
149.05971	5.9
150.06358	0.2
151.03889	1.7
151.07545	2.9
153.01816	100.0
154.02151	2.2
162.03134	0.6
163.03896	7.6
163.05286	0.4
164.04242	0.2
166.02603	0.3
171.02878	14.1
172.03175	0.3
173.05814	0.2
175.07538	0.5
177.05458	43.7
178.05801	1.5
179.03383	9.7
180.03758	0.3
187.03931	0.2
190.60745	0.1
201.05452	1.5
215.06990	0.3
219.06522	0.6
246.50587	0.1
253.04810	0.2
261.07550	0.8
270.05283	0.3
285.07523	2.1
287.05566	0.3
303.08603	58.7
304.08942	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	303.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74541	0.3
52.98425	0.3
56.96480	2.5
70.06513	0.3
76.77652	0.3
84.08063	0.7
84.50463	0.3
85.02805	0.7
94.61919	0.3
95.47972	0.3
98.97585	10.9
98.98154	0.6
99.44299	0.3
99.97837	0.6
101.00777	1.4
102.96778	1.1
107.04957	2.5
116.98625	6.6
118.98082	0.5
119.01921	3.1
120.01951	0.5
120.97859	0.7
123.05550	2.3
128.98560	0.4
130.36490	0.3
131.01817	0.5
134.99654	2.5
136.99072	0.4
137.02844	0.5
137.05882	0.4
140.03435	2.5
141.03798	2.1
141.05127	0.8
153.00577	0.5
155.00087	0.5
158.99706	0.9
161.02849	0.7
173.01178	0.5
173.02827	0.6
177.00943	5.5
178.00952	1.0
179.00627	0.7
185.04214	0.4
187.04442	0.3
190.95233	0.3
201.00822	1.2
201.06046	1.1
202.01102	0.4
205.00478	0.4
217.03989	1.1
218.98566	0.6
219.01997	9.9
220.02112	3.2
221.01707	2.0
221.05058	0.8
225.00925	1.2
226.01024	0.4
232.96469	0.4
234.99699	0.5
235.03284	0.4
242.98285	0.5
243.01961	3.9
244.02141	1.4
245.01768	0.5
256.97427	0.7
260.99741	3.0
261.03058	43.8
261.99945	2.0
262.03152	16.8
262.99124	0.6
263.02899	3.5
273.08417	1.1
279.00485	3.8
279.97223	0.6
280.01035	1.6
281.00198	1.0
284.04559	0.4
284.99866	0.6
285.04730	0.5
297.98050	0.6
298.98700	0.5
303.10522	100.0
304.05579	1.0
304.10782	3.3
317.20459	0.4
320.98172	0.5
321.10275	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59555	0.6
60.13626	0.6
62.91570	0.5
67.05508	1.4
69.19534	1.6
69.19938	1.7
79.05479	1.2
81.07040	1.8
83.08611	0.6
88.62326	0.6
91.05486	1.0
93.07042	1.5
95.04984	0.8
95.08694	0.6
107.08625	0.6
119.08608	0.7
137.05977	1.5
153.01849	1.3
154.96651	0.5
163.11302	0.6
164.06955	0.6
243.11299	0.7
269.17471	1.6
276.90424	0.6
303.15671	100.0
303.23041	2.1
304.15912	5.4
308.32306	0.6
311.55945	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58937	0.7
55.05508	1.1
56.17729	0.7
56.82351	0.8
66.99133	0.7
67.05491	1.2
69.07079	1.6
69.78439	1.4
69.78801	1.6
70.06602	0.8
81.07041	2.6
83.08612	0.7
84.86432	0.6
90.61024	0.7
91.05471	1.1
93.07034	2.5
95.04936	1.1
95.08608	2.7
95.23338	0.8
98.23541	0.8
105.07018	2.1
106.15147	0.7
107.04900	1.0
107.08576	1.6
109.10122	1.5
119.08570	1.6
120.08097	3.5
121.10114	0.8
133.10139	1.5
137.05984	3.2
143.08517	0.8
145.10162	0.9
153.01849	2.6
173.06123	0.7
177.05499	1.6
232.40675	0.8
234.77576	0.7
261.86017	0.7
271.09741	0.8
271.69901	0.9
285.14651	6.1
285.17502	1.0
285.22147	1.3
288.06311	1.2
303.08505	2.6
303.15668	100.0
304.16068	4.0
310.65878	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.9824
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96516	1.6
62.64346	0.3
67.23385	0.4
69.03384	0.4
70.93678	0.5
75.93175	0.3
97.02829	0.5
98.97589	4.9
101.00870	1.5
102.00914	0.4
102.96870	1.8
103.00594	0.7
107.04967	3.7
112.55958	0.3
113.00855	0.3
116.98635	3.3
119.01935	3.9
120.01945	1.3
120.97860	1.3
121.01667	1.7
134.99622	1.0
140.98816	0.7
141.98804	0.4
143.01866	0.5
158.99910	1.7
159.99959	0.7
177.00955	16.9
178.01048	4.8
179.00684	2.9
181.03368	0.6
182.99837	1.0
191.02180	0.8
196.95465	1.2
199.04575	0.7
201.00928	7.3
201.02692	0.6
202.00987	0.9
202.94432	0.7
203.00638	0.7
214.96545	14.7
215.96574	0.8
216.98961	0.4
218.04004	0.5
219.02013	100.0
220.02106	13.0
220.95494	0.8
221.01797	5.8
226.01163	0.9
227.00726	0.9
231.00146	0.5
238.96590	3.3
239.95767	1.1
242.03613	2.9
243.01892	0.5
244.02002	3.4
245.01660	3.0
248.97908	0.4
256.97617	51.9
257.97217	4.9
258.48492	0.4
258.96619	1.5
261.03091	4.2
262.03180	32.3
262.99368	1.0
263.02863	29.3
264.03122	1.3
269.98422	0.3
274.97607	2.0
275.97906	1.3
276.97870	0.4
278.01389	0.4
278.12390	0.4
279.98288	1.6
280.97601	3.8
281.97992	1.2
283.00006	0.6
285.04742	0.7
286.04517	1.4
298.98447	47.0
299.98740	4.1
304.00760	0.7
304.05585	6.3
321.99921	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	28.4
61.08338	0.2
66.80016	0.2
69.27606	1.0
69.28025	0.4
70.06587	0.3
70.98087	0.2
71.95251	1.1
72.96024	0.5
74.97617	0.9
75.92083	0.2
80.94827	0.3
84.75346	0.3
84.96035	0.6
86.98582	0.2
88.07619	0.5
89.36123	0.2
92.98650	0.3
97.96813	0.7
105.00163	2.2
110.97592	1.5
115.00719	0.6
119.01714	0.8
123.01200	2.1
127.00663	0.5
127.30763	0.2
128.98643	1.2
137.02748	2.4
139.00659	3.7
141.02226	1.5
146.99635	0.8
149.02739	0.3
151.00658	2.1
153.02225	8.2
155.03786	1.8
157.01715	2.6
159.03302	1.1
159.28813	0.2
160.29359	0.2
163.00552	0.3
163.04311	0.6
165.02269	1.4
165.05824	0.3
167.03809	2.5
169.01736	2.4
169.05327	0.5
171.03281	10.1
171.04774	0.5
173.04837	1.8
175.02802	0.6
177.04370	0.3
177.05867	0.3
179.03795	1.1
181.01764	0.5
181.05325	2.5
183.03287	2.0
183.07011	0.6
185.04849	7.3
187.02759	0.7
187.04294	0.3
187.06422	0.7
189.04338	2.0
189.05789	0.5
191.03796	0.4
191.05852	0.4
193.05386	0.6
194.04863	0.8
195.03302	0.4
195.06927	0.3
197.04851	2.9
199.06407	6.2
199.08183	0.4
201.04387	0.5
201.07945	0.4
203.04008	0.5
203.05869	5.3
203.07518	0.7
205.05417	0.5
205.07332	0.3
206.04926	0.3
207.06880	1.9
207.10651	0.5
208.06580	0.7
209.04773	0.3
209.08495	0.9
211.06406	1.0
213.08012	0.6
215.05919	0.9
215.07689	0.4
217.05443	0.4
217.07423	4.7
217.09293	0.4
219.06892	0.5
219.10605	0.6
221.04829	0.6
221.06604	0.3
221.08607	1.6
222.07889	0.3
223.06442	0.4
225.07997	4.0
226.07381	0.3
227.07594	0.3
227.09515	1.2
229.07524	0.3
231.07037	0.4
233.08540	1.9
235.06439	0.5
235.10081	2.8
237.08009	1.6
237.11598	0.7
239.09537	1.1
241.07462	0.3
242.24779	0.7
243.09166	1.3
245.08487	2.2
245.10689	0.4
249.08029	0.6
251.09526	4.9
253.11115	2.8
255.08989	0.6
261.08057	0.5
263.09518	16.3
264.09808	0.9
267.09109	0.5
269.10614	1.7
271.12073	0.4
274.11148	0.3
281.10587	100.0
282.10834	3.1
299.11636	48.9
300.11978	1.6
304.12207	9.8
304.26242	0.9
305.12476	0.7
307.11792	0.3
322.13315	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	304.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.01869	1.2
55.05508	1.5
56.19756	0.7
57.03431	3.5
58.02936	1.7
58.06590	1.2
60.04292	0.7
60.04526	7.6
61.02925	5.3
69.03430	14.9
69.07066	38.8
71.04985	1.4
71.08632	21.5
72.08160	0.8
72.08948	0.7
73.02903	2.4
77.19613	0.7
79.05508	0.7
79.34073	0.7
80.05064	0.6
81.03417	8.2
83.08604	1.1
84.04485	4.0
85.02905	59.9
86.02428	4.9
87.04471	1.2
87.97565	0.6
91.03963	1.2
96.04480	0.6
96.08128	3.6
97.02262	1.8
97.02894	37.2
97.06520	4.8
97.23855	0.7
98.03210	1.0
99.04445	2.6
103.03941	4.8
107.04955	7.2
109.02877	11.4
110.02415	1.1
114.09167	17.6
115.03939	1.1
124.07589	1.4
127.03922	13.9
135.47133	0.7
136.07553	1.0
138.09129	3.8
142.08633	100.0
143.08994	2.1
145.04951	6.4
150.46440	0.8
156.10193	2.5
166.08595	0.9
171.88925	0.7
180.10268	1.7
184.09685	66.0
185.10046	2.6
208.09712	14.4
209.10077	0.7
220.09714	2.6
238.10620	1.7
250.10710	8.5
260.12622	1.4
268.11691	1.4
286.12891	0.9
304.13950	2.4
305.15756	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	304.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01871	0.8
55.13587	0.4
57.03426	1.4
60.04526	0.6
61.02924	1.3
62.37124	0.5
62.81373	0.4
65.47314	0.6
68.93425	0.5
69.03421	2.9
69.07071	2.4
70.67621	0.5
70.67961	0.6
71.04996	1.4
72.08131	0.5
74.06082	1.1
74.43307	0.5
75.70544	0.5
77.03970	0.5
77.44355	0.4
79.05502	4.5
81.03411	1.4
83.04955	0.5
84.08173	0.4
85.02906	11.8
91.03978	0.8
91.05459	0.7
95.04986	1.9
97.02905	4.4
99.04427	0.4
105.04494	0.9
107.04955	100.0
107.08587	0.8
107.98882	0.5
108.05309	1.5
109.02879	1.2
109.06531	1.7
111.11725	1.1
113.06021	0.6
113.41753	0.5
114.09143	0.6
121.06532	2.9
124.07632	0.5
125.06009	0.7
125.09625	1.4
127.03939	2.3
133.06537	1.4
136.07593	1.8
137.05992	1.1
142.08635	4.5
143.10681	2.0
145.04962	2.8
145.06502	1.6
147.08051	0.6
149.05988	2.1
159.08008	0.4
161.05963	1.7
163.06001	0.8
168.15572	0.4
169.06546	0.6
173.06012	1.1
180.08670	0.6
184.09752	2.3
185.05922	0.8
187.07527	1.2
191.07127	0.8
215.07216	0.5
221.28241	0.5
233.08076	2.4
251.09219	1.4
260.12643	0.8
269.13007	0.6
287.13995	0.7
304.11584	1.3
304.14545	2.0
305.15067	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	304.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
54.43264	0.7
55.01873	1.4
57.03435	3.0
58.02964	1.2
58.06607	1.2
58.47379	0.8
60.04520	7.6
61.02932	3.9
65.29436	0.7
68.94710	0.9
69.03429	10.8
69.07068	31.6
71.04991	1.8
71.08630	18.3
72.08175	0.8
73.02924	2.9
79.05475	0.9
81.03427	6.9
81.07059	1.6
83.08625	1.1
84.04505	2.9
85.02904	53.0
86.02416	5.8
86.09676	1.2
87.04430	1.0
96.04472	1.0
96.08130	3.5
96.42977	0.7
97.02892	35.1
97.06532	4.5
99.04465	3.2
99.17921	0.8
103.03926	4.4
107.04971	5.1
109.02885	10.4
114.09164	15.5
114.09931	1.2
124.07598	2.2
125.09621	1.1
127.03911	11.6
138.09132	2.6
142.08635	100.0
143.08975	1.8
145.04959	6.2
156.10228	2.0
163.06010	1.1
166.08652	0.8
180.10222	1.8
184.09688	60.7
185.09998	1.2
208.09651	12.1
220.09718	1.8
238.10760	2.3
250.10732	8.2
250.76086	1.0
260.12488	0.8
286.12936	1.6
304.11444	2.1
304.14423	1.2
305.10391	1.1
305.15665	3.3
314.48550	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	14.1
55.09488	4.1
56.26354	3.7
57.03430	11.4
65.12526	4.3
65.17489	4.2
67.05507	31.1
69.03426	5.0
69.07069	19.4
70.99596	4.7
75.42588	4.3
79.05489	13.5
81.07058	44.0
83.08602	9.1
83.88025	3.7
85.06551	6.3
91.05463	10.4
93.07033	34.0
95.04977	7.0
95.08610	8.3
97.06527	9.1
105.07018	7.2
106.40046	3.7
107.04958	13.1
107.08589	21.3
109.10126	4.6
113.05991	8.0
117.07089	5.0
119.08567	4.2
120.59708	3.9
121.06491	4.6
121.10102	10.0
135.08017	4.9
135.11673	8.3
137.05911	4.8
145.10043	5.1
149.13202	20.5
159.11679	5.8
173.55760	3.8
177.12663	4.4
186.26427	4.1
189.75934	3.6
195.13853	8.4
244.10226	4.8
269.17462	100.0
270.17755	4.2
287.16336	5.3
304.08826	5.2
304.15973	4.2
305.17401	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	304.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.8
56.04777	0.7
56.05040	10.5
57.07080	6.8
58.06602	6.9
60.04531	4.5
66.95298	0.4
67.05514	1.2
67.92203	0.4
68.05035	0.7
69.03429	0.7
69.07082	2.7
71.08631	4.2
74.06085	10.8
79.05484	1.2
81.07056	1.9
83.08621	1.8
85.10188	1.7
86.06077	1.7
88.07634	34.2
88.54285	0.4
91.05500	1.0
93.07054	1.1
95.08611	1.3
97.06585	0.4
97.10150	0.7
97.28930	0.4
104.07118	1.3
104.99270	1.7
105.07020	1.0
107.04933	0.9
107.08631	0.5
109.06512	0.9
109.10188	0.6
113.06006	1.4
118.08666	6.5
121.06461	0.4
121.10091	0.4
122.08160	6.4
135.08017	0.8
145.10120	0.5
203.77670	0.4
212.71460	0.4
212.79066	0.4
224.23723	0.4
256.26364	33.1
257.26752	1.8
268.26315	0.7
273.18427	0.6
286.27448	2.6
287.20425	6.1
304.15936	1.9
304.28467	100.0
305.17056	1.2
305.20978	1.1
305.28821	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	305.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79107	0.9
55.05498	0.9
56.96578	5.1
63.05400	0.7
64.01607	0.6
67.05122	0.7
67.05499	0.7
69.07086	1.0
71.44050	1.1
74.06078	0.8
75.70399	0.7
81.92577	0.7
84.96052	0.9
86.09730	0.7
88.99159	0.8
98.97595	5.9
101.00901	0.8
103.81422	0.8
107.04968	1.9
108.05326	1.9
109.02922	1.1
110.97619	1.0
111.11724	0.8
116.98650	3.3
119.01975	1.8
124.07640	3.2
125.07931	4.0
128.98640	1.7
130.93314	1.0
134.99681	0.8
142.08653	1.0
143.01917	1.1
143.07002	2.8
143.08157	1.8
146.91797	0.8
146.99728	0.8
158.99683	1.2
159.03326	1.4
161.02948	1.7
164.52704	0.8
172.94319	1.4
177.00734	0.8
188.97165	1.5
190.95448	1.6
191.04024	1.0
199.16830	0.7
203.04182	0.8
219.01797	1.8
219.96735	0.7
220.99762	0.8
232.96539	2.2
237.02879	2.9
245.50362	0.7
250.97563	1.4
279.88620	0.7
305.12140	100.0
306.12579	2.3
323.10101	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.4
54.42646	0.3
55.05504	0.6
56.36705	0.3
65.03942	0.3
67.05505	1.4
69.07066	0.9
69.23756	2.0
71.04999	1.2
77.03912	0.6
77.89664	0.3
79.05491	1.0
81.07059	4.4
83.05009	0.4
85.02882	0.4
85.06544	1.0
91.05479	2.8
93.05788	0.6
93.07050	3.1
94.06572	0.7
95.04976	1.4
95.08604	1.9
96.08137	0.8
97.06542	0.4
97.10159	0.4
105.04539	0.4
105.07022	1.1
107.08584	1.5
108.04469	0.4
108.08134	1.8
109.06545	0.6
109.10162	1.0
119.08617	0.7
121.10152	0.6
122.06027	3.6
123.11703	0.9
124.07584	9.9
125.09650	0.5
126.05479	0.9
133.10182	0.5
135.11699	0.6
136.07574	100.0
137.07918	2.1
137.13235	0.9
138.09068	0.4
140.07059	0.6
143.10616	0.4
145.10097	0.8
149.13234	0.4
150.05493	0.9
152.07066	19.6
155.14311	0.8
164.07060	78.8
165.07384	1.5
170.08138	4.5
171.11632	0.4
173.13263	0.6
176.14337	0.4
182.08133	16.5
183.08450	0.5
201.16267	0.4
215.17909	0.4
222.32094	0.3
287.13904	6.1
305.14780	1.5
305.18027	0.6
305.21484	0.5
305.24493	1.5
306.20584	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.7
67.05501	2.5
69.03417	0.6
69.07066	1.6
69.32082	2.4
71.05003	1.0
79.05484	2.0
81.07037	2.0
83.04987	0.7
83.08577	0.7
91.05008	0.6
91.05496	2.7
93.07050	2.6
95.08613	2.0
97.06480	0.7
105.07049	2.5
107.08606	1.6
109.06509	1.1
109.10169	0.9
109.49777	0.8
110.78622	0.6
117.07005	0.9
119.08603	1.9
121.10140	0.9
122.56851	0.7
131.08543	1.1
133.06554	0.6
133.10129	1.6
135.08076	1.0
143.08554	0.8
145.10133	1.8
147.08072	1.2
147.11685	1.0
149.09686	0.8
153.63776	0.6
161.09679	1.1
163.98381	0.6
165.09128	0.9
172.84843	0.6
231.48251	0.7
235.09306	0.8
238.58087	0.6
245.19118	1.0
273.18463	2.5
273.21329	0.6
287.16354	1.1
287.19977	0.8
305.17258	100.0
305.21002	8.5
305.26678	1.9
306.17703	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1723
Annotation	Discadenine
Peak:m/z	Relative Intensity
55.05502	0.8
57.03430	0.7
58.06617	0.7
60.92245	0.5
67.05495	1.6
69.03421	0.6
71.04974	0.8
79.05503	1.0
81.03407	1.0
81.07050	1.3
88.07636	1.2
91.05475	1.3
93.07030	1.5
95.04958	1.5
95.08615	0.9
105.07028	1.5
107.04950	0.5
107.08583	1.0
109.06545	0.9
109.10161	0.8
119.08566	1.1
120.08134	0.6
129.15134	0.5
132.10130	0.8
133.10158	0.8
135.08044	0.7
143.08484	0.8
145.10101	0.7
147.11671	0.8
161.05969	1.1
171.59637	0.5
173.30223	0.5
182.71794	0.5
214.21707	0.9
219.09901	3.4
220.18111	0.5
258.24335	0.9
287.16229	14.0
295.36649	0.5
305.17239	100.0
306.17578	4.2
306.20755	1.1
306.26416	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05658	0.3
51.70056	0.3
55.05511	0.9
64.08073	0.3
66.99950	0.3
67.05495	0.9
69.07055	0.5
70.50468	0.6
79.05479	0.5
81.07057	1.0
88.07637	1.8
91.05473	0.9
93.07044	0.9
95.05000	0.5
95.08607	0.7
105.07015	0.7
107.04981	0.5
107.08565	0.8
109.02895	0.4
109.06522	0.5
109.10202	0.5
117.07037	0.4
132.10226	0.5
135.08031	0.5
137.06065	0.5
145.10149	0.4
154.05988	0.4
161.06053	0.6
214.21642	2.0
222.69884	0.4
258.24188	0.9
259.16980	0.5
264.14597	0.4
287.16437	2.0
304.28482	0.6
305.17227	100.0
306.17535	4.1
306.26379	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	305.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.1
55.05505	1.2
57.07068	1.2
64.09042	0.7
67.05498	2.1
69.07056	1.5
70.06580	2.8
71.45490	1.0
79.05488	1.8
81.07048	2.5
83.08624	1.7
84.46532	0.7
87.04485	1.0
88.07625	3.4
91.05476	2.7
93.07058	1.6
95.04963	1.8
95.08604	2.0
102.09163	2.0
103.05412	0.9
105.07013	2.4
107.04958	2.0
107.08609	2.0
109.10124	1.4
117.07030	2.8
119.08568	1.6
121.06491	1.4
131.08569	1.4
133.10091	1.5
135.04411	0.9
135.08066	2.0
139.83231	0.7
145.06494	2.1
145.10103	1.3
147.34563	0.9
149.09669	0.9
159.04439	0.7
163.07484	0.8
169.59451	0.9
173.06027	1.2
185.37030	0.7
191.06982	1.8
233.11365	1.3
242.24789	4.5
243.25174	3.8
287.16315	2.5
304.28415	4.3
305.17239	100.0
305.28757	9.4
306.17700	4.4
306.20584	0.9
306.26517	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1747
Annotation	Prosolanapyrone II
Peak:m/z	Relative Intensity
53.03953	2.8
55.01871	8.5
55.05513	8.6
57.07080	3.6
59.68786	2.2
60.94664	2.6
63.66884	2.0
67.05504	23.0
69.03423	3.7
69.04634	2.4
69.07069	9.8
69.67339	7.9
71.05006	3.2
79.05487	22.6
81.03416	3.8
81.07059	39.1
82.98215	2.0
85.06577	2.4
88.07673	2.1
91.05475	15.9
93.07043	30.9
95.04961	31.5
95.08601	13.8
97.06535	13.5
103.05428	2.6
105.04490	1.9
105.07021	14.7
107.04957	28.7
107.08584	14.0
109.02879	100.0
109.06514	37.0
109.10174	4.6
111.04451	3.5
111.08059	15.6
116.57615	2.1
117.07009	9.2
119.04927	2.8
119.08614	7.2
121.06506	19.3
121.10162	2.7
123.08115	2.9
129.07053	2.6
131.08543	8.5
133.06519	5.0
133.10124	7.7
135.08063	9.0
135.11717	13.2
137.05972	13.7
143.08578	5.0
145.06525	7.7
145.10101	10.3
147.08058	6.6
149.09618	8.3
149.13344	3.3
151.07581	2.5
157.10104	3.0
159.08105	3.1
159.11729	12.0
161.06000	10.2
161.09599	30.5
163.07524	5.0
163.11163	21.3
169.10162	4.5
171.08159	2.9
175.11220	7.2
177.05441	2.2
177.12775	14.9
181.10176	2.3
187.11165	19.2
205.12198	23.1
259.17059	6.3
269.15363	2.0
273.18613	2.6
287.16385	44.6
305.17380	14.1
305.21158	9.0
305.28860	4.9
312.23419	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54082	2.6
53.03947	7.6
55.01871	15.3
55.05515	51.3
55.29810	2.5
57.03435	6.9
57.07072	5.9
59.05002	4.9
60.13421	2.5
67.05500	58.4
69.03429	9.2
69.07065	26.9
69.52168	11.8
73.06572	5.6
78.20726	2.4
79.05495	75.8
80.94873	2.6
81.03426	3.9
81.07059	100.0
83.04986	10.7
83.08616	20.9
85.06548	5.2
91.05479	97.9
93.07044	72.9
93.07608	5.3
95.04970	22.6
95.08603	46.7
97.06534	7.7
97.10175	21.7
101.05988	2.8
105.04539	4.5
105.07034	69.2
107.04938	13.1
107.08597	42.2
109.06524	15.6
109.10149	12.1
111.08089	4.6
114.94329	2.3
115.05468	10.3
116.06232	4.0
117.07021	48.1
119.08576	56.2
121.06512	21.4
121.10135	29.3
123.08067	10.4
125.09629	21.3
128.06227	15.8
129.07008	26.1
130.07782	8.6
131.08571	87.8
133.06502	14.1
133.10141	27.2
135.08063	12.7
135.11684	10.3
137.05989	35.5
137.09627	8.3
139.11176	9.6
141.07008	7.7
142.07803	5.5
143.08559	65.8
145.06485	3.7
145.10121	88.5
145.11227	5.5
147.08046	23.2
147.11714	10.0
149.09624	12.9
149.13217	5.1
153.09090	3.0
155.08551	7.1
157.10127	23.2
159.07993	5.3
159.10468	2.9
159.11694	19.1
161.09615	16.9
161.13286	4.5
163.11185	10.5
169.10124	11.6
171.11678	17.3
173.09586	5.4
173.13266	6.8
175.11171	5.1
177.12767	5.6
181.10120	7.4
183.11681	10.7
185.13202	12.9
187.11229	3.2
189.12700	6.7
195.11656	15.0
203.12744	7.4
209.13214	2.9
211.14748	3.4
213.12769	6.6
213.16371	5.1
217.14432	3.0
227.17992	9.5
231.17377	2.9
237.16481	15.3
245.19026	7.9
248.78583	2.7
255.17491	16.2
263.16446	3.8
273.18518	60.3
287.20087	10.4
297.87534	3.0
305.17682	3.3
305.21109	64.1
305.26563	5.2
305.28290	3.2
305.31476	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	305.211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.0
55.01869	13.8
55.05508	58.5
56.05020	2.0
57.03432	30.9
57.07070	3.2
57.60129	1.8
59.05001	2.3
65.03930	2.2
67.05502	53.6
68.05826	4.5
69.03421	5.6
69.07066	16.0
69.97246	3.3
69.97581	4.3
70.06571	2.2
71.04989	4.3
73.06548	2.2
79.05490	51.4
81.03424	4.5
81.07051	55.1
81.07507	3.9
82.07386	4.2
83.04996	7.8
83.08620	22.4
85.05312	1.8
85.06518	11.0
86.96552	1.8
88.07582	2.1
88.99294	1.9
91.05476	65.1
92.05818	2.4
93.07037	27.3
94.07360	2.7
95.04955	5.9
95.08600	23.1
96.08952	4.0
96.70375	2.0
97.06561	4.7
97.10163	30.6
98.06055	12.2
99.08148	2.3
102.03738	1.9
103.05482	2.3
105.03413	5.9
105.04513	2.3
105.07026	32.4
107.04961	11.1
107.08584	32.8
108.08911	2.1
109.06496	14.1
109.10153	19.1
111.08081	5.1
115.05460	3.0
116.06294	2.0
117.07017	38.1
119.04871	1.9
119.08572	59.6
121.06521	5.0
121.10120	9.1
123.04430	3.8
123.08048	5.9
125.09621	39.0
128.06178	3.5
129.06996	13.2
131.08557	34.8
133.06493	5.0
133.10117	12.3
135.08035	20.2
135.11676	4.5
137.05937	17.1
137.09586	4.2
141.06935	2.9
142.07761	2.8
143.08580	15.8
145.10112	31.5
147.08041	40.0
147.11665	4.2
149.09625	4.6
153.09135	11.6
157.10106	11.6
157.12248	5.0
159.08005	2.0
159.11661	10.9
160.91330	2.1
161.09645	10.4
163.07535	2.9
163.11139	2.3
171.10188	2.3
171.11664	5.3
173.13300	4.1
175.11179	3.8
177.12711	2.2
181.10100	3.3
183.11661	5.1
189.12732	2.2
193.12201	2.6
195.11807	2.7
199.11169	1.9
199.14749	5.9
201.12750	4.1
203.12791	31.8
217.15836	19.5
227.17949	4.6
233.15196	3.1
237.16405	5.5
245.19061	2.4
255.17419	12.6
260.69522	1.9
273.18466	100.0
274.18784	5.7
287.19986	5.4
304.31525	4.5
305.17563	6.3
305.21158	46.8
305.26660	81.0
305.31384	19.8
306.21426	3.5
326.33829	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	305.2113
Annotation	17beta-Hydroxy-5alpha-androstan-3,6-dione
Peak:m/z	Relative Intensity
50.50381	0.9
53.03947	2.8
55.01865	9.1
55.05508	17.6
57.03442	5.8
57.07077	2.9
59.05007	2.7
65.03945	6.6
67.05502	62.8
69.03429	3.5
69.07061	8.8
70.14433	1.9
71.08638	1.6
72.04514	10.2
73.06575	1.2
79.05488	35.3
80.94883	1.5
81.03422	4.8
81.07053	60.3
83.04972	13.5
83.08603	2.6
85.06534	3.1
91.05478	28.6
92.05825	1.4
93.07046	28.5
95.04965	100.0
95.08601	18.6
96.05352	1.1
97.06529	5.5
97.10212	1.6
103.05497	1.3
105.04506	1.4
105.07033	21.1
107.04949	14.0
107.08597	16.1
109.02931	1.1
109.05758	2.4
109.06512	48.7
109.10151	5.4
111.08088	3.8
115.05490	3.1
117.06980	9.5
119.08594	9.5
121.06493	10.7
121.10146	7.2
123.08061	4.5
123.11694	2.2
125.09644	2.4
128.06264	1.6
128.10706	1.9
129.07018	4.4
131.08557	17.2
131.09454	1.7
133.06502	3.7
133.10130	8.2
135.08038	25.2
135.11699	7.2
136.08391	1.1
137.05989	4.9
137.09595	1.8
141.06979	1.1
143.08559	9.5
145.06471	1.8
145.10100	11.5
147.08095	7.8
147.11693	4.7
149.09621	7.0
149.13260	4.5
151.11310	1.2
155.08595	2.0
157.10172	4.4
159.08102	1.6
159.11682	5.5
161.09616	7.3
163.11220	4.0
169.10127	1.7
170.15392	1.2
171.07980	1.2
171.11713	4.6
173.09584	1.9
173.13326	2.7
175.11250	3.0
177.12778	4.0
185.13290	2.5
187.11232	2.3
189.12708	1.7
205.12238	2.5
211.14801	1.3
213.16437	1.1
217.15904	3.1
221.15404	7.4
227.18016	1.4
237.16338	2.6
245.19084	2.4
255.17473	3.7
273.18478	33.1
274.18811	2.0
305.12320	1.2
305.21152	26.8
305.24323	1.1
306.17038	1.2
306.21356	1.3
306.27945	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	305.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.8
55.01869	2.5
55.05513	8.6
56.04499	0.6
57.03432	2.4
57.07067	2.4
59.04994	0.9
65.03947	3.5
67.05502	49.5
69.03439	1.7
69.07061	5.2
69.20024	4.0
71.04974	0.7
71.08635	1.1
79.05488	12.6
81.03407	1.5
81.07056	14.5
83.04972	1.2
83.08625	1.4
85.06528	1.0
89.06033	2.0
91.05476	15.3
93.07045	14.7
95.04966	100.0
95.08602	8.3
96.05293	2.0
97.06529	5.4
98.23453	1.7
99.08046	0.9
103.05465	0.8
105.07028	11.0
107.04953	8.4
107.08602	5.7
109.06493	4.9
109.10167	2.2
111.08092	2.4
115.05408	0.8
116.06250	1.3
117.07004	4.1
119.08571	5.5
121.06496	4.9
121.10109	4.4
123.08063	2.1
125.09610	2.1
128.06120	0.8
129.06999	2.5
131.08591	8.7
133.06493	3.6
133.10120	3.7
135.08064	2.9
135.11707	5.3
137.05963	3.0
137.09590	0.8
143.08585	4.5
145.06488	1.0
145.10138	4.0
147.08049	5.0
147.11667	1.6
148.91869	0.8
149.09662	2.3
149.13286	1.6
151.09688	1.1
157.10172	2.0
159.11653	1.8
161.09650	2.2
163.07645	1.2
163.11223	2.7
165.12749	0.8
169.10168	1.6
171.11705	0.9
177.12738	2.5
179.10669	4.7
187.11180	2.1
195.11673	0.8
199.14716	0.7
205.12199	1.8
227.17897	1.3
237.16528	0.8
245.19104	2.2
255.17487	1.0
273.18460	29.1
274.18683	1.5
305.12192	1.0
305.21103	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2477
Annotation	14,15-Dihydro-16-helicallenoic acid
Peak:m/z	Relative Intensity
53.03936	1.8
54.07711	1.2
55.05510	19.5
56.96119	1.3
57.07069	3.3
65.03922	1.4
67.05502	38.8
69.03428	2.3
69.07071	17.0
72.04518	23.6
73.04850	3.9
77.03921	1.9
79.05492	69.9
80.94875	1.7
81.07053	49.7
83.04997	1.9
83.08626	12.4
85.06549	2.9
87.04479	1.4
91.05480	27.2
92.05827	2.0
93.07043	100.0
94.07362	3.3
95.04974	7.3
95.08608	35.9
97.06516	4.9
97.10149	5.0
99.08109	1.4
101.06049	2.0
105.04510	3.4
105.07037	19.7
106.07352	1.8
107.08595	60.1
109.06525	3.4
109.10150	15.2
111.08098	2.0
115.07555	1.5
117.07003	5.1
119.08575	14.2
121.10144	53.2
123.08072	3.5
123.11703	5.5
125.09632	2.9
127.11142	1.4
129.01872	2.6
129.06993	2.1
131.08551	9.3
133.10136	17.2
135.08066	2.0
135.11688	64.3
136.12057	1.4
137.09639	1.8
143.08565	3.0
143.10655	1.8
145.10092	9.4
147.11693	15.3
148.12061	1.7
149.09584	3.8
149.13252	39.4
150.57132	1.2
157.10124	2.2
159.11699	6.9
161.13272	13.8
163.11218	3.8
163.14821	16.6
165.12741	1.4
167.46082	1.3
171.11688	4.8
173.13222	3.3
175.11169	2.2
175.14827	10.5
176.59312	1.2
177.12762	4.6
177.16333	2.6
185.13261	4.4
189.12663	2.3
191.14240	1.6
199.14749	3.0
203.14342	2.3
213.16377	3.3
217.19525	5.4
223.16937	2.6
231.21223	1.8
241.19508	11.0
249.18340	2.6
249.20721	1.7
259.20541	14.7
263.20111	1.3
305.24777	66.1
305.26956	13.4
306.25098	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	306.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
54.30149	1.0
59.68075	1.1
69.03423	1.6
75.86311	1.0
81.03426	6.3
81.07069	2.3
82.79668	1.0
85.02892	2.8
85.45370	1.1
91.05483	2.4
95.04967	9.9
97.02898	1.2
98.23515	2.4
99.04475	1.4
105.04463	1.2
107.07289	1.1
109.02878	4.5
109.06528	2.0
123.04411	3.6
124.02959	1.0
130.04965	1.2
135.04410	2.8
137.05946	2.0
140.20277	1.1
150.09125	5.3
151.03914	12.9
151.09923	12.3
153.87985	1.1
163.03883	7.5
164.06935	1.2
165.05473	100.0
166.05795	1.1
179.07100	1.0
184.02721	1.1
193.04955	4.6
207.06477	8.3
209.10532	1.6
225.07593	5.3
239.09135	19.6
306.16922	5.1
306.20618	13.9
307.08270	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	306.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	0.4
68.79133	0.2
69.07058	0.9
69.95265	0.5
69.95601	0.5
79.05487	0.4
81.07049	0.7
91.05454	0.4
93.07070	0.5
94.04162	1.5
95.08598	0.6
100.07584	0.4
107.08593	0.7
109.10149	0.3
114.09167	0.7
122.03640	6.7
126.09150	0.3
133.10130	1.2
135.11685	1.0
137.05972	100.0
138.06314	2.8
151.11230	0.6
153.12737	0.8
170.15399	2.2
181.48402	0.3
182.15416	3.1
183.87367	0.3
281.86887	0.3
306.20569	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.2
53.03948	0.4
55.01863	0.6
55.05513	7.6
57.03430	0.5
57.07071	1.0
63.47104	0.2
65.03930	0.4
67.05504	10.3
69.03430	0.3
69.07068	7.5
70.06590	0.3
70.07389	0.2
71.04989	0.3
71.08630	0.3
72.04506	0.3
72.08099	0.2
73.06562	0.3
79.05495	2.9
80.94860	0.2
81.07056	8.9
81.93620	0.1
82.06570	0.3
83.04984	0.4
83.08619	2.6
84.80722	0.2
85.05283	2.4
85.06561	0.3
86.06079	1.1
91.05479	1.8
93.07040	2.7
95.04978	0.6
95.08607	6.0
96.08108	0.4
97.06522	0.4
97.10179	1.0
97.11588	0.2
98.06052	14.4
105.07024	1.7
107.08589	1.6
108.08092	0.2
109.06551	0.6
109.10162	1.9
110.09696	0.4
111.08075	0.2
112.07586	1.9
117.07015	0.5
119.08582	1.4
121.10143	1.0
123.08060	0.4
123.11727	0.5
124.07572	0.3
124.11222	0.4
125.08379	0.3
126.09150	0.7
131.08548	0.7
133.10133	0.8
135.11678	0.5
137.05975	1.6
137.09549	0.3
137.13268	0.3
138.09132	0.5
140.10738	0.5
143.08647	0.2
145.10126	0.5
147.11671	0.7
149.09586	0.4
149.13312	0.3
151.11105	0.2
152.10678	0.3
154.12280	0.8
159.11673	0.5
161.13235	0.5
166.12245	0.3
168.86920	0.2
170.15320	0.2
173.13239	0.3
175.14763	0.2
177.12769	0.2
180.13881	0.3
182.15414	0.4
185.13228	0.3
194.15366	0.2
196.16994	0.7
208.16983	0.8
210.18546	0.3
219.17442	0.8
222.18539	0.7
224.20097	0.4
235.16985	0.3
236.20090	0.5
250.21544	0.3
257.19006	0.4
261.03036	0.5
275.20081	1.8
289.21408	0.3
306.27899	100.0
307.22968	0.9
307.28223	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	307.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01860	1.6
55.76424	0.6
56.96553	1.8
57.03432	1.7
58.99870	0.6
69.03419	3.9
71.04973	2.2
81.03419	4.5
82.99853	3.4
85.02901	7.5
95.81032	0.7
97.01405	2.4
97.02895	7.3
98.97588	2.3
99.04436	3.2
101.00877	48.6
102.00994	1.0
103.02437	1.4
109.02879	4.0
113.00861	5.6
115.02438	15.5
117.03996	1.1
119.01917	100.0
120.02023	3.3
121.03497	1.0
126.98763	1.6
127.02466	1.5
127.03906	16.2
128.98756	0.8
129.03975	6.1
131.01900	13.3
133.03462	18.3
135.05034	1.7
137.02950	13.0
141.32224	0.8
142.03514	1.1
143.01897	11.5
143.08151	1.1
144.08490	1.2
144.99841	3.9
145.03464	5.7
145.04907	4.4
147.01430	1.1
147.05014	5.7
149.02950	3.9
151.04506	2.1
155.01855	2.5
157.03482	5.9
159.01372	4.6
161.02963	16.5
163.04611	1.6
168.99818	14.6
171.01396	1.4
172.99300	1.5
173.02983	6.3
175.00891	0.8
175.04466	3.7
177.01028	1.6
177.02441	11.1
177.03894	1.3
183.99408	0.8
185.02992	1.2
186.07701	1.0
186.99176	1.7
187.00879	34.7
187.04510	1.7
188.01118	1.4
189.02414	2.5
191.02464	0.9
191.03932	3.8
196.99319	10.3
199.00926	1.0
199.04410	1.3
201.02454	2.2
203.03978	1.5
205.00081	0.8
205.01897	11.5
215.00362	40.3
216.00601	1.2
217.01999	2.5
218.04890	0.9
219.01825	1.5
219.03552	12.7
221.05109	2.4
229.01927	25.0
230.02112	1.2
233.01456	3.9
237.04582	1.4
247.02986	79.5
247.06755	2.9
248.03267	3.9
257.81757	0.8
261.03030	10.8
265.01581	1.0
265.04037	13.6
265.07684	4.6
270.04654	0.9
283.05002	1.3
289.04010	11.9
290.04553	1.0
307.04929	10.2
307.08170	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	307.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05536	0.4
56.96566	1.0
69.03439	0.7
70.19486	0.6
71.30530	0.3
73.09638	0.2
75.04759	0.2
78.57813	0.3
78.80565	0.3
81.03405	0.6
82.99862	0.5
84.08138	0.4
85.02892	0.7
97.02869	0.3
98.22778	0.4
98.97584	2.8
101.00894	4.4
114.41088	0.3
115.02449	0.8
116.98641	0.6
119.01923	7.1
119.02761	0.4
127.03886	1.1
128.98636	0.4
131.01888	0.6
133.03482	0.9
134.99747	0.3
137.02966	0.7
140.98811	0.6
143.01921	0.7
145.03523	0.5
146.91875	0.5
147.04933	0.3
147.92451	0.3
157.03499	0.4
158.99876	1.8
161.02948	0.9
163.03905	0.6
168.99907	0.4
173.02948	0.4
175.03055	0.7
176.99467	0.6
177.00967	8.7
177.02504	0.7
178.01060	0.8
182.99850	0.4
183.01260	0.5
187.00893	0.7
191.03958	0.3
196.99232	0.3
201.00922	2.4
205.01935	0.4
215.00403	1.0
217.04053	2.3
218.04074	0.3
219.02008	17.2
220.02139	1.2
225.00771	1.8
229.01874	0.8
243.02002	10.9
244.02138	1.1
247.03012	1.8
261.03070	100.0
262.03195	10.0
263.03552	0.4
264.52136	0.3
265.02710	0.3
266.03577	0.8
284.04626	3.6
289.03912	0.3
303.03781	0.6
307.08133	1.3
307.12549	1.2
307.15839	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.079
Annotation	Unknow
Peak:m/z	Relative Intensity
68.90138	4.8
69.79863	16.3
81.03436	5.1
84.80450	4.4
105.85307	4.3
119.01907	5.7
127.03914	13.8
247.57338	4.8
307.07794	100.0
312.53494	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	307.1289
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
53.03928	0.4
55.01860	1.3
61.31253	0.2
67.05473	0.3
69.03425	0.6
69.07072	0.4
69.27760	1.2
75.41814	0.2
75.86169	0.2
79.05487	0.5
79.18060	0.3
81.03415	3.1
85.02875	0.6
86.06062	2.2
91.05518	0.2
93.07058	0.3
94.06543	0.5
95.04954	0.4
96.04501	0.5
96.08104	0.3
98.06031	0.7
99.18455	0.3
102.05525	0.3
106.06563	0.6
107.08599	0.8
108.04475	1.0
109.02870	3.8
109.10169	0.3
110.06038	0.3
116.16236	0.2
117.03386	0.4
120.04436	0.3
121.06538	0.3
122.06023	1.9
123.04408	0.6
124.07642	0.5
129.07054	0.3
130.05002	1.3
131.08463	0.4
135.04468	0.6
135.08035	1.4
136.07544	0.9
137.04916	0.2
138.05460	0.3
140.07080	1.6
144.08067	0.3
145.02798	0.5
146.05998	0.7
148.03877	0.4
148.07597	0.5
150.05475	0.5
150.09126	0.5
151.03854	0.4
153.07016	0.3
156.08107	0.6
158.09682	0.4
160.07535	1.2
162.09096	0.3
163.03900	4.0
163.08644	1.1
164.07053	0.7
167.06915	0.2
168.06529	1.6
170.09612	0.4
172.07558	0.5
173.10703	0.6
174.05484	0.4
174.09140	2.0
176.07045	0.5
177.06554	0.4
177.10225	1.0
178.08620	12.8
179.08900	0.5
182.08109	0.7
184.06084	0.4
184.07553	1.3
187.08691	1.0
188.07059	3.1
188.10709	0.4
189.10254	0.4
191.08206	0.8
193.09727	0.4
196.09708	0.5
198.09192	1.7
200.10863	0.3
201.06575	0.4
201.10255	2.9
202.08601	4.3
204.10062	0.5
205.09766	3.2
206.08115	2.3
208.09682	1.6
211.08830	0.4
212.07048	1.1
212.08917	0.3
215.11868	0.4
215.14806	0.3
216.10301	2.6
217.09747	0.5
218.08179	0.4
219.07678	1.1
219.11307	4.7
220.09737	1.8
225.10196	0.4
226.08644	1.7
226.10619	0.4
229.09755	3.6
230.08102	2.7
234.10056	0.3
243.11322	1.3
244.09679	3.5
247.10774	11.7
248.09239	0.8
254.08122	0.6
261.12357	1.5
262.10712	1.6
265.11826	11.2
266.12070	0.5
271.10703	1.7
272.09045	1.7
289.11813	13.2
290.09961	0.7
307.12857	100.0
308.13251	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	307.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01869	1.0
55.05514	3.3
57.03429	1.3
59.04994	0.4
61.34560	0.4
64.91402	0.4
65.25016	0.4
67.05501	2.9
69.03416	0.8
69.07087	2.2
69.07394	0.5
71.05000	0.5
71.21541	0.6
79.05493	4.2
81.03421	2.2
81.07063	5.4
83.04967	1.4
83.08623	1.4
85.06556	0.7
91.05481	3.0
93.07034	3.4
95.04408	0.3
95.04938	1.9
95.08205	0.3
95.08607	3.3
96.16174	0.3
97.06518	2.4
97.10150	1.3
98.98473	0.8
105.07042	3.2
107.04944	1.3
107.08599	2.6
109.02882	2.7
109.06527	3.0
109.10161	1.8
111.08124	0.7
111.85667	0.4
113.06019	0.8
117.07023	1.4
119.08596	2.5
121.06514	3.4
121.10110	1.5
123.04439	0.5
123.08068	1.6
123.11719	1.1
125.09615	1.2
129.07024	0.9
131.08554	1.2
133.06525	0.7
133.10136	1.1
135.08058	1.4
135.11725	0.9
137.05983	0.4
137.09590	0.7
137.13155	0.4
145.06479	0.5
145.10136	1.2
147.08058	1.3
147.11690	0.8
149.09599	0.9
149.13275	0.5
151.07579	0.5
151.11200	0.5
159.08061	2.4
159.11728	0.9
161.09578	0.7
163.03889	0.5
163.07602	0.9
163.11151	0.4
171.11688	0.7
173.09598	0.9
173.13347	0.6
177.09138	0.8
185.09586	0.5
189.11212	0.6
191.10690	0.6
205.12248	0.5
233.15428	0.8
243.17628	0.5
247.09639	0.5
253.15919	0.8
261.03006	0.9
261.18591	1.0
271.16919	1.5
285.48318	0.5
289.18024	5.5
289.25006	0.5
292.07120	0.6
307.15164	100.0
307.26501	1.4
308.15509	4.4
308.18753	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1518
Annotation	5-Oxolasiodiplodin
Peak:m/z	Relative Intensity
53.03941	0.4
55.01869	1.0
55.05514	3.3
57.03429	1.3
59.04994	0.4
61.34560	0.4
64.91402	0.4
65.25016	0.4
67.05501	2.9
69.03416	0.8
69.07087	2.2
69.07394	0.5
71.05000	0.5
71.21541	0.6
79.05493	4.2
81.03421	2.2
81.07063	5.4
83.04967	1.4
83.08623	1.4
85.06556	0.7
91.05481	3.0
93.07034	3.4
95.04408	0.3
95.04938	1.9
95.08205	0.3
95.08607	3.3
96.16174	0.3
97.06518	2.4
97.10150	1.3
98.98473	0.8
105.07042	3.2
107.04944	1.3
107.08599	2.6
109.02882	2.7
109.06527	3.0
109.10161	1.8
111.08124	0.7
111.85667	0.4
113.06019	0.8
117.07023	1.4
119.08596	2.5
121.06514	3.4
121.10110	1.5
123.04439	0.5
123.08068	1.6
123.11719	1.1
125.09615	1.2
129.07024	0.9
131.08554	1.2
133.06525	0.7
133.10136	1.1
135.08058	1.4
135.11725	0.9
137.05983	0.4
137.09590	0.7
137.13155	0.4
145.06479	0.5
145.10136	1.2
147.08058	1.3
147.11690	0.8
149.09599	0.9
149.13275	0.5
151.07579	0.5
151.11200	0.5
159.08061	2.4
159.11728	0.9
161.09578	0.7
163.03889	0.5
163.07602	0.9
163.11151	0.4
171.11688	0.7
173.09598	0.9
173.13347	0.6
177.09138	0.8
185.09586	0.5
189.11212	0.6
191.10690	0.6
205.12248	0.5
233.15428	0.8
243.17628	0.5
247.09639	0.5
253.15919	0.8
261.03006	0.9
261.18591	1.0
271.16919	1.5
285.48318	0.5
289.18024	5.5
289.25006	0.5
292.07120	0.6
307.15164	100.0
307.26501	1.4
308.15509	4.4
308.18753	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
63.24394	0.3
67.05503	0.6
69.03426	1.2
69.07063	0.6
69.16219	0.4
70.75114	0.3
70.95201	0.7
71.15775	0.4
76.79258	0.3
77.03923	0.6
79.05505	1.2
81.03426	5.6
81.07050	2.4
83.08628	0.6
87.04479	1.9
89.03912	0.4
91.05496	1.2
93.07044	1.4
95.04997	0.8
95.07343	0.6
95.08599	1.4
96.08118	0.5
98.28500	0.3
100.53107	0.3
105.07040	0.5
107.04974	0.5
107.08587	0.7
108.93981	0.3
109.02876	3.2
109.06543	0.6
109.10138	0.5
111.08061	0.3
117.03407	0.7
119.08598	0.7
120.08121	0.6
122.06039	2.1
123.06792	1.4
123.11691	0.4
124.07597	7.2
125.02263	0.4
126.05558	0.4
126.09169	4.7
127.03918	0.4
130.05020	0.5
135.04413	1.2
136.07578	52.6
137.07916	1.5
138.09142	51.2
139.09450	1.2
140.07071	1.1
145.02849	1.0
146.06024	0.4
150.05562	0.6
151.03880	0.4
152.07071	15.3
152.10304	0.5
163.03909	8.1
164.07068	100.0
165.07430	3.0
166.08611	0.4
170.08121	5.7
178.08678	1.0
182.08128	23.4
183.08319	0.5
203.72986	0.3
214.94646	0.3
222.07712	0.4
289.15475	5.3
307.07922	3.7
307.16336	2.6
307.20877	0.7
307.26245	0.4
308.11447	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1905
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03939	5.3
53.14675	2.2
55.01884	11.4
55.05515	35.6
56.34408	2.1
57.03440	31.5
57.07058	2.5
65.03953	3.0
67.05507	40.4
67.93162	2.1
69.03423	5.0
69.07072	15.5
71.05000	5.0
71.65425	1.9
79.05112	2.9
79.05502	37.4
80.66359	2.0
81.03408	12.4
81.07059	41.4
83.04988	27.6
83.08625	13.4
85.06531	6.3
89.39710	2.1
91.05482	42.2
93.07047	37.4
95.04967	22.8
95.08610	24.7
97.06540	38.3
97.10172	16.3
98.98463	4.6
99.04430	3.9
99.08089	3.3
103.05479	3.9
105.04514	2.6
105.07034	39.1
107.04955	23.0
107.08597	22.6
109.06528	22.3
109.10174	15.2
111.04446	7.8
111.08050	6.5
113.05983	4.3
115.05453	2.6
117.07007	18.2
119.08577	32.9
121.06512	29.6
121.10168	12.5
123.04414	5.0
123.08068	10.5
123.41484	2.1
125.09617	11.7
128.06212	3.4
129.06987	9.5
131.08571	22.1
133.06552	10.6
133.10149	11.4
135.04445	2.3
135.08037	15.5
135.11681	4.6
137.05998	5.2
137.09586	6.1
139.07556	2.9
139.11244	2.3
143.08537	6.5
145.06479	8.8
145.10110	17.2
147.08083	10.2
147.11697	10.3
149.06003	2.8
149.09631	10.5
149.13303	3.2
151.07536	7.0
153.09079	3.6
155.01035	5.3
155.08517	5.7
156.09276	2.7
157.10083	4.5
159.08057	25.8
159.11691	9.2
161.09622	11.2
161.13280	4.0
163.07527	6.1
163.11194	7.1
165.09155	6.2
167.08609	2.2
169.10112	5.1
171.07994	2.2
171.11670	4.8
173.09621	8.6
173.13255	5.7
175.11165	8.2
177.09122	6.0
177.12743	5.0
181.10141	2.1
183.11681	4.9
184.58983	2.1
185.09624	3.2
187.11185	2.7
187.14828	4.4
189.11301	4.1
189.12669	4.3
191.10684	2.8
193.12178	5.1
194.24409	2.2
197.13297	4.7
199.11174	2.7
205.15909	5.2
215.14339	8.5
215.17912	3.2
219.13782	3.6
225.16356	3.8
233.15373	12.2
243.17479	7.8
253.16042	4.6
261.03101	10.3
261.18497	19.8
271.16870	19.3
275.20050	8.4
279.19717	3.6
289.18011	100.0
289.21365	5.1
290.18176	4.1
307.19046	56.3
307.22507	9.0
308.18936	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	307.1903
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
51.60617	1.5
53.03938	3.6
55.01869	12.3
55.05509	48.1
57.03437	44.3
60.87748	1.7
67.05165	2.4
67.05504	33.0
69.03416	2.2
69.07069	8.1
69.98763	5.1
79.05490	37.6
81.03439	4.2
81.07052	21.0
83.04980	5.4
83.08624	16.4
85.06541	2.6
91.05476	25.2
93.07034	15.3
95.04963	7.2
95.08599	7.6
97.06539	3.6
97.10170	29.9
105.07012	14.2
107.04952	18.5
107.08583	20.2
109.06494	7.6
109.10168	9.8
111.08090	2.2
117.07024	11.6
119.08568	15.7
121.06482	9.5
121.10149	2.4
123.04382	1.9
125.09627	25.8
128.06218	1.9
129.06984	5.0
131.04918	4.9
131.08575	9.7
133.06488	3.5
133.10121	3.8
135.08037	19.1
137.09651	3.9
141.07005	2.9
143.08545	3.7
145.06465	3.8
145.10147	4.6
147.08014	9.5
152.46933	1.6
153.09073	8.1
155.08559	2.0
157.10143	2.5
159.08054	58.9
160.08777	3.5
161.09592	6.2
163.07547	6.6
168.39180	1.7
169.10144	2.4
171.10143	3.4
171.11568	1.7
173.09642	6.7
173.13216	2.3
177.09062	2.6
185.09581	5.5
187.14833	6.6
189.11218	11.2
193.12332	2.0
204.09973	1.7
205.15810	1.6
211.11151	1.7
215.14380	13.2
225.16203	2.3
233.15399	21.1
235.15155	1.8
243.17502	5.9
253.15855	11.6
261.18472	2.5
271.16925	34.7
272.17261	2.2
289.17978	100.0
290.18372	5.8
307.18860	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	307.1902
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03950	4.3
55.01872	27.0
55.05509	54.5
57.03439	85.9
57.07056	4.1
59.04990	7.1
59.90575	2.7
65.03909	4.0
67.05507	83.7
67.05863	4.9
69.03411	5.5
69.07072	36.8
70.07825	8.9
71.04985	10.1
71.08627	4.6
79.05042	6.2
79.05489	75.4
81.03431	7.4
81.07056	80.1
81.07506	5.8
82.07384	3.4
83.04980	72.2
83.08604	22.5
83.48523	3.0
85.06538	10.7
91.05470	86.3
92.14067	2.9
93.07043	69.5
94.07378	6.5
95.04964	29.1
95.08608	61.9
96.08949	3.9
97.06532	34.3
97.10176	12.4
98.97574	3.3
98.98444	4.4
99.04445	7.9
99.08070	7.5
103.05463	3.6
105.07028	58.7
107.04951	92.6
107.08593	66.4
108.05802	4.3
109.06528	35.5
109.10159	27.8
110.06857	5.5
111.04440	51.6
111.08062	6.4
113.06006	5.9
117.07017	30.3
119.06108	3.2
119.08570	51.3
121.06514	18.7
121.10149	19.9
123.08076	16.3
123.11704	4.4
125.05991	9.9
125.09583	14.7
128.06274	3.9
129.07025	12.0
131.08546	29.8
133.06506	15.5
133.10129	33.7
135.08064	32.8
135.11707	19.3
137.05971	39.5
137.09621	14.0
138.06284	19.5
139.07568	7.7
141.05499	3.1
141.06955	7.4
141.92194	2.8
143.08580	12.4
145.06476	9.2
145.10121	34.1
147.08067	14.6
147.11659	14.7
149.05984	10.6
149.09604	25.4
149.13252	9.9
151.07547	10.3
151.11192	10.2
153.09065	4.7
155.08574	9.5
157.10139	11.9
158.07298	3.5
159.08064	21.0
159.11716	20.9
161.09558	10.8
161.13268	9.6
163.07582	14.6
163.11180	18.3
165.09056	7.8
165.12730	18.5
166.13109	22.3
169.10109	8.4
171.11697	10.8
173.09671	8.8
173.13286	13.5
177.09192	3.9
177.12761	25.1
178.13463	4.1
179.06953	4.3
179.14247	3.9
183.11758	7.2
187.11195	6.5
187.14810	10.6
189.08902	3.9
189.12712	6.4
197.13213	8.9
203.12688	4.8
205.15901	16.0
215.14435	16.7
225.16344	7.8
229.19458	5.6
233.15384	43.4
243.17401	15.9
247.20609	6.9
253.15862	6.2
257.18927	9.9
261.03036	10.2
261.18488	33.2
262.22580	3.3
263.20035	5.0
271.16956	22.3
271.19510	3.2
275.20056	66.0
279.19653	7.2
289.18011	100.0
289.21432	8.6
290.18643	6.6
290.21930	24.4
307.18961	20.7
307.22601	27.7
307.24927	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	307.1905
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
50.65223	0.7
51.27399	0.8
53.03942	7.1
55.01647	1.0
55.01874	8.4
55.05511	40.9
57.03437	5.3
57.07066	2.4
59.05001	1.5
65.03948	1.7
67.05506	23.6
69.03431	2.2
69.07065	13.1
69.18595	4.0
71.05000	1.9
71.08638	1.5
73.06536	1.0
77.03928	1.2
79.05495	23.2
80.05020	1.2
81.03416	14.3
81.06559	1.4
81.07051	30.6
83.04980	100.0
83.08625	6.3
84.05302	2.0
85.06524	2.4
87.93756	0.8
88.91995	0.8
91.05471	22.2
93.05763	1.2
93.07050	22.7
94.06565	1.0
95.04964	13.4
95.05535	1.4
95.08596	16.5
97.06535	4.2
97.10173	5.4
99.04456	5.6
99.08099	1.7
105.03371	1.5
105.04471	1.1
105.07024	19.0
106.06573	2.5
107.01348	1.4
107.04937	12.3
107.08588	12.8
108.08119	1.3
109.02906	1.3
109.06515	12.2
109.10150	4.0
111.04444	5.4
111.08084	3.5
115.05465	1.0
117.07033	8.1
119.04925	1.7
119.08578	9.2
121.02868	7.2
121.06498	6.8
121.10136	6.8
123.04432	5.1
123.08067	6.6
123.11713	1.2
125.05981	6.0
125.09637	2.6
128.06235	1.2
129.06993	2.8
131.04941	1.0
131.08568	11.1
133.06511	3.2
133.10126	7.2
135.04411	3.0
135.08081	5.8
135.11668	5.8
137.05977	2.7
137.09612	3.8
137.13216	1.0
138.12833	1.0
139.07532	1.7
141.06995	4.0
143.08559	3.4
145.06473	5.2
145.10120	9.4
147.08011	5.9
147.11693	4.3
148.11227	8.6
148.99281	0.9
149.05991	4.3
149.09639	3.7
149.13261	3.2
151.07527	3.3
151.11137	1.8
155.08531	1.5
157.10098	2.8
159.08028	5.1
159.11688	8.9
161.09656	3.9
161.13284	3.4
163.07544	10.3
163.11179	10.6
165.09138	1.4
165.12756	28.8
166.13033	1.7
169.10167	5.5
171.11676	3.5
173.09605	2.1
173.13309	1.7
175.11180	1.6
176.14380	2.0
177.09122	3.1
177.12735	12.2
179.10664	1.2
179.14355	2.0
183.11678	1.4
186.12889	0.8
187.11205	5.6
187.14745	1.5
189.09151	0.8
189.12743	2.9
191.14290	1.9
195.13858	1.7
197.13252	1.1
201.12851	1.1
201.16324	1.2
204.13881	1.8
205.12282	7.0
205.15933	3.1
207.13770	5.8
211.14789	1.0
215.10664	2.4
215.14450	1.3
222.15025	3.9
223.13348	2.4
225.16342	2.4
229.19678	0.8
233.11740	15.0
233.15321	7.3
241.14381	1.5
243.17451	4.8
253.15817	3.4
261.03162	1.7
261.18500	10.2
261.21176	1.1
261.22195	0.8
262.18570	0.9
271.16898	17.6
271.20053	1.4
272.17236	1.4
275.20074	4.7
279.19623	2.0
289.18005	72.6
289.21460	6.0
290.18210	3.0
290.21149	8.3
307.19019	28.7
307.22681	15.3
307.28290	3.6
308.19211	1.6
308.22379	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	307.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
54.07378	1.8
55.01876	26.9
55.05510	36.8
57.03435	12.8
59.05002	5.8
67.05504	44.8
69.03429	3.5
69.07072	25.6
69.68614	4.7
69.69006	5.1
70.04086	3.7
70.47566	1.7
71.04993	5.5
71.08635	2.6
73.06535	2.4
75.90084	2.1
77.03931	2.7
79.05492	56.6
81.03419	8.9
81.07059	51.7
83.04982	24.7
83.08608	17.9
85.06544	7.5
91.05482	33.5
93.07040	42.8
95.04988	19.1
95.08620	36.6
97.06525	35.0
97.10168	20.7
98.23354	2.3
98.98454	3.6
105.07027	42.7
106.07384	2.6
107.04954	14.6
107.08590	68.6
109.06509	14.6
109.10148	17.5
111.04469	3.2
111.08058	5.4
117.06975	11.4
119.08572	25.4
121.02870	5.0
121.06477	11.6
121.10138	21.3
123.04459	3.2
123.08064	7.9
123.11712	5.0
125.09640	20.4
131.08539	13.3
133.10138	27.5
135.08041	22.7
135.11688	12.2
137.05945	14.8
137.09608	9.6
137.13287	3.1
138.06305	11.4
143.08578	5.6
145.06517	4.0
145.10129	19.2
147.08064	3.7
147.11693	18.8
149.09616	19.7
149.13254	7.5
151.11198	7.1
153.09116	9.0
157.10164	4.7
159.08105	5.1
159.11707	13.7
161.09596	2.9
161.13225	7.5
163.07524	15.6
163.11176	9.4
164.92128	2.4
165.12775	3.3
167.10648	2.2
169.10187	2.8
171.11638	4.4
173.09598	2.3
173.11879	2.8
173.13275	9.5
175.11191	3.6
177.12727	5.9
183.11755	2.7
185.13240	3.1
187.11330	3.5
189.11223	2.8
191.10754	2.0
191.14357	2.7
193.12260	5.2
196.41389	2.0
201.12733	2.4
203.12808	16.3
207.13898	2.7
215.17979	4.9
219.17467	6.3
229.19571	6.5
233.15465	2.5
235.16815	2.4
239.17969	6.7
243.17432	2.4
247.20546	7.7
257.19055	11.6
261.03040	7.6
261.18329	5.2
271.16928	6.2
275.20074	100.0
276.20425	4.8
289.17978	32.7
289.21579	12.9
290.21777	3.0
307.18881	23.5
307.22693	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
52.73971	1.3
53.03942	3.4
53.30674	1.3
55.01870	19.8
55.02327	1.3
55.05510	30.0
56.72918	1.4
56.89431	1.2
57.03435	5.3
57.07075	2.6
59.05003	1.5
65.03941	3.9
67.05160	2.6
67.05505	40.4
69.03423	3.1
69.07069	18.8
70.40495	2.0
70.40816	2.2
71.05000	2.3
79.05490	43.1
81.03419	8.3
81.07052	51.5
83.04975	6.8
83.08616	14.8
84.15042	1.4
85.06559	3.4
91.05474	36.2
93.07038	38.2
93.07607	2.7
95.04959	13.5
95.08595	26.4
97.06528	26.6
97.10172	12.4
98.23399	1.6
99.04463	1.7
99.08089	3.1
105.04505	1.5
105.07025	38.5
106.55682	1.5
107.04951	14.8
107.08589	51.5
109.06508	18.1
109.10149	11.3
111.04443	2.2
111.08085	5.5
117.07006	11.9
119.08569	25.8
121.06508	7.7
121.10145	14.3
123.08076	5.0
123.11720	3.0
125.09622	19.2
129.07034	5.0
131.08563	13.8
133.06496	2.3
133.10121	21.1
135.08051	9.9
135.11685	11.1
137.09573	7.4
141.09058	1.5
143.08589	3.5
145.06429	1.5
145.10120	17.8
147.08052	3.4
147.11674	16.3
149.09624	17.1
149.13269	5.6
151.11208	7.8
153.09085	3.9
155.08609	2.2
157.10133	2.6
159.08093	3.3
159.11682	10.5
161.09650	3.0
161.13271	7.9
163.11195	13.0
165.09084	2.3
165.12756	3.9
169.10187	3.1
171.11725	4.0
173.09584	3.9
173.13272	5.6
177.12785	4.2
179.14323	3.4
181.12291	2.4
183.11589	2.6
187.11215	3.0
187.14874	2.3
193.12321	2.4
197.13271	2.1
199.14804	1.7
201.12677	1.9
203.12775	9.7
215.17966	2.1
229.19492	5.4
233.15512	2.9
239.17960	10.4
247.20607	9.6
257.18991	18.7
261.03152	3.0
271.17169	1.8
275.20050	100.0
276.20477	4.3
277.51810	1.5
289.18469	7.1
289.21097	7.1
307.18939	11.3
307.22681	30.5
308.23080	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03923	1.0
53.15577	0.6
55.01863	2.4
55.05514	11.4
57.03427	2.6
57.07077	6.0
63.35051	0.6
65.03914	1.3
67.05169	0.8
67.05505	13.6
69.03404	2.2
69.07069	10.5
69.76083	1.4
71.04977	2.1
71.08639	7.2
79.05491	12.2
81.07054	20.1
83.04969	1.8
83.08610	4.6
85.06525	2.9
91.05482	9.1
93.07047	16.5
95.04964	18.9
95.08030	1.1
95.08607	15.7
96.59349	0.6
97.06525	4.1
97.10162	3.2
98.06046	1.2
98.98558	0.7
99.08081	4.7
105.07014	10.7
107.04929	1.6
107.08596	10.7
109.06518	42.2
109.10151	3.9
111.08070	1.5
117.07027	2.2
119.08572	10.5
121.06504	6.3
121.10155	5.2
123.08085	5.0
123.11670	1.3
125.09634	1.9
129.06995	0.9
131.08562	5.7
133.10132	5.9
135.08073	5.5
135.11673	2.4
135.74445	0.7
137.09604	2.8
139.11143	1.8
143.08517	1.3
145.10120	5.1
147.07986	1.1
147.11690	4.9
149.09622	3.1
149.13258	1.1
151.11176	1.7
153.12721	0.9
157.10059	0.8
159.11665	3.9
161.13272	2.3
163.11147	3.0
163.14845	1.0
165.12750	94.5
166.13101	1.6
169.10173	1.1
173.13235	3.3
175.11223	1.5
175.14818	0.8
177.12730	4.2
179.14299	2.5
181.15828	1.0
183.11652	1.3
185.13255	2.0
187.14807	1.6
191.14278	4.3
197.13235	0.9
201.12691	1.2
201.16393	0.9
203.14253	1.8
205.15921	1.2
219.17384	4.1
233.15176	0.9
235.16785	1.1
243.21167	0.9
247.20627	0.9
251.16441	5.7
257.18994	1.9
261.03128	0.7
261.22116	7.8
271.20428	1.1
275.20065	6.7
279.23068	0.7
289.21597	29.5
290.21848	2.0
307.22675	100.0
307.27795	6.4
308.23032	4.8
312.94119	0.6
316.46640	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03933	2.9
55.01874	12.7
55.05510	29.2
57.03436	4.5
57.07058	1.2
59.04987	2.6
65.03928	2.5
66.53811	0.7
67.05503	26.9
68.05818	0.7
69.03424	3.5
69.06707	1.2
69.07066	15.5
69.70658	1.7
69.71014	1.5
71.04985	2.6
73.06538	1.0
73.62783	0.7
77.03917	1.2
79.05490	54.5
80.05825	1.3
81.03408	3.0
81.07055	36.4
83.04971	9.8
83.08617	14.7
85.06534	2.6
87.62547	0.8
91.05480	29.1
93.07042	30.7
95.04971	8.5
95.08604	17.8
96.08945	0.9
97.06523	14.5
97.10169	24.3
98.23447	1.0
98.98449	1.0
101.06054	0.9
103.05492	1.2
105.07025	33.7
107.04945	12.6
107.08591	100.0
108.08157	1.3
108.08881	1.6
109.06522	10.2
109.10156	8.7
111.08071	3.5
115.05478	1.1
117.07022	7.6
119.01910	0.7
119.06079	2.1
119.08579	17.7
121.06514	4.7
121.10146	11.0
123.08055	3.1
123.11700	3.4
125.09626	26.9
129.06985	2.7
131.08562	11.0
133.06487	1.0
133.10118	17.0
135.08047	9.4
135.11679	6.7
137.06021	1.2
137.09630	2.5
137.13216	0.9
138.06332	1.5
139.07585	1.1
141.06882	1.1
143.08578	2.2
143.10648	1.1
145.06494	1.1
145.10110	18.6
147.08017	0.9
147.11678	14.4
148.11160	1.3
149.09616	18.0
149.13232	1.7
151.11142	2.3
153.09109	5.1
157.10141	2.7
157.12263	2.5
159.11649	8.9
161.09550	1.3
161.13272	4.1
163.07487	1.5
163.11160	5.6
165.09082	1.6
165.12737	2.8
169.10144	1.5
171.10236	1.7
171.11667	3.7
173.11836	1.6
173.13258	4.7
175.11212	1.5
175.14624	0.8
177.08998	1.1
177.12753	3.1
178.78288	0.9
181.12209	2.4
183.11673	2.4
187.11232	1.9
187.14813	1.2
189.12727	0.9
197.13255	1.6
203.12764	24.0
203.14613	1.5
205.12247	1.3
205.15916	1.0
207.13739	0.9
215.14279	1.1
215.17871	1.3
218.73955	0.9
219.17479	1.0
229.19519	2.7
239.17931	5.0
247.20474	3.4
257.19037	14.0
261.03046	4.3
261.18323	0.9
275.20056	69.4
276.20386	2.4
289.17975	2.8
289.21582	13.6
290.21393	2.1
300.07138	0.7
307.18869	3.0
307.22635	13.8
308.22543	1.2
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
53.03943	4.7
53.67070	0.9
55.01871	4.4
55.05519	11.0
57.07067	2.0
62.31387	0.9
67.05502	22.8
67.05860	1.2
69.07068	11.2
69.70083	3.7
71.04972	2.9
74.62340	1.0
77.03898	1.0
79.05491	30.9
81.03426	5.2
81.07053	100.0
82.07394	1.4
83.04972	4.1
83.08190	1.0
83.08600	6.5
83.17728	1.0
85.06548	1.8
89.39335	1.0
91.05478	16.0
93.07047	18.9
95.04967	10.1
95.08601	17.5
97.06532	4.1
97.10171	1.7
98.98440	1.5
105.04610	1.0
105.07023	15.3
107.04950	5.2
107.08598	10.2
109.06513	44.1
109.10148	6.7
110.06849	1.0
111.04465	1.4
111.08067	2.6
117.07020	5.2
119.08571	12.6
121.06487	3.6
121.10139	6.0
123.08063	8.4
123.11740	3.5
125.09657	1.8
130.07770	1.4
131.08571	7.4
133.10112	13.1
135.08041	3.4
135.11691	4.1
137.09575	2.4
138.06250	1.2
145.10143	6.8
147.11664	11.6
149.09622	5.4
149.13268	5.8
151.07594	1.0
151.11176	2.8
157.10172	1.6
159.11690	4.9
161.13268	2.4
163.11198	4.6
163.14879	2.0
165.12772	3.7
171.11740	1.8
173.13264	2.7
175.11261	1.5
177.12785	2.2
187.14877	1.9
193.12199	2.9
201.12595	1.8
229.19524	1.8
231.96324	1.0
233.19104	1.3
247.20563	5.2
257.19028	4.7
261.03046	3.4
275.17041	2.4
275.20050	44.5
276.20392	2.9
278.84177	1.1
289.21674	2.9
307.19238	1.3
307.22690	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	307.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	19.6
54.70590	2.1
55.01662	3.2
55.01872	35.7
55.05262	3.0
55.05511	42.9
57.03438	5.1
65.03940	2.9
67.05506	61.8
69.03401	3.7
69.07068	47.4
69.70111	9.4
71.04996	4.2
77.03925	4.0
79.05042	4.5
79.05493	73.7
81.03419	41.4
81.07057	92.1
83.04977	21.2
83.08607	14.1
85.06532	6.5
86.48376	2.9
91.05482	59.7
93.07047	63.8
95.01313	6.8
95.04970	23.2
95.08607	52.2
97.06531	68.7
97.10164	18.5
99.08044	5.1
103.05499	2.8
104.03127	2.3
105.07028	81.1
106.07363	2.9
107.04961	39.3
107.08587	38.9
109.06540	14.1
109.10163	11.7
111.08071	5.8
116.89481	2.6
117.07013	14.6
119.08567	42.9
121.06498	6.8
121.10131	18.9
123.04385	3.1
123.08062	11.7
123.11707	4.9
125.09626	21.3
129.06892	2.2
131.08586	29.3
133.10133	44.9
135.08017	10.3
135.11693	21.9
137.09639	5.2
141.06999	2.8
143.08542	3.8
145.06482	6.9
145.10101	20.9
147.11676	20.4
149.09630	24.9
149.13232	9.2
151.11137	5.3
153.09048	4.8
157.10097	4.7
159.11703	23.6
161.13284	8.9
163.11145	5.6
163.14827	2.7
165.09061	4.9
168.24005	2.4
169.10095	5.3
171.11739	3.8
173.13153	2.9
177.12761	20.2
179.14302	13.9
187.11186	10.8
203.12747	11.9
205.12236	4.7
209.15402	11.9
219.17392	7.4
229.19521	3.9
239.17960	5.3
247.20543	5.5
257.18945	11.0
275.20059	100.0
276.20309	7.2
307.22772	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	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03939	8.1
55.01878	10.4
55.05516	29.3
57.07068	5.1
59.04993	2.4
65.03952	2.4
67.05505	74.3
69.03442	2.6
69.07069	17.4
69.67982	5.6
71.04992	6.5
73.06532	1.9
79.05491	41.6
81.03410	15.5
81.06567	2.8
81.07054	58.4
83.04976	11.1
83.08613	13.4
85.06551	7.7
91.05477	48.2
93.07044	37.3
95.04975	16.8
95.08610	42.2
97.06551	4.8
97.10172	7.9
103.05462	1.8
105.04530	3.2
105.07034	46.4
106.07361	1.8
107.04974	10.7
107.08598	26.5
109.06522	7.0
109.10153	25.5
111.08096	6.1
117.07027	14.4
119.08582	37.7
121.06513	6.7
121.10130	18.0
122.76569	1.9
123.04459	3.3
123.08080	16.8
123.11713	7.3
125.09625	12.1
129.07060	4.5
131.08580	19.0
133.06490	3.1
133.10143	35.7
135.08081	5.9
135.11653	8.0
137.09615	33.7
137.17117	1.6
143.08557	3.4
145.10112	16.5
147.08099	2.2
147.11682	20.4
149.09625	14.9
149.13293	5.6
151.11206	8.0
155.08554	2.4
157.10184	4.1
159.11690	15.0
161.13231	7.5
163.11145	8.2
163.14836	4.6
165.09158	4.4
165.12798	3.1
165.59906	1.6
169.10185	2.0
171.11674	3.4
173.09636	2.8
173.13283	13.1
175.11122	2.4
175.14781	2.1
177.09073	2.4
177.12785	6.2
179.10733	1.8
183.11713	2.2
187.14871	3.8
191.10539	1.6
197.13225	2.5
207.13913	1.6
215.14374	1.6
229.19525	7.9
239.17953	4.3
247.20554	9.6
250.68098	1.9
257.19022	8.8
261.02615	2.0
275.20065	100.0
276.20270	3.8
279.23087	3.1
289.21469	3.6
297.31067	1.6
307.22693	31.6
317.44183	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.263
Annotation	Trixagodiol C
Peak:m/z	Relative Intensity
53.03935	3.8
54.89668	1.3
55.01863	3.2
55.05303	1.4
55.05511	18.0
56.96551	1.6
57.03431	4.3
57.07067	7.1
59.04975	3.4
62.53929	1.2
67.05164	1.8
67.05501	23.9
68.57306	1.5
69.03420	6.9
69.07064	37.0
69.17776	6.9
70.06596	8.9
71.04975	5.9
71.06920	2.4
71.08633	2.6
77.35148	1.2
79.05492	17.6
79.92374	1.2
81.03420	17.2
81.07054	91.7
82.07375	2.6
83.04982	6.7
83.08625	10.5
85.06544	5.4
88.07630	4.5
91.05462	13.2
93.07047	41.1
94.07341	1.5
95.04960	9.8
95.08025	2.9
95.08604	40.6
97.06534	10.6
97.10149	7.7
98.98479	2.6
99.04439	2.9
99.08109	3.7
99.08826	1.3
102.09175	2.5
105.04488	1.6
105.07034	15.9
107.04948	5.5
107.08591	40.7
109.02881	23.1
109.06519	8.0
109.10159	33.5
110.06886	1.5
110.10478	1.8
111.08078	18.7
111.11716	3.4
117.07020	4.9
119.08582	11.2
121.06525	7.0
121.10139	18.1
123.08067	4.9
123.11697	22.8
125.09607	4.1
127.03896	4.4
127.11197	2.6
128.06148	1.6
129.06963	1.9
131.08557	5.4
132.10197	3.9
133.06543	1.4
133.10094	19.7
135.04405	3.4
135.08066	5.4
135.11676	10.3
137.09595	3.7
137.13251	9.3
139.11182	11.7
143.08524	1.3
145.06508	1.9
145.10187	6.3
146.11720	2.0
147.08051	1.8
147.11734	7.2
149.09572	3.1
149.13245	11.7
151.11176	34.4
151.14786	2.9
153.12732	2.4
159.08061	4.3
159.11684	5.4
161.13255	5.5
163.03922	11.3
163.07520	2.8
163.11177	1.7
163.14810	4.2
165.09052	1.5
165.12759	5.7
167.14404	1.8
169.12238	4.3
171.11702	1.7
173.13307	3.7
175.14830	4.0
177.12810	1.6
177.16336	3.8
181.04901	1.8
181.06410	1.6
187.14836	2.7
189.16336	1.6
191.17952	2.7
195.05342	1.3
200.20081	3.8
201.16335	2.1
201.20374	7.2
202.07753	1.6
203.17950	3.7
207.17485	1.7
215.17964	2.7
218.07272	1.9
219.07979	4.5
220.08681	1.4
221.09726	1.3
233.15413	2.9
233.18655	1.3
235.07535	2.3
236.08345	3.0
244.22839	1.8
245.23032	20.7
247.07608	3.0
250.14461	1.7
251.10663	3.1
259.24374	1.5
261.02954	2.0
261.18253	1.3
263.07065	1.7
264.07690	4.9
267.08954	3.0
271.16888	2.5
271.24188	5.1
277.25269	2.0
279.10175	2.7
285.10025	4.6
289.14609	2.5
289.17990	9.6
289.25137	13.1
292.07346	4.4
293.18201	1.5
307.09589	15.2
307.15237	4.5
307.19067	8.2
307.26550	100.0
308.10254	2.5
308.14978	1.8
308.18448	3.0
308.26773	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	307.2631
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03950	2.7
55.01863	5.1
55.05512	20.2
55.91027	1.1
57.03436	4.5
57.07078	8.5
59.04991	5.2
67.05164	1.9
67.05506	32.0
68.57969	1.2
69.03431	13.1
69.07072	29.6
69.60317	4.3
70.06583	3.9
71.04996	8.7
71.08607	2.0
79.05489	21.5
80.05836	1.4
81.03420	10.6
81.07058	95.9
82.07391	2.1
83.04995	4.2
83.08622	12.7
85.06535	11.8
86.09728	1.6
91.05479	13.7
93.07047	38.1
95.04971	7.6
95.08608	100.0
96.08913	1.9
97.06539	14.2
97.10174	11.9
98.98473	2.2
99.08093	8.0
105.07047	19.8
107.04938	6.3
107.08601	34.5
108.08945	2.2
109.02882	12.7
109.06513	9.9
109.10157	52.2
111.08073	11.5
111.11711	4.2
113.09615	2.0
117.07001	3.9
119.08591	20.0
121.06553	8.0
121.10146	29.4
123.04443	1.6
123.08054	4.5
123.10885	2.4
123.11707	28.5
125.05964	1.8
125.09625	13.8
127.03880	3.2
127.11193	4.6
129.06990	2.1
131.08575	5.6
132.10181	2.0
133.06462	1.7
133.10135	10.1
135.04402	3.3
135.08043	3.1
135.11687	15.3
137.09645	4.5
137.13243	16.8
139.11171	6.3
143.10699	2.3
145.02863	1.8
145.10129	5.5
146.06253	1.4
147.08008	2.7
147.11697	14.7
149.09599	1.9
149.13261	27.8
150.13600	1.3
151.11203	6.4
151.14856	9.6
153.12682	2.7
155.86491	1.3
159.08089	7.2
159.11696	6.9
161.09512	1.9
161.13235	9.1
163.03926	10.8
163.14854	9.5
165.12715	3.5
167.14343	3.0
168.43172	1.3
173.13254	4.7
175.07469	1.4
175.14861	5.8
177.09140	1.5
177.16345	4.2
179.14337	2.2
187.14821	2.5
189.16403	5.3
191.17854	3.7
201.16409	3.0
201.20399	2.3
203.17960	10.7
205.19560	2.8
207.08087	1.5
215.14444	1.4
215.17937	4.6
217.19543	3.1
218.07408	1.9
219.08070	3.0
219.17337	1.9
221.18939	2.4
226.49593	1.7
229.19638	1.7
231.21156	2.5
233.15318	3.0
235.07602	1.4
236.08395	1.6
245.22945	8.6
247.13382	1.7
251.10764	2.0
259.24338	1.9
261.03162	2.4
261.18509	2.8
263.07089	1.3
263.23529	2.7
264.07751	4.7
265.70590	1.6
267.09045	2.2
271.16931	3.9
271.24167	10.9
277.25226	2.3
279.10126	1.9
285.10114	4.5
289.17999	8.5
289.25302	16.7
292.07172	2.1
307.09698	9.3
307.15347	2.6
307.19040	8.5
307.26462	54.5
308.10422	1.6
308.26746	2.6
323.11649	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2633
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
51.06850	1.1
52.01292	1.0
53.03944	3.0
55.01868	1.7
55.05256	1.6
55.05512	20.6
55.31184	1.0
57.03429	4.9
57.07080	10.1
58.87462	1.1
59.04994	2.4
65.03932	1.2
67.05505	24.9
67.62474	1.0
69.03431	8.5
69.07069	72.4
70.07383	1.7
70.15778	3.2
71.04985	5.8
71.08636	3.2
77.03918	1.4
79.05496	20.4
81.03427	13.8
81.07058	100.0
82.07362	2.1
83.04992	6.1
83.08622	17.7
85.02905	1.4
85.06535	11.4
87.04456	1.3
91.05481	14.2
93.06449	1.6
93.07047	46.5
95.04959	10.0
95.08610	63.5
97.06543	10.8
97.10172	6.3
99.08084	3.0
105.04517	1.3
105.07031	43.4
107.04955	2.2
107.08595	38.2
109.02886	19.3
109.06533	10.7
109.10160	34.7
111.04473	1.6
111.08092	13.0
111.11725	15.3
113.05997	1.6
113.09676	1.3
117.03348	1.8
117.07019	3.6
119.08582	21.5
121.06509	10.4
121.10150	43.8
122.10394	1.7
123.04449	1.5
123.08097	4.0
123.11707	43.6
125.06007	1.3
125.09621	4.4
127.03929	3.5
129.06987	1.5
131.08601	3.5
133.06506	2.1
133.10120	9.9
135.04396	2.7
135.08060	3.6
135.11681	12.5
137.05965	1.2
137.09601	3.0
137.13249	14.5
139.11179	18.0
145.02831	1.3
145.10129	4.9
147.08022	1.1
147.11685	25.9
147.92146	1.2
149.09636	2.3
149.13234	13.1
151.11168	14.4
151.14804	2.3
153.12735	8.5
157.10115	1.3
159.07994	1.8
159.11699	4.2
161.13257	5.1
163.03914	12.8
163.07629	1.5
163.11221	2.8
163.14821	4.6
165.09109	1.3
165.12762	36.2
166.13106	1.5
167.14325	4.0
169.12379	1.6
171.11728	1.9
173.13269	3.1
175.07512	1.3
175.14795	2.9
177.12756	1.5
177.16374	2.2
181.12227	1.5
183.13826	1.4
187.14868	2.4
189.16359	3.2
191.14479	1.2
191.17894	2.4
191.66925	1.3
201.16367	2.0
202.73267	1.1
203.17958	3.2
215.17880	1.9
216.82913	1.2
219.08063	1.8
219.17570	1.6
245.22687	2.3
247.07408	2.1
251.10609	1.7
259.24118	1.3
264.07825	3.0
268.20093	1.2
271.16937	2.9
271.24243	6.2
277.25330	3.7
285.10135	1.9
289.18179	5.7
289.25259	21.5
292.07224	2.6
293.07709	1.3
307.09720	9.2
307.18768	2.1
307.26318	49.8
308.10571	2.7
308.22516	1.1
308.26480	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2631
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
52.92541	0.7
53.03941	1.9
55.01858	3.1
55.05506	10.8
56.96561	7.7
57.03428	1.7
57.07072	5.4
63.58775	0.8
64.66346	0.6
65.03934	1.3
67.05501	21.7
69.03422	3.0
69.07063	29.1
71.04982	4.6
71.08599	1.3
71.24773	0.8
73.06526	1.0
73.51031	0.8
77.03911	1.3
78.59157	0.7
79.05490	14.7
81.03411	7.7
81.07053	100.0
82.07374	2.7
83.04973	2.9
83.08614	5.6
85.02892	1.3
85.06539	4.8
87.04449	2.2
91.05465	10.3
93.07038	41.3
95.04961	7.5
95.08600	36.1
95.09217	1.5
97.06526	10.0
97.10162	3.3
99.04456	1.3
99.08097	1.6
105.04519	0.8
105.07023	14.2
107.04948	1.4
107.08586	35.6
108.74358	0.7
109.02869	3.7
109.06503	13.0
109.10149	24.9
109.25198	0.7
111.08071	20.4
111.11704	5.3
113.05997	3.1
114.86683	0.8
117.07033	1.5
119.08591	5.7
121.06490	2.9
121.10136	10.1
123.08058	3.1
123.11699	64.0
124.12058	1.9
125.09622	2.1
127.11211	1.5
129.07048	1.0
130.11942	0.8
131.08557	2.0
133.06540	0.7
133.10118	19.1
135.04416	1.7
135.11664	5.7
137.02724	0.9
137.09637	0.9
137.13257	6.9
139.00688	1.1
139.11186	13.1
145.10107	2.0
147.07953	1.1
147.11685	4.2
149.09579	1.5
149.13264	7.3
151.11169	44.2
151.14912	0.9
152.11490	1.7
153.12726	2.6
155.00967	1.0
159.08067	1.0
159.11687	1.7
160.83696	0.9
161.13280	3.6
163.03870	6.1
163.07599	0.9
163.11079	0.7
163.14807	3.0
165.12758	6.1
167.03859	1.4
169.12248	7.6
171.03328	0.8
173.13298	1.5
175.11270	1.0
175.14868	1.9
177.16379	3.2
178.08647	1.2
185.04897	3.7
187.14812	1.1
189.16371	1.9
191.17886	1.5
193.15900	0.9
201.16251	1.1
203.05942	2.4
203.17903	1.6
207.17424	1.5
211.06413	1.7
215.17950	1.2
218.07230	0.9
231.06888	1.3
233.15448	1.3
233.19011	0.9
236.08316	0.8
237.07988	1.4
249.07938	3.0
267.09012	27.1
271.16928	1.7
271.24197	3.4
277.25333	3.1
279.10101	0.9
285.10071	31.6
289.18073	3.9
289.25198	11.1
290.25470	1.6
292.07285	0.8
303.11124	0.8
307.08102	4.6
307.19064	2.3
307.26321	37.9
308.11285	3.3
308.26593	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	307.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.8
54.89668	1.3
55.01863	3.2
55.05303	1.4
55.05511	18.0
56.96551	1.6
57.03431	4.3
57.07067	7.1
59.04975	3.4
62.53929	1.2
67.05164	1.8
67.05501	23.9
68.57306	1.5
69.03420	6.9
69.07064	37.0
69.17776	6.9
70.06596	8.9
71.04975	5.9
71.06920	2.4
71.08633	2.6
77.35148	1.2
79.05492	17.6
79.92374	1.2
81.03420	17.2
81.07054	91.7
82.07375	2.6
83.04982	6.7
83.08625	10.5
85.06544	5.4
88.07630	4.5
91.05462	13.2
93.07047	41.1
94.07341	1.5
95.04960	9.8
95.08025	2.9
95.08604	40.6
97.06534	10.6
97.10149	7.7
98.98479	2.6
99.04439	2.9
99.08109	3.7
99.08826	1.3
102.09175	2.5
105.04488	1.6
105.07034	15.9
107.04948	5.5
107.08591	40.7
109.02881	23.1
109.06519	8.0
109.10159	33.5
110.06886	1.5
110.10478	1.8
111.08078	18.7
111.11716	3.4
117.07020	4.9
119.08582	11.2
121.06525	7.0
121.10139	18.1
123.08067	4.9
123.11697	22.8
125.09607	4.1
127.03896	4.4
127.11197	2.6
128.06148	1.6
129.06963	1.9
131.08557	5.4
132.10197	3.9
133.06543	1.4
133.10094	19.7
135.04405	3.4
135.08066	5.4
135.11676	10.3
137.09595	3.7
137.13251	9.3
139.11182	11.7
143.08524	1.3
145.06508	1.9
145.10187	6.3
146.11720	2.0
147.08051	1.8
147.11734	7.2
149.09572	3.1
149.13245	11.7
151.11176	34.4
151.14786	2.9
153.12732	2.4
159.08061	4.3
159.11684	5.4
161.13255	5.5
163.03922	11.3
163.07520	2.8
163.11177	1.7
163.14810	4.2
165.09052	1.5
165.12759	5.7
167.14404	1.8
169.12238	4.3
171.11702	1.7
173.13307	3.7
175.14830	4.0
177.12810	1.6
177.16336	3.8
181.04901	1.8
181.06410	1.6
187.14836	2.7
189.16336	1.6
191.17952	2.7
195.05342	1.3
200.20081	3.8
201.16335	2.1
201.20374	7.2
202.07753	1.6
203.17950	3.7
207.17485	1.7
215.17964	2.7
218.07272	1.9
219.07979	4.5
220.08681	1.4
221.09726	1.3
233.15413	2.9
233.18655	1.3
235.07535	2.3
236.08345	3.0
244.22839	1.8
245.23032	20.7
247.07608	3.0
250.14461	1.7
251.10663	3.1
259.24374	1.5
261.02954	2.0
261.18253	1.3
263.07065	1.7
264.07690	4.9
267.08954	3.0
271.16888	2.5
271.24188	5.1
277.25269	2.0
279.10175	2.7
285.10025	4.6
289.14609	2.5
289.17990	9.6
289.25137	13.1
292.07346	4.4
293.18201	1.5
307.09589	15.2
307.15237	4.5
307.19067	8.2
307.26550	100.0
308.10254	2.5
308.14978	1.8
308.18448	3.0
308.26773	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	308.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.2
54.03466	1.9
55.01871	11.8
55.05509	82.9
56.05022	2.0
56.05839	3.9
57.03434	2.5
57.07071	3.0
57.86112	1.4
59.05006	4.4
65.03940	6.6
67.05501	40.4
68.05038	1.9
69.03422	3.3
69.06707	3.8
69.07065	47.2
69.07447	2.3
69.40496	2.7
69.40891	4.7
70.06598	1.9
71.05007	1.8
74.48919	1.6
77.03931	3.2
79.05489	100.0
80.05010	11.9
80.05835	6.1
81.03410	2.7
81.07055	42.4
82.06592	14.2
82.07375	3.2
83.04988	8.1
83.08618	25.7
84.08124	1.7
84.08956	1.7
85.06551	2.2
91.05481	45.1
92.05001	13.8
92.05832	4.5
93.05785	5.8
93.07038	68.9
94.06563	6.1
94.07388	5.4
95.04964	16.0
95.08598	15.8
96.08951	1.8
97.06542	6.5
97.09517	2.2
97.10163	43.4
98.06063	2.8
98.10499	4.0
98.23473	3.3
103.05494	1.7
105.04500	7.7
105.07034	20.4
106.06557	21.3
106.07354	4.5
107.04979	3.5
107.07404	2.5
107.08586	44.5
108.05262	2.8
108.08141	5.6
108.08936	14.7
109.06539	5.3
109.10143	7.9
110.06069	1.6
116.06238	2.4
117.07009	8.4
118.06529	5.5
118.07317	2.0
119.07339	4.7
119.08583	8.5
120.08088	8.4
121.10116	17.7
123.08080	2.9
123.11732	2.9
124.11171	2.1
125.09629	37.4
125.10529	1.3
126.09949	4.3
129.07089	2.6
130.06508	1.9
131.08533	13.8
132.08084	4.3
132.08952	2.6
133.08890	4.2
133.10143	10.0
134.09634	3.8
134.10510	2.8
135.08072	2.9
135.11714	4.6
137.05965	9.7
138.12733	3.2
141.19525	1.6
143.10684	4.7
145.10098	3.0
146.09665	5.3
147.10507	2.3
147.11667	4.3
148.11183	48.6
149.09616	4.3
149.13272	2.1
150.09988	3.9
151.11183	2.6
153.09230	1.6
157.12167	1.9
159.11734	6.2
176.14340	10.5
186.12688	3.1
203.12740	2.4
204.13889	12.7
222.14923	20.5
258.19421	2.7
262.03183	3.5
262.18140	3.4
272.20163	2.1
276.20407	23.4
277.17889	4.3
290.21115	46.7
308.18866	2.5
308.22296	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	308.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.9
55.01867	4.3
55.05506	20.0
56.05021	3.7
57.03421	2.7
57.07079	1.8
65.03927	7.7
67.05500	89.9
68.05013	2.3
68.05826	1.5
69.07064	86.5
69.90042	2.3
69.90391	3.6
70.06580	1.6
71.04992	5.5
79.05042	2.7
79.05489	46.8
80.05017	21.5
81.03412	2.7
81.07053	78.3
82.06571	6.0
82.07394	1.4
83.04980	19.3
83.08617	6.5
84.08141	2.1
85.06527	3.4
91.04939	2.4
91.05473	28.8
92.04998	5.3
92.69583	1.3
93.05796	5.3
93.07035	52.7
94.06562	13.9
95.04964	7.7
95.08601	30.7
96.04481	4.6
96.08120	5.5
97.06520	5.6
97.10152	3.0
98.06033	5.7
105.04485	1.9
105.07014	18.0
106.06550	14.0
107.08576	19.7
108.04444	1.8
108.08154	6.5
108.08733	1.4
109.06496	4.3
109.10156	12.6
110.06029	1.9
110.09683	1.7
111.08082	1.7
113.05965	2.0
113.33157	1.3
115.05453	1.5
117.06999	16.6
118.06535	4.1
119.08553	5.2
120.08100	9.7
121.06483	3.3
121.08865	1.8
121.10149	6.2
122.09624	3.5
123.11617	1.5
127.07542	1.7
131.08560	12.0
132.08092	4.0
133.10114	15.9
134.09645	6.6
135.08043	5.1
135.11684	18.8
143.08545	1.5
144.08076	1.8
145.10126	3.8
147.07980	1.3
147.11713	2.8
148.11185	12.7
149.09589	2.7
149.13240	11.0
151.11136	4.9
157.10141	1.7
158.09608	1.5
159.11674	15.0
160.11227	1.9
162.12782	2.2
169.12254	2.4
171.11678	1.4
171.80316	1.4
176.14331	35.3
177.12729	5.2
186.12733	3.2
194.15375	4.5
195.13622	1.6
204.13858	11.2
222.14882	39.7
245.18976	1.5
273.18561	3.2
276.20352	1.5
290.21115	100.0
291.19333	4.4
291.21942	2.1
308.18951	1.7
308.22223	5.3
309.20700	2.3
314.82108	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	1.6
50.88776	1.4
51.02370	1.4
51.05759	1.5
53.03941	8.8
55.01872	8.1
55.05508	94.0
56.05020	3.4
56.05833	3.4
57.03423	3.1
59.04986	3.8
59.09459	1.6
65.03934	7.4
67.05161	2.5
67.05502	48.7
68.05031	1.7
68.05827	3.8
69.03408	5.1
69.07066	55.7
69.07445	3.0
69.65799	5.8
70.06586	2.7
71.04987	4.5
71.08618	1.8
77.03926	2.4
79.05489	100.0
80.05009	12.2
80.05790	3.1
81.03397	4.1
81.05772	1.9
81.06567	2.1
81.07050	43.4
82.06582	6.5
82.07381	2.8
83.04977	73.7
83.08617	34.9
84.05311	4.5
84.77943	1.7
85.06521	3.3
91.05475	48.2
92.04993	21.6
92.05808	4.3
93.05782	7.5
93.07039	61.3
94.06564	8.1
94.07369	2.4
95.04964	23.2
95.08607	16.4
96.04483	2.2
96.08209	1.5
96.08897	2.5
97.06560	2.7
97.10165	49.8
98.06078	2.2
99.08101	1.6
103.05447	2.2
105.04496	7.2
105.07029	17.4
106.06562	19.5
106.07243	3.1
107.04926	2.7
107.07321	4.4
107.08582	19.8
108.04478	2.6
108.08126	4.2
108.08884	2.1
109.02900	1.6
109.06499	5.2
109.10133	4.4
110.06104	1.8
110.06834	2.4
111.08089	2.4
116.06232	2.6
117.07014	8.0
118.06509	7.0
118.07281	2.6
119.07311	3.2
119.08566	7.3
120.08078	12.3
121.06494	3.4
121.10161	17.6
122.09705	1.7
123.04491	1.8
123.08050	3.1
124.11200	2.5
125.09624	42.0
129.07007	3.7
131.08559	23.2
132.08067	6.2
132.08955	2.4
133.08888	4.4
133.10135	5.9
134.09625	5.0
135.08031	4.9
135.11649	2.9
137.09581	2.6
138.12767	7.5
143.08482	2.5
143.10681	8.8
145.10075	4.7
146.09570	3.7
147.08031	2.0
147.11621	2.2
148.11195	74.6
149.09605	1.9
149.13222	2.8
157.10150	1.7
159.11682	6.0
161.13133	2.1
162.12805	1.7
165.12775	5.2
166.13094	5.8
173.13312	2.7
175.11115	1.6
176.14326	14.9
178.13051	3.6
186.12730	2.3
188.11360	2.2
192.11520	1.7
204.13837	21.1
206.12572	2.6
222.14891	26.8
223.15172	2.3
234.12085	2.3
245.18994	2.8
262.18738	2.1
272.17154	5.4
272.20087	2.2
273.18414	5.3
276.20340	1.8
290.18228	13.9
290.21118	90.5
291.19287	5.1
308.19034	8.6
308.22330	30.9
309.20435	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	308.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.01871	4.4
55.05510	23.2
56.05040	2.5
57.03436	1.2
57.44335	1.1
60.98587	1.1
62.14293	1.0
65.03928	8.4
67.05505	90.6
68.05026	3.9
68.05828	1.6
69.03451	1.8
69.07066	83.5
69.11797	5.0
69.12199	2.2
70.06590	2.5
70.07388	1.1
71.04988	5.3
77.03914	1.5
79.05492	42.1
79.21134	1.1
80.05015	28.4
80.05776	1.6
81.03410	1.3
81.07055	82.7
82.06612	5.3
82.07381	1.8
83.04977	30.5
83.08615	7.7
84.08127	2.0
85.06526	3.2
91.05479	28.4
92.04533	1.0
92.04996	6.6
93.05807	5.4
93.06441	2.5
93.07041	50.8
94.06572	12.3
94.07134	1.4
94.07381	1.5
95.04955	6.4
95.08603	32.3
96.04501	3.7
96.08128	7.1
97.06539	3.0
97.10180	3.1
98.06044	7.3
98.23438	2.6
104.12713	1.0
105.04514	3.1
105.07031	13.1
106.06559	12.8
106.07246	1.9
107.04995	1.4
107.07375	2.1
107.08585	26.5
107.09256	2.0
108.04477	2.1
108.08117	6.9
108.08818	1.1
109.06516	3.8
109.08960	1.1
109.10153	10.1
110.06022	1.9
110.09691	2.4
111.08077	1.4
113.06053	1.4
113.46664	1.0
115.05465	1.3
117.07014	15.1
117.07793	1.4
118.06554	3.7
119.08575	6.9
120.08094	12.4
121.06516	2.8
121.08886	1.2
121.10119	7.3
122.06032	1.4
122.09651	3.0
123.08096	3.0
127.07548	1.6
129.07033	1.3
130.06494	1.0
130.07771	1.3
131.08557	12.0
131.09344	1.3
132.08080	3.5
133.10114	12.0
134.09641	9.1
135.08076	4.7
135.11688	16.2
136.07561	1.2
137.05988	1.5
138.09215	1.2
145.10121	2.9
146.09631	2.2
147.11694	3.6
148.11217	14.5
149.09624	2.4
149.13240	10.9
151.11191	2.7
159.11679	14.0
161.09628	1.5
162.12764	2.9
163.11293	1.9
173.13298	1.0
174.12816	1.6
175.11203	1.2
176.14331	36.4
177.12776	8.0
179.10802	1.2
186.12724	2.4
194.15353	7.7
204.13800	12.7
222.14874	39.1
222.16968	2.2
223.15277	2.6
234.14966	1.5
235.29858	1.0
252.83817	1.1
262.03516	1.3
263.20145	1.7
272.20175	2.2
290.21121	100.0
291.19153	1.9
291.22101	2.1
308.19019	1.5
308.22278	6.5
309.20535	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	308.2221
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
51.76516	0.2
55.05502	0.6
55.77935	0.2
57.07076	0.7
67.05496	1.0
69.07058	1.0
71.04989	0.3
71.08643	0.6
74.55550	0.2
79.05499	1.4
81.07056	2.6
83.08618	0.5
90.16283	0.2
91.05499	1.2
92.05827	0.3
93.07034	1.6
94.04202	1.6
94.07378	0.3
95.04970	0.7
95.08603	0.9
96.05297	0.3
97.06523	0.4
98.98437	0.3
105.07043	0.7
107.04966	0.6
107.08589	0.7
109.06519	0.7
109.10145	0.2
111.08064	0.3
117.07006	0.3
119.08567	0.4
121.06513	0.5
121.10133	0.3
122.03648	6.5
122.06864	0.4
123.08059	0.3
125.09650	0.3
125.59953	0.3
133.10175	0.3
135.11662	0.3
137.05980	100.0
137.13264	0.7
138.06322	2.2
153.12886	0.3
155.14368	0.3
165.12791	0.3
172.16899	1.4
184.16994	2.5
210.61418	0.2
215.88826	0.2
262.03256	0.4
290.18326	0.3
291.16547	0.2
291.19650	0.7
291.23251	1.4
308.18732	0.7
308.22638	0.9
308.25964	0.5
309.14297	0.9
333.73749	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	309.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01879	0.4
55.05521	2.0
57.03435	10.6
59.04984	1.1
61.02930	2.1
62.33679	0.4
64.23766	0.3
67.05489	1.9
69.03426	3.6
70.57681	0.7
71.01340	1.4
71.04991	26.3
73.02914	4.7
75.04479	13.3
81.03412	1.0
83.04984	5.6
84.08138	0.8
85.02901	100.0
85.06535	1.3
86.03227	1.6
87.04462	2.5
91.03891	0.4
95.04967	1.6
97.02887	4.9
98.97584	0.6
99.04459	1.7
101.06033	1.3
103.03937	1.4
109.02892	1.3
111.04451	3.5
113.06001	10.8
114.10298	0.5
120.08100	16.2
127.03905	3.6
129.05472	21.7
130.05833	0.6
131.07037	6.0
137.05981	0.4
145.04919	2.1
147.04498	1.0
147.06522	13.5
148.07626	0.4
150.05495	0.4
151.03914	0.5
165.07552	0.6
171.06517	1.0
181.04874	0.4
248.87849	0.3
250.10741	10.4
255.08710	0.5
273.09790	0.4
309.11362	0.5
309.14618	0.6
309.18066	0.7
310.12833	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	309.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01873	2.1
55.05513	8.9
57.03433	14.1
57.07062	1.7
59.04991	1.9
61.02929	1.6
65.03939	0.8
67.05504	9.4
69.03416	4.1
69.07066	7.4
71.01343	1.5
71.04992	26.3
71.08621	1.1
71.45543	0.8
73.02907	5.2
75.04477	14.7
77.46716	0.6
79.05492	7.8
81.03411	3.4
81.07053	15.3
82.07406	0.6
83.04978	5.0
83.08619	4.1
84.36385	0.6
85.02901	100.0
85.06565	2.6
86.03257	0.9
86.06061	0.9
86.82878	0.6
87.04465	5.9
91.05468	5.4
93.07047	7.3
95.04984	2.9
95.08599	11.0
97.02905	4.0
97.06521	3.2
97.10158	5.3
98.98447	1.3
99.04459	2.4
99.08099	1.2
101.05993	1.2
103.03946	1.3
105.07021	5.5
107.04964	4.4
107.08594	7.2
109.02888	2.5
109.06517	2.5
109.10142	7.8
111.04460	3.0
111.08072	2.5
115.05428	0.7
117.06992	2.2
119.04920	3.3
119.08559	4.2
121.06468	1.6
121.10153	4.2
123.04480	0.7
123.08090	1.4
123.11710	4.9
125.06028	0.7
125.09624	4.4
127.03880	3.6
129.05472	24.0
129.06956	1.1
131.08540	3.1
133.10136	1.7
135.08035	4.5
135.11688	1.7
137.09654	3.3
137.13251	1.6
139.11206	1.0
143.08559	0.9
145.04971	1.3
145.06334	0.6
145.10114	2.0
147.04416	13.3
147.06497	14.6
147.07829	1.2
147.10574	0.6
147.11740	1.9
149.02269	0.7
149.09630	1.3
149.13260	2.1
153.12727	1.4
155.01079	0.6
157.10123	1.5
159.08052	0.8
159.11761	0.8
161.09619	1.2
161.13289	1.1
163.11203	1.2
163.14763	0.8
164.07059	4.7
165.05511	1.2
165.07834	1.5
165.09094	1.2
165.12701	0.9
168.99605	0.6
171.10303	0.6
171.11728	1.1
173.05954	0.6
173.11729	0.7
177.12914	0.8
182.08101	0.9
185.65657	0.7
187.14854	0.7
189.11201	3.5
189.16306	0.8
195.08070	0.8
199.14679	0.9
206.07222	1.1
217.15935	1.6
221.09578	0.9
223.07639	0.9
234.06793	2.6
235.07782	0.9
235.17133	1.0
248.08472	0.7
249.09117	4.1
249.14893	0.9
250.10767	7.6
251.07077	1.3
251.11644	1.1
266.10141	2.1
273.18430	5.4
277.08652	5.3
278.09766	0.8
281.11722	3.0
291.08493	0.6
291.19534	5.4
291.26907	2.1
291.99161	0.6
294.08829	1.7
309.11038	11.3
309.16693	1.5
309.20712	0.9
309.27869	2.5
310.12552	1.9
310.16284	0.8
319.09500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05914	0.3
56.05044	0.9
57.03431	1.0
69.03422	1.2
70.68813	0.8
71.04991	1.0
72.08139	0.5
84.04505	11.2
84.08152	2.9
85.02905	23.1
85.06536	1.7
86.06055	1.0
86.09687	0.5
86.43043	0.4
87.04463	0.8
92.05000	0.4
95.01346	2.0
97.07657	0.4
98.97572	0.5
102.05544	10.3
111.04453	0.4
112.03999	2.0
112.04681	0.6
113.02371	1.5
113.06014	2.2
114.10298	1.8
118.06547	0.8
120.08102	100.0
121.08453	1.9
130.05002	75.9
130.32132	0.4
131.05397	0.7
131.07024	3.1
132.63152	0.4
146.09656	0.5
148.07573	1.1
180.10190	36.6
181.10594	0.8
186.44031	0.4
232.09685	3.3
249.12308	7.5
250.10696	3.3
257.10846	0.4
292.11798	1.8
309.14450	36.7
309.17780	1.7
310.12830	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32230	0.5
53.03950	1.5
55.01870	1.4
55.05513	6.3
57.03428	1.6
57.37300	0.5
67.05505	6.7
69.03417	0.9
69.07067	1.9
71.04981	1.4
77.03918	0.7
79.05492	9.3
81.03424	2.7
81.07056	7.4
83.04980	1.2
83.08624	2.9
85.06532	1.4
91.05479	5.0
93.07049	10.1
95.04972	4.2
95.08602	4.4
97.06522	1.2
97.10177	2.6
98.22609	0.7
99.08082	0.8
105.07029	3.1
107.04956	1.9
107.08590	3.2
109.06520	2.0
109.10167	1.8
111.08088	0.8
113.06011	3.6
117.07017	1.6
119.04940	0.6
119.08607	2.2
121.06485	0.9
121.10142	4.2
123.08076	3.0
125.09657	2.8
129.06998	0.8
131.08582	1.8
133.06491	0.9
133.10146	2.4
135.08047	1.7
135.11722	2.0
137.09615	0.7
143.08574	0.5
145.06491	0.7
145.10121	1.6
147.11674	0.8
149.09593	0.8
157.10092	1.0
159.11705	1.1
161.09630	1.0
169.10127	0.5
171.11632	0.5
177.12805	0.6
187.11121	0.9
189.11342	2.5
195.13858	0.5
199.14861	0.7
217.15932	1.3
223.13280	0.8
249.18353	0.5
249.25426	0.5
273.18518	3.5
291.19574	10.1
309.16733	100.0
310.17151	3.7
317.44128	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
53.84101	0.3
55.01849	0.5
55.05509	4.8
57.03429	0.4
67.05515	2.1
69.03401	0.5
69.07055	1.1
69.79701	1.2
70.96333	0.3
79.05487	7.4
81.07046	2.0
83.04950	0.5
83.08612	1.9
86.76435	0.3
91.05483	2.5
93.07047	8.7
95.04952	1.0
95.08601	1.0
97.10168	3.2
97.93551	0.4
105.04478	0.4
105.07021	1.1
107.04910	0.4
107.08597	2.0
109.06473	0.4
109.10139	0.4
113.18999	0.4
116.48455	0.4
119.08535	0.6
121.10138	3.5
123.08066	1.5
125.09634	2.8
135.08098	0.5
147.08124	0.4
147.67511	0.3
175.33121	0.3
189.11232	2.5
210.28114	0.3
263.19934	0.3
273.18546	0.6
291.19550	1.3
309.16711	100.0
309.87683	0.4
310.17099	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	309.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76499	1.4
55.05508	11.7
57.03440	2.6
57.07067	2.2
66.85326	1.5
67.05510	2.1
69.03425	4.1
69.07068	100.0
70.07404	2.2
71.45165	1.7
81.03405	3.2
83.08643	2.2
85.02911	9.9
86.06067	68.4
91.05479	5.0
95.05037	1.5
95.08590	1.7
97.02891	1.9
97.06538	1.9
105.07050	1.4
109.02885	4.9
111.11716	32.8
119.04951	6.5
126.77636	1.3
129.07007	1.5
129.12749	41.7
131.43684	1.6
137.05916	1.9
147.04395	24.4
147.13823	4.5
148.04851	1.6
161.05972	2.2
163.03934	2.0
164.07079	6.9
165.05573	1.8
180.31146	1.5
182.08180	2.1
209.10025	6.4
224.09148	1.6
227.10921	2.1
231.08191	1.9
245.13481	1.5
249.09062	1.6
249.12329	10.8
250.07445	2.0
250.13194	3.3
263.08203	10.0
264.08786	1.5
265.09717	3.7
277.08606	3.6
291.07910	2.2
294.08771	1.9
309.08344	23.5
309.11279	6.1
309.14282	6.1
309.17651	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	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03945	8.2
55.01881	14.5
55.05510	51.3
57.03434	29.3
57.76146	2.5
61.81867	2.6
65.03933	2.5
67.05506	54.3
69.03432	8.2
69.07063	28.1
69.59272	8.0
70.17820	2.8
71.04613	2.3
71.04961	13.1
76.96626	2.5
79.05496	94.0
81.03416	15.4
81.07059	79.6
83.04989	13.6
83.08626	29.7
85.06550	13.9
91.05474	43.7
93.06450	5.1
93.07042	100.0
94.07395	3.8
95.04973	32.1
95.08614	34.9
97.06530	50.5
97.10164	30.9
99.08097	10.2
103.05473	3.5
105.04539	5.7
105.07022	30.2
107.04974	17.7
107.08597	36.2
109.06513	37.6
109.10159	13.8
111.08102	6.9
113.06024	22.1
117.07027	24.0
119.08578	26.7
121.06512	7.6
121.10151	31.2
123.08077	22.2
123.11702	8.1
125.09634	29.1
127.07546	6.0
129.07039	8.3
131.08574	20.5
133.10144	20.5
135.08057	32.2
135.11728	14.7
137.09610	5.8
142.07806	4.7
143.08607	7.1
145.10123	18.0
147.08070	9.0
147.11710	12.2
149.09637	11.9
149.13260	8.1
151.11174	5.4
153.09103	4.2
157.10118	9.7
159.08095	4.8
159.11699	11.4
161.09630	6.7
161.13319	3.0
163.11224	7.6
165.09128	5.4
171.10216	4.1
171.11671	6.5
173.13274	2.9
175.11214	7.0
177.12744	7.4
187.11179	6.5
189.11255	17.2
189.12744	5.0
195.13818	7.5
199.14819	6.6
205.12289	4.3
217.15816	16.8
219.13841	4.4
221.15390	6.5
223.13264	12.7
233.15369	3.7
235.16951	3.2
241.60464	2.8
245.18990	2.7
249.14813	3.1
255.17371	7.6
263.20099	5.0
273.18488	37.1
291.19510	65.1
292.19965	4.8
309.20547	25.3
312.21298	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	309.2059
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03954	14.7
54.45023	2.6
55.01878	14.5
55.05509	36.1
57.03434	71.4
57.07072	4.6
67.05505	85.4
67.19535	2.9
69.03429	9.0
69.07070	42.1
71.04972	19.6
73.35979	2.9
75.78411	2.9
77.03909	3.4
79.05491	82.0
81.03416	27.4
81.06569	5.9
81.07052	95.7
83.04984	15.5
83.08608	10.9
85.06556	14.5
91.05482	72.9
93.06452	4.7
93.07046	81.5
95.04962	30.8
95.08604	69.8
95.68264	3.0
97.06529	93.1
97.10171	6.7
99.08093	23.9
105.04525	3.5
105.07027	58.9
107.04938	22.3
107.08593	45.6
109.06521	39.0
109.10157	35.5
111.08064	10.2
113.06003	8.8
115.07548	21.3
117.07016	29.7
118.31932	2.7
119.08588	36.5
121.06500	19.4
121.10130	25.6
123.04400	2.7
123.08054	21.5
125.09585	7.4
127.07548	10.0
129.07028	18.7
131.08569	37.5
133.06503	6.6
133.10120	37.0
135.08080	29.9
135.10799	3.4
135.11676	18.7
137.09569	8.5
141.06978	4.8
143.08566	12.9
145.06483	6.4
145.10107	24.1
147.08049	13.5
147.11708	9.3
149.09599	15.3
149.13177	5.7
151.11139	16.4
155.08557	8.4
157.10126	16.5
159.11688	16.5
161.09601	12.1
161.13168	4.6
163.11188	7.3
169.10136	4.4
171.11676	9.0
173.13245	9.1
175.11176	3.5
177.12712	8.1
179.10677	5.4
183.11726	6.3
185.13251	4.4
187.11148	6.4
191.14319	9.0
193.12193	3.7
199.14818	9.6
201.12752	9.5
217.15862	22.1
219.13826	15.6
221.15390	7.0
223.13188	5.8
227.17921	4.7
227.40083	3.2
233.15364	8.9
235.16954	4.9
245.19107	7.1
251.16562	5.7
255.17480	7.9
263.19995	7.4
273.18478	44.8
274.18893	3.3
291.16226	5.4
291.19516	100.0
292.19824	5.1
309.20566	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	309.2059
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.37446	3.2
53.03935	4.4
55.01870	14.3
55.05509	44.2
57.03434	40.7
67.05502	41.6
68.94133	3.2
69.03407	4.8
69.07071	15.7
71.04991	4.1
74.21675	2.9
79.05490	47.4
81.07055	59.6
83.04965	9.4
83.08594	17.1
85.06527	6.1
91.05482	35.4
93.07049	30.6
95.04948	16.7
95.08586	17.9
97.06531	4.0
97.10167	24.5
99.08060	4.2
105.07030	23.7
107.04963	25.3
107.08568	20.1
109.06503	21.3
109.10179	5.9
111.08056	4.3
115.05403	3.4
115.66766	3.4
117.07026	25.0
119.08585	42.9
121.06487	11.4
121.10118	10.3
123.08047	9.8
125.09637	21.6
129.06990	9.4
131.08569	23.2
131.21005	3.5
133.06497	3.7
133.10141	8.7
135.08049	13.7
136.11082	3.4
137.09653	3.8
143.08531	11.4
145.10107	26.4
147.08046	25.3
149.09641	3.9
153.09064	4.4
157.10172	7.6
159.07985	5.6
159.11714	4.9
161.09613	8.9
163.11183	6.6
171.11659	6.8
175.11169	3.1
175.14798	3.7
189.11264	9.0
191.52129	3.3
195.11736	3.7
201.12956	3.3
217.15881	4.1
219.13817	9.7
227.18018	5.3
242.68657	3.4
249.14653	3.8
255.17480	6.0
273.18521	43.1
291.19528	100.0
292.19904	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	309.2061
Annotation	Soraphen O
Peak:m/z	Relative Intensity
54.63347	0.9
55.01875	5.2
55.05500	3.2
57.03439	36.3
57.07065	1.6
65.03950	1.8
65.71462	1.0
67.05505	26.4
69.07072	2.4
69.70826	2.4
71.05004	3.4
79.05490	10.8
81.03436	1.7
81.07047	10.9
83.04964	1.9
83.08608	2.8
85.06544	30.7
91.05476	9.4
93.07045	9.8
95.04971	38.4
95.08601	4.5
97.06548	1.3
97.10146	1.1
97.47777	1.0
105.07009	6.4
107.04955	4.0
107.08594	6.1
109.06519	37.0
113.06007	100.0
113.19500	0.9
114.06363	0.9
115.05448	1.0
117.07031	5.7
119.08595	4.8
121.06557	2.0
121.10169	2.4
123.08050	2.4
128.06248	1.4
129.07021	2.9
131.08565	7.5
133.06392	1.0
133.10123	3.6
135.08055	29.0
135.11725	1.8
136.08347	0.9
142.78856	0.9
143.08568	4.0
145.10110	4.0
147.08035	1.0
149.09554	1.7
157.10196	1.6
159.08134	1.2
159.11664	1.7
161.08186	0.9
161.09586	4.9
163.11177	2.1
173.13351	1.1
175.11227	1.6
177.12755	1.8
183.11684	1.7
195.11847	1.3
195.13686	1.2
199.14848	2.2
201.12915	1.3
217.15877	9.2
255.17488	1.5
273.18539	14.4
291.19553	38.2
292.19971	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03945	12.0
55.01874	10.8
55.05506	11.2
56.05019	1.1
57.03437	8.3
57.07066	1.4
59.04992	1.4
65.03938	2.9
67.05504	34.4
69.03431	4.3
69.07067	9.4
69.43077	3.1
69.43474	1.6
71.04997	7.8
75.54060	0.8
79.05488	30.2
81.03417	33.5
81.07053	66.4
83.04982	13.2
83.08620	6.8
84.15242	1.0
85.02895	2.1
85.06533	6.2
85.36333	0.9
86.48695	1.0
91.05486	17.0
93.07043	28.1
95.04967	19.5
95.08599	23.6
97.06532	5.1
97.10171	4.3
98.09724	1.5
99.04441	1.4
99.08105	1.3
103.05493	1.1
105.04483	1.0
105.07022	16.2
107.04953	14.9
107.08590	14.9
109.06515	49.9
109.10163	5.8
111.04433	12.4
111.08084	5.3
113.06026	5.5
115.05447	1.1
117.07016	11.4
117.80628	0.9
119.08569	14.2
121.06509	6.8
121.10133	8.8
123.04455	1.3
123.08064	13.6
125.09635	2.2
129.06989	3.9
131.08568	14.7
133.06491	1.9
133.10133	7.6
134.10474	0.9
135.08046	18.1
135.11699	13.1
136.68309	0.9
137.09630	3.3
141.07010	3.4
142.07744	1.0
143.08525	5.1
145.06499	5.8
145.10112	10.8
147.08028	5.6
147.11688	1.8
149.09613	5.2
149.13290	3.3
153.12753	2.0
155.08620	1.3
157.10168	4.7
159.08049	3.5
159.11713	10.4
161.09596	5.3
161.13304	1.7
163.11137	6.8
165.09111	1.1
167.10681	2.0
169.10112	4.0
171.11726	2.4
173.09700	1.8
173.13266	1.8
175.11205	1.7
177.12743	4.8
181.12227	5.7
183.11673	1.2
185.09576	1.0
187.11171	4.1
189.11163	1.9
189.12698	1.0
191.10699	3.4
195.13795	2.9
199.11192	0.9
199.14827	1.9
201.12701	1.0
204.13785	1.1
209.11667	1.8
212.16521	1.0
217.15892	11.7
219.13728	1.6
222.72290	1.0
223.13246	1.6
227.12794	3.1
237.16454	1.3
241.14273	1.3
249.14890	2.9
255.17546	2.6
273.18475	22.0
274.18799	1.6
286.10580	1.1
291.19528	100.0
292.19772	4.8
292.22772	3.6
309.20505	11.4
310.20300	1.0
310.23755	1.6
325.35541	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.64803	1.5
53.03945	4.4
55.01619	1.6
55.01873	16.7
55.05507	29.9
57.03425	5.9
57.07069	1.9
59.04974	1.4
65.03931	3.6
67.05502	65.0
67.05865	3.6
68.27534	1.3
69.03412	4.8
69.07066	20.5
69.79861	2.8
69.80220	3.5
71.04980	5.4
79.05492	44.7
81.03417	8.9
81.07053	100.0
82.07387	1.7
83.04525	2.4
83.04984	27.7
83.05463	1.1
83.08620	11.3
85.02895	2.3
85.06535	6.5
91.05473	42.6
92.27451	1.7
93.07038	41.1
95.04970	15.8
95.08021	2.8
95.08602	40.0
97.06517	7.5
97.10171	4.9
98.23512	1.5
99.04464	3.0
99.08096	2.8
105.04507	2.0
105.07026	40.2
107.04945	12.7
107.08588	41.6
109.06516	14.8
109.10150	66.8
111.04446	4.9
111.08079	5.2
113.05993	4.7
117.06995	6.8
119.08577	17.4
121.06517	11.1
121.10151	13.9
123.04477	2.1
123.08051	13.4
123.11687	9.3
125.09637	7.4
127.07554	4.6
129.06987	5.3
131.08571	11.9
133.06473	4.6
133.10123	69.0
134.10432	1.9
134.51180	1.7
135.08015	9.1
135.11679	6.6
137.05919	2.1
137.09581	5.4
139.07539	2.6
139.11200	2.1
143.08556	5.1
145.10139	9.6
147.08032	9.6
147.11699	4.7
149.09605	6.7
149.13217	2.4
151.07509	1.8
151.11177	48.0
153.09111	2.1
157.10138	2.5
159.08020	2.0
159.11673	3.3
161.09604	10.3
161.13208	2.7
163.11165	4.2
165.09079	4.1
167.10681	1.8
169.12222	13.8
171.08250	1.4
171.11693	6.1
173.09700	1.5
175.11195	7.7
177.09116	1.8
177.12617	3.5
179.10619	2.8
181.08652	2.2
181.12181	2.4
185.13272	2.5
189.11168	3.2
189.12733	4.2
193.12213	3.4
195.79649	1.4
199.11220	2.3
203.14267	1.7
213.16447	1.7
215.12708	4.2
223.13255	6.0
227.17935	2.6
227.30409	1.5
228.14633	1.8
245.18874	10.4
255.17308	2.9
263.19922	8.2
265.45596	1.7
273.18478	29.2
291.16257	3.3
291.19528	58.7
292.19977	3.0
309.20615	20.4
309.24005	2.1
310.20944	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03944	5.7
55.01871	23.1
55.05512	30.6
57.03436	5.2
57.07061	2.7
65.03938	3.8
67.05506	67.1
67.31320	2.3
69.03426	4.2
69.07067	25.8
69.20315	4.0
69.20725	9.7
71.04990	10.3
74.10514	2.4
77.03896	2.8
79.05497	49.4
81.03419	5.5
81.07056	98.0
83.01349	3.5
83.04973	14.2
83.08620	12.7
85.02885	3.2
85.06533	8.2
91.05475	53.1
93.07043	52.3
95.04971	13.1
95.08609	41.7
97.06533	7.3
97.10194	3.9
99.04448	2.8
103.20036	2.5
105.04516	3.1
105.07032	49.7
107.04952	8.8
107.08589	54.1
109.06538	12.9
109.10155	85.2
110.10516	2.9
111.04425	4.0
111.08094	9.6
113.06013	5.4
117.06992	5.8
119.08571	17.0
121.06505	10.3
121.10133	14.6
123.08070	11.3
123.11702	14.8
125.09612	5.7
129.06996	3.5
131.08571	12.8
133.06470	4.8
133.10123	100.0
135.08035	6.9
135.11717	8.0
137.09592	4.6
139.07510	4.3
143.08553	8.1
145.06480	2.8
145.10130	8.4
147.08070	6.9
147.11690	7.6
149.09639	8.2
151.11179	71.3
157.10126	5.5
159.11610	2.7
161.09636	9.5
163.11180	5.9
165.09164	3.1
169.12239	18.3
171.11624	4.0
175.11206	7.5
177.09229	2.9
179.10674	5.0
181.12267	3.0
183.00186	2.4
197.11720	2.5
203.14330	3.9
215.12767	10.0
223.13190	2.8
245.19025	11.1
255.17386	4.0
263.20105	9.7
273.18439	29.2
291.19553	54.0
309.20663	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	309.2059
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03943	4.9
55.01874	22.0
55.05510	33.4
55.51864	2.0
57.03437	6.0
58.38176	2.1
59.05848	2.2
65.03933	5.5
67.05504	71.9
67.05866	3.7
69.03432	4.6
69.07061	30.7
69.37268	2.4
69.97601	4.5
71.04992	9.6
77.03920	3.5
79.05489	58.9
81.03407	6.4
81.07053	100.0
83.01351	3.4
83.04984	18.3
83.08620	10.6
85.06557	7.6
85.32650	2.4
91.05479	65.4
93.07047	61.9
95.04961	16.6
95.08608	41.6
96.58453	2.7
97.06543	11.3
97.10193	3.0
99.04424	3.5
105.04565	2.9
105.07030	59.0
107.04961	11.3
107.08584	51.7
109.06520	15.1
109.10152	75.5
111.04429	4.9
111.08090	9.9
113.05994	4.6
117.07019	10.0
119.08564	23.2
121.06477	12.8
121.10160	9.8
123.04456	4.7
123.08065	7.7
123.11700	12.1
125.06027	3.1
125.09676	2.9
127.07575	3.9
129.07016	8.8
131.08595	18.5
133.06488	11.4
133.10115	98.8
134.10435	3.5
135.08023	6.6
135.11694	11.6
137.05984	3.9
137.09622	6.0
139.07549	7.5
143.08571	10.1
145.10172	14.0
147.08051	11.3
147.11678	6.7
149.09618	9.9
149.13309	2.5
151.11166	54.6
153.09077	2.9
157.10138	7.2
159.11716	4.9
161.09587	15.7
163.11197	5.1
165.08957	4.1
165.12851	2.5
167.10695	4.6
169.12225	15.5
173.09677	3.2
173.13316	4.1
175.11220	6.7
177.09061	5.8
177.12685	3.0
185.13297	3.3
189.12758	5.2
194.40833	2.5
195.11751	2.9
203.14268	4.5
207.13870	3.2
215.12827	7.2
245.18982	16.5
255.17410	4.4
263.20108	14.2
273.18488	39.0
291.19513	68.9
291.22665	4.6
309.20532	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	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
51.36738	0.9
53.03929	1.5
55.01857	2.4
55.05511	16.5
57.03431	4.6
57.07066	4.0
58.39004	1.1
58.69173	0.8
59.05000	1.2
63.44869	0.8
65.03946	1.9
67.05504	39.7
69.06706	1.3
69.07062	15.1
69.08616	6.7
71.04977	2.6
71.08630	54.4
77.03939	1.5
79.05492	42.3
80.05824	1.1
81.03425	6.4
81.07056	45.6
83.04980	12.7
83.08619	8.5
85.06535	2.9
87.08119	1.2
91.04944	1.9
91.05476	25.8
93.07041	57.0
94.07365	1.2
95.04964	9.5
95.08602	35.1
97.06526	9.9
97.10155	4.7
99.08091	46.8
105.04488	2.0
105.07035	17.5
107.04950	6.5
107.08589	28.4
109.06501	2.9
109.10152	12.3
111.08073	3.1
113.09606	2.3
117.07005	3.9
119.08575	13.9
121.06495	1.1
121.10144	28.5
123.08112	1.9
123.11755	1.7
127.11153	1.6
129.06982	2.7
131.08537	4.8
133.10133	11.9
135.11685	36.7
136.12054	1.3
137.09630	5.5
139.11186	1.3
141.09097	3.4
143.08508	1.5
145.10127	5.9
147.11682	5.0
149.13252	10.1
151.11189	16.7
153.12685	3.3
157.10072	1.7
159.11649	4.2
161.09567	1.0
161.13239	12.3
163.11194	7.7
163.14793	2.6
165.12750	1.4
167.10657	1.7
171.11694	1.7
175.14841	1.8
177.12733	3.6
179.14307	100.0
180.14676	3.2
181.12158	1.1
183.46095	0.8
185.13257	2.5
189.12697	2.5
195.13794	2.6
198.72226	0.9
199.14792	1.4
207.13885	1.1
221.15367	2.2
231.21106	1.1
235.16878	3.5
241.19501	2.5
259.20602	5.8
277.21619	56.3
278.21967	3.5
309.24149	4.0
333.21121	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2787
Annotation	Vulgarol
Peak:m/z	Relative Intensity
53.03941	2.9
55.01872	2.2
55.05511	18.5
57.03438	4.0
57.06858	0.8
57.07081	8.4
59.05000	7.8
65.03941	1.0
67.05504	29.1
67.22041	0.7
69.03426	2.7
69.07066	35.8
70.07422	0.9
71.04990	12.3
71.08620	2.7
73.06559	1.5
79.05489	20.9
81.03413	4.1
81.07053	100.0
82.07378	1.4
83.04998	2.3
83.08613	18.7
85.02892	1.7
85.06540	10.2
91.05483	7.8
93.07043	25.7
95.04961	5.1
95.08602	75.9
96.08913	0.9
97.02885	0.8
97.06522	5.3
97.10159	10.8
98.23423	2.1
98.98476	2.8
99.08093	14.4
100.11258	1.1
103.05447	1.1
105.07022	10.2
107.04951	2.7
107.08591	22.7
109.02871	1.7
109.06516	4.6
109.10152	52.1
110.10483	1.8
111.04443	0.9
111.08078	7.6
111.11720	5.1
113.06025	1.8
113.09642	1.9
117.07007	3.9
117.09129	1.5
119.04927	3.9
119.08582	6.8
121.06498	2.0
121.10142	17.5
121.10988	1.3
123.08092	2.4
123.11702	78.9
124.12047	2.3
125.09622	4.6
125.13230	2.2
127.07568	1.6
127.11189	10.8
129.07021	2.2
131.08583	3.3
133.10117	6.4
135.08009	3.7
135.11682	14.9
137.06036	0.9
137.09610	2.6
137.13239	14.3
139.11223	2.7
141.12761	3.3
143.08595	1.9
145.10118	2.0
147.04402	20.3
147.08061	2.2
147.11711	3.7
149.09595	2.1
149.13252	19.2
150.13765	0.7
151.11197	3.0
151.14822	9.7
153.12755	7.3
155.00809	0.9
155.14313	1.3
157.10112	1.8
159.11742	1.6
161.09601	1.2
161.13304	2.6
163.14777	6.1
165.05434	0.8
165.12822	0.8
165.16435	1.1
167.14325	4.2
169.12250	1.8
173.07651	0.7
173.13287	0.8
175.11154	0.8
175.14803	1.6
177.05508	1.0
177.16389	5.0
182.15414	1.5
185.13264	0.8
187.14793	0.9
189.11189	2.8
189.12685	0.9
189.16415	2.6
191.17960	3.1
193.15875	1.0
193.19543	2.4
195.08151	0.7
203.17979	3.3
205.19435	5.3
209.19012	1.4
217.06479	1.2
217.15887	1.9
217.19537	3.5
218.07365	0.8
221.09552	1.8
221.18889	0.9
223.13344	2.4
223.20566	4.8
233.75893	0.8
234.06808	2.5
235.20595	1.4
247.24495	0.8
249.09084	2.4
250.10439	0.9
251.07199	0.9
261.25742	2.1
262.06271	1.4
263.20020	0.8
265.25305	1.4
273.18436	4.9
273.25708	6.5
277.08636	4.6
279.26810	5.3
281.11810	3.2
291.08566	0.9
291.19534	11.7
291.26816	13.5
292.19885	1.1
294.08746	1.0
309.07724	1.0
309.11108	10.1
309.14343	1.4
309.20691	4.7
309.27847	23.0
310.11957	0.9
310.23865	1.5
310.28223	1.7
314.03726	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.279
Annotation	Vulgarol
Peak:m/z	Relative Intensity
50.25369	0.9
53.03951	2.4
55.01871	1.7
55.05255	1.5
55.05512	20.8
56.30735	0.9
57.03438	4.5
57.07076	8.2
59.04996	7.5
63.24222	0.8
67.05502	27.3
69.03436	2.9
69.07070	35.5
69.07451	1.8
70.07432	0.9
71.04996	14.8
71.08634	3.3
71.24023	0.9
73.06557	1.2
79.05489	22.3
81.03423	3.6
81.07057	100.0
82.07414	1.6
83.04972	2.7
83.08620	22.0
84.08119	1.1
85.02883	1.4
85.06546	10.6
85.10178	0.9
87.04453	1.4
88.62492	0.8
91.05476	9.6
93.07042	22.0
94.07375	1.1
95.04979	4.4
95.08608	77.3
96.08964	2.0
97.06535	5.5
97.10173	10.6
98.98475	3.3
99.08095	15.5
100.11253	5.8
101.06007	0.9
105.04543	1.2
105.07043	8.8
107.04967	2.6
107.08596	24.4
109.02915	2.8
109.06508	3.8
109.10156	51.6
110.10522	1.4
111.04415	1.1
111.08070	6.2
111.11716	5.0
112.77771	1.0
113.06025	1.9
113.09635	2.5
117.07042	1.3
117.09152	1.0
119.04967	4.3
119.08562	6.4
121.06492	1.0
121.10141	15.0
123.08073	2.3
123.11706	71.7
124.12050	1.5
125.09640	5.0
125.13281	2.4
127.07507	1.2
127.11185	10.1
129.06993	1.5
131.08615	1.9
133.10149	4.8
135.08109	2.1
135.11690	14.8
137.09644	3.5
137.13243	12.1
139.11183	1.6
141.12782	3.4
145.10089	2.2
147.04405	17.2
147.08163	1.0
147.11684	4.7
149.13260	17.5
151.11201	2.5
151.14828	8.6
153.12718	6.2
155.14311	1.2
157.10178	1.5
159.11671	0.9
161.09599	1.8
161.13284	3.4
163.14833	6.9
165.09154	1.4
165.12737	1.1
165.16409	1.2
167.14325	4.0
169.12175	1.5
175.14859	2.3
177.16414	3.4
180.29060	0.8
182.15416	5.8
189.11221	1.6
189.16408	2.9
191.08504	0.9
191.17949	2.5
197.18964	1.0
203.17973	3.8
205.19528	6.1
210.14917	2.3
217.19513	2.6
221.09607	1.2
223.07570	1.0
223.13312	1.4
223.20578	6.7
234.06795	2.3
235.07448	1.6
235.20596	1.2
249.09163	2.9
261.25839	2.5
262.06238	1.6
263.06888	1.1
273.18542	3.1
273.25687	6.2
277.08627	6.9
279.26779	5.5
281.11713	2.8
291.19534	7.7
291.26785	11.3
294.08975	1.3
302.22183	1.0
309.04044	1.1
309.11151	11.2
309.14508	2.3
309.21204	3.5
309.27832	22.2
310.11993	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.3
57.03434	2.1
69.30156	1.6
71.01349	1.0
79.52097	0.4
85.02901	41.4
86.50841	0.4
91.05461	0.4
103.03909	0.6
110.06059	0.4
113.02372	2.2
113.06003	1.0
114.25140	0.4
118.06560	0.7
120.08098	100.0
121.08440	2.5
131.03398	2.5
131.07039	0.6
138.38533	0.3
146.09647	0.5
148.07565	1.1
155.21779	0.3
180.10217	0.8
218.75009	0.3
232.09680	1.1
250.10732	58.6
251.10992	2.4
278.10257	1.2
310.12827	54.0
311.13138	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	310.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.5
57.03439	3.0
57.07084	0.7
67.05505	4.7
69.03421	1.2
69.64545	1.8
71.01334	0.7
71.04636	0.7
71.04996	9.9
85.02908	49.7
85.06546	3.4
86.03244	1.6
87.04482	0.6
91.05482	0.4
92.05003	0.5
92.47786	0.4
95.04993	3.0
97.02898	1.2
98.22664	0.9
103.03967	0.7
105.05756	0.5
110.06068	0.7
113.02351	1.4
113.06012	25.4
118.06538	0.8
120.08105	100.0
121.08440	2.2
127.03918	1.4
131.03415	3.0
131.07040	19.7
139.48155	0.4
144.51752	0.4
145.04962	1.6
146.09644	1.1
148.07602	0.9
163.03889	0.6
163.06020	0.9
180.10197	0.9
189.81157	0.4
232.09727	1.1
250.10750	61.4
251.11148	2.6
278.10242	1.3
298.46643	0.4
310.12854	49.0
311.13300	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	310.1648
Annotation	Fulvine
Peak:m/z	Relative Intensity
55.01878	1.3
55.05497	1.0
59.04999	0.4
67.05516	0.2
69.07065	4.8
69.50299	0.7
69.84801	0.2
70.33359	0.2
73.02916	4.7
73.06556	2.8
79.05467	0.3
87.04485	1.4
91.05492	0.7
97.06519	0.6
100.90660	0.2
104.17738	0.2
109.02918	0.2
109.06527	0.2
117.05716	0.4
118.06536	2.9
120.08073	0.4
120.80762	0.2
134.09637	0.6
136.07564	0.8
137.05945	0.8
143.29324	0.2
146.06001	13.5
147.04477	0.3
147.06346	0.3
164.07059	7.6
165.07732	0.4
166.05022	0.2
168.05067	0.2
178.08626	25.7
179.08948	0.9
181.07353	0.4
187.07565	0.4
191.08508	0.3
196.09692	23.8
197.10023	0.7
200.87956	0.2
219.07927	0.5
222.11316	0.3
224.09166	0.2
247.07585	0.3
250.10724	2.5
250.53694	0.2
251.10921	1.1
251.14851	0.3
278.13873	1.1
279.10150	0.8
292.15366	3.2
310.16470	100.0
311.12848	0.9
311.16751	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	310.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23178	0.3
55.05497	1.3
59.04987	1.3
61.32570	0.4
69.03420	0.4
69.07069	6.5
69.36543	1.5
73.06554	3.4
86.06048	0.9
87.04451	0.9
91.05463	1.0
93.07041	0.6
97.06514	0.4
107.08573	0.4
108.08128	0.5
117.05743	1.0
118.06535	4.4
120.08031	0.4
121.06419	0.4
125.25716	0.4
127.03960	0.4
134.09660	0.9
136.07562	1.1
137.05992	0.5
146.06006	21.9
164.07063	8.5
165.05396	0.4
175.10677	0.4
178.08623	40.4
179.08958	1.6
181.07375	0.8
196.09689	51.7
197.09990	1.3
210.11320	0.5
224.09161	0.6
250.10776	0.9
278.13837	1.1
281.05676	0.4
292.15274	0.8
310.16467	100.0
311.16794	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	310.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01876	7.4
55.05513	30.1
56.05034	17.1
57.03436	7.8
57.07086	3.1
58.06605	3.1
59.05027	1.5
60.21904	1.7
65.03944	3.6
67.05506	73.2
69.03426	5.0
69.07069	67.8
70.06621	2.5
70.54823	1.7
71.04993	6.7
74.09811	1.5
76.21568	1.3
79.05492	52.8
79.08762	1.4
80.04613	1.4
80.05002	9.4
81.03416	9.2
81.07055	100.0
81.94167	1.6
82.06600	2.8
82.07407	2.0
83.04983	12.9
83.08620	20.2
84.08120	2.0
85.06544	7.2
91.05480	44.5
91.06059	2.4
93.07043	43.7
94.06564	4.4
94.07408	1.8
95.04971	19.6
95.08607	48.4
96.08127	1.4
96.37513	1.7
97.06532	15.2
97.10163	6.8
98.09695	33.6
99.08074	2.1
105.04501	2.3
105.07027	40.2
106.06609	1.6
107.04961	6.2
107.08588	35.8
108.08090	1.4
109.06516	14.3
109.10149	21.7
111.04432	2.4
111.08090	9.4
113.06033	3.5
115.05443	2.2
117.07030	11.2
119.08582	35.0
120.08148	2.4
121.06522	4.3
121.10146	20.2
123.08067	14.2
123.11684	10.5
124.11246	2.7
125.09637	5.6
127.07529	2.8
129.06963	3.5
131.08563	18.2
133.10126	32.3
135.08066	5.3
135.11716	11.2
137.09590	10.2
139.11194	2.5
143.08562	2.8
145.10112	14.3
147.08015	2.0
147.11688	27.0
149.09625	12.4
149.13237	6.4
151.11205	4.3
157.10109	3.5
159.11688	11.5
161.09612	1.7
161.13263	6.8
163.11165	8.2
165.12708	4.7
169.10139	1.7
171.11668	5.3
172.13307	1.5
173.12010	1.6
173.13231	7.8
175.11241	2.6
176.14365	2.8
177.12787	4.1
179.14258	2.1
181.12335	1.7
183.11737	2.3
185.13168	1.6
186.96175	1.5
187.11249	2.1
193.12233	3.5
194.15393	6.0
195.13809	6.8
197.13309	1.8
198.14903	11.5
200.54411	1.4
203.14336	1.8
204.13791	12.0
207.13834	2.8
209.11758	6.5
212.16440	17.0
219.17514	2.1
222.14893	22.9
223.13286	2.2
225.14908	2.8
229.19553	2.6
233.15088	1.8
237.11208	4.5
237.14864	2.8
239.17888	4.3
247.20482	3.8
257.19101	7.0
263.20047	2.9
272.20105	3.2
274.21689	2.7
275.20068	45.1
290.21075	4.3
292.19894	3.6
292.22681	59.6
293.20871	15.5
310.20126	2.1
310.23697	39.0
311.24316	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.4
55.05513	4.6
57.03433	0.9
57.07068	5.7
57.57349	0.5
62.98256	13.8
63.90064	0.6
67.05505	7.4
69.07059	4.8
71.04968	0.8
77.96914	0.7
79.05481	5.6
80.05812	0.7
81.03404	1.0
81.07059	8.7
82.07376	0.7
83.04968	2.7
83.08620	3.8
85.06585	0.5
91.05478	4.8
93.07040	5.4
94.07410	0.7
95.04971	4.9
95.08598	5.4
97.06519	1.0
97.10171	1.7
99.08068	1.0
105.07021	4.5
107.04945	1.8
107.08585	4.5
109.06474	1.8
109.10159	3.1
110.10468	0.5
111.04434	2.7
111.08040	1.4
116.99257	3.4
117.06956	1.4
119.08581	2.8
121.06496	1.2
121.10125	3.3
123.08038	1.0
123.11657	0.8
125.06045	0.6
125.09620	1.4
129.07008	0.9
131.08542	1.7
133.10094	2.9
135.08075	0.5
135.11638	0.7
137.09593	1.1
139.11189	0.7
145.10115	2.0
147.11705	1.8
149.09593	1.9
149.13187	0.7
153.05444	2.0
157.10167	0.6
159.11684	1.2
163.11176	2.1
165.12743	0.6
173.05412	0.7
173.11836	0.6
173.13235	0.9
181.05016	1.0
181.12305	1.2
189.11188	1.3
191.10672	2.3
192.58635	0.5
195.13730	0.8
208.08624	0.6
209.11713	14.7
211.13174	0.6
223.13338	2.1
229.41466	0.5
231.17709	0.5
235.17050	0.7
237.11201	13.6
238.11591	0.7
239.17924	0.9
241.08098	3.7
242.08891	0.8
255.12244	4.0
257.18942	0.9
275.20093	8.0
276.20352	1.1
289.16510	1.8
293.14801	8.8
293.17471	1.0
293.20993	2.3
293.23566	1.3
294.21304	1.3
307.17734	1.2
311.15887	100.0
311.23840	2.3
311.74368	0.5
312.16122	5.7
333.03809	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03952	3.2
55.01870	10.1
55.05510	40.6
57.03432	4.5
57.07080	2.3
59.05003	4.7
59.61162	1.6
65.03930	3.5
67.05504	100.0
67.45370	1.4
69.03430	7.6
69.07066	30.5
71.04992	6.2
79.05492	43.9
80.98994	1.5
81.03417	5.2
81.07053	77.3
82.07352	2.1
83.04985	8.4
83.08611	23.3
85.02908	1.7
85.06533	5.4
91.05480	43.4
93.07044	45.9
95.04960	14.1
95.08601	55.4
97.06525	7.8
97.10164	22.1
98.23450	3.3
99.08092	3.8
103.05466	3.5
105.04495	2.3
105.07021	37.3
107.04951	6.9
107.08586	37.1
107.09261	2.9
109.06520	8.0
109.10156	56.2
111.08088	6.6
111.11674	2.4
115.03898	1.6
115.05482	3.4
117.07022	11.4
119.08585	29.9
121.02870	2.1
121.06493	7.8
121.10130	21.9
123.08070	6.2
123.11720	7.3
125.09619	18.3
129.06996	2.5
131.08563	19.3
133.10130	32.1
135.08038	9.3
135.11702	8.1
137.06009	1.7
137.09608	12.2
137.13249	3.0
139.11183	4.5
141.06975	3.1
143.08565	3.3
145.06526	2.1
145.10106	19.0
147.11678	17.6
149.09615	15.9
149.13252	4.5
151.11188	4.0
153.09070	2.7
155.08600	3.6
155.10658	8.7
157.06487	3.2
157.10149	2.9
159.11705	14.7
161.02338	3.1
161.09700	2.5
161.13275	3.1
163.03963	2.0
163.11203	9.8
165.12749	2.9
169.07593	1.7
169.10114	2.5
171.11697	2.3
173.02345	3.4
173.11766	30.9
173.13254	3.7
175.11229	3.6
177.12749	3.5
179.10753	2.4
179.14287	2.1
181.12260	3.2
183.11707	2.1
185.05971	1.8
187.11180	1.8
189.11162	11.3
191.08531	1.8
195.13860	3.8
197.13208	4.4
199.03972	4.3
199.14854	2.3
210.09241	2.2
213.05490	9.3
223.13239	3.1
235.16936	3.2
239.17926	7.9
247.20624	4.0
249.18544	1.9
257.19016	12.0
265.21539	1.9
267.13913	2.5
268.14398	1.7
275.16611	8.3
275.20044	86.2
276.20319	5.0
293.11716	2.6
293.21042	16.5
303.56665	1.6
306.60468	1.6
311.09192	1.6
311.14905	13.1
311.22058	2.5
311.75354	1.6
312.15549	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.68842	1.7
52.06865	2.2
53.03965	2.9
55.01870	6.4
55.05512	22.6
57.03442	4.5
57.07063	3.3
65.03951	2.3
66.14459	2.1
67.05506	61.0
69.03429	2.5
69.07073	26.3
69.61145	6.0
69.61567	3.5
71.05003	4.8
79.05494	37.5
81.03419	3.3
81.07060	61.3
83.04996	6.5
83.08630	14.2
85.06541	4.4
91.05487	36.7
93.07050	38.9
95.04971	8.7
95.08607	38.8
97.06528	7.3
97.10190	5.7
99.08089	2.7
103.05499	3.0
105.07037	43.0
107.04958	5.9
107.08597	28.9
109.06517	7.3
109.10168	24.9
111.08080	6.0
112.91174	1.8
117.06995	10.6
119.08590	30.9
121.06504	3.5
121.10142	22.4
123.08094	6.7
123.11712	6.3
125.09650	7.3
129.07045	2.1
131.08575	17.3
133.10141	39.7
135.08067	7.7
135.11700	11.5
137.09604	6.0
143.08536	2.4
145.10114	14.1
147.07986	3.1
147.11722	18.6
149.09628	13.0
149.13254	8.8
151.11185	4.1
155.10684	3.7
157.10158	3.3
159.11711	13.3
161.13264	2.7
163.11194	7.7
165.12727	3.2
169.10255	2.4
171.11728	3.5
173.11752	5.8
173.13284	5.8
175.11176	3.3
177.12773	5.9
185.13324	2.7
189.11205	2.2
195.13705	9.4
229.19588	5.4
235.16895	5.8
239.17966	8.5
247.20657	4.0
249.18477	2.8
257.18997	13.1
275.20068	100.0
276.20432	6.9
293.21082	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	311.2219
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03948	4.8
55.01620	6.1
55.01871	78.4
55.05511	56.1
57.03431	14.5
57.07074	28.7
66.44753	3.6
67.05164	4.8
67.05508	70.9
68.15884	3.9
69.03419	5.3
69.07067	39.5
69.29594	5.4
69.29990	11.7
71.04999	6.5
71.08622	11.7
73.34590	3.1
79.05497	42.7
81.03410	11.0
81.07058	62.7
83.04972	13.1
83.08619	25.6
84.28024	3.8
85.06553	12.1
86.55090	3.4
91.05482	26.8
93.07056	33.2
95.04957	23.4
95.08607	58.3
97.06520	10.2
97.10159	15.3
99.08089	10.0
105.07012	15.1
107.04950	21.7
107.08603	24.5
109.06508	10.4
109.10167	30.1
111.04420	10.1
111.08091	7.2
117.06994	6.1
119.08582	20.7
121.06506	5.6
121.10130	20.9
123.08059	13.0
124.97902	3.8
125.05972	5.2
125.09633	100.0
131.08517	8.0
133.10104	6.1
135.08049	13.7
135.11705	13.0
137.09615	19.0
137.13243	5.2
139.11186	10.4
141.09085	4.7
145.10182	5.4
149.09627	8.9
149.13248	7.7
151.11163	27.9
153.05412	9.6
159.11688	6.0
161.09572	3.9
163.11092	7.9
163.14864	4.5
167.10649	18.1
173.13300	4.6
177.12738	20.1
181.12207	12.3
191.10701	6.0
191.14267	8.0
195.13699	4.9
209.11722	47.6
229.19487	5.8
237.11203	50.7
247.20444	6.3
255.12288	13.5
257.18912	8.6
265.21671	8.6
273.67877	3.5
275.20114	34.9
293.17831	6.1
293.21027	35.7
311.15680	5.3
311.18842	6.9
311.22375	7.8
311.25821	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	311.2217
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03946	6.4
54.43234	1.6
55.01868	18.4
55.05511	15.7
57.07076	29.8
67.05502	38.6
69.03428	7.2
69.07066	16.8
69.34566	9.0
71.04987	7.3
77.03926	1.7
77.27718	1.4
79.05494	24.0
80.05904	1.7
81.03431	13.9
81.07057	51.4
81.67841	1.5
82.07388	2.2
83.04980	17.4
83.08588	8.6
85.02898	14.1
85.06532	4.4
85.10124	1.5
88.14913	1.7
91.05468	27.8
93.07041	27.9
94.07378	2.8
95.04969	28.0
95.08598	21.6
97.06537	11.5
97.10158	2.4
98.97635	1.5
99.04436	3.9
99.08103	5.2
105.07021	22.2
106.07330	1.7
107.04955	12.8
107.08585	24.5
109.02882	5.0
109.06523	7.2
109.10147	28.9
111.04435	30.4
111.08073	8.0
113.06014	2.2
117.07034	5.1
119.08607	13.5
120.08917	3.1
121.06474	2.7
121.10139	10.0
123.08051	7.8
123.11715	5.1
125.05982	6.5
125.09644	4.1
127.07557	2.5
131.08585	7.2
133.10136	32.3
134.10545	2.3
135.04419	3.4
135.08037	4.2
135.11673	9.7
137.09657	4.3
143.08565	3.9
145.06523	2.7
145.10143	8.7
147.11711	6.9
149.09624	7.5
149.13249	3.2
151.11182	13.2
153.05467	17.1
156.56166	1.8
159.11685	6.0
161.09537	1.8
161.13257	2.8
163.11182	11.2
165.09164	2.3
169.10172	2.4
169.12227	5.0
173.13225	2.3
177.12744	5.2
179.14310	2.6
181.04991	5.2
181.12242	7.4
187.11171	4.1
191.10686	12.1
191.12155	1.7
195.13824	9.8
209.11717	100.0
210.12099	3.7
213.31700	1.8
221.15346	10.3
223.13330	14.8
229.19601	2.3
235.17010	5.8
237.11198	88.8
238.11563	2.3
241.14359	4.5
247.20566	2.7
248.09937	1.7
255.12242	27.6
257.19009	2.5
275.20068	34.4
276.20459	3.6
293.17487	10.5
293.21127	44.3
294.21497	3.0
299.23053	1.6
311.18533	9.8
311.24435	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	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
51.90466	2.3
53.03957	4.3
53.13812	2.3
55.01868	13.3
55.05510	35.1
56.05025	2.9
56.05846	2.5
57.03445	11.0
57.07072	8.1
58.06620	2.1
65.03921	3.0
66.17503	2.0
67.05502	70.9
68.05841	5.4
68.63523	1.9
68.94953	2.0
69.03427	10.4
69.07066	47.4
70.07416	4.1
71.04980	8.1
74.21916	2.0
75.13154	1.9
75.27074	2.2
79.05489	50.1
80.05798	5.4
81.03423	8.0
81.07055	100.0
82.07386	8.6
83.04978	12.7
83.08622	20.8
85.06544	6.3
91.05480	39.6
92.05824	4.4
93.07043	51.6
94.07385	4.4
95.04974	15.4
95.08607	48.3
96.08942	5.4
97.06536	10.3
97.10155	7.4
97.84951	2.1
98.09679	8.1
99.08066	4.4
99.10022	3.6
105.04533	2.5
105.07027	42.0
105.27642	2.3
106.07378	6.2
107.04948	7.2
107.08588	37.7
109.06508	18.6
109.10148	29.1
110.10545	2.5
111.04440	5.6
111.08070	12.8
117.07015	9.2
119.08580	33.3
120.08932	3.1
121.06541	7.6
121.10146	27.9
123.08076	10.4
123.11699	9.0
125.05953	4.2
125.09626	7.0
129.07008	4.8
129.77814	2.1
131.08586	19.8
133.10123	33.3
134.10466	3.3
135.08041	7.2
135.11673	15.5
137.09586	8.1
139.11194	3.8
143.08536	2.8
145.10121	18.7
146.10452	2.7
147.07991	3.3
147.11667	20.5
148.12027	3.4
149.09596	11.6
149.13251	4.6
151.11200	7.1
153.05473	3.4
155.08522	4.1
157.10143	4.1
159.11716	11.9
161.09654	2.8
161.13245	8.5
163.11192	8.8
165.12727	4.1
169.10146	4.3
171.11696	5.0
173.13258	6.1
175.11107	3.5
177.12675	4.7
181.12241	3.2
185.13277	6.6
187.14854	2.4
189.11259	3.1
191.10580	5.5
191.14294	2.4
195.13745	2.4
197.13313	2.8
199.14961	2.5
201.16251	3.2
209.11734	23.2
213.16721	4.6
219.17308	3.2
223.13235	4.8
223.15231	3.2
229.19531	5.3
235.16887	5.4
237.11191	20.4
239.17873	5.2
247.20607	5.1
255.12373	2.9
257.18961	13.1
265.21780	4.2
275.20026	83.1
276.20380	13.0
279.98950	2.4
293.21088	24.1
293.23547	6.5
311.24048	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	311.2216
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03969	2.9
55.01874	33.2
55.05510	41.9
57.03445	5.0
57.07080	10.3
61.01603	2.3
63.17105	2.0
63.71791	2.0
65.03929	2.7
67.05503	63.3
68.99777	2.5
69.03432	3.0
69.07063	24.1
69.73077	2.3
69.73431	6.9
70.96341	2.0
71.04982	4.3
71.08636	10.8
71.40822	2.0
79.05497	27.0
81.03426	7.8
81.07054	55.1
83.04990	13.9
83.08617	19.4
85.02897	3.1
85.06541	3.2
90.68701	1.9
91.05481	23.6
92.05798	2.3
93.07036	28.8
95.04961	16.8
95.08603	29.9
96.82486	2.2
97.02903	2.6
97.06530	6.1
97.10162	17.5
98.22779	2.4
99.08092	6.6
102.42319	2.1
105.07025	20.1
107.04933	7.1
107.08578	22.9
109.06522	9.9
109.10147	27.4
111.04447	13.2
111.08073	6.3
117.07029	7.6
119.08565	19.5
121.06511	8.7
121.10125	17.5
123.08077	7.0
123.11756	5.2
125.06031	3.2
125.09616	29.1
127.07501	2.8
131.08583	8.9
133.10124	25.7
135.08076	7.5
135.11716	8.9
137.09616	11.3
139.11205	3.8
145.10159	6.5
147.08064	3.7
147.11711	8.0
149.09631	7.3
149.13309	3.8
151.11180	18.0
153.05443	4.9
153.12730	3.1
157.10162	2.7
159.11700	7.3
161.09624	4.1
161.13283	3.7
163.11203	9.4
165.09160	3.0
165.12907	3.5
167.10681	5.2
169.12262	3.6
173.13213	4.2
177.12744	8.5
181.12251	7.6
187.11243	3.9
189.11224	3.4
191.10669	4.0
191.14330	5.2
195.13777	3.8
201.86263	2.0
209.11720	31.6
229.19504	3.1
237.11205	20.9
245.53214	2.2
247.20653	3.0
255.12299	6.7
257.18976	3.8
265.21622	2.3
266.86511	2.0
275.20053	33.7
293.17798	3.9
293.21027	100.0
294.21353	6.1
311.15918	8.9
311.25778	5.1
311.31253	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03943	2.2
55.01872	9.3
55.05256	2.1
55.05510	30.4
56.96561	1.1
57.03431	4.2
57.07075	8.7
58.65431	1.2
67.05505	49.1
69.03420	1.9
69.07068	20.5
69.11411	7.3
71.04986	5.3
71.08623	2.5
79.05499	23.3
81.03429	7.1
81.07059	46.4
82.07374	1.3
83.04976	9.8
83.08617	19.3
85.02907	1.8
85.06560	5.7
85.10185	2.5
91.05480	17.9
93.07047	32.5
95.04972	15.0
95.08607	31.1
95.09206	1.2
96.08932	1.2
97.02905	3.7
97.06544	6.9
97.10170	6.7
98.22728	3.1
99.04445	4.3
99.08088	2.7
105.07034	20.2
107.04947	7.7
107.08591	25.5
109.06525	4.8
109.10160	29.1
111.04453	16.0
111.08125	5.9
113.09631	3.7
117.07040	4.1
119.08572	13.2
120.86378	1.2
121.06507	6.9
121.10143	14.9
123.04426	2.0
123.08081	6.1
123.11692	8.4
125.05986	1.9
125.09621	6.4
129.07031	1.6
131.08566	10.5
133.10133	23.3
135.08041	2.9
135.11694	12.8
137.09628	7.8
139.11197	1.9
143.08594	2.4
145.10114	10.2
145.89862	1.3
147.08041	2.2
147.11685	6.2
149.09604	14.0
149.13235	3.3
151.11160	12.2
153.12770	3.6
159.11740	6.4
161.09651	1.2
161.13187	1.9
163.11192	12.6
163.14801	1.8
165.09091	3.0
165.12727	2.3
167.10674	3.3
169.12300	3.9
173.13264	3.9
177.12749	4.6
181.12256	3.6
183.11784	1.5
187.11154	1.8
188.34016	1.3
189.11160	1.3
191.10678	2.0
191.14328	1.5
193.12224	1.8
193.15871	1.4
195.13847	2.4
205.12050	1.4
208.19165	1.2
209.11644	5.9
215.12720	1.8
219.13754	1.7
219.20943	1.4
223.13316	8.8
223.20732	1.2
229.19485	4.2
237.11263	3.8
237.15012	1.2
239.17963	2.2
247.20570	14.2
257.18942	6.5
265.21664	9.4
269.10577	7.1
275.17010	2.7
275.20065	58.1
293.21085	100.0
294.21555	6.5
311.22174	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	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03944	6.5
55.01873	22.0
55.05254	3.2
55.05509	43.8
57.03437	7.3
57.07076	13.1
63.47321	1.6
65.03941	3.1
67.02029	1.4
67.05502	100.0
68.05826	1.6
68.99804	1.8
69.03417	4.2
69.07066	38.5
69.70429	5.6
71.01350	2.1
71.04990	11.9
71.08635	3.9
73.06556	2.4
77.03958	2.5
79.05494	44.6
81.03423	10.0
81.07057	88.1
83.04974	17.0
83.08619	26.2
85.02905	3.7
85.06542	13.5
85.10180	6.6
91.05482	51.1
91.06052	2.6
93.07042	46.5
95.04967	20.5
95.08605	49.5
97.02909	4.4
97.06521	9.9
97.10184	8.6
98.23442	2.4
99.04430	7.6
99.08100	6.7
105.07031	48.9
107.04972	11.5
107.08598	48.4
107.09343	1.9
109.06531	14.1
109.10152	77.9
111.04445	14.6
111.08105	9.2
113.06021	4.5
113.09650	6.6
117.07028	8.7
119.08572	22.7
121.06516	10.5
121.10145	17.3
123.04450	3.7
123.08056	13.8
123.11729	13.3
125.05990	2.2
125.09643	10.0
127.07541	4.1
128.06238	1.6
129.06985	3.1
131.08562	17.0
133.06505	3.0
133.10126	83.1
134.10434	2.0
135.04445	9.5
135.08080	6.7
135.11682	15.4
137.09584	14.8
137.13226	2.9
139.11163	3.5
141.09085	2.8
145.10117	13.3
145.29790	1.5
147.08023	2.2
147.11708	11.1
149.09621	15.5
149.13293	7.0
151.11176	58.8
153.12772	4.8
157.10126	2.6
159.11612	9.0
161.09630	8.2
161.13287	6.2
163.11197	14.9
163.14854	4.8
165.09105	5.3
165.12804	5.6
167.10646	3.2
169.10136	2.4
169.12244	15.2
171.11691	2.3
173.09625	2.1
173.13293	6.3
175.11240	2.6
177.12740	5.2
179.10648	3.0
181.12263	2.6
183.11699	3.0
187.11278	3.0
187.14912	1.8
191.10568	1.9
191.14427	2.1
193.12283	2.8
195.13850	4.7
197.13306	2.9
201.12675	3.5
209.11769	7.1
209.15245	1.7
215.12715	3.0
219.13754	2.1
223.13319	6.0
229.19505	5.4
237.11035	2.1
239.18011	3.5
247.20546	14.7
251.20117	2.2
257.19019	9.7
265.21658	7.5
275.20056	75.5
276.20361	5.1
293.21085	94.1
294.21378	4.9
311.22314	3.5
311.25833	8.0
312.32544	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	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
51.01522	1.3
53.03952	4.0
55.01874	82.6
55.05512	44.7
57.03445	3.4
57.07067	8.6
65.03944	2.1
67.05508	45.4
67.05869	2.5
69.03438	3.7
69.07076	16.0
69.79696	4.6
71.01348	1.9
71.04993	5.2
71.08315	1.2
71.08626	8.0
74.44292	1.3
79.05494	26.9
81.03433	9.2
81.07056	43.2
82.07369	1.5
83.04984	9.7
83.08618	8.7
85.06549	3.0
91.05482	23.9
93.07047	24.7
95.04972	18.6
95.08607	31.4
96.08942	1.4
97.02910	1.9
97.06538	6.0
97.10158	13.1
98.22615	1.4
99.04478	2.1
99.08082	7.1
100.00919	1.4
105.07037	13.7
107.04966	15.1
107.08588	13.9
109.06541	9.1
109.10151	15.1
111.04462	4.5
111.08085	3.3
117.07024	9.2
119.08585	13.0
120.21634	1.3
121.06529	4.7
121.10159	10.4
123.08073	7.2
123.11697	1.8
125.09633	100.0
126.10002	2.9
129.07080	1.6
131.02080	1.2
131.08566	7.8
133.06502	1.4
133.10127	9.3
135.08069	13.7
135.11731	5.1
137.09610	14.1
139.11165	3.1
141.09093	1.9
143.08569	1.7
145.10136	8.7
147.08009	3.1
147.11678	1.9
149.09613	7.2
149.13245	3.3
150.32483	1.3
151.11186	25.2
152.11545	2.2
153.05426	1.6
153.12773	2.2
155.10732	1.7
157.10149	2.4
159.08127	2.0
159.11696	7.1
161.09576	3.2
163.11186	6.4
163.14796	1.8
165.09079	2.3
167.10645	4.1
167.14241	2.2
169.10178	2.8
169.12289	2.1
173.09636	2.1
173.13336	2.2
177.09268	1.5
177.12744	15.3
179.14352	1.9
181.12262	7.3
187.11198	3.6
191.14287	9.8
193.12317	2.7
195.13820	7.7
205.15802	1.7
209.11676	9.0
215.17966	1.5
229.19577	4.2
237.11172	7.3
239.17950	2.3
247.20560	6.0
255.12169	2.0
257.19031	11.9
265.21689	2.7
275.20084	28.8
293.18002	1.2
293.21091	31.8
294.21475	1.9
311.22128	3.6
311.25964	2.4
312.32684	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
50.99583	3.3
53.03938	3.9
55.01620	6.3
55.01873	79.3
55.05255	4.9
55.05508	57.9
57.03420	13.4
57.07072	29.3
57.81122	3.7
60.05928	3.7
65.03953	5.2
65.07346	4.0
65.45471	3.8
67.05163	5.8
67.05502	84.0
67.61743	3.7
69.03419	6.1
69.07066	38.7
69.78650	8.1
69.79035	7.7
71.04986	12.6
71.08611	5.9
71.69176	3.5
79.05492	38.2
81.03415	10.9
81.07053	72.3
83.05000	21.7
83.08625	23.1
83.54198	4.4
85.06531	8.2
90.00053	4.0
91.05479	26.8
93.07037	44.4
95.04971	26.4
95.08605	89.1
97.06516	18.9
97.10157	17.2
99.04472	4.9
99.08098	12.7
105.07027	18.3
107.04960	20.0
107.08571	22.8
109.06504	12.8
109.10148	29.2
111.04443	15.4
111.08069	8.1
113.05997	4.6
117.07014	10.8
119.08598	15.3
121.06447	6.5
121.10117	20.3
123.08028	8.9
123.11743	5.7
125.05964	6.6
125.09622	100.0
131.08560	11.2
133.10121	13.8
135.08040	10.7
135.11696	11.3
137.05988	6.1
137.09599	16.7
139.11148	8.6
141.09125	6.9
145.10081	9.2
147.11670	5.8
149.09610	9.4
149.13237	7.2
151.11166	28.3
153.05408	10.5
157.10103	5.8
159.10159	25.3
159.11638	9.5
163.11237	8.5
163.14865	5.6
165.09238	4.1
167.10655	22.8
171.11588	3.9
173.13203	6.5
177.12747	17.2
177.14183	3.5
178.07080	3.8
181.04855	4.8
181.12216	12.2
191.10687	7.6
191.14294	10.6
195.13783	9.7
209.11723	49.2
229.19612	5.9
233.60605	3.9
237.11185	41.8
238.11516	4.4
239.17924	4.3
239.40677	4.3
247.20647	6.7
255.12219	12.8
257.19089	11.7
265.21689	39.4
275.20023	26.7
293.14362	4.7
293.18109	6.5
293.21078	34.8
311.18652	8.1
311.22269	8.6
311.25754	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
54.42968	0.5
55.01870	0.8
55.05510	45.5
56.05873	0.6
56.40080	0.5
57.03153	0.6
57.03438	19.1
57.07077	21.8
67.05505	7.2
69.07068	48.7
69.36025	0.7
69.36428	1.7
70.07404	0.8
71.08630	13.0
73.02904	0.4
75.04460	0.6
79.05497	4.4
81.07052	9.3
83.04981	1.2
83.08619	42.5
84.08951	0.5
85.06539	0.5
85.10173	5.2
86.61458	0.5
88.98834	0.4
91.05434	0.5
91.12432	0.5
93.07041	5.8
95.08588	6.3
97.06526	4.1
97.10167	28.4
98.10503	0.8
98.22699	1.0
99.08090	0.6
107.08594	3.5
109.10139	2.8
111.08092	2.6
111.11718	9.5
121.10141	5.4
123.11667	1.1
125.09636	1.4
125.13270	2.1
132.33226	0.5
135.11678	3.6
137.13245	0.9
139.11177	1.4
149.13255	2.0
153.12718	0.6
163.14821	1.2
192.04510	0.5
219.21140	1.6
230.39243	0.5
237.22278	1.1
311.25778	100.0
312.26126	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	311.2579
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
51.49284	0.4
53.03941	0.8
55.01865	0.9
55.05511	47.1
56.05843	0.7
57.03439	19.1
57.07076	21.3
67.05508	7.0
67.30842	0.5
69.07066	55.6
69.44586	1.6
70.07391	0.6
71.04982	0.8
71.08631	13.4
73.02906	0.6
73.06543	0.6
79.05493	3.7
81.07053	10.2
83.04948	1.3
83.08618	44.9
84.08939	0.9
85.10175	5.7
85.42210	0.5
93.07055	5.9
95.08598	7.2
97.06547	4.3
97.10167	32.8
98.10516	0.9
101.05992	0.9
107.08607	4.5
109.10146	2.1
111.08062	2.2
111.11722	9.4
116.10040	0.5
121.10152	5.9
123.11701	1.3
125.09645	1.0
125.13267	1.9
135.11684	4.0
137.13246	0.9
139.11203	1.5
149.13240	1.9
153.12741	0.9
163.14891	1.4
184.02231	0.6
219.21060	1.7
237.22310	0.6
311.25781	100.0
312.26120	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	311.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01889	1.0
55.05513	40.0
55.72749	0.5
56.05835	0.6
57.03440	18.4
57.07077	21.9
67.05509	6.7
69.07071	49.6
69.26543	2.4
71.08635	13.2
79.05502	4.0
81.07065	8.3
83.08622	39.4
84.08947	0.5
85.10186	4.5
91.05484	0.6
93.07043	6.1
95.08623	6.3
97.06532	4.3
97.10171	29.1
107.08589	3.6
109.10139	3.0
111.08050	1.8
111.11721	7.9
115.07542	0.6
121.10158	5.7
123.11723	1.3
123.57031	0.6
125.09641	1.4
125.13274	1.8
129.49281	0.5
135.11711	3.6
137.13194	0.7
139.11205	1.0
149.13246	1.9
163.14815	1.5
167.14232	0.6
219.21104	1.6
237.22137	1.2
238.44772	0.5
311.25793	100.0
312.26178	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	311.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
54.13949	0.5
54.34838	0.5
55.01870	1.1
55.05512	53.2
56.05848	1.0
57.03441	20.8
57.07076	24.3
67.05508	7.5
69.07068	55.1
69.34747	1.5
69.35147	1.2
70.07414	0.9
71.08631	15.2
73.06561	0.8
79.05481	4.8
81.07054	10.0
82.68385	0.6
83.04980	1.3
83.08620	49.3
85.10181	5.3
93.07040	5.6
95.08595	6.9
97.06540	4.7
97.10170	32.7
98.10508	0.6
98.23453	1.2
101.38741	0.5
107.08602	3.7
109.10138	2.4
111.08088	2.0
111.11720	8.8
115.07504	0.7
118.34370	0.5
121.10144	6.7
123.11755	1.3
125.09611	1.4
125.13256	2.2
127.49979	0.5
127.96471	0.6
135.11697	5.2
137.13271	0.9
139.11234	1.2
149.13255	1.7
153.12712	0.7
154.33229	0.6
163.14799	1.2
177.16434	0.5
190.01871	0.5
197.61354	0.6
219.21112	1.3
311.25787	100.0
312.26068	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83738	2.0
55.01856	4.1
55.05508	28.2
57.03424	6.8
57.07069	14.6
59.05009	2.4
65.03938	3.4
67.05504	31.2
69.03433	22.3
69.07066	61.2
70.07415	2.3
71.04969	3.0
71.08644	10.5
71.91556	2.0
79.05494	27.2
81.03427	4.8
81.07052	100.0
82.07388	2.4
83.04977	3.2
83.08619	32.4
85.02909	11.4
85.06541	10.9
87.04475	10.7
91.05472	9.5
93.07037	26.6
95.04951	8.4
95.08602	84.5
97.02894	13.1
97.06535	4.4
97.10159	24.4
99.04417	3.8
99.08109	11.4
103.05473	17.5
105.07015	10.6
107.04947	8.2
107.08583	21.4
109.06490	3.7
109.10148	45.3
111.04430	2.9
111.08075	8.8
111.11711	16.5
115.03936	16.6
119.08560	5.8
121.02859	9.8
121.06485	4.4
121.10142	16.0
123.10845	1.7
123.11700	33.5
125.02361	4.5
125.09621	4.6
125.13250	7.3
127.03918	4.1
130.96120	1.9
131.04932	6.8
131.08574	6.2
133.04956	21.1
133.10110	4.2
135.08035	2.8
135.11710	9.7
137.05972	10.5
137.13243	27.6
139.14827	2.8
145.05003	3.6
145.10155	3.8
149.02348	3.3
149.05920	2.5
149.09624	3.0
149.13257	19.5
150.07614	6.3
151.11206	3.1
151.14810	7.4
153.12743	2.8
157.64825	2.1
159.11707	3.5
161.02312	2.5
161.05983	2.7
162.07622	3.0
162.09154	2.8
163.14790	6.5
164.07069	11.1
165.16406	2.8
167.14296	8.1
173.02397	3.1
176.68573	2.2
180.08646	4.3
185.04547	2.1
187.03932	2.9
187.07530	3.5
191.08582	3.9
199.03847	4.3
201.05467	2.6
204.08774	2.5
213.05479	7.5
219.08116	4.0
244.18530	2.3
251.10718	5.4
267.13870	2.1
268.11786	3.5
275.20190	10.8
275.27258	2.6
279.10202	7.2
293.20972	3.3
293.28387	13.7
295.10162	2.6
301.02429	1.9
311.09128	8.4
311.12704	17.2
311.16385	4.2
311.23816	2.2
311.29410	6.9
312.12329	19.6
312.21854	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	312.1079
Annotation	Aeshynomate
Peak:m/z	Relative Intensity
55.01870	1.0
56.96563	0.2
66.65372	0.3
69.03425	1.0
70.06606	0.5
70.34939	0.5
71.01357	0.7
72.04539	0.3
73.02924	1.5
73.28392	0.3
79.05480	0.4
80.90365	0.3
85.02902	1.5
87.04477	0.4
91.05487	0.9
97.02892	0.6
98.23372	0.4
98.97569	0.6
99.00813	1.0
106.06551	0.6
107.04992	0.3
108.08110	0.5
109.91644	0.3
115.03928	0.7
115.07558	1.1
117.05752	1.0
118.06540	2.8
119.89191	0.3
120.04493	0.4
120.08080	0.8
123.08006	0.3
130.06522	1.9
133.04973	1.0
133.08577	0.3
134.09668	1.1
134.82469	0.3
136.07576	0.9
144.08070	1.0
146.06012	9.0
147.06354	0.4
148.03935	0.5
148.07550	0.3
150.05501	0.7
160.07550	0.3
164.07077	2.1
172.07555	1.2
178.08632	12.0
178.10204	0.6
179.09036	0.8
180.06581	1.0
188.06999	0.4
190.08606	1.9
196.09689	5.2
197.10112	0.6
204.10187	3.9
208.09738	0.5
216.06528	1.5
218.08116	2.3
222.11259	4.5
223.11678	0.4
234.07658	1.0
235.08305	0.5
236.09140	0.9
238.10896	1.4
248.09154	5.6
250.10768	5.4
252.08632	1.0
253.09383	0.7
261.42001	0.4
262.07123	1.2
266.10211	5.9
267.10654	0.5
268.11679	2.5
275.88870	0.3
276.08691	0.7
280.08145	3.3
282.06061	0.4
289.05984	0.6
294.09702	11.7
295.10022	1.0
297.08340	0.3
312.10754	100.0
312.13901	3.9
313.11130	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	312.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.2
57.03442	17.9
59.04998	5.9
60.04526	3.6
61.02925	5.1
67.05463	1.7
69.03431	69.9
69.27069	10.6
70.03785	2.5
70.50636	2.6
71.01345	3.2
73.02921	21.7
81.03409	5.1
81.07069	3.6
85.02908	56.9
86.00612	2.4
87.03965	3.8
87.04473	53.0
91.03932	2.0
91.05499	4.1
93.07055	4.2
97.02895	48.3
98.22755	3.9
99.04465	5.3
105.06979	2.4
107.04937	3.4
109.02863	4.7
115.03934	77.2
118.06556	3.7
118.44537	1.9
120.08074	3.5
121.06520	3.7
121.10149	4.7
122.10480	4.2
123.04422	3.4
123.71992	2.2
127.03917	8.6
133.04971	100.0
137.05954	2.6
139.03905	3.6
145.04019	2.2
145.04990	15.4
146.06017	7.6
147.08148	2.3
149.09622	2.2
150.05566	2.6
150.07610	22.1
158.02719	5.2
163.05943	3.2
164.10675	3.3
165.05504	3.0
169.04945	3.5
175.06032	2.1
178.08636	11.7
179.08975	4.8
180.08641	11.1
182.08102	2.4
196.09697	4.4
198.10184	4.1
200.88188	1.9
203.40497	2.0
218.08247	3.4
220.08566	2.5
229.07127	2.3
234.07553	2.2
241.07094	4.3
250.10776	11.4
252.11252	5.4
259.08084	5.4
266.17719	2.1
268.11743	7.3
277.09195	4.2
280.11853	5.8
294.09848	3.2
294.13232	2.1
295.10251	10.7
312.10220	9.6
312.13379	8.1
312.17047	60.2
313.10645	3.2
313.14090	2.2
313.17365	2.2
333.15353	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	312.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.5
57.03437	20.7
59.04997	3.8
61.02917	14.1
69.03430	34.1
71.01350	5.1
71.44833	2.0
72.81277	1.7
73.02918	100.0
77.02404	2.0
81.03415	6.9
81.07088	2.0
83.05020	2.4
85.02901	70.8
86.03218	2.1
87.04469	18.0
91.03933	2.1
91.05486	3.8
95.04951	2.1
97.02890	48.8
97.03493	4.0
99.04449	2.8
103.03962	3.6
108.74269	1.9
109.02875	5.5
115.03934	57.4
124.19202	2.1
127.03924	18.7
133.04964	80.1
137.06006	2.5
145.04951	31.9
150.07634	16.2
159.36235	1.9
163.06000	15.5
167.20798	2.1
180.08649	17.4
185.59488	2.0
205.06924	1.9
209.50056	1.9
223.05975	8.2
241.06956	6.1
251.11346	2.0
252.11194	4.1
259.08054	11.1
277.09155	5.4
295.10184	7.8
312.12915	18.7
313.10779	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	312.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.0
55.01872	3.6
56.96561	17.8
57.03435	4.8
61.02914	9.5
69.03428	16.2
69.07063	4.5
71.04992	25.2
72.69083	1.5
73.02911	2.2
79.05480	3.6
80.13903	1.4
80.37486	1.5
81.03439	8.1
85.02906	81.6
86.03262	1.7
86.09689	2.0
86.47444	1.8
87.04454	4.8
88.47078	1.5
91.03960	4.9
97.02891	24.5
97.06523	7.9
98.97579	60.4
99.04424	3.2
105.05541	2.6
109.02856	5.1
115.03943	7.5
115.07546	9.0
116.98622	24.5
127.03911	20.5
130.08546	1.5
132.08104	2.6
133.04967	100.0
133.08597	5.2
134.99661	4.6
145.04968	41.2
150.07750	23.9
163.06029	10.8
172.94333	4.5
174.97652	12.4
190.98012	1.8
192.02696	1.8
192.98708	6.6
198.97647	6.2
216.98700	52.5
217.98888	2.1
219.00227	2.2
219.02086	2.4
232.96524	2.4
234.99748	58.7
235.99927	4.6
236.99223	1.9
246.97868	1.9
258.99759	2.9
261.03281	2.5
274.97592	1.9
295.10233	2.1
300.05991	2.6
312.06088	5.9
312.10654	4.8
312.13663	6.2
330.07068	51.0
331.07376	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	312.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01874	1.7
55.05514	0.9
57.03442	4.7
61.02929	9.5
67.32407	0.7
69.03431	14.9
69.07069	12.8
69.30515	3.7
71.01336	0.8
71.04998	2.3
73.02920	3.7
79.72234	0.8
81.03419	5.1
83.55785	0.7
85.02907	100.0
86.03241	1.5
87.04463	3.1
87.08109	18.1
89.15405	0.7
91.03949	5.4
97.02895	22.5
97.03487	1.8
98.22736	1.9
99.04458	3.7
105.09148	2.5
109.02856	5.9
110.55547	0.7
115.03929	1.6
115.07580	0.9
127.03915	25.7
133.08607	6.5
145.04961	51.4
149.80725	0.9
150.11269	0.9
161.09698	0.9
163.06023	14.5
164.07132	1.5
190.08601	2.3
220.09673	1.3
222.07637	2.5
248.09251	1.1
252.08687	9.2
280.12088	0.9
294.20853	0.9
295.13916	1.1
312.14423	1.7
312.17798	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94500	1.1
53.03942	3.0
53.86551	1.0
55.01869	5.0
55.05511	45.5
55.86948	1.0
56.05037	6.4
57.03413	1.0
57.07076	4.0
67.05501	20.7
69.03417	6.5
69.07067	8.7
69.07927	6.8
71.08627	5.6
72.08150	1.1
79.05495	14.4
81.03432	3.1
81.07054	17.4
83.04983	4.7
83.08620	30.5
83.09103	2.2
84.76870	1.1
85.06537	1.8
91.05484	5.3
93.07040	6.0
95.04966	3.3
95.08606	4.9
97.06491	1.1
97.10168	62.9
98.10465	1.1
98.22703	2.5
99.07523	1.1
99.08059	5.3
101.09688	1.3
105.07037	3.2
107.08597	19.0
109.10147	3.6
111.04450	1.9
111.08082	3.4
112.04729	1.1
117.07028	1.2
119.08585	1.2
121.10162	2.8
122.03623	2.0
125.09636	56.1
126.10030	1.2
126.12801	17.9
128.04514	1.7
133.10143	3.0
135.08032	6.8
135.11731	3.3
137.05978	29.1
138.06262	1.3
143.06790	6.8
143.10695	3.4
144.06316	2.9
147.11658	1.8
149.13231	2.4
151.11182	2.3
153.05482	1.9
153.09132	4.3
154.05884	1.3
161.07854	1.7
161.13271	3.5
166.39102	1.1
170.11769	3.4
171.10129	6.9
173.11765	1.2
175.14851	1.2
176.16307	2.1
179.14348	1.8
185.22118	1.1
189.11218	100.0
190.11617	2.2
193.15875	1.3
198.14842	1.1
210.12103	4.5
237.11342	1.5
238.11530	5.9
241.19658	1.1
256.12512	1.7
259.20560	2.6
277.21619	42.5
278.21973	2.1
295.22733	4.8
312.12421	1.1
312.15915	2.4
312.21497	46.5
312.24780	1.7
313.21899	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	313.1774
Annotation	Tofacitinib
Peak:m/z	Relative Intensity
67.61780	0.6
82.23174	0.6
93.31792	0.7
211.41205	0.7
235.26038	0.7
313.17706	100.0
314.18054	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	313.201
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
55.01884	7.5
55.05499	6.9
57.07092	5.2
67.05512	11.0
69.07061	5.2
69.80474	15.1
79.05488	4.9
81.07072	25.0
83.05003	5.7
91.05495	8.6
93.07057	6.0
95.08601	13.3
97.02860	4.9
98.97591	10.8
107.01213	4.2
109.06506	8.9
109.10196	6.7
111.04448	13.6
116.98616	6.5
119.08553	7.6
121.10169	4.8
133.10132	5.8
135.11681	5.6
137.05968	100.0
137.13322	4.2
142.69804	4.3
143.05525	5.3
144.06340	18.2
145.06659	7.2
147.11673	5.0
149.02280	5.3
179.06508	5.4
192.41415	4.3
199.34430	4.8
203.18086	6.0
231.17392	8.0
249.18527	5.4
277.17987	74.5
290.94507	5.3
295.19025	16.6
313.25146	5.4
314.13748	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	313.2373
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
52.80829	2.3
53.03939	4.4
55.01863	18.4
55.05259	3.7
55.05510	48.4
56.96548	9.2
57.03430	5.1
57.07086	5.2
67.05501	100.0
69.03419	6.6
69.06721	2.9
69.07070	36.8
69.27275	2.3
69.62822	2.3
71.04985	6.1
71.08619	22.0
79.05486	44.1
81.03400	9.9
81.07053	87.1
83.04968	10.8
83.08617	32.5
85.06540	6.5
85.10200	3.1
91.05476	29.4
93.07039	56.1
95.04977	14.2
95.08604	46.4
97.06553	14.5
97.10169	18.5
98.97561	8.5
99.08089	17.0
105.07046	18.9
107.04945	2.4
107.08591	26.7
109.06519	9.3
109.10145	42.4
111.08098	21.9
112.60751	2.5
113.09653	5.3
116.98621	2.7
117.07030	6.5
119.08581	16.9
121.10139	20.1
123.08064	10.8
123.11678	6.7
125.09657	12.5
129.06960	4.2
131.08594	9.3
133.10114	25.1
135.08055	3.2
135.11670	20.8
137.09604	10.3
139.11176	17.0
143.08531	3.3
145.10124	5.9
147.11649	16.7
149.09682	3.7
149.13240	29.9
149.51241	2.6
151.11189	16.2
155.10670	6.2
159.11687	10.3
161.13245	7.5
163.11145	4.6
163.14755	3.0
165.09082	2.3
165.12773	10.7
167.10655	3.1
167.14272	2.7
171.11671	4.9
173.11703	25.3
173.13118	3.4
174.36209	2.2
175.14798	2.6
177.12755	7.6
179.14291	9.9
185.13237	4.8
185.87045	2.6
189.11237	7.3
193.12207	2.5
195.13828	27.8
199.14847	3.2
213.14827	7.1
231.21011	5.5
241.11180	10.5
241.19458	6.5
249.22075	8.8
253.08354	13.4
253.11086	15.2
259.12119	8.3
259.20572	10.5
271.12155	24.9
277.21634	67.1
278.21884	5.0
290.94617	4.6
294.13660	3.7
295.22653	42.2
296.22958	2.6
313.10391	8.5
313.25363	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	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00567	0.5
50.41847	0.4
55.05509	7.5
55.48343	0.4
57.03436	19.5
57.07074	59.4
58.07398	0.9
61.06705	0.5
62.12031	0.5
64.87458	0.5
67.05161	0.6
67.05506	9.9
69.07068	9.3
71.04976	0.7
71.08629	36.6
71.11024	0.6
75.04462	0.8
79.05479	1.1
81.07050	14.2
83.08619	11.9
83.87730	0.4
85.01748	0.5
85.06528	0.8
85.10177	18.3
88.01051	0.6
89.06019	3.5
93.07051	1.1
93.53934	0.5
93.93200	0.5
95.08603	19.6
97.10169	6.4
99.11720	0.7
102.92899	0.5
103.07579	2.2
103.08219	0.4
109.10158	9.8
111.08082	0.5
111.11722	1.4
113.13263	0.5
117.09172	0.6
121.10153	0.7
123.11686	5.0
125.13255	0.5
137.13199	2.5
139.11194	0.7
239.23625	4.0
257.24692	4.7
275.25699	0.7
313.27347	100.0
314.27673	6.5
322.75891	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.7
57.03438	17.6
57.07076	50.8
57.52464	0.4
58.07425	0.5
59.04993	0.7
67.05508	9.1
69.07070	9.2
69.23843	2.5
71.04971	0.7
71.08633	32.4
79.05480	0.7
81.07060	11.7
83.08623	10.0
85.06567	0.5
85.10185	17.3
85.10705	0.8
89.06023	3.8
93.07056	1.0
94.65398	0.5
95.08610	18.7
97.10165	5.8
99.11725	1.1
101.06008	0.5
103.07595	1.7
105.34883	0.4
109.10157	9.5
111.11711	1.6
117.09140	0.9
121.10145	0.7
123.11715	3.8
125.13269	0.6
137.13255	2.0
239.23692	5.0
257.24738	5.5
313.27365	100.0
313.36703	1.9
314.27728	6.3
337.75482	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58557	0.4
55.05514	6.3
57.03438	18.9
57.07076	52.0
58.07414	0.5
58.35992	0.3
64.23213	0.4
65.03951	0.4
67.05506	9.7
69.07068	8.8
69.77974	0.9
71.05012	0.8
71.08633	32.3
72.08958	0.5
75.04508	0.7
79.05505	1.4
81.07056	12.4
83.08621	10.0
85.06551	0.7
85.10181	18.9
86.10519	0.4
89.06027	3.2
93.07055	0.7
95.08605	19.3
96.08966	0.5
97.10169	5.4
98.23456	0.7
98.52854	0.3
98.97580	0.4
99.11732	0.9
103.07564	2.4
104.34798	0.3
109.10148	8.6
110.38052	0.4
111.11723	1.2
111.19312	0.4
117.09169	0.5
119.75999	0.4
121.10146	0.6
123.11702	3.7
125.13241	0.8
137.13258	2.0
139.29886	0.4
151.14833	0.7
221.22705	0.7
239.23685	4.7
240.24091	0.4
257.24725	5.8
258.25131	0.6
298.27145	0.4
313.27359	100.0
314.27698	6.6
314.33615	0.5
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
51.29403	0.4
55.05512	6.7
57.03437	17.2
57.07074	47.4
58.07405	0.9
64.60641	0.4
65.45654	0.4
67.05155	0.8
67.05499	9.2
68.05858	0.5
69.06709	0.6
69.07069	9.1
69.42165	0.8
69.42564	1.2
71.05000	0.6
71.08630	33.9
72.08947	0.6
72.65207	0.4
73.06555	0.4
75.04488	0.8
79.05492	0.6
81.07051	11.4
83.04964	0.5
83.08617	10.8
85.06556	0.8
85.10181	17.2
89.06019	2.8
93.07007	0.6
95.08601	16.9
97.10161	4.3
99.11712	0.8
103.07568	1.6
109.10148	8.8
111.11730	1.3
117.09139	1.2
121.10130	0.4
123.11706	3.4
125.13251	0.5
137.13251	1.7
151.14827	0.7
154.65727	0.4
179.18044	0.5
221.22839	0.7
239.23676	4.2
257.24780	5.3
258.25006	0.5
286.25394	0.4
298.27377	0.6
312.81094	0.4
313.27350	100.0
314.27655	7.1
314.33862	0.9
331.79691	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.1
60.96759	0.5
67.05490	1.3
69.03443	0.9
71.04984	1.2
73.02894	0.9
74.99062	1.2
78.03445	0.6
79.05487	1.7
80.05007	1.2
81.03406	0.5
85.01122	0.7
85.06525	1.1
90.32595	0.5
91.05484	1.0
93.07034	0.5
95.04939	3.8
96.04480	5.2
97.02901	2.5
98.23543	0.8
100.02192	1.7
101.00622	0.7
102.98525	2.6
106.06545	6.4
107.04939	1.9
108.04446	0.6
109.02882	0.9
110.20799	0.5
120.04421	0.5
120.08086	0.9
120.99570	5.4
121.06483	0.8
122.02380	2.6
122.06034	0.8
123.04417	1.9
124.03951	100.0
125.02341	4.6
125.04300	2.0
126.05507	1.7
132.08087	0.7
135.02681	0.5
136.06204	1.2
138.00070	0.9
140.03412	3.5
148.03937	1.8
148.07547	2.0
149.05972	0.6
150.05505	2.6
151.03899	5.2
152.01654	1.2
154.03192	0.7
158.06049	0.6
164.03430	2.7
164.05379	0.5
173.02618	0.9
176.03445	4.7
176.06978	2.8
177.05440	0.8
180.01141	2.7
180.02890	3.6
180.04619	1.0
182.02699	1.6
194.04495	8.7
194.08171	2.3
198.02202	6.1
208.00577	1.1
208.04289	0.8
220.09569	0.8
226.01685	42.4
227.01918	1.7
228.03230	0.7
233.24115	0.5
244.02766	2.2
246.07710	0.7
250.05312	1.1
264.08688	5.2
268.06381	10.6
274.68539	0.5
296.05865	73.3
297.06128	3.3
314.06891	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	314.0694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.1
59.05005	3.3
61.18535	0.6
67.05502	0.9
69.03422	1.6
70.51440	1.0
71.04984	1.3
73.02927	1.6
73.89575	0.5
74.99060	1.1
78.03447	1.0
78.98557	0.6
79.05490	1.4
80.05025	0.9
85.02890	0.9
91.05533	0.6
95.04963	4.0
96.04491	6.8
97.02888	3.0
98.22791	0.7
98.97586	2.4
102.98532	2.8
103.05513	0.6
106.06560	7.0
107.04955	2.0
108.04501	0.6
117.09169	1.5
117.20533	0.6
119.10889	0.7
120.08099	0.8
120.99535	4.8
122.02357	3.5
123.04424	2.6
124.03953	100.0
125.02333	5.5
125.04296	2.1
126.05504	1.8
130.63403	0.7
132.08122	0.7
135.10185	1.3
138.00049	1.1
138.05429	0.9
140.01646	0.7
140.03432	4.2
146.05998	0.7
148.03944	1.9
148.07585	3.1
150.05489	3.4
151.03911	4.4
151.87129	0.7
152.01646	1.8
163.03859	0.7
164.03391	1.8
176.03430	4.8
176.07071	2.4
176.45972	0.7
178.08502	0.8
180.01134	2.4
180.02927	3.3
180.04631	1.3
182.02710	1.2
194.04494	7.5
194.08101	2.5
198.02185	6.1
208.04216	0.9
226.01683	42.1
244.02757	2.8
250.05286	1.2
264.08636	6.9
268.06366	14.1
269.06763	0.8
278.04761	0.8
290.94806	1.1
296.05865	85.2
297.06143	4.4
297.17984	0.6
314.06909	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	314.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48351	0.6
53.03934	0.9
53.10404	0.5
55.01861	2.0
55.09142	0.6
57.03433	8.2
59.04993	2.4
61.02931	3.3
69.03423	4.0
69.80304	1.1
69.80633	1.2
71.01351	10.3
71.04988	6.8
73.02913	13.2
75.04483	1.8
80.41878	0.5
81.03414	2.6
85.02904	16.5
87.04444	1.4
89.06017	1.3
91.03977	1.2
97.02896	4.5
98.91190	0.5
98.97552	2.6
99.02203	0.6
99.04451	24.0
100.04807	0.6
108.08098	4.4
109.02856	1.1
110.97570	0.6
112.31871	0.5
117.05486	100.0
118.05836	1.6
127.03928	3.7
134.06035	0.9
135.06503	2.9
136.07620	0.6
145.04929	5.5
152.07048	2.2
157.62367	0.5
163.06018	2.2
170.03242	0.7
219.01910	1.3
243.08585	1.0
248.99208	0.7
279.10825	1.0
314.08972	1.1
314.12308	3.4
314.15982	1.5
332.10507	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	1.4
57.03440	1.6
61.02926	1.8
69.03436	4.3
69.78323	1.2
71.04993	11.1
73.02921	1.0
81.03440	1.0
85.02911	12.4
89.06035	100.0
90.06380	1.6
97.00964	0.5
97.02898	4.2
98.97588	5.2
99.04485	2.8
103.04021	0.5
109.02891	1.4
110.82156	0.5
116.98630	3.7
117.05484	2.6
124.03983	0.5
127.03923	2.7
134.99690	0.9
135.06532	40.9
136.06114	0.9
142.12280	0.6
145.05009	3.1
163.03871	0.8
163.06015	0.7
172.94443	0.6
174.97688	0.9
186.04398	0.6
219.00439	0.6
228.86906	0.5
246.34627	0.7
254.91393	0.7
277.00848	0.7
290.94632	2.4
296.05991	0.7
314.08096	1.9
314.12167	2.2
314.15768	0.8
315.06989	0.8
315.10529	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	315.1075
Annotation	Bungeiside B
Peak:m/z	Relative Intensity
52.65620	0.3
55.41373	0.4
57.78879	0.3
63.02357	0.4
67.05492	0.4
69.03413	0.8
69.90951	0.9
69.91301	0.3
70.06589	1.3
72.08167	0.4
79.05492	1.3
84.38738	0.4
85.02890	0.7
86.09698	1.0
89.03914	6.3
91.05479	0.4
95.04958	0.4
107.04944	2.8
116.07083	0.5
117.03383	8.1
117.07004	0.3
121.06544	0.4
135.04419	17.2
135.07948	0.4
137.05956	1.1
141.03915	0.3
145.02846	13.1
153.05544	0.8
163.03900	100.0
164.04248	2.2
181.04961	0.8
212.76749	0.3
283.10059	0.4
315.08420	2.4
315.14233	6.2
316.13663	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	0.4
69.15650	2.3
72.08145	0.6
77.80829	0.4
79.05493	1.1
81.07043	0.4
85.02893	1.7
86.09692	0.7
89.03916	7.9
95.04984	0.6
97.02895	0.4
98.23603	0.6
107.04950	3.0
116.07063	0.7
117.03374	10.2
126.26653	0.5
134.06055	0.6
135.04414	19.1
135.06415	0.8
137.05849	0.5
145.02853	13.7
151.03941	0.4
153.05486	3.3
154.08612	1.3
161.06027	0.3
163.03899	100.0
164.04178	1.9
173.12756	0.5
181.03374	0.4
181.04964	0.7
197.06241	0.5
197.30495	0.4
205.06366	0.4
315.10663	0.7
315.14108	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	315.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86956	4.5
65.28629	4.6
67.05524	7.1
69.07049	5.2
69.25346	23.1
79.05482	11.2
81.07027	10.4
91.05445	8.0
93.07021	5.2
95.08632	12.8
98.97601	6.0
101.05953	5.1
105.07044	4.9
107.08568	8.5
109.06485	4.5
109.10153	8.8
116.98568	5.9
119.08559	9.0
131.04929	5.1
133.10138	7.6
147.49240	4.6
161.06010	10.7
165.06981	5.2
176.95500	5.9
211.07295	83.3
223.07547	6.3
237.09100	6.2
247.08769	5.2
265.08511	10.3
283.06036	17.3
283.09668	30.5
315.08340	9.0
315.12057	100.0
315.15820	7.0
315.19528	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	315.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	6.6
55.05508	10.6
57.03419	7.3
67.05490	9.9
69.03423	18.8
69.07062	10.1
71.04980	8.0
71.43738	3.1
73.02893	3.7
73.62194	3.6
77.03953	3.1
79.05476	15.8
81.03430	11.3
81.07053	27.7
83.04992	4.8
85.02900	43.2
86.09742	4.0
86.55658	3.3
87.23716	3.2
91.05476	17.5
93.07044	85.2
95.04964	16.5
95.08604	28.9
97.02881	10.7
97.06541	15.1
99.04450	6.5
103.03954	4.4
105.07024	26.2
107.04940	4.9
107.08588	100.0
109.02844	5.4
109.06511	13.8
109.10135	18.5
115.03935	4.1
119.08549	19.7
121.06506	6.2
121.10122	10.4
123.04460	4.3
123.08017	4.3
125.06045	3.1
127.03896	9.6
129.07080	3.4
130.06525	8.1
131.08582	7.9
133.10130	10.5
135.11690	86.1
135.12662	7.0
136.11937	3.5
137.05925	5.7
137.09598	4.7
137.13223	6.3
143.08519	4.0
145.10109	9.5
147.08066	4.0
147.11673	13.4
151.11168	5.3
153.12776	27.2
155.06810	4.4
155.08638	4.0
159.08058	3.3
159.11676	9.3
161.06004	3.5
163.11189	6.9
165.12749	19.9
171.11778	3.4
175.11253	7.3
177.12732	6.4
179.03276	3.2
181.12218	3.5
195.13762	4.1
201.12695	5.7
219.13770	5.5
231.13829	6.3
243.13799	5.2
261.14780	7.9
265.08545	4.0
279.15833	11.6
283.09659	11.8
297.11591	4.4
297.16946	8.5
307.16913	3.7
315.13632	6.5
315.17593	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	315.193
Annotation	E-64c
Peak:m/z	Relative Intensity
57.47544	0.7
62.33677	0.6
64.91653	0.6
70.07208	1.7
70.56770	0.7
82.91805	0.9
93.15589	1.0
98.23556	0.8
126.33520	0.7
133.81624	0.8
214.53421	0.8
258.10071	0.7
261.96896	0.7
314.34207	1.6
315.19284	100.0
316.19687	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	315.1931
Annotation	E-64c
Peak:m/z	Relative Intensity
56.05012	0.6
57.07074	1.1
60.04524	0.6
69.67162	1.7
74.06072	1.1
75.62047	0.5
77.26834	0.5
88.07632	4.2
93.36397	0.5
98.23376	1.0
98.97569	0.9
105.03374	1.0
106.08650	1.0
121.73608	0.6
126.53300	0.6
127.85532	0.6
149.05975	2.4
270.27942	1.2
294.58759	0.6
315.19272	100.0
316.19647	4.1
316.28378	5.6
316.32153	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	10.4
67.05492	11.5
69.03420	5.9
70.94972	5.3
71.01376	4.3
71.04985	5.5
72.08147	9.1
77.03896	4.8
79.05485	14.2
79.94476	4.5
81.03419	9.3
81.07032	8.9
83.04973	4.5
85.02892	12.3
86.09676	8.1
91.05465	24.2
93.07047	12.0
95.04977	45.7
95.08626	4.8
103.03920	7.1
105.03381	9.7
105.07035	25.7
106.07355	6.0
107.04936	15.6
107.08584	7.0
108.08897	7.4
109.02851	9.6
109.06482	9.3
115.05465	7.2
115.80135	4.7
117.06999	11.1
119.08585	11.2
120.08849	5.5
121.06374	4.4
123.04412	33.7
124.04687	5.7
128.06219	8.1
129.07002	28.8
131.04892	8.4
131.08530	9.8
133.02855	37.2
133.06476	15.4
135.04459	6.9
137.06015	7.8
139.03934	6.1
141.06999	6.7
147.08051	27.0
151.03877	42.7
154.82671	4.9
157.06506	32.3
159.04431	5.3
159.07985	6.1
161.02361	24.5
161.05963	12.7
165.05475	100.0
175.07564	31.8
179.03384	14.6
183.06541	8.5
185.05917	25.9
187.07565	6.6
193.04897	5.3
195.98077	4.3
197.04478	17.0
203.07025	33.2
211.06038	5.6
213.05452	15.7
213.37216	5.1
221.08018	9.8
231.06479	27.4
239.09003	7.2
249.07579	23.6
254.17381	12.3
263.09070	10.4
267.08618	13.0
281.10199	63.9
284.10120	5.9
298.20319	5.6
299.11246	5.6
316.12344	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	316.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01870	7.5
55.05512	8.3
57.03434	15.6
65.03948	3.1
67.05506	34.2
69.03426	5.1
69.07065	44.4
69.41714	2.0
70.93781	2.9
71.01361	2.6
71.04990	17.9
73.02914	4.7
79.05489	46.8
81.03410	27.9
81.06689	2.5
81.07059	24.5
83.04982	7.1
83.08592	3.0
85.06538	6.8
86.71780	2.0
88.87646	2.5
91.05472	28.9
93.07037	34.9
95.04972	31.4
95.08614	15.9
97.06529	100.0
98.06853	2.8
98.83048	2.4
98.97578	4.3
99.08111	6.1
103.05457	3.2
105.07031	21.9
107.04961	8.2
107.08585	32.5
108.55531	2.3
109.02923	2.1
109.06528	14.4
109.10174	4.1
111.04408	2.3
111.08042	2.9
113.05983	7.3
115.07562	29.7
116.98605	3.9
117.07019	9.6
119.08564	10.5
121.06486	4.7
121.10126	20.3
123.08068	7.5
125.06017	3.2
129.06993	8.2
131.08554	23.5
133.06476	5.2
133.10149	9.3
135.08046	14.1
135.11719	3.1
137.05968	2.7
137.09608	3.9
137.13287	2.4
139.11179	3.4
143.07077	4.2
143.08557	5.1
145.10127	8.7
147.08044	6.9
147.11688	5.0
149.09610	69.2
151.07538	5.1
157.10115	10.0
159.08099	4.9
161.09615	7.1
163.11226	4.7
165.09087	5.1
167.10674	6.4
171.11621	5.3
173.09647	4.0
175.11252	3.9
177.09164	7.1
179.10759	4.4
189.12764	3.8
191.10718	4.9
193.12143	3.8
195.10139	7.4
227.14301	3.0
245.15366	5.1
256.09824	3.8
257.32748	2.4
263.16437	4.4
270.88760	2.1
281.17374	3.0
284.09937	3.6
316.12161	4.8
316.15588	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	316.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	11.4
55.05507	19.5
57.03437	27.1
67.05502	55.8
69.07066	100.0
71.04995	53.3
73.02924	13.6
79.05488	80.5
81.03412	37.8
81.07040	51.9
83.04993	14.6
83.08596	5.9
85.06532	9.5
91.05473	47.3
92.00146	5.3
93.07042	59.4
95.04958	39.0
95.08593	29.7
97.06520	70.6
98.97588	17.7
105.07005	30.3
107.04960	22.3
107.08575	47.1
108.08932	5.6
109.02784	5.9
109.06511	22.9
109.10172	9.7
111.08072	8.9
113.05991	10.8
115.07562	82.4
116.10732	6.9
116.98627	10.0
117.07025	20.3
119.08598	25.6
121.06518	12.1
121.10136	34.0
122.94363	6.0
123.08057	12.4
129.07028	17.8
131.04887	5.9
131.08572	38.1
133.06500	10.6
133.10107	15.0
135.08041	23.4
135.11638	7.0
137.09622	8.9
143.08589	15.2
145.10139	16.4
147.08034	10.5
149.09612	37.6
157.10124	10.7
159.08067	7.6
161.09621	11.6
163.03954	6.1
165.09114	13.1
167.10625	8.9
171.11734	10.3
173.09624	4.8
175.11198	8.0
176.96063	5.3
177.09143	12.8
189.12746	6.3
191.10564	5.7
195.10168	9.2
199.14938	8.4
217.15919	7.5
245.15286	10.9
256.09726	16.2
263.16379	9.6
274.97522	10.7
284.12659	6.4
292.94858	7.3
316.12396	12.7
316.15674	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	317.0636
Annotation	(-)-Arborescidine B
Peak:m/z	Relative Intensity
57.97861	5.5
69.03412	8.4
70.40865	10.2
85.02909	25.0
97.02888	12.1
101.06009	7.0
102.37106	5.3
119.01868	7.8
127.03998	8.7
131.00117	5.5
146.04985	11.2
147.03136	9.2
148.33813	5.6
149.01219	10.4
156.03609	12.5
167.63383	5.3
195.49945	6.7
213.61095	5.8
228.05655	14.3
237.06290	13.5
261.63574	5.6
291.09161	6.4
317.06119	100.0
317.12329	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	317.1
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.3
55.05501	6.2
56.96550	13.4
58.33448	5.5
61.02928	5.5
69.03430	9.9
69.07065	7.9
71.43297	5.7
72.08144	5.5
73.02940	7.1
74.56095	4.5
79.05490	8.0
81.03398	6.9
83.04977	5.4
84.08136	6.3
85.02910	31.4
86.09676	28.5
87.52409	5.0
91.05480	12.7
93.07066	7.1
95.08598	15.7
97.02906	13.2
98.97573	47.3
105.30788	4.5
110.97560	8.9
111.08075	100.0
116.98592	25.9
117.07053	6.9
123.04428	7.6
125.04294	4.8
128.98624	8.5
131.08545	5.7
132.10222	7.2
134.99614	10.8
137.05972	23.6
137.09599	7.5
138.09094	5.9
139.11168	10.7
145.04948	7.7
149.95499	5.1
151.03899	5.2
151.07520	7.2
155.07091	8.3
155.08575	8.2
155.10652	21.0
158.99686	6.2
160.05226	6.6
163.03899	8.1
173.06017	35.3
179.03401	11.2
187.03902	10.6
201.05489	8.1
201.09122	7.1
211.07504	14.8
219.01791	11.5
221.04472	12.7
229.08556	22.3
237.02805	15.4
239.06992	9.8
257.08057	28.1
274.97516	33.3
285.07397	8.1
292.98627	8.5
299.16846	7.6
317.09854	98.4
317.12042	69.3
317.17712	9.9
318.10117	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	317.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	0.6
69.03418	1.7
70.06586	1.2
70.41621	0.4
70.49866	0.4
72.08142	0.6
73.02946	0.5
74.59699	0.4
79.05497	0.4
81.03434	0.3
85.02902	2.5
86.09715	1.1
87.04441	0.5
91.03933	0.4
93.07026	1.3
94.10549	0.4
95.04919	0.6
95.08605	1.3
97.02905	1.3
99.04477	0.4
109.10188	0.7
111.08115	2.5
114.58516	0.4
115.64449	0.4
121.06508	1.3
123.04390	0.5
127.03880	0.6
137.05969	0.9
137.09612	0.9
151.09975	0.6
155.06792	11.7
155.10638	2.9
156.10214	1.1
163.03882	1.6
164.04248	0.6
165.04430	1.0
185.04211	8.3
203.05292	5.1
235.85716	0.4
256.28445	0.4
299.10181	0.8
317.12061	100.0
318.12485	4.2
318.16272	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.5
56.05022	3.8
56.53591	1.8
56.96558	2.7
57.07060	5.9
57.41013	1.7
60.04520	2.8
66.75892	2.0
67.05512	2.5
69.61244	4.2
70.19054	2.0
71.08614	2.3
77.00904	2.6
79.05479	2.4
81.07050	2.7
88.07624	16.1
91.05483	2.5
93.07020	2.8
98.22778	3.8
106.08630	3.5
106.71950	2.0
145.06429	2.5
256.26266	3.4
256.68524	2.2
270.27887	9.8
299.19897	26.5
316.34717	5.9
317.20694	100.0
317.32239	15.3
318.17123	2.0
318.21057	4.8
318.30023	34.8
335.20892	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	317.211
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03950	14.0
55.01868	14.0
55.05507	39.5
56.96563	15.9
57.03427	8.4
57.07065	4.5
61.44844	2.6
65.03940	3.8
65.40187	2.6
67.05501	52.5
69.03425	4.6
69.07069	29.8
71.04996	6.3
72.91603	2.4
73.06585	3.8
77.03876	2.6
79.05488	40.6
81.03416	38.4
81.07054	54.2
83.04977	6.4
83.08605	11.4
85.06529	4.9
91.05476	87.7
93.06455	3.2
93.07041	54.1
95.01323	8.8
95.04962	24.1
95.08604	48.2
97.06521	6.7
97.10167	8.6
103.05450	3.8
105.04512	3.9
105.07024	72.4
107.04957	32.5
107.08570	19.0
109.06535	7.1
109.10152	6.4
110.97546	3.6
111.08090	10.0
115.05449	7.9
116.98576	2.6
117.07015	27.4
119.04934	31.4
119.08564	40.9
121.06522	37.9
121.10131	11.8
123.04485	3.7
123.08051	10.0
128.06209	10.7
128.98589	4.0
129.06999	17.0
131.04913	7.7
131.08557	23.1
133.06490	26.8
133.10126	20.6
135.08057	26.8
135.11690	11.6
137.09587	6.9
141.06943	6.0
142.07841	3.6
143.08554	23.0
145.06493	14.5
145.10115	22.4
147.08044	34.8
147.11665	19.5
149.09595	7.6
155.08577	4.7
157.10159	17.8
159.08060	13.1
159.11665	15.5
161.09595	41.9
161.13293	4.2
163.11128	3.1
169.10158	10.3
171.11661	11.1
173.09612	15.7
173.13214	7.2
175.11177	16.7
177.12721	5.5
183.11719	5.9
185.13292	6.8
187.11180	17.2
189.12711	9.1
203.79984	2.8
205.12227	7.0
241.14275	3.9
243.17601	3.7
253.19589	3.5
271.20508	6.0
281.18817	4.4
289.21725	8.3
299.20007	60.6
317.17703	59.3
317.21100	100.0
317.24799	7.0
318.18045	5.3
318.24380	4.1
335.18896	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	317.2111
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03930	2.3
55.01873	1.8
55.05499	5.2
57.03442	13.3
57.07068	3.9
62.54477	1.4
64.82889	1.5
65.03922	2.2
66.70830	1.3
67.05172	2.2
67.05508	27.8
69.03425	3.2
69.07059	6.5
69.11838	2.3
69.12251	8.0
70.06591	1.6
77.31072	1.3
79.05490	5.6
81.03423	57.9
81.07056	23.7
83.04967	6.1
83.08618	3.7
85.06551	2.1
88.07619	2.0
91.05463	6.4
93.07054	7.0
95.04971	100.0
95.08610	18.3
97.06542	2.0
97.14305	1.2
98.23463	2.4
98.97572	3.6
99.08089	6.0
105.07010	8.7
107.04953	3.2
107.08593	10.6
109.06528	16.8
109.10162	17.6
111.04449	2.3
111.08090	2.5
113.05983	1.5
119.08566	7.5
121.06509	7.6
121.10175	9.9
123.04436	12.2
123.08057	8.9
123.11716	39.4
124.12008	2.2
129.06889	1.5
131.08536	3.8
133.06479	2.1
133.10129	5.9
135.08058	8.9
135.11676	2.7
137.09622	5.4
137.13246	12.2
141.05435	3.9
143.08553	3.6
145.06494	4.8
145.10143	2.9
147.08020	3.4
147.11717	8.4
147.12703	1.6
149.09622	4.0
149.13228	2.7
151.11110	2.7
155.07089	2.5
155.08464	2.4
157.10091	2.6
159.08060	3.0
159.11630	2.1
161.09631	3.6
161.13237	5.9
163.11136	2.4
163.14815	1.9
165.12769	13.1
171.08063	1.6
171.11606	1.7
173.09590	1.9
173.13219	3.1
174.33778	1.4
175.11192	3.5
175.14830	2.8
177.09149	1.7
177.12799	1.9
177.16341	3.6
179.14392	2.1
183.11595	1.6
185.09631	2.6
185.13350	2.1
187.11203	3.0
187.14687	1.6
189.16393	1.7
191.14330	3.4
195.17421	2.5
197.13303	2.3
199.11180	2.3
199.14769	1.9
201.12770	2.6
203.14243	2.0
205.15895	16.3
215.17972	1.8
217.15855	3.7
229.12352	1.8
231.17480	1.4
241.15996	1.6
243.17389	3.2
245.15280	1.7
257.19034	1.9
271.20642	3.9
281.18997	4.2
299.19833	19.2
300.19968	1.4
316.32092	1.7
317.18015	2.3
317.20996	56.6
317.24786	2.7
317.32291	3.2
318.20981	2.6
318.24112	4.9
318.30020	4.6
335.19034	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	318.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43411	2.9
51.22206	3.0
55.01867	5.2
55.05509	9.9
57.03436	23.0
67.05505	26.2
69.03427	5.8
69.07065	47.3
69.25278	18.8
71.01353	8.6
71.04977	4.4
72.17731	3.5
73.06546	3.6
79.05489	41.0
81.03411	8.5
81.07056	100.0
83.04984	5.3
83.08630	12.6
85.06530	6.1
91.05484	27.4
93.07047	47.9
95.04967	10.1
95.08606	28.1
97.06518	19.0
98.23420	8.6
99.08105	9.4
105.07034	25.8
107.04955	5.8
107.08582	31.0
109.06530	8.0
109.10174	10.9
111.08060	4.8
117.07028	11.3
119.08597	13.7
121.06514	3.5
121.07722	3.3
121.10154	42.6
123.08073	6.6
124.07555	3.3
125.06014	4.7
127.07538	29.1
129.07036	6.3
131.08575	14.0
133.06517	4.5
133.10153	14.8
135.04472	3.5
135.08093	11.3
136.07599	18.2
137.09616	5.6
139.11189	17.7
142.84724	3.9
143.07033	25.8
143.08604	4.9
145.08618	30.5
145.10101	16.0
149.09622	28.2
157.10060	4.5
159.11760	5.2
161.08173	3.8
163.11116	7.9
164.07074	13.7
165.09097	5.0
167.07022	5.1
167.10681	54.6
169.10197	4.2
171.11690	5.9
173.13394	4.3
176.10765	4.1
185.11748	22.8
185.13187	5.9
189.12784	5.7
201.16423	12.9
207.13753	8.1
211.14868	5.6
216.10178	3.6
216.13892	3.9
218.15561	4.0
221.14041	6.4
229.15895	12.1
240.13855	4.6
247.16930	51.0
258.14880	6.6
265.18008	14.0
268.13318	5.2
286.14380	15.3
300.15900	7.7
318.17035	17.8
318.20410	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	319.0188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82891	1.5
55.99644	1.6
56.96564	8.6
66.87945	1.5
88.54469	1.5
98.97581	100.0
116.98625	51.2
116.99265	1.4
118.27562	1.4
119.01903	2.0
134.99654	14.4
140.00270	1.7
153.00697	1.8
153.38928	1.4
154.85464	1.4
168.24561	1.7
177.00995	4.8
179.00684	14.4
205.02267	17.0
216.98764	4.3
218.98535	1.7
219.02011	15.8
220.02094	2.4
221.01865	7.0
234.99774	6.7
235.03348	2.5
240.98758	6.8
247.03400	4.4
253.04536	2.2
255.75653	1.4
258.99774	76.1
259.99927	9.2
261.03030	3.1
263.02890	4.8
264.02994	8.0
272.94482	2.5
274.97534	1.7
276.97623	5.4
277.00836	76.4
277.04401	12.8
277.98312	1.7
278.00980	9.4
278.96960	1.6
279.00699	2.0
282.99908	8.8
290.95560	1.7
295.05508	12.2
300.02396	1.6
300.97476	5.8
301.01096	9.8
301.06345	2.7
302.01193	2.5
318.94748	2.7
318.98294	10.2
319.07184	2.0
336.98950	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0791
Annotation	Flustramine C
Peak:m/z	Relative Intensity
66.36085	4.5
70.17550	12.0
79.15971	4.3
82.56223	4.0
96.47736	4.0
98.23430	4.2
139.28238	3.8
143.75330	4.2
252.31314	4.7
293.27875	4.6
301.08865	7.4
319.07455	52.5
319.10043	100.0
319.13654	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	319.1179
Annotation	5-Methoxy-8-(1,1-dimethyl-2,3-dihydroxypropyl)-psoralen
Peak:m/z	Relative Intensity
54.13338	0.4
55.05479	1.0
57.49866	0.5
67.05477	1.4
68.99781	0.6
69.07036	0.9
70.36279	0.9
71.04945	0.6
74.34787	0.5
79.05473	0.8
81.07014	1.9
83.04920	0.5
83.08633	0.5
85.02854	0.6
85.06503	0.8
86.09705	3.0
87.04464	4.5
91.05450	1.3
93.07014	1.9
95.04935	1.5
95.08566	1.5
97.06483	0.6
97.10134	0.4
105.06998	0.9
107.08548	0.9
109.10129	0.7
115.05422	1.7
119.08546	1.4
121.10109	1.0
128.06224	5.8
128.50859	0.5
129.06956	2.0
131.04144	0.4
131.04955	3.7
131.08545	0.8
133.10065	0.7
135.11653	0.5
137.09612	0.5
137.13213	0.6
139.05392	0.6
141.06950	1.9
142.07712	1.2
144.05699	1.0
145.06468	2.3
145.10072	0.9
146.11711	0.5
148.96571	0.5
151.03868	0.9
153.07004	2.6
154.07834	0.6
155.04878	2.1
155.06020	0.9
155.08463	0.7
157.06465	3.1
158.07246	1.5
159.04428	0.6
159.08015	2.1
169.06468	2.1
170.07227	1.8
171.04366	1.2
171.08086	0.8
171.11601	0.4
173.05984	13.1
177.05408	0.6
180.05751	0.9
181.06485	0.9
184.05121	1.3
185.05960	0.8
185.09607	0.9
186.06723	2.9
187.07539	37.5
188.07964	1.2
189.09065	0.6
195.08014	1.5
197.06009	12.0
198.06584	1.7
199.03909	1.8
199.07556	4.8
200.04668	0.8
201.05498	1.1
201.09113	8.3
202.09407	0.7
203.06969	0.9
211.07581	0.8
213.05429	1.4
213.09052	6.1
214.06241	25.0
215.07030	16.3
215.10582	0.5
217.08472	0.6
218.05708	0.5
223.07481	1.6
227.06985	2.6
229.08601	40.7
230.08870	2.3
231.06517	1.3
231.10057	0.7
233.08067	1.2
241.08516	3.9
243.06519	13.1
244.07043	1.0
245.08162	0.8
255.10243	0.7
257.08084	100.0
258.08578	8.1
259.09573	2.1
269.08078	4.6
273.11310	1.0
287.09134	13.2
288.09363	0.6
301.10706	39.9
301.21579	0.9
302.11023	2.4
319.11786	27.3
319.22653	1.2
320.12045	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	319.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	1.4
67.12432	0.4
69.03432	0.5
69.55492	1.4
85.02898	0.5
98.23442	0.8
98.97590	6.4
110.97563	0.6
116.89492	0.4
116.98618	2.8
119.01921	0.6
131.01906	0.4
133.03474	0.7
134.99683	0.9
143.01936	0.5
146.75934	0.4
157.01765	0.4
157.04741	1.1
158.97357	0.5
161.96094	0.4
169.06041	0.8
171.04988	0.8
174.96840	0.8
177.31187	0.4
183.05165	0.4
216.98656	0.5
217.01790	0.4
217.03705	0.7
219.01682	1.0
221.05003	0.8
237.02798	1.5
258.99707	2.5
259.06693	0.4
269.17429	0.4
272.94864	0.4
273.08307	1.7
277.00784	3.0
277.03757	0.6
291.09128	1.6
319.09918	14.9
319.13547	100.0
320.10428	0.6
320.13889	3.5
337.09912	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1493
Annotation	Deacetylbowdensine
Peak:m/z	Relative Intensity
51.80404	0.2
55.01881	1.7
55.05507	0.9
58.31196	0.2
58.75399	0.2
59.05005	0.3
67.05502	0.3
69.07069	3.9
69.11408	1.6
73.02919	3.6
73.06559	2.4
79.05490	0.4
80.18871	0.2
81.07043	0.6
85.02868	0.3
85.20634	0.2
91.05469	0.9
93.07043	0.4
95.04972	0.4
95.08585	0.4
97.06522	0.5
98.23448	0.4
105.07037	0.4
106.06557	0.3
117.05733	0.5
118.06538	27.1
119.08509	0.3
121.10115	0.2
124.03951	3.7
127.03914	0.7
130.06517	1.0
130.34840	0.2
131.08598	0.3
137.06003	0.3
138.06277	0.3
138.09192	0.3
145.10185	0.3
146.06003	10.6
148.07553	2.2
165.07782	0.3
174.05499	5.0
176.07057	2.7
178.08690	0.6
179.07030	0.3
188.07039	0.5
197.08008	0.3
206.08122	16.3
207.08545	0.4
219.69618	0.3
223.12094	0.4
232.09641	0.5
232.13303	16.5
233.13681	1.0
234.84917	0.3
260.12820	4.9
261.13113	0.6
262.14371	0.9
285.16907	0.7
288.12256	3.2
290.13947	1.3
292.15329	0.3
320.14905	100.0
321.11533	0.5
321.15231	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	320.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
55.01873	5.9
55.05505	17.6
57.03428	12.2
58.52381	3.4
59.74343	3.6
63.46241	3.4
65.25025	3.4
67.05492	22.3
69.03423	5.4
69.07066	12.1
71.45181	4.9
72.99375	3.9
79.05487	23.5
81.03417	78.2
81.07053	30.1
83.04989	25.9
83.08613	26.7
85.02912	19.7
85.06533	4.2
91.05474	28.4
93.07059	17.2
95.04969	36.8
95.08591	10.3
96.80357	3.5
97.02895	4.6
97.06517	5.0
97.10141	6.2
101.85049	3.4
105.07026	33.8
107.04948	7.2
107.08582	12.2
109.02876	4.4
109.06532	7.9
109.10178	4.3
111.08058	18.1
117.07047	4.9
118.06556	19.8
119.08538	21.0
121.06537	4.5
121.10152	11.3
124.03962	7.3
124.07536	5.0
124.45125	3.2
125.31115	3.4
129.07005	13.1
131.08574	10.9
133.10132	16.0
136.07568	5.7
145.10139	5.4
146.05983	10.1
147.04437	4.4
147.07933	4.4
147.11716	20.9
149.09636	8.6
151.03928	10.8
151.09930	11.7
152.10686	6.2
157.10103	17.8
162.09151	8.2
164.07156	6.0
165.11513	6.2
175.11214	22.9
176.10678	9.1
180.10460	3.8
188.10722	5.3
193.12230	83.7
204.10246	6.0
206.08084	8.8
211.13281	93.4
214.12224	8.0
222.11182	4.4
223.12079	12.2
231.13811	4.1
232.09659	13.9
232.13254	6.3
244.06700	4.7
261.09317	4.5
267.15836	20.8
276.15820	4.0
284.12741	16.7
285.16940	80.0
288.09485	11.3
289.08710	8.2
302.13879	12.2
320.12100	5.1
320.14896	100.0
320.18546	23.7
321.11011	4.4
321.14731	6.3
344.07599	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	321.0947
Annotation	(-)-Dihydroflustramine C
Peak:m/z	Relative Intensity
69.49260	11.7
70.06593	4.1
77.17369	3.5
83.34322	3.0
101.00867	4.4
113.00869	4.5
119.01925	7.3
128.39076	3.6
131.01999	4.1
133.03549	5.3
143.01906	3.5
152.32439	3.6
160.09708	13.5
161.02983	5.3
215.00488	5.5
240.77617	3.6
247.03004	9.1
279.09375	4.8
321.09460	100.0
321.11990	34.7
322.09503	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	321.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22387	1.5
55.05516	1.7
59.48562	1.6
67.05507	3.0
69.03444	1.7
69.07086	3.4
70.11684	3.9
79.05499	3.4
81.07055	5.8
90.70015	1.7
93.07082	2.1
95.08632	6.5
103.31676	1.6
105.07037	2.2
107.08613	3.6
109.10175	2.7
113.26176	1.6
119.08627	2.0
131.08636	2.0
138.05505	2.1
145.10072	2.8
155.90549	1.8
215.05905	2.1
277.65286	1.7
303.12646	2.7
321.16870	100.0
322.17087	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18439	0.2
69.75059	0.8
76.94350	0.2
79.05439	0.2
81.07051	0.3
91.05477	0.2
93.07050	0.3
97.55634	0.2
114.38519	0.2
161.24828	0.2
198.05301	0.2
198.66502	0.2
222.23003	0.2
303.16046	0.3
315.24393	0.2
321.16714	100.0
322.17093	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	321.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
61.88165	0.5
67.05505	0.5
69.07055	0.8
69.64259	0.9
69.64644	1.0
76.43269	0.4
79.05517	0.5
81.07040	0.8
91.05447	0.7
93.07017	0.5
95.08597	0.7
98.22730	0.9
105.07028	0.6
107.08588	0.5
120.08142	0.4
257.01834	0.4
277.76300	0.4
295.67068	0.4
321.16708	100.0
322.17126	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	321.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
55.05507	0.7
57.03434	0.7
67.05502	1.4
69.03416	0.6
69.07056	1.7
71.04992	0.7
79.05482	1.3
81.07044	2.2
82.07391	0.5
83.04995	0.6
85.06531	0.8
86.09694	1.0
91.05470	1.0
93.07039	1.5
95.04973	0.8
95.08598	2.0
97.02856	0.4
97.06524	0.9
105.07021	0.9
107.08594	1.3
109.06487	1.0
109.10165	1.8
117.06995	0.8
119.05000	0.4
119.08587	0.6
121.06511	0.5
121.10116	0.9
123.08053	0.7
123.11742	0.4
126.50313	0.4
131.08582	0.8
133.10127	0.7
135.08070	0.6
135.11661	0.5
137.05771	1.3
137.09613	0.5
141.05482	0.9
143.08577	0.5
145.10069	0.5
147.04376	1.1
147.11760	0.7
149.09636	0.9
151.03831	0.5
151.11160	0.5
163.03868	0.7
163.14795	0.5
175.11116	0.5
193.08388	0.8
207.16447	0.4
218.07365	0.6
261.09137	1.0
289.08417	1.1
303.15787	0.8
303.23047	0.7
306.08850	0.6
321.16708	100.0
322.16977	5.2
322.20337	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.7
55.54578	0.4
57.03442	0.6
59.22971	0.4
61.37082	0.4
62.88894	0.5
67.05499	1.2
69.03423	0.5
69.07074	2.4
71.44045	0.5
79.05482	1.6
81.03378	0.5
81.07056	2.5
83.04989	0.7
86.09699	0.7
91.05493	1.5
93.07053	2.1
95.04974	1.0
95.08608	2.2
97.06548	0.7
97.85834	0.5
105.07029	1.7
107.08604	1.7
109.06520	0.8
109.10152	1.2
111.08084	0.7
113.05935	0.7
117.07024	0.9
119.08550	0.7
120.08062	0.4
121.06542	0.5
121.10116	1.3
123.08112	0.6
129.06917	0.4
131.08577	1.2
133.10114	1.2
135.01984	0.5
135.08026	0.5
135.11624	0.5
137.05736	2.5
137.09590	0.9
141.05447	1.4
143.08641	0.9
145.06494	0.5
145.10095	0.7
146.06021	0.6
147.04391	0.8
147.11659	1.0
149.09648	1.3
159.11699	1.1
161.13271	0.6
164.07059	0.6
165.05402	0.4
165.09102	0.6
173.09714	0.6
175.14914	0.5
193.08354	1.6
202.12138	0.5
246.11349	0.6
251.09096	0.9
261.09125	0.7
276.19662	0.6
276.58737	0.5
278.05737	0.4
289.08585	0.7
293.08069	0.8
303.15707	0.9
303.23087	0.7
321.11411	2.8
321.16711	100.0
322.17014	5.2
322.20306	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.181
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04520	0.5
61.19334	0.4
68.97681	0.4
69.07050	0.5
69.19768	2.0
77.03953	0.5
79.05484	0.5
81.07043	0.9
86.09704	100.0
87.10024	1.3
91.05500	0.6
93.07034	1.6
94.94173	0.5
95.04971	0.6
95.08619	1.0
103.05460	3.6
105.06993	0.7
107.04957	1.3
107.08595	0.8
109.10192	0.6
111.95301	0.4
118.53086	0.4
119.08627	0.8
120.08100	100.0
121.08430	2.8
121.10127	0.9
123.11696	0.6
128.10713	47.0
129.11095	0.5
131.04901	2.3
131.08646	0.5
133.10098	0.6
149.05960	1.5
156.08890	0.8
156.10197	15.1
161.09767	0.6
166.08633	60.4
167.08949	1.4
182.37196	0.4
221.65080	0.5
233.92191	0.4
276.61346	0.4
321.11035	0.7
321.16599	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42180	0.5
52.63852	0.6
53.03936	1.4
55.01869	1.5
55.05515	4.9
57.03427	2.6
57.07084	1.3
62.06090	6.4
63.06424	0.9
67.05500	5.6
69.05829	0.5
69.07054	2.4
69.39338	1.1
69.39680	3.0
70.06594	1.3
70.07375	0.8
71.04992	1.3
75.31308	0.7
75.53436	0.6
79.05499	5.8
80.94833	1.1
81.03403	0.8
81.07057	7.5
81.25810	0.6
83.04964	1.2
83.08621	2.6
86.54338	0.6
88.07637	2.5
89.07952	0.7
91.05479	6.1
93.07057	4.4
94.37572	0.7
95.04966	2.9
95.08609	4.1
97.06526	1.5
97.10147	3.2
99.08144	0.8
102.54926	0.7
105.07043	4.0
107.04951	2.8
107.08583	5.6
109.06511	2.0
109.10123	1.7
111.08109	1.3
117.07034	1.6
119.08569	4.7
121.06502	1.9
121.10168	2.0
123.08063	1.2
125.09607	3.0
129.07004	0.9
131.08559	2.4
133.10143	2.7
135.08025	1.6
135.11700	1.7
137.09604	1.3
143.08601	0.7
145.10100	1.9
147.08041	0.8
147.11736	1.4
149.09630	1.2
149.13232	0.9
153.09085	0.9
155.08510	1.0
159.08107	1.0
159.11684	1.5
161.13341	0.8
163.11218	0.8
165.12762	2.0
166.13150	1.4
169.10228	0.6
173.13144	0.8
177.12746	1.2
203.12808	1.1
224.30443	0.7
257.18967	0.7
257.26694	1.5
258.27011	2.1
260.20816	0.8
266.59058	0.7
271.16791	1.1
275.20093	6.8
289.18079	3.3
298.00848	0.6
303.11505	0.7
303.19742	0.8
320.30731	5.6
321.20380	100.0
321.26349	4.1
321.30585	7.2
322.20746	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	321.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.01862	11.5
55.05259	3.4
55.05509	51.5
57.03435	37.8
57.07048	2.0
67.05505	39.9
69.03432	6.4
69.07068	11.8
69.60118	5.5
69.60486	4.1
69.61376	2.0
71.04975	2.2
74.19359	1.8
79.05486	40.8
80.94849	6.7
81.03401	4.3
81.07055	32.7
83.04989	8.0
83.08619	24.0
85.06551	3.6
91.05479	30.4
93.07037	22.2
95.04962	7.6
95.08607	14.7
97.06522	5.4
97.10161	46.7
99.08046	2.6
105.07029	15.5
107.04951	23.5
107.08593	36.1
109.06512	7.3
109.10184	11.4
111.08099	5.3
115.05468	3.3
117.07013	13.6
119.08576	20.1
121.06500	9.4
121.10130	4.7
123.08102	6.9
125.06026	2.0
125.09631	52.5
129.07039	5.0
131.04895	4.4
131.08572	7.9
133.06511	4.6
133.10104	7.1
135.08055	30.2
135.11729	2.4
137.09618	6.8
141.07030	3.6
142.07751	2.3
143.08563	4.3
144.05693	2.5
145.06479	6.2
145.10152	8.0
147.08060	7.0
147.11693	5.9
149.09621	8.6
151.11165	2.8
153.09065	16.0
155.08617	3.1
157.10074	2.2
157.12283	6.1
159.08055	42.7
159.11707	4.0
160.08749	2.8
161.09663	5.1
163.07584	5.5
163.11200	2.8
169.10106	2.4
171.10201	2.7
173.09639	6.0
173.13255	2.2
175.07376	2.3
177.09103	9.0
179.14371	5.4
185.09628	3.4
193.12215	3.0
203.12773	23.1
203.14410	2.5
215.14352	8.7
233.15309	19.4
239.12573	2.1
243.17450	6.3
249.30727	2.0
253.15820	9.5
261.18323	4.9
271.16898	37.4
275.20020	5.0
289.14725	4.9
289.17966	100.0
290.18277	3.7
303.19550	4.5
303.23331	3.0
321.20523	16.4
321.24432	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	321.2425
Annotation	18-Oxo-19-hydroxynerylgeraniol
Peak:m/z	Relative Intensity
53.03938	6.5
55.01873	14.6
55.05512	28.2
56.24636	2.4
57.03436	5.8
57.07074	5.2
60.13602	2.3
62.06091	19.7
67.05161	4.0
67.05505	62.9
69.03438	6.1
69.07066	28.6
69.37148	11.6
69.95500	2.4
71.04997	5.8
79.05492	44.1
81.03391	3.8
81.07053	86.9
83.04986	16.7
83.08618	11.3
85.06523	5.1
91.05480	44.4
93.07051	44.6
95.04977	24.1
95.08598	45.5
95.09133	3.6
97.06541	18.1
97.10186	5.3
98.23392	6.3
105.07037	51.4
107.04945	12.2
107.08604	29.3
107.20081	2.6
109.06505	18.5
109.10162	24.9
110.83695	2.4
111.08092	5.9
115.05546	3.1
117.07049	14.5
119.08575	52.8
121.06487	4.8
121.10125	19.3
123.08094	23.7
123.11685	10.2
125.09666	3.7
131.08559	21.9
133.10130	43.3
135.08051	8.9
135.11662	13.9
137.09549	12.9
137.13284	3.3
141.07054	3.2
143.08588	3.9
145.10135	15.3
145.97643	2.7
147.11674	25.5
149.09636	15.4
149.13232	5.9
151.11159	10.2
155.08626	3.2
159.11652	12.1
161.13242	6.9
163.11165	9.5
163.14859	2.6
165.09264	2.9
165.12755	5.5
169.10162	4.4
171.11682	3.9
173.13225	12.5
175.11182	4.0
175.14792	3.2
177.12811	4.1
178.38782	2.7
179.14326	10.5
183.11700	4.1
187.14954	2.8
191.14304	3.9
201.12822	5.3
204.01422	2.4
219.17567	3.0
221.17455	2.6
222.36844	2.3
229.19530	3.8
239.17880	6.3
247.20586	9.2
257.19028	12.3
265.18015	3.9
275.20071	100.0
276.20532	4.7
282.30923	2.5
303.23328	11.8
321.24167	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2426
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
53.03939	2.2
55.01876	7.6
55.05260	0.9
55.05513	12.5
57.03432	2.7
57.07076	2.5
58.02960	0.8
65.03925	0.8
65.54906	0.6
67.05163	1.0
67.05506	14.5
69.03426	1.1
69.07070	11.5
69.83433	2.3
71.04980	1.9
71.08631	2.3
79.05500	14.2
80.10215	0.9
81.03423	4.3
81.07061	26.3
82.07402	0.8
83.04965	2.6
83.08616	4.5
85.06545	2.8
87.14893	0.7
91.05481	11.5
93.07049	14.9
95.01315	0.8
95.04961	3.3
95.08612	15.3
95.99903	0.8
97.06525	11.0
97.10175	4.4
99.08087	2.1
101.06016	1.0
105.07037	15.9
107.04949	4.5
107.08597	11.4
109.02812	0.7
109.06522	14.5
109.10160	5.7
111.08067	2.4
117.07020	4.6
119.08587	9.9
121.06528	1.6
121.10172	6.4
123.08072	53.7
123.11699	1.3
125.09650	2.8
129.07059	1.0
131.08583	7.2
133.06454	0.9
133.10121	9.1
135.08055	7.6
135.11673	4.7
137.09590	4.4
137.13246	0.9
139.11192	1.4
145.10161	5.2
147.11699	5.1
149.09653	5.2
149.13300	2.1
151.11174	2.1
152.17857	0.7
153.42287	0.8
157.10097	1.2
159.07954	0.8
159.11690	3.8
161.13260	1.6
163.11160	2.0
165.09073	0.7
165.12755	2.0
169.10135	1.0
171.11574	1.2
173.13280	2.1
175.14824	0.8
177.12767	2.8
179.14319	20.0
185.13365	1.2
187.11183	1.3
191.14377	0.9
193.16025	0.9
198.15019	1.0
201.16397	0.9
205.15828	1.2
219.17467	9.4
224.20103	3.9
239.18045	1.2
241.24876	0.8
242.88994	0.8
247.16888	0.9
247.20636	1.2
257.19006	2.1
265.17981	15.4
266.18405	1.7
275.20087	17.9
279.19357	1.0
291.23148	4.2
303.23132	2.8
304.26331	0.9
321.18039	2.8
321.24252	100.0
322.23923	5.7
322.27750	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	321.2426
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
53.03933	0.5
55.01876	0.9
55.05257	0.5
55.05510	7.4
57.03439	1.2
57.07067	1.4
59.05005	0.5
63.07559	0.2
67.05505	5.1
69.03405	0.6
69.06707	0.4
69.07069	6.5
69.65215	1.0
71.04996	1.5
71.08627	1.1
75.80665	0.2
79.05490	4.5
80.94852	1.0
81.07058	7.6
83.04967	1.7
83.08628	3.5
85.06549	1.1
91.05488	3.0
93.07036	6.0
95.04958	0.8
95.08606	9.0
95.09217	0.5
97.06508	1.6
97.10159	2.7
99.04435	0.3
99.08083	0.7
99.48056	0.2
101.05978	0.4
104.99275	0.3
105.07034	3.2
107.04968	0.8
107.08593	5.7
109.06516	10.5
109.10150	2.8
111.04436	0.3
111.08064	1.9
111.11687	0.3
117.07001	0.5
119.08575	4.1
119.26065	0.3
121.06493	0.7
121.10145	4.6
122.07266	1.3
123.08066	60.6
123.11695	0.9
124.08366	1.3
125.06006	0.3
125.09618	1.1
129.07001	0.4
131.08563	1.5
133.10124	2.4
135.08047	5.6
135.11647	1.3
137.09627	3.6
137.13260	0.7
139.11177	1.4
142.07773	0.3
143.08548	0.3
145.10118	1.4
147.08020	0.3
147.11682	1.7
149.09612	2.1
149.13258	0.9
151.11185	1.7
157.10114	0.4
159.11690	1.0
161.09586	0.3
161.13245	1.1
163.11198	1.1
165.12772	0.7
167.14313	0.3
169.10196	0.3
171.11813	0.4
173.09654	0.3
173.13228	0.7
175.14758	0.3
177.12775	0.6
179.14299	21.3
180.14648	0.7
185.13274	0.3
187.14861	1.1
191.14224	0.4
193.15927	0.9
201.16418	0.3
203.12709	0.6
205.15874	1.0
219.17494	0.5
223.16859	0.3
233.15367	0.5
235.16856	0.4
247.16866	1.5
253.18065	0.4
261.18329	0.3
261.22177	1.0
265.17990	18.8
266.18353	1.1
271.16727	0.3
275.20056	1.5
275.23505	0.2
279.19589	1.0
285.22122	0.4
289.17963	1.0
303.23190	3.8
321.24231	100.0
322.24548	6.9
336.30548	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32613	0.2
56.96563	0.4
68.22772	0.2
69.50794	0.6
76.01628	0.2
86.08507	0.2
98.22741	0.3
98.97581	3.3
101.00862	0.4
116.98640	1.5
119.01901	0.5
122.97759	0.2
123.98594	0.3
134.99655	0.3
139.13867	0.2
140.98824	0.6
153.06888	0.2
158.99883	1.8
170.59093	0.2
177.00940	9.5
178.01060	0.7
182.99803	2.5
196.94499	0.6
201.00923	9.2
202.01050	1.0
202.93401	0.2
214.92093	0.3
214.95522	0.4
216.98691	0.3
218.03554	0.6
219.01997	100.0
220.02113	8.9
220.04324	0.4
220.94414	0.2
221.02301	0.7
232.96704	0.3
234.99698	0.6
236.99522	1.5
237.97238	0.4
238.95544	2.6
239.95641	0.2
240.98784	0.2
242.03610	4.5
243.03732	0.5
254.93346	0.2
256.93158	0.8
256.96619	7.2
256.99384	0.3
257.96716	0.6
258.99750	1.6
259.99908	0.3
260.04651	0.7
261.02838	1.0
262.95511	0.5
272.94305	0.2
273.94370	0.2
274.94086	1.6
274.97641	1.2
276.04132	0.2
277.00754	1.6
278.01019	0.2
279.98242	1.3
280.96487	2.0
282.99881	0.2
292.95190	0.6
296.94556	0.3
297.99173	0.7
298.18643	0.3
298.97662	42.4
299.97757	4.5
303.98038	0.2
316.95187	0.7
316.98746	0.6
317.95181	0.3
321.99268	4.9
322.66074	0.2
322.99332	0.6
335.93900	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0921
Annotation	Furomegistine I
Peak:m/z	Relative Intensity
55.01874	1.1
60.38486	0.3
68.08916	0.3
70.02448	0.5
70.02760	0.4
70.06578	0.3
71.01352	0.7
73.02921	1.5
79.05494	0.4
81.03431	0.3
81.07053	0.3
84.08134	2.8
86.06071	0.9
91.05477	1.1
96.40305	0.3
97.06506	0.3
99.00829	0.8
105.50986	0.3
109.02847	0.4
115.66098	0.3
117.05767	1.1
118.06540	13.3
119.06877	0.3
120.08082	2.4
125.05997	0.4
130.06522	2.1
131.07095	0.4
133.05096	0.3
144.08057	5.3
146.06010	6.1
148.07571	0.9
162.49516	0.3
164.07330	0.6
172.07578	2.3
174.05489	1.7
174.09190	0.5
176.07051	0.7
177.00694	0.3
178.08632	0.5
185.04224	0.3
188.07072	6.8
190.08623	8.4
191.09108	0.4
200.07072	0.8
202.08614	0.7
204.10226	0.4
206.08130	2.7
216.06555	4.8
217.13467	0.4
218.08125	2.6
220.09700	1.2
222.22801	0.3
232.09647	3.4
234.07594	25.6
235.08017	1.0
241.27686	0.3
244.06039	0.9
246.07648	1.6
248.09183	0.8
262.07095	7.9
262.09711	0.5
263.07935	0.8
263.13885	1.1
264.08612	2.2
276.08679	4.6
278.10199	1.4
290.06549	5.0
292.08096	1.6
294.09750	0.6
304.08102	1.3
322.09189	100.0
323.09595	4.4
323.15808	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	322.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.8
55.05516	3.2
57.07080	2.0
58.28759	0.5
59.97186	0.5
60.04522	1.5
62.06088	100.0
65.03940	0.6
67.05503	17.5
68.05822	0.7
69.07069	2.8
69.58939	1.1
69.59342	1.8
70.02996	0.6
77.03881	0.7
79.05497	12.3
81.07056	17.5
83.08624	2.4
85.06563	0.7
91.05477	5.4
93.07040	12.1
95.04999	1.3
95.08607	14.3
97.06488	0.7
98.97597	1.1
105.07017	3.8
107.08596	8.3
109.06507	0.7
109.10157	4.8
117.07025	2.0
119.08596	2.5
121.10137	6.9
123.11732	2.8
131.08556	3.1
133.10147	2.1
135.08087	0.8
135.11679	3.7
137.13274	1.0
144.10210	0.9
145.10138	2.5
147.11691	1.2
149.13271	2.3
151.14781	0.7
153.90083	0.8
158.11774	0.9
159.11687	1.7
161.13260	1.3
163.11195	0.7
163.14819	2.1
172.13345	1.0
173.13316	1.5
177.16411	2.7
186.14937	1.4
200.16531	1.3
214.18115	0.9
219.21162	0.6
220.90791	0.7
233.22687	0.9
240.19675	1.0
242.20944	0.7
243.21056	4.8
258.99814	1.0
261.22137	5.5
277.00891	1.4
304.26413	2.6
305.21414	0.7
305.24783	2.5
322.24387	1.2
322.27423	21.5
323.27765	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2741
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
53.03939	0.4
55.01867	0.6
55.05514	5.0
57.07085	0.6
60.04525	0.7
62.06090	100.0
63.06425	0.7
67.05503	16.1
67.11904	0.5
69.07070	4.2
69.26748	2.4
76.05701	0.4
77.03953	0.4
79.05495	9.2
81.07058	16.8
83.04979	0.4
83.08609	2.3
85.06611	0.4
85.42939	0.5
87.34765	0.4
91.05479	4.6
93.07044	12.0
93.07603	0.7
94.07391	0.7
95.04970	0.9
95.08608	12.5
96.08942	0.4
97.06503	0.9
97.10184	1.6
98.23436	0.9
105.04536	0.6
105.07013	2.8
107.08602	6.8
109.06571	0.4
109.10150	5.5
111.08113	0.5
112.07576	0.4
117.07021	1.1
119.08564	2.6
121.10148	5.5
121.10885	0.6
123.08064	0.4
123.11689	1.9
125.09683	0.7
131.08559	2.3
133.10159	2.2
135.11691	3.4
137.09569	0.5
137.13242	1.1
143.08606	0.6
145.10153	1.9
147.08084	0.6
147.11723	1.7
147.94809	0.5
149.13240	2.2
158.11874	0.5
159.11688	1.2
161.13266	1.5
163.14853	1.9
172.13263	0.4
173.13243	0.9
177.12778	0.5
177.16457	1.0
186.14940	1.1
187.14845	0.6
191.14258	0.5
200.16405	0.7
201.16432	0.5
223.13196	0.7
240.19637	0.5
242.21294	0.4
243.21103	1.6
261.22183	3.2
273.18344	0.8
276.20438	0.7
291.19537	5.8
304.26511	2.2
305.21323	0.9
305.24860	2.3
322.27399	11.6
323.27847	0.6
333.84076	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	2.2
70.46773	0.6
76.52914	0.3
98.97587	23.1
101.00874	0.8
112.04050	0.3
116.98628	10.2
119.01935	1.4
134.99664	3.1
137.02965	0.4
139.05818	0.3
141.98924	0.3
158.99860	0.7
159.99991	1.1
160.99666	0.5
177.00935	4.0
178.01054	8.8
179.00687	3.9
182.26041	0.3
182.99774	0.3
183.99934	1.9
184.99692	0.8
196.94505	1.6
198.98502	0.5
201.00932	2.0
202.01045	8.9
203.00696	2.7
210.24179	0.3
212.92314	0.4
214.95566	3.9
215.95924	0.4
216.98743	0.4
217.98714	0.3
218.98784	0.6
219.02008	21.0
220.02119	100.0
221.01773	38.9
222.02499	0.6
223.02257	0.4
232.96587	1.4
234.99884	0.4
236.99669	0.5
237.97229	2.7
238.03148	0.3
238.95351	0.4
239.95607	1.8
240.95396	1.1
240.98895	1.0
242.03787	0.6
243.03819	4.9
244.03549	1.7
250.81499	0.3
254.93260	0.4
255.98233	0.7
256.96527	2.1
257.96701	7.7
258.96545	3.6
258.99777	14.4
260.00006	1.2
260.99966	0.9
261.03082	3.9
262.03265	1.3
262.97394	0.4
263.02835	0.7
263.95804	0.5
269.98645	0.4
274.93936	0.3
274.97635	0.7
275.94910	0.4
275.97693	1.8
276.97760	0.7
277.00793	14.5
278.00922	1.0
279.00961	0.7
280.98193	1.0
281.96545	1.7
282.96710	0.7
283.00000	1.4
284.00168	0.7
296.94437	0.7
297.44507	0.4
298.97620	4.5
299.47940	0.4
299.97787	40.8
300.46692	0.4
300.97504	16.9
301.01016	1.1
302.01111	0.4
308.94919	0.3
309.96170	1.4
316.98749	0.6
317.92755	0.9
317.98862	0.6
318.45398	0.5
322.99374	5.6
323.99042	1.8
335.93845	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99387	1.1
54.69023	1.1
56.96568	15.0
57.03428	1.3
69.03442	2.1
70.98126	2.5
71.42985	1.7
72.08147	1.7
84.08150	12.0
85.02899	3.8
96.34453	1.3
97.02893	1.6
97.06510	1.4
98.97581	100.0
99.30562	1.2
101.00881	1.9
103.00630	5.0
106.06552	1.7
110.97519	1.3
114.10337	1.6
116.98622	53.0
117.02193	1.3
119.01902	3.8
121.01666	9.4
124.95470	1.6
128.10713	3.7
130.04987	1.5
132.83582	1.2
133.01675	2.8
134.99654	15.0
135.03178	1.9
143.07037	2.3
144.06580	2.0
145.01628	1.7
147.04468	1.3
158.99695	2.6
161.02992	2.7
161.08087	2.0
163.02679	2.9
170.96010	1.9
173.01132	1.7
174.99159	2.5
175.02661	1.5
177.00859	5.6
177.02545	1.3
180.97847	10.4
188.97009	1.5
189.00630	4.8
191.02252	4.5
193.00189	3.5
198.98906	14.8
201.00851	1.3
202.98636	1.8
205.05510	3.6
217.00162	4.3
219.01901	9.0
220.02278	1.5
220.99695	2.1
228.10826	2.8
231.01735	2.6
233.03448	4.4
235.04735	2.0
237.02748	2.2
240.98784	4.3
249.02795	8.0
257.97610	3.0
258.99713	67.2
259.99979	4.7
261.06143	1.5
263.00699	4.3
263.07980	2.3
265.21124	1.2
273.02924	1.9
277.00793	74.7
278.01022	4.3
280.08328	2.6
281.01907	2.1
281.05536	3.0
281.09000	2.2
282.01389	1.7
291.04016	1.8
299.98468	2.6
300.97778	1.6
301.02457	4.7
319.03772	2.4
322.98953	3.3
323.06439	3.9
324.10843	11.7
340.99728	3.7
341.15564	2.8
346.26666	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.074
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41032	2.3
69.63569	8.6
75.17283	2.3
75.52190	2.5
98.23383	4.5
101.05041	2.4
109.50832	2.3
143.01889	2.1
160.09723	2.2
161.02991	2.4
161.10106	4.2
161.89667	2.2
162.11237	5.2
182.80753	2.4
195.37135	2.3
276.37524	2.7
323.07382	100.0
324.07886	4.2
324.16672	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	323.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.7
67.05495	2.4
69.07056	2.2
71.04977	1.8
79.05493	2.2
81.03425	0.8
81.07051	6.9
83.08633	0.9
84.08125	0.7
85.06544	1.8
87.04469	0.7
91.05483	2.4
93.07033	2.6
95.04959	1.6
95.08597	4.7
99.08089	0.7
101.05970	0.6
105.07014	2.2
107.08607	3.0
109.02882	1.0
109.06516	1.7
109.10150	2.3
111.04465	0.7
113.06040	1.1
115.05404	0.7
117.07039	1.3
119.08585	2.2
121.10131	2.6
123.11649	0.9
125.09637	1.4
131.08508	1.1
133.10130	1.5
134.61290	0.6
135.04427	0.7
135.11667	1.2
137.05910	1.4
139.11127	0.7
143.10683	1.0
145.06468	2.1
145.10132	1.3
147.07942	0.9
147.11682	1.0
149.13266	1.0
153.12726	0.7
159.11676	0.6
161.09651	0.7
164.07072	4.3
173.06001	1.2
175.14824	0.7
177.05414	0.9
191.06972	0.6
201.16402	1.7
203.39986	0.6
210.41759	0.5
217.81650	0.5
231.08041	0.8
253.10429	0.7
264.12292	6.8
265.13177	1.0
277.00735	0.8
287.16409	0.8
291.10095	1.7
305.17349	1.8
305.24686	1.7
319.51041	0.7
323.18271	100.0
323.26138	2.1
324.14993	0.9
324.18588	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	323.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	12.0
55.47142	1.0
57.03425	1.8
57.07075	15.8
61.02951	1.1
67.05491	3.5
69.03410	3.9
69.07068	100.0
71.04982	1.5
77.17867	1.1
79.05482	2.7
81.03413	1.9
81.07049	1.9
83.08620	33.8
85.02908	12.2
86.06061	4.7
91.05492	2.5
93.07053	2.2
95.04974	2.7
97.02872	1.4
97.10146	1.7
105.07026	4.6
109.02869	2.0
115.05506	1.3
118.06549	2.9
121.10162	1.3
122.03624	2.4
122.06086	1.2
122.70174	1.2
124.07645	1.7
125.13258	11.2
127.03918	2.7
131.04910	2.2
133.06474	2.6
136.07579	3.4
137.05977	20.2
143.14311	44.4
144.14635	1.5
146.03601	2.7
146.06046	1.3
148.07509	1.8
149.05956	2.5
150.05389	1.1
150.09166	1.4
151.09886	2.2
156.69843	1.1
161.05971	28.9
162.06461	1.4
163.07486	1.5
164.07065	4.4
167.04819	1.2
178.08643	4.9
182.08121	4.3
199.07555	5.9
202.07785	6.2
203.08554	10.6
210.11230	1.6
219.08018	2.9
220.08817	3.5
223.47612	1.2
230.07072	1.3
231.08051	15.2
232.08609	2.6
238.07057	1.4
247.07535	1.9
248.08304	8.4
249.08762	1.8
259.07544	10.7
260.08234	4.7
263.10706	7.9
275.06909	1.5
276.07788	4.7
277.08536	3.4
291.10159	23.3
292.10617	2.9
293.07819	3.0
295.13184	1.8
307.09341	1.2
308.10312	1.4
323.09000	2.5
323.12723	33.9
323.20123	1.8
324.13693	1.6
324.18005	9.1
324.21591	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	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30589	0.5
51.94823	0.4
53.03937	1.1
54.12518	0.4
55.01655	0.5
55.01877	3.2
55.05511	6.4
55.34457	0.4
56.35168	0.4
57.03435	8.2
59.05010	3.3
65.03943	2.6
67.05504	27.7
69.03419	1.0
69.07066	20.7
71.04992	7.2
73.06561	6.0
79.05494	12.4
81.03435	0.8
81.07056	12.7
83.04974	1.8
83.08620	2.0
85.06541	5.3
91.05481	12.7
93.07044	14.0
94.07361	0.4
95.04968	13.7
95.08604	10.4
96.05259	0.7
97.06534	1.2
97.10152	1.5
98.22737	1.4
98.97591	2.2
99.08093	100.0
100.08430	2.1
103.05417	0.5
105.04474	0.7
105.06358	0.7
105.07037	10.4
107.04949	3.2
107.08587	9.5
109.06519	17.5
109.10167	2.1
111.08091	2.3
113.06006	2.2
115.05489	1.0
116.06233	0.5
116.98667	0.6
117.07011	4.7
119.08573	7.0
121.06522	3.3
121.10145	5.6
123.08083	3.4
125.05971	0.6
125.09631	1.2
127.07557	7.5
128.06229	0.7
129.06979	3.3
131.08566	8.2
133.06505	1.8
133.10132	4.7
135.08049	10.3
135.11693	2.8
137.09612	1.4
139.07585	0.6
141.09097	2.0
142.07823	1.3
143.08543	3.8
145.10110	6.7
147.08041	3.8
147.11679	2.4
149.09612	3.8
149.13268	1.6
151.11198	0.7
153.09077	0.7
157.10123	3.9
159.08109	1.3
159.10361	0.9
159.11691	3.1
161.09641	5.3
161.13275	1.4
163.11201	2.5
167.43413	0.5
169.10098	0.7
171.11743	1.8
173.13222	0.6
175.11166	2.4
177.12737	1.2
179.10545	0.7
179.14363	0.8
183.11646	1.0
185.13310	0.8
187.11061	1.0
189.12741	0.7
195.13808	1.0
199.11215	0.5
199.14836	1.7
201.12778	0.5
213.16461	0.9
217.15895	5.1
219.13779	1.2
227.17903	1.1
231.17523	0.7
237.16356	1.1
245.18999	2.3
249.18568	1.3
255.17426	3.3
258.99768	0.7
263.20139	1.4
269.54803	0.5
273.18481	15.9
274.18967	0.9
275.20056	0.6
277.00851	1.4
291.19543	15.2
292.19986	1.3
305.17700	0.7
305.21054	6.7
323.18631	0.9
323.22202	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	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16329	3.0
50.18272	2.7
52.88235	2.6
53.03939	8.8
55.01863	9.7
55.05510	24.0
57.03435	17.0
57.07076	5.6
65.03951	4.5
67.05501	84.1
69.03423	6.8
69.07062	21.3
69.89732	6.5
71.04992	7.7
77.03939	4.4
79.05494	53.6
81.03409	18.5
81.07053	100.0
83.04983	10.8
83.08633	11.0
84.08150	4.7
85.06544	18.7
91.05480	37.8
93.07047	45.3
95.04963	94.3
95.08601	37.7
96.05315	3.8
96.56909	3.1
97.06529	8.9
97.10160	8.3
97.62057	3.0
98.97587	18.9
99.08071	2.9
105.07034	26.1
107.04967	22.1
107.08582	25.8
109.06516	74.3
109.10165	13.6
111.04472	4.4
111.08115	7.2
113.06007	28.8
115.05549	2.6
116.98636	13.2
117.07010	19.5
119.08552	20.3
121.06499	9.0
121.10109	17.2
123.08079	8.7
123.11679	4.8
128.06367	3.6
129.07076	7.1
131.08562	23.0
131.73752	2.7
133.06488	4.7
133.10138	12.0
134.99663	4.1
135.08063	35.0
135.11691	19.1
137.05988	10.0
137.09604	7.0
143.08577	8.0
145.10121	17.3
146.73969	3.2
147.08046	7.6
147.11676	6.9
148.11836	3.1
149.09618	12.3
149.13313	8.6
154.00049	3.1
157.10162	8.1
159.08017	3.3
159.11702	9.7
161.09628	12.5
163.11099	7.7
164.92104	3.3
169.10201	3.7
171.11696	6.4
173.13315	4.2
175.11208	3.2
177.12759	8.2
189.12747	4.8
199.14754	6.2
217.15898	12.5
221.15356	41.2
245.18991	3.3
255.17494	5.4
258.99722	18.4
270.98856	3.1
273.18494	43.0
276.98239	3.2
277.00745	16.8
291.19476	29.2
305.21109	32.0
323.22177	9.5
323.25714	9.6
323.86627	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	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.2
55.01870	12.2
55.05511	32.2
56.34007	3.1
57.03183	4.0
57.03442	58.4
67.05505	80.5
69.03423	13.8
69.07078	29.7
69.97429	9.7
71.04985	35.2
77.03948	4.9
78.07774	3.5
79.05494	71.0
81.03412	13.3
81.07056	100.0
83.04981	18.4
83.08626	19.1
85.06541	16.4
91.05474	69.8
91.44410	3.6
93.07044	91.3
94.07334	3.8
95.04962	34.1
95.08608	74.9
97.06528	25.4
97.10155	5.8
98.97571	26.4
99.04446	5.9
99.08102	24.8
103.05506	4.3
105.04520	4.5
105.07034	72.7
107.04942	21.7
107.08596	52.4
109.06534	22.3
109.10160	30.9
111.08082	16.6
113.06013	9.3
116.98622	12.8
117.07034	28.1
119.08586	43.6
121.06513	19.6
121.10155	26.5
123.08041	21.4
123.11723	9.9
125.09679	6.8
127.07566	4.9
128.06264	4.5
129.07014	12.7
131.08569	38.0
133.06500	7.6
133.10126	60.1
134.99722	4.4
135.08069	24.1
135.11699	23.7
137.05968	5.2
137.09576	20.7
139.07559	6.1
143.08563	20.0
145.10139	40.3
147.08058	11.6
147.11693	13.4
149.09602	20.1
149.13203	7.3
151.11153	30.4
155.08563	5.6
157.10107	17.7
159.11703	18.6
161.09660	15.4
161.13315	6.6
163.11203	14.4
164.92076	4.0
171.11714	15.6
173.13292	11.0
175.11209	9.2
177.12753	8.2
179.10701	4.1
183.11703	7.8
183.13782	5.5
187.11163	5.3
189.12755	6.0
191.14357	5.0
195.11778	4.8
197.13210	5.0
199.14830	11.1
201.12830	7.2
203.14377	3.7
217.15887	20.1
219.13797	8.8
221.15361	12.1
227.17926	5.3
233.15340	10.5
235.16803	7.1
237.16473	4.7
245.19012	7.5
255.17459	13.9
258.99719	22.5
263.20074	8.0
267.69839	3.8
273.18488	49.5
274.18771	4.8
277.00772	17.1
277.21735	4.9
287.20023	6.9
291.19547	42.4
305.17737	6.0
305.21063	31.3
323.18381	8.9
323.22134	36.5
324.25229	6.3
345.52127	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	323.2218
Annotation	Decylubiquinone
Peak:m/z	Relative Intensity
51.86950	0.6
53.03921	1.7
53.72514	0.5
55.01882	4.7
55.05509	24.2
57.03409	1.6
57.07043	0.9
59.04974	2.0
65.03904	2.1
67.05504	19.8
69.03397	2.6
69.07069	12.0
69.94782	1.8
71.04987	4.6
71.08600	0.6
73.06549	7.4
75.95520	0.5
77.03880	0.8
79.05060	1.3
79.05490	20.3
81.03419	3.3
81.07055	20.2
82.94536	0.6
83.04982	3.7
83.08614	11.8
84.08110	0.5
85.02880	1.0
85.06527	2.3
87.04443	0.7
91.04951	1.1
91.05478	17.0
93.03405	1.3
93.07040	16.3
95.04965	5.9
95.08602	10.7
97.05981	0.6
97.06530	9.3
97.10159	9.3
98.97560	2.0
99.08052	1.3
105.06367	1.0
105.07031	14.1
107.04924	2.3
107.07917	1.0
107.08587	12.0
109.06510	6.4
109.10162	5.2
111.04451	6.4
111.08054	3.1
113.06006	2.8
115.05447	0.9
116.98663	1.2
117.07014	6.4
119.04991	0.6
119.08573	10.2
121.06492	4.2
121.10137	5.1
123.04403	3.1
123.08076	4.4
123.11685	2.2
124.05191	0.6
125.05988	29.2
125.08822	0.9
125.09633	8.3
126.06299	0.8
128.06194	1.0
129.06999	3.4
131.08577	6.5
133.06448	1.9
133.10117	12.2
135.08075	3.3
135.11653	3.1
137.05962	5.5
137.09587	2.4
139.07477	2.1
139.11124	0.9
142.07831	0.8
143.08572	3.4
145.10100	4.1
147.08014	4.9
147.11644	4.0
149.09622	3.2
149.13205	0.9
151.07516	1.5
151.11172	3.4
153.09134	1.3
153.12723	0.8
157.10085	2.6
159.08011	1.1
159.11656	1.8
161.09612	6.2
161.13226	1.0
163.11166	2.3
165.09033	0.7
165.12732	1.2
171.11607	1.8
173.13278	0.6
175.11179	4.6
175.14886	0.6
177.12724	1.5
179.10663	2.7
183.11748	0.6
185.09605	0.9
185.13237	1.1
187.11246	0.7
189.09233	0.7
189.11179	3.2
189.12654	0.7
193.12244	4.6
203.10641	1.6
205.12262	1.2
207.13806	2.0
217.19505	0.8
221.11707	1.4
223.13249	1.4
235.13277	1.7
237.14647	0.8
239.12674	1.4
245.19037	1.2
253.14339	100.0
254.14679	4.0
255.17372	1.0
258.99756	2.0
273.18469	4.2
277.00861	2.0
277.21619	1.4
291.19562	4.5
300.02322	0.8
305.21036	5.5
305.24139	0.9
323.22159	83.3
323.25427	3.5
324.22021	4.9
324.25720	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.4
55.01876	4.9
55.05510	25.6
57.03432	1.6
57.07100	0.7
59.05001	1.4
62.06092	6.1
63.06419	0.6
67.05164	1.2
67.05505	15.0
68.05849	0.9
69.03433	5.9
69.06714	1.1
69.07067	16.1
69.71768	1.2
69.72156	1.0
71.04978	1.4
79.05492	18.3
79.44187	0.6
80.05798	0.7
81.03411	2.8
81.07056	15.8
83.04961	2.2
83.08119	0.8
83.08617	11.3
85.06530	1.0
91.05476	10.3
93.07043	11.8
94.07371	0.6
95.04966	5.4
95.08611	7.9
97.02900	4.3
97.06518	2.1
97.10172	18.2
98.97575	1.1
103.05454	0.6
105.04511	0.8
105.07027	8.2
107.04977	4.3
107.08587	11.5
109.06490	1.5
109.10154	3.6
111.08071	1.1
116.98619	1.0
117.07022	4.0
119.04961	1.3
119.08575	7.2
121.06494	2.0
121.10122	2.5
123.04337	0.8
123.08045	3.9
123.11740	1.0
125.09619	16.5
129.06989	2.4
131.08566	5.4
133.06488	2.4
133.10133	2.8
135.08063	5.6
135.11681	2.3
137.09634	2.0
143.08536	1.3
145.10144	3.2
147.08041	4.3
147.11674	2.1
149.09659	1.4
149.13255	0.7
153.09113	3.2
157.10129	0.8
157.12260	0.8
159.11702	1.6
161.09631	1.6
162.10330	1.2
163.11189	1.4
165.09129	1.2
169.12158	0.9
171.11728	1.1
175.11171	2.0
189.11119	1.0
201.06488	0.6
203.12782	7.8
205.12167	1.3
221.11728	1.2
223.13275	12.7
237.14856	2.1
245.18964	1.6
249.14870	1.8
255.17372	1.2
258.99805	1.2
263.20337	0.6
273.18527	6.3
277.00751	1.4
291.19534	100.0
292.19885	5.2
305.21121	20.3
306.21472	1.6
323.08286	0.6
323.22186	3.8
323.25537	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
55.01873	15.3
55.05508	42.4
57.03431	8.1
57.07057	5.4
57.50965	1.5
59.04989	3.8
65.03927	3.8
67.05504	81.2
69.03423	6.7
69.07068	28.0
70.04053	3.9
71.01317	1.8
71.04981	4.9
71.08623	2.0
73.06562	1.6
79.05489	57.4
81.03418	9.9
81.07054	100.0
82.07388	2.5
83.01342	4.7
83.04977	63.5
83.08617	14.4
83.46632	1.9
84.05312	2.3
85.02886	1.6
85.06528	8.6
91.05476	58.6
92.05811	1.9
93.07043	60.4
95.04973	17.8
95.08606	52.1
97.02888	2.4
97.06515	8.9
97.10172	6.3
98.22711	2.3
98.97580	4.8
99.08097	3.7
105.04522	3.7
105.07029	57.3
106.07366	1.8
107.04954	19.3
107.08591	57.8
109.06509	12.6
109.10156	53.9
110.10468	2.8
111.04442	5.4
111.08070	11.1
116.98632	2.9
117.07025	14.1
119.04975	1.6
119.08591	27.1
121.06517	11.9
121.10143	17.9
123.04433	2.4
123.08069	20.5
123.11691	12.2
125.06013	4.2
125.09645	5.9
127.07526	3.5
128.06200	3.0
129.07033	8.1
131.04907	1.8
131.08572	20.2
133.06485	13.9
133.10127	92.9
134.10498	2.9
135.08046	14.3
135.11707	9.2
137.05928	2.7
137.09595	9.4
139.07497	6.2
139.11159	2.9
141.09085	3.6
143.08583	7.5
145.10123	15.4
147.08043	10.3
147.11691	7.6
149.09595	15.1
149.13203	2.9
151.07628	2.4
151.11176	71.1
152.11472	2.2
153.09117	2.5
155.08583	1.8
157.10109	5.1
159.08044	6.1
159.11699	6.9
161.09624	14.8
161.13286	3.1
163.11201	8.7
165.09106	4.1
167.08527	1.6
167.10693	2.5
169.93329	1.4
171.11694	6.9
173.09619	3.2
173.13266	2.0
175.11150	8.6
177.09114	12.7
177.12680	2.9
179.10695	11.7
181.12071	2.4
183.13811	26.5
185.13240	3.3
187.11206	3.1
187.14993	2.4
189.12752	6.7
193.12265	2.4
199.11131	2.3
203.12685	2.3
203.14371	3.3
207.13756	3.4
211.13153	2.1
217.12222	3.1
227.17883	3.8
229.14354	4.3
245.19029	15.3
255.17378	5.2
258.99789	5.7
263.20047	10.3
273.18494	37.3
274.18661	2.7
277.00800	4.0
277.21616	2.9
291.19553	53.2
292.19879	3.6
305.21066	24.7
323.22131	35.0
323.25781	10.8
324.22427	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	323.222
Annotation	Rapanone
Peak:m/z	Relative Intensity
55.01863	17.2
55.05296	5.5
55.05514	71.7
57.03440	55.3
62.06066	6.5
62.79372	4.5
63.89571	4.9
65.03939	6.5
67.05511	63.7
69.03426	7.2
69.07074	25.3
71.04994	7.6
79.05493	74.0
81.03413	9.7
81.07056	95.5
83.04986	14.0
83.08608	30.3
85.06529	13.2
90.55394	4.8
91.05481	49.4
93.07042	46.0
95.04946	15.5
95.08613	30.8
97.06542	13.9
97.10160	45.9
98.97571	41.5
99.08101	16.8
101.08641	6.1
105.07012	41.7
107.04958	43.8
107.08576	45.4
109.06508	32.8
109.10166	16.8
111.08092	11.6
115.05502	5.7
115.23048	5.1
116.98630	23.3
117.07027	31.7
117.99326	4.9
119.08587	61.4
121.06477	22.6
121.10137	19.7
123.08055	20.5
125.09630	58.1
127.00176	4.8
129.06973	14.9
131.08566	28.2
133.06516	6.3
133.10129	18.9
135.08044	26.9
135.11678	6.7
137.09650	11.7
141.07005	5.5
143.08598	9.9
143.60248	4.6
145.10136	31.6
147.08057	34.9
147.11653	6.5
149.08080	4.6
149.09564	6.7
153.09125	12.8
157.10115	14.7
158.86130	5.1
159.08054	9.7
159.11682	13.2
161.09648	13.5
161.13374	5.0
163.11163	12.4
171.11679	12.0
173.09625	7.1
173.11844	5.4
173.13235	12.9
175.11018	5.6
177.12691	5.7
179.76616	4.7
185.13264	8.1
189.11234	5.7
201.12747	7.1
203.12733	31.3
217.15971	9.7
219.13776	23.8
227.17993	11.4
228.64807	5.4
255.17476	15.1
258.99741	28.9
273.18481	88.7
277.00787	25.6
291.19553	29.8
305.21094	100.0
323.18143	6.6
323.22018	8.8
324.28708	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	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48883	1.1
51.35053	1.1
53.03943	5.1
55.01868	13.9
55.05511	49.7
57.03427	7.5
57.07073	5.0
59.04998	2.8
61.98590	1.2
65.03947	4.2
67.05504	90.3
68.99791	1.5
69.03439	10.4
69.07066	30.4
69.71812	3.4
71.04996	6.1
73.06562	3.5
77.03931	1.6
79.05495	66.2
80.05832	1.7
81.03422	4.8
81.07054	100.0
82.07401	2.0
83.01362	5.0
83.04981	35.9
83.08620	16.7
85.02921	2.9
85.06545	8.0
91.05480	68.9
93.03455	1.3
93.07042	69.8
94.07399	1.7
95.04967	20.6
95.08606	45.7
96.08884	1.7
97.02888	1.7
97.06529	12.6
97.10178	8.2
98.97591	2.7
99.04475	1.5
99.08093	4.5
103.05472	2.5
105.04552	2.8
105.07026	63.3
106.07306	1.6
107.04949	18.4
107.08039	1.1
107.08591	54.7
109.02894	3.2
109.06507	16.3
109.10156	62.7
110.10443	2.8
111.04451	8.5
111.08071	15.7
113.06076	1.5
115.05463	1.7
115.07504	1.7
117.07040	12.9
119.04927	2.2
119.08572	26.2
121.06512	21.7
121.10139	19.4
123.04430	3.1
123.08053	9.9
123.11696	15.9
125.06013	4.3
125.09665	2.8
127.07603	2.4
128.06273	3.0
129.06999	8.9
131.04903	1.5
131.08562	22.3
133.06490	18.1
133.10123	93.1
134.10506	2.8
135.04439	1.4
135.08063	11.8
135.11696	13.6
137.05978	5.6
137.09579	6.4
137.13313	1.5
139.07561	10.3
139.11192	1.7
141.07051	1.7
142.07846	1.8
143.08562	9.8
145.06503	2.3
145.10124	17.4
147.08061	15.6
147.11682	13.0
149.09621	19.2
149.13306	3.6
150.09863	1.4
151.07556	2.4
151.11174	82.0
152.11540	3.5
153.12831	2.0
157.10143	8.5
159.08086	5.2
159.11659	8.8
161.09607	18.9
161.13271	5.0
163.11169	7.4
165.09120	4.8
165.12746	2.8
167.10664	2.8
167.64136	1.3
169.10130	1.7
171.07933	1.4
171.11674	9.9
173.09595	2.5
173.13316	3.4
175.11162	8.4
175.14842	2.2
177.09099	11.8
177.12746	5.0
179.10655	13.7
179.14284	2.5
180.10974	1.3
181.08443	1.5
181.12212	2.5
183.13799	26.1
185.13309	4.2
187.11258	2.2
189.12753	6.8
191.10674	2.2
193.12199	2.1
195.11803	1.8
199.11229	2.8
201.12782	1.6
203.14307	5.7
205.12282	1.6
207.13818	4.4
209.11610	1.3
211.13261	2.7
213.12769	2.6
217.12450	3.1
217.19525	2.6
223.13348	4.4
227.17944	4.5
229.14410	5.6
235.13348	2.8
245.18994	16.1
249.18648	1.6
255.17439	7.6
259.00009	1.6
263.20059	23.3
273.18475	50.4
274.18823	2.7
277.21555	5.9
290.87967	1.4
291.19528	84.3
292.19925	5.3
305.21158	15.4
311.49255	1.3
323.22198	37.4
324.22559	2.5
339.13147	1.2
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
51.02388	1.0
53.03939	3.4
55.01868	3.3
55.05512	10.0
57.03434	5.5
59.04996	1.3
65.03935	2.4
67.05503	26.4
68.05810	0.8
69.03428	3.8
69.07068	25.5
69.51877	3.3
71.04995	5.6
73.06556	9.6
74.37263	0.7
77.03926	1.3
79.04774	0.8
79.05495	18.1
80.05818	1.0
81.03413	11.9
81.07059	29.0
83.04988	4.6
83.08622	4.6
84.08138	1.9
85.02895	1.4
85.06536	9.2
89.06042	0.9
91.05482	15.7
91.69754	0.8
93.07040	18.8
95.04977	8.6
95.08614	13.8
97.06530	5.0
97.10183	3.8
98.22748	1.5
98.97577	3.1
99.04465	0.8
99.08093	100.0
100.08432	2.1
103.05499	0.9
105.04524	1.3
105.07030	12.8
107.04941	7.6
107.08594	12.8
109.06520	15.3
109.10145	5.6
111.08095	3.0
113.05977	1.3
113.09655	1.2
115.05458	0.9
116.98659	2.0
117.07024	6.3
119.08585	8.8
121.06502	5.3
121.10124	9.4
123.04419	1.6
123.08057	8.7
123.11712	2.0
125.09623	2.4
127.07536	2.2
128.06236	1.1
129.07019	3.4
131.04889	0.8
131.08566	10.6
133.06499	2.4
133.10135	6.8
135.08049	9.4
135.11688	6.4
137.05952	2.2
137.09622	2.8
141.06987	1.8
143.08556	4.3
145.06483	2.6
145.10117	8.4
147.08028	4.1
147.11705	2.9
149.05962	9.9
149.09615	4.3
149.13237	1.8
151.11188	1.9
157.10147	3.4
159.08080	1.1
159.11687	5.0
161.06012	1.8
161.09596	5.2
161.13333	1.3
163.11185	3.3
165.05513	1.0
165.09090	0.8
169.10172	1.2
171.07961	1.0
171.11694	2.6
173.09674	1.8
173.11758	2.4
173.13202	1.0
175.11205	2.0
177.09084	1.0
177.12787	2.8
179.10611	1.0
182.81474	0.8
183.11725	0.9
185.13264	1.4
187.11198	2.5
187.14784	1.0
189.11212	1.3
189.12769	1.1
191.10704	1.2
194.86441	0.8
195.11717	0.8
195.13789	1.6
199.13223	0.9
199.14816	1.6
201.12798	1.3
201.16286	0.8
203.08632	0.9
203.14430	0.8
205.12337	0.9
213.16454	1.5
217.15834	4.9
219.13805	1.7
221.15352	3.8
227.18079	0.8
231.17400	1.1
235.17049	0.9
237.16512	1.1
237.45587	0.8
241.14391	1.0
245.19084	2.1
249.14920	1.0
249.18434	1.7
251.16461	2.8
255.17496	2.8
258.99808	3.1
260.00000	0.9
263.20096	2.0
265.18173	0.9
268.57236	0.7
273.18451	20.2
274.18753	1.2
277.00803	3.1
277.17880	0.9
280.07407	0.8
287.16483	2.1
287.20029	0.9
291.19543	33.7
292.15295	1.1
292.20145	1.2
295.06271	1.2
295.09604	0.8
305.17545	4.0
305.21158	4.7
305.24606	1.7
323.05466	4.8
323.09207	3.1
323.12589	1.6
323.18338	11.0
323.22183	16.2
324.06152	1.5
324.09738	1.4
324.13907	1.0
324.18405	1.3
324.22119	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.0
53.03947	10.4
53.39854	0.9
55.01869	6.8
55.05299	1.0
55.05514	13.9
57.03435	5.2
57.07069	2.2
58.41063	0.9
59.04986	1.7
65.03929	4.2
67.05506	43.2
67.05867	2.2
69.03422	3.6
69.07072	23.8
69.44447	3.4
71.01347	1.1
71.04994	12.1
71.35272	0.8
73.06564	6.5
79.05496	36.6
80.05815	0.9
81.03419	23.2
81.07057	59.4
83.04983	6.0
83.08616	6.3
84.95110	0.9
85.06543	20.3
87.08065	1.5
91.05477	26.0
93.07046	34.6
95.04970	19.4
95.08608	24.9
97.06538	7.5
97.10166	5.6
98.97599	4.0
99.04468	1.2
99.08097	100.0
100.08395	1.6
101.05967	1.3
105.04529	1.6
105.07032	19.0
107.04957	16.8
107.08599	19.9
109.06522	29.5
109.10155	8.6
111.08060	3.4
113.05991	3.4
113.09646	2.2
115.05396	1.0
116.98593	3.1
117.07012	11.9
119.04902	1.0
119.08585	13.5
121.06502	9.7
121.10147	13.2
123.04440	2.8
123.08069	15.4
123.11694	3.2
125.09630	1.8
127.07562	3.4
129.06987	4.4
131.08562	18.1
133.06473	3.7
133.10133	10.9
134.99582	1.0
135.08052	14.5
135.10744	1.4
135.11696	14.3
137.05989	1.5
137.09607	4.9
137.13202	1.2
139.07503	1.0
141.07004	3.3
143.08597	6.7
145.06488	6.3
145.10130	11.7
147.08052	5.5
147.11685	2.9
149.05977	10.8
149.09630	8.6
149.13289	5.1
151.11098	2.2
155.08586	2.3
155.10677	1.6
157.10103	4.6
159.08029	3.7
159.11690	12.8
161.05986	1.1
161.09616	8.3
163.07573	1.8
163.11165	4.5
167.10640	1.1
169.10149	5.2
171.11655	3.3
173.09579	1.6
173.11781	2.1
173.13263	2.6
175.11201	3.6
177.12772	5.8
180.56396	1.1
181.12231	2.2
183.11754	1.3
185.09496	1.2
185.13277	2.6
187.11162	8.6
189.11118	2.0
189.12724	1.6
191.10675	1.4
193.12178	1.4
193.92192	1.0
195.12039	1.4
195.13716	6.5
199.11157	1.3
199.14862	1.3
201.12704	1.6
201.16531	1.0
205.12228	2.5
213.14691	1.6
213.16504	1.3
217.15894	6.9
219.13943	2.2
221.15385	4.9
223.13351	4.0
227.17906	1.9
231.07910	1.2
231.13713	1.3
231.17468	1.2
237.16409	1.5
241.14311	3.5
245.18996	2.1
249.18541	2.6
251.16435	3.1
255.17407	4.9
258.99725	3.4
263.20007	3.6
273.18497	29.6
274.18906	1.3
277.00830	3.5
287.16428	3.3
287.19986	1.4
291.10226	1.9
291.19559	59.9
292.19897	3.6
305.17410	5.5
305.21094	7.7
305.24445	1.8
323.05368	1.3
323.09164	1.9
323.12607	1.9
323.18399	5.4
323.22137	32.6
323.25568	1.2
324.22247	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	323.2218
Annotation	4alpha-Hydroxy-18-norgrindelic acid
Peak:m/z	Relative Intensity
53.03826	1.0
53.04069	1.1
55.01732	2.3
55.02037	1.8
55.05368	7.6
55.05676	6.1
57.03287	1.9
57.03606	1.2
57.06975	0.7
57.07207	0.6
59.04875	1.3
59.05135	0.9
62.05949	1.3
62.06274	1.0
63.89862	0.4
65.03819	1.0
67.05346	13.4
67.05753	6.0
69.03269	1.8
69.03671	0.8
69.06907	9.7
69.07330	3.9
71.04826	3.3
71.05253	1.1
71.45389	0.4
73.06422	1.2
73.06792	0.6
77.03796	0.6
79.05325	17.1
79.05840	5.2
80.05696	0.6
81.03249	1.6
81.03731	0.9
81.06881	16.2
81.07420	4.5
82.07267	0.5
82.53213	0.5
83.04809	5.5
83.05359	1.4
83.08445	3.8
83.08978	1.0
85.02752	1.1
85.06365	2.6
86.22422	0.5
91.05302	17.4
91.05936	3.5
93.03300	0.6
93.06860	18.0
93.07514	3.4
93.07865	0.7
94.04022	1.3
94.04599	0.5
95.04785	5.2
95.05448	1.0
95.08423	13.6
95.09102	2.2
96.08744	0.7
97.02751	0.5
97.06342	5.4
97.09982	2.5
98.97408	3.1
99.04329	0.7
99.07957	1.2
99.08540	0.5
103.05319	1.2
105.04354	1.0
105.06840	18.4
105.07621	2.4
106.07172	0.7
107.04763	6.2
107.08403	12.1
107.09210	1.6
109.06329	9.1
109.07133	1.0
109.09959	5.7
109.10776	1.2
111.04254	4.4
111.07884	3.6
113.05803	1.7
115.05232	1.4
116.06099	0.8
116.98422	2.0
117.06827	8.5
117.07729	0.9
119.04810	1.0
119.08383	12.9
119.09296	1.3
121.06311	9.6
121.09950	7.2
121.10872	0.9
121.67230	0.6
123.04236	3.0
123.07870	5.4
123.11543	0.6
125.05795	7.2
125.09424	2.1
126.06631	1.1
127.07388	0.9
128.06036	1.6
129.06802	5.4
130.07620	1.5
131.08366	17.7
131.09439	1.6
133.06287	5.4
133.09932	11.7
133.11011	1.1
134.10356	0.6
134.99542	0.7
135.07860	8.8
135.11494	4.3
137.05780	7.0
137.09592	3.5
139.07326	2.0
139.10997	1.0
141.06824	1.1
142.07684	0.9
143.08363	7.2
145.06282	1.6
145.10120	11.6
146.07143	0.9
147.08044	7.8
147.11700	3.9
148.08263	0.6
149.09613	7.9
149.13141	1.2
151.07524	5.2
151.10992	2.1
153.08965	0.7
153.12685	0.5
155.08350	2.2
157.06332	0.6
157.10162	4.1
159.08066	2.5
159.11699	4.8
161.09610	13.6
161.13287	2.3
162.10229	0.9
163.07373	1.1
163.11168	8.0
165.08942	2.1
165.12624	1.0
167.10486	1.4
169.10028	1.0
171.07863	1.0
171.11690	3.5
173.09409	2.1
173.13107	1.6
175.11169	8.6
177.09032	0.8
177.12575	2.1
179.10486	1.3
181.09952	0.7
181.12115	0.9
183.11543	0.8
185.09456	1.7
185.13249	2.5
187.11026	1.6
189.09038	0.7
189.12692	4.9
191.10532	1.1
191.14153	0.6
193.12090	1.8
195.11577	0.8
195.13548	0.5
199.11032	1.9
199.14774	1.0
201.12621	0.8
201.16243	0.5
203.10638	0.9
203.14134	1.5
205.12065	1.0
206.11992	0.4
207.13708	1.3
213.12679	0.7
213.16299	1.0
217.12238	0.7
217.15688	1.5
217.19426	0.6
219.13640	0.7
221.15375	3.3
227.17892	2.7
231.13676	0.9
231.17378	0.8
233.15236	0.6
237.14409	1.1
237.16449	1.4
245.19064	3.5
247.16861	1.2
249.14821	2.0
251.16267	0.8
253.14000	0.5
255.17543	5.3
258.99762	3.0
259.20514	1.8
261.18277	0.8
261.22244	0.7
263.16272	0.6
263.20013	1.7
267.15829	1.4
269.18826	1.7
273.18475	22.8
274.18683	1.2
275.34146	0.5
277.00833	2.6
277.21527	2.1
278.01248	0.5
279.19476	1.4
282.01324	0.7
287.20032	41.1
288.20377	3.0
291.19501	5.6
300.02289	0.7
305.21091	100.0
306.21481	6.5
323.18350	0.9
323.22174	18.6
323.25677	1.0
324.22498	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45351	0.8
53.03942	1.4
55.01875	7.2
55.05513	8.5
57.03437	29.5
57.07073	1.4
65.03946	1.9
67.05159	1.7
67.05504	28.9
69.03416	1.6
69.07072	4.5
69.61726	3.2
71.04997	4.0
73.21370	0.8
74.12355	0.8
79.05492	17.4
81.03419	1.7
81.07056	22.8
83.04989	6.5
83.08636	3.9
85.02905	2.1
85.06047	1.7
85.06547	28.3
91.05482	12.0
93.07053	15.9
95.04972	39.7
95.08611	10.0
97.06544	3.7
97.10167	2.5
98.97577	3.2
99.08107	1.0
105.07030	9.9
107.04961	4.1
107.08600	11.6
109.06519	32.5
109.10181	4.3
111.04456	7.3
111.08053	4.3
113.06008	100.0
114.06345	1.4
115.05438	0.9
117.07023	6.3
117.57463	0.8
119.08563	9.5
121.06523	4.3
121.10144	5.1
123.08066	4.0
125.05999	1.6
125.09650	1.3
129.07002	4.1
131.08542	9.5
133.06491	2.3
133.10130	4.5
135.08051	23.4
135.11720	6.0
137.05957	1.0
137.09625	2.0
141.07146	1.0
143.08566	5.0
145.10100	6.5
147.08092	4.2
147.11696	1.8
149.09622	3.9
153.12750	3.2
155.08510	1.4
157.10153	3.0
159.08124	1.1
159.11703	3.9
161.09625	5.1
161.13242	1.5
163.11189	6.4
165.09105	1.2
165.12776	1.2
171.11740	1.8
173.09622	1.3
173.13277	1.2
175.11156	2.8
177.12769	2.1
181.12247	4.7
185.13271	1.3
191.10677	3.5
199.11205	1.5
199.14862	1.6
201.12819	1.4
217.15898	6.6
227.12775	4.5
227.17929	1.1
233.15506	1.3
237.16570	1.2
245.18903	1.1
247.27945	0.8
249.14859	1.5
255.17409	2.7
258.99734	1.7
267.16058	0.9
273.18497	19.5
277.00839	2.5
287.19934	5.5
291.19547	48.9
292.19946	3.1
305.21127	17.4
306.21368	1.3
323.15863	1.3
323.22122	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.01860	2.3
55.05508	14.9
56.05883	1.0
57.03438	2.5
57.07064	3.8
65.03916	1.4
66.07560	0.8
67.05502	33.5
67.19707	0.9
69.07063	14.1
69.47002	4.1
71.04981	2.9
71.08628	47.3
73.84036	0.8
74.43343	1.2
77.27841	0.8
79.05488	36.9
79.05954	2.0
80.05857	1.1
81.03416	7.1
81.06562	2.1
81.07050	43.5
83.04988	8.8
83.08611	7.6
85.06541	1.5
91.05472	21.4
93.07042	48.9
95.04958	10.1
95.08600	29.3
97.06536	7.9
97.10172	2.2
98.22693	0.9
99.08086	38.3
100.08449	0.9
105.04523	2.1
105.07024	16.3
107.04959	6.8
107.08591	25.6
109.06507	3.1
109.10132	9.2
111.08036	1.3
113.09649	2.8
115.51656	1.0
117.07018	4.1
119.08570	12.5
121.06538	1.3
121.10133	26.1
123.08088	1.3
123.11695	1.3
125.09624	1.2
129.06929	2.0
131.08527	4.3
133.10123	9.4
135.11682	32.7
136.12038	1.5
137.09615	4.4
139.11182	1.2
141.09090	3.2
143.08560	1.9
145.10124	4.2
147.11684	3.7
149.13257	10.8
151.11180	17.6
153.12732	1.9
157.10159	1.9
159.11653	4.1
161.13248	11.1
163.11226	6.2
163.14798	2.8
165.12744	1.6
167.10677	2.5
171.11723	1.5
173.13274	1.0
175.14836	1.6
177.12758	3.6
179.14296	100.0
180.14664	3.6
185.13289	1.8
189.12799	2.2
195.13864	1.5
207.13739	1.1
221.11951	1.0
221.15392	2.9
235.16945	4.0
241.19528	2.1
259.18222	1.0
259.20578	6.2
277.21616	60.0
278.21860	2.5
323.19504	3.6
323.25739	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	324.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.0
56.96563	14.4
57.03426	4.3
58.80202	1.3
67.05487	4.2
69.07083	2.7
79.05463	3.3
81.07041	3.9
87.04458	3.0
91.05485	4.4
93.07042	8.5
95.08592	4.0
96.97173	1.3
97.96793	3.7
98.97586	4.6
105.07011	2.4
107.04926	2.2
107.08587	1.8
109.06485	3.4
109.10174	2.7
110.97564	4.1
111.08072	2.0
115.97839	2.8
116.98622	2.6
119.08600	1.6
121.06518	3.5
121.10117	3.0
127.03995	1.5
128.98601	5.4
131.08510	1.8
133.10159	1.8
134.99626	1.7
135.08054	2.4
137.09637	1.3
161.01163	1.6
163.03915	5.3
167.00188	3.0
169.10004	1.4
171.03317	2.1
181.01666	1.7
185.01207	3.7
185.04863	2.5
189.04314	2.4
191.10748	1.4
198.05641	3.1
199.02693	7.3
199.06357	1.3
203.05881	2.1
204.06761	1.5
213.04303	2.1
213.07945	11.6
214.08813	2.7
216.06703	3.8
217.03841	3.1
217.07408	2.2
225.07913	3.7
231.09010	9.3
232.09909	2.6
239.09541	7.6
242.08313	3.4
243.08897	1.9
251.09447	9.2
257.10596	56.6
258.10995	2.3
259.99915	1.8
264.19620	2.4
269.10599	75.1
270.10999	3.0
275.11646	22.2
280.12314	3.9
283.12146	33.0
284.12405	1.8
287.11655	33.8
289.17770	2.5
292.12225	7.2
301.13205	100.0
302.13535	4.1
319.14200	4.1
324.14789	13.3
324.18155	2.5
324.21735	4.6
325.16168	1.6
343.62308	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1806
Annotation	Alloxydim
Peak:m/z	Relative Intensity
53.03931	0.7
55.01872	2.0
55.05488	1.2
57.03432	0.6
59.04972	0.6
63.36344	0.3
64.23338	0.4
67.05487	0.4
69.03423	2.9
69.07065	4.6
69.22910	0.9
69.23312	0.9
71.04965	0.5
72.08129	0.3
73.02914	4.8
73.06555	2.7
79.05474	1.2
79.95238	0.3
81.03416	6.6
81.07053	0.4
83.33425	0.3
84.08123	0.7
85.02480	0.4
85.02908	3.3
85.07526	0.3
86.09682	0.4
87.04488	0.4
89.03909	2.3
91.05466	0.6
93.07044	0.5
95.04976	0.5
97.02877	1.3
97.06535	0.6
99.04440	1.0
105.07017	0.4
106.06520	0.4
107.04949	1.2
107.08539	0.5
109.02877	2.5
109.06509	0.3
109.10071	0.3
111.08065	0.3
112.11148	0.3
117.03374	4.1
118.06535	28.0
119.07273	1.4
120.08113	0.5
127.03890	1.2
131.04913	0.4
134.29144	0.4
135.04414	9.4
136.07523	0.6
142.25769	0.3
145.02849	6.6
145.04936	0.5
146.05997	11.6
147.06352	0.4
148.03880	0.3
150.09131	1.1
151.09933	1.9
163.03893	52.5
178.08623	43.4
179.08984	1.3
181.04982	1.6
184.07378	0.5
204.10132	0.5
208.09706	0.8
209.10611	0.4
210.11256	3.7
220.13281	0.6
232.13298	8.3
250.14314	0.4
260.09998	0.4
260.12726	3.7
276.35306	0.4
292.15414	36.2
293.15860	1.9
294.13498	0.6
306.20575	0.7
307.08112	7.9
324.18030	100.0
325.09476	1.2
325.18271	4.8
344.81613	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2169
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
53.03942	0.6
55.01868	2.0
55.05513	3.9
57.03430	1.5
57.07071	0.7
67.05501	7.3
69.03425	1.6
69.06702	1.0
69.07063	11.8
71.04990	1.4
73.06561	0.5
73.34846	0.5
79.05492	7.4
81.03419	0.7
81.07059	10.5
83.04987	5.1
83.08625	1.4
85.02904	1.2
85.06527	0.8
86.09705	100.0
87.10043	1.6
87.81275	0.5
91.05473	12.6
92.17159	0.5
93.07047	15.3
94.07346	0.5
95.04982	4.7
95.08589	4.1
97.06529	3.7
97.10210	1.1
98.22614	0.9
98.97573	0.7
99.08092	0.8
100.20597	0.5
103.05412	0.6
105.06342	0.9
105.07031	16.1
107.04935	2.5
107.08598	4.3
109.02873	0.5
109.06517	9.6
109.10159	2.3
111.08065	4.1
111.82726	0.4
116.98599	0.5
117.07028	1.7
119.08568	5.8
121.06502	2.0
121.10128	2.6
123.08084	2.2
123.11707	1.1
125.09633	0.5
128.10724	5.2
129.07001	1.8
131.08582	5.1
132.10202	31.7
133.06497	1.5
133.10120	18.5
134.10410	0.7
134.99600	0.5
135.08066	1.4
137.05981	0.8
137.09627	1.0
143.08650	0.5
145.10126	1.4
147.08055	1.4
147.10641	0.3
147.11684	13.8
149.09589	3.0
149.13257	1.5
151.07562	3.9
151.11179	42.0
152.11520	1.6
156.10242	1.6
157.10129	0.8
159.08047	0.5
159.11668	0.5
163.03918	0.7
165.12825	2.4
169.10281	0.4
175.11191	3.9
193.12178	4.6
210.14973	0.7
219.13725	0.5
222.12906	0.5
222.14908	1.2
238.14430	0.5
251.04204	0.5
259.99939	0.5
260.20105	6.2
273.18478	2.3
278.00961	0.6
278.21133	30.2
279.21500	1.8
289.17932	1.0
291.19730	0.7
293.09161	0.5
306.20633	6.9
309.34015	0.5
324.21692	20.3
325.19574	0.8
325.22519	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0919
Annotation	Skimmin
Peak:m/z	Relative Intensity
52.66352	0.2
53.03945	1.2
55.01868	0.6
56.96554	0.4
57.03429	1.0
61.02916	0.7
63.02344	0.3
69.03431	4.5
69.55860	0.8
69.56241	0.5
71.04983	0.9
73.02898	0.5
75.24344	0.2
77.76028	0.3
79.05486	1.2
81.03416	10.0
81.07053	0.4
83.35189	0.2
84.08133	0.3
85.02405	0.5
85.02905	8.7
85.06551	0.6
88.58141	0.2
89.03912	5.6
91.05508	0.3
95.04939	0.3
97.02891	2.5
98.23447	0.5
99.04468	1.8
99.29797	0.2
102.20730	0.2
107.04953	2.4
109.02877	3.9
109.06505	0.3
117.03378	9.4
117.09120	0.5
127.03921	2.6
127.07552	0.8
128.07863	0.4
130.04947	0.2
131.35104	0.2
134.93907	0.2
135.04414	17.8
136.04735	0.7
145.02847	13.0
145.04842	1.6
146.03200	0.4
158.96254	0.3
163.03897	100.0
164.04234	3.4
178.05460	0.3
181.04955	2.9
196.09709	0.3
199.48807	0.2
222.04391	0.9
240.05496	0.7
241.83583	0.3
265.07254	0.3
266.10236	0.3
303.12717	0.2
307.08118	11.6
308.08307	0.7
320.01324	0.3
325.09155	3.6
326.12506	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.092
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03938	1.7
54.04398	0.2
55.01870	1.0
57.03437	2.1
58.98551	0.2
61.02920	0.6
63.02358	0.3
63.98262	0.2
67.47561	0.2
67.69605	0.2
69.03425	9.3
70.52087	0.4
71.01344	0.5
71.04989	2.6
73.02896	0.8
79.05494	1.5
81.03413	19.7
82.03748	0.2
84.08141	1.8
85.02903	6.0
89.03909	7.0
91.05463	0.5
95.01295	0.2
95.04948	0.5
97.02871	1.4
99.04442	3.1
101.09093	0.2
107.04939	2.6
109.02877	4.9
116.04994	0.3
117.03372	9.8
117.04204	0.5
117.05458	0.3
118.03728	0.4
118.06523	1.2
119.05882	0.2
127.03909	1.0
130.08624	0.4
135.04407	18.9
136.04781	0.4
137.05957	0.3
144.61659	0.2
145.02844	15.0
145.07594	2.0
146.03169	0.6
147.09161	2.4
148.09454	0.2
151.09850	0.2
162.07903	0.3
163.03891	100.0
164.04251	2.6
164.07050	0.2
173.07111	3.9
175.08691	1.9
178.08626	0.4
181.04964	2.2
182.05255	0.2
191.08142	32.0
192.08452	1.2
196.09715	1.1
205.09766	0.3
233.09200	0.6
289.11911	0.5
307.08084	13.6
307.12820	10.5
308.08252	0.3
308.13101	0.2
309.68564	0.2
314.99594	0.2
325.09235	1.7
325.13882	8.8
325.17578	1.2
325.21616	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0919
Annotation	Skimmin
Peak:m/z	Relative Intensity
51.02384	0.2
53.03947	2.1
55.01870	0.6
57.03430	0.9
59.57959	0.2
63.02381	0.2
67.05509	0.3
69.03430	5.2
69.11890	1.6
69.30867	0.2
69.77308	0.2
71.04974	0.9
71.52605	0.2
73.02904	0.6
79.05489	1.4
81.03413	16.3
81.07066	0.3
82.03769	0.2
84.08123	0.3
85.02910	5.3
87.04439	0.5
87.62983	0.3
89.03915	5.7
91.05506	0.3
93.07002	0.3
95.04969	0.3
97.02891	1.3
97.06548	0.3
98.23438	0.5
99.04465	1.4
107.04947	2.4
109.02882	6.2
117.03372	9.3
118.03671	0.3
118.06528	0.4
127.03902	2.0
134.92694	0.3
135.04414	16.9
136.04709	0.3
145.02849	12.6
145.04817	0.5
146.03247	0.6
146.06018	0.4
151.09982	0.2
163.03894	100.0
164.04222	3.0
178.08607	0.8
181.04961	2.9
186.05457	0.3
195.29886	0.2
222.07570	0.4
265.03992	0.4
265.06894	0.3
266.10208	0.9
268.61624	0.3
293.15753	0.5
307.08105	17.5
307.52261	0.2
308.08447	0.8
314.85730	0.2
324.18021	0.3
325.09073	2.1
325.14636	0.3
325.18234	1.2
326.12341	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0921
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03940	0.9
55.01864	0.5
55.05490	0.3
57.03425	0.9
59.04994	0.3
61.02923	0.6
67.05502	0.7
69.03430	4.5
69.07062	0.9
70.71361	0.3
71.04988	0.9
77.03921	0.3
79.05488	2.2
79.64394	0.2
81.02962	0.4
81.03420	6.0
81.07053	1.7
83.08620	0.4
85.02904	4.3
89.03914	5.7
91.05484	0.6
93.07040	0.9
95.04960	0.8
95.08602	1.6
97.02884	1.5
97.06525	0.4
98.98566	0.2
99.04454	0.7
99.08111	0.3
100.50739	0.2
105.07053	0.6
107.04965	2.6
107.08584	0.9
109.02892	1.8
109.06518	0.2
109.10165	0.8
111.08089	0.5
117.03380	8.6
118.03764	0.2
119.08553	0.4
121.10157	0.5
123.08069	0.5
123.11700	0.7
127.03915	1.5
133.10132	0.3
135.04414	18.1
135.08051	0.6
135.11681	0.2
136.04768	0.6
137.05949	0.3
145.02847	12.7
145.04831	0.5
146.03200	0.5
153.09120	0.3
153.12753	0.5
163.03899	100.0
164.04257	3.0
164.07043	0.5
165.07329	0.7
167.07011	0.3
181.04961	2.4
187.11058	0.2
190.07692	0.2
191.08516	0.4
195.08025	0.3
207.08099	0.3
218.07314	0.3
219.08047	0.9
222.06889	0.3
237.09120	0.5
239.07085	0.2
247.07590	0.7
250.06386	0.6
254.09888	0.2
265.08548	1.2
265.12662	1.4
293.07883	1.3
295.05966	0.4
297.11209	0.4
307.08063	5.8
307.18979	0.2
325.10245	2.7
325.16193	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	325.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03731	0.3
53.03939	3.1
55.01867	2.6
57.03436	3.8
59.04978	0.4
61.02905	1.2
67.05483	0.3
69.03426	21.6
69.60983	0.7
69.61386	0.4
70.03754	0.3
71.01332	1.0
71.04984	5.6
73.02891	0.9
75.04457	0.4
77.03946	0.3
79.05466	1.2
81.03413	30.8
82.03727	0.5
84.07724	0.3
84.08133	2.9
85.02403	0.6
85.02895	6.5
87.04454	0.5
89.03384	0.4
89.03909	6.1
90.04213	0.3
91.05486	1.2
95.04941	0.5
97.02869	1.8
99.04452	7.5
105.49448	0.3
107.04965	2.2
109.02878	5.0
116.04958	0.4
117.03370	9.0
117.05480	2.2
118.06529	4.8
127.03915	1.9
130.08609	0.5
131.04984	0.4
135.04407	17.6
136.04771	0.3
137.05980	2.0
145.02843	13.2
145.04932	0.7
145.06465	0.5
145.07594	7.8
145.46790	0.3
146.03212	0.3
146.06027	0.5
147.05482	0.3
147.09154	7.7
151.03891	0.3
151.07513	0.7
159.09152	0.3
162.07826	0.9
163.03891	94.0
164.04231	4.0
164.07074	0.3
172.06219	0.4
173.07095	11.9
174.07407	0.3
175.07269	0.4
175.08684	6.0
178.08627	1.3
181.04938	2.7
181.44211	0.3
185.07314	0.3
186.07921	0.3
187.08815	0.3
190.07353	0.4
191.08136	100.0
192.08495	3.4
196.09717	2.4
203.08174	0.4
205.09764	0.8
215.11761	0.5
229.09708	0.3
231.11234	0.6
233.09294	1.3
236.67952	0.3
243.11197	0.3
265.06921	0.4
271.10852	0.6
289.11786	1.7
307.08121	11.7
307.12848	34.2
308.08426	0.9
308.13162	1.9
325.13934	28.8
325.17462	2.2
326.11719	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55348	0.4
55.01860	0.5
56.05015	1.5
57.03424	1.8
61.02921	0.6
69.03437	3.7
70.06554	0.4
70.20016	0.9
81.03397	1.4
84.04501	16.6
84.05009	0.8
84.08141	3.8
85.02902	36.0
85.06533	0.5
86.06069	1.1
87.04456	1.6
92.22541	0.4
95.01324	3.3
97.02894	1.5
99.04430	0.6
102.05537	12.5
109.02911	0.6
112.03954	1.7
113.02361	2.0
115.03886	0.4
117.03374	0.8
117.05744	0.6
118.06514	2.1
127.03910	3.7
130.04997	100.0
131.05313	1.5
131.11417	0.4
135.04396	1.9
135.64212	0.4
145.02850	1.1
145.04990	2.6
145.07573	0.8
146.06010	12.0
147.06372	0.4
163.03899	7.9
164.07047	5.1
166.04970	0.5
178.08624	22.6
179.08922	0.6
196.09683	99.8
197.10051	3.8
222.11224	0.6
223.86340	0.4
236.09070	0.4
251.94777	0.4
307.08200	0.7
308.11273	4.0
311.31589	0.4
325.13956	32.9
325.17517	2.7
326.11835	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	325.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.5
55.01872	35.1
55.05510	75.0
56.98315	3.9
57.03448	38.5
59.04999	7.5
61.14089	4.2
67.05508	62.7
69.03431	20.7
69.07065	24.4
71.01337	4.5
71.04984	17.5
79.05492	71.7
81.03417	35.8
81.07056	100.0
83.01348	19.2
83.04989	55.9
83.08622	47.3
85.02917	17.5
85.06555	8.8
87.04444	5.3
91.05491	40.8
93.07050	62.9
95.04995	24.3
95.08620	34.7
97.02875	5.8
97.06538	25.9
97.10174	39.9
98.22725	12.7
99.04436	6.0
99.08106	7.1
103.05475	5.7
105.07022	28.1
107.04953	33.3
107.08595	54.5
109.06525	23.8
109.10177	33.3
111.04452	43.1
111.08085	19.7
113.06036	7.1
117.06986	23.2
119.08572	41.0
121.06507	18.9
121.10130	26.6
123.08091	33.8
125.05867	5.7
125.09631	33.4
127.03905	7.0
129.07066	8.0
131.08582	20.5
133.10118	15.0
135.04424	11.1
135.08067	25.6
135.11705	31.5
137.05888	6.6
137.09639	17.4
143.08612	7.2
145.02863	6.6
145.06465	7.1
145.10117	35.3
147.08076	11.9
149.09634	12.5
151.07555	9.0
153.09103	8.7
153.12769	19.4
155.08592	9.1
159.08054	11.3
159.11684	6.8
161.09636	7.2
163.03894	57.0
163.07582	12.5
163.11182	84.8
163.12450	7.5
173.09612	23.1
177.09077	4.3
178.83948	4.8
181.12230	29.9
189.11263	16.0
191.10640	38.6
209.11720	87.3
227.12733	70.4
233.15564	5.2
239.16440	8.0
245.15308	6.9
253.15811	5.6
261.18503	14.1
263.16397	20.5
269.10553	5.3
271.16934	14.0
279.41678	4.2
281.17511	5.6
289.17960	74.6
301.96313	4.5
307.08264	6.2
307.19055	64.6
325.07242	6.6
325.10641	12.4
325.14188	46.5
325.20132	15.5
326.14075	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	325.1434
Annotation	Otobain
Peak:m/z	Relative Intensity
53.03952	1.1
54.57446	0.4
55.01873	0.5
57.03443	1.0
61.02932	1.0
63.02402	0.4
67.05508	0.8
69.03429	6.8
69.03796	0.5
71.04984	0.9
79.05482	3.3
81.03416	10.7
81.07056	2.1
83.05006	0.5
83.08633	0.5
85.02905	7.8
87.04460	4.4
88.04810	1.8
89.03908	4.6
91.05467	3.9
93.07038	1.5
94.04197	1.0
95.04964	1.4
95.08617	0.8
97.02908	2.9
98.73106	0.5
99.04450	1.7
103.05469	4.5
104.06260	0.6
105.07014	1.6
107.03740	0.5
107.04951	3.3
107.08573	1.5
109.02875	5.8
109.06541	0.6
109.10150	0.5
111.07981	0.4
115.05451	4.0
117.03374	8.2
117.06992	3.4
119.04959	0.5
119.08580	3.8
121.06500	0.5
121.10194	0.6
122.03645	2.0
127.03927	4.0
128.06212	1.4
129.07004	4.0
131.04924	8.9
132.05710	3.8
135.04411	18.2
135.08052	1.5
137.05971	33.8
138.06358	1.1
139.47668	0.5
141.06985	4.3
142.93140	0.5
145.02855	13.3
145.03966	0.9
145.04875	2.9
145.06491	1.3
145.10179	0.6
146.05925	0.5
147.08043	9.0
151.03923	0.6
151.07597	0.6
157.06471	1.2
159.08032	0.6
160.05168	2.3
161.06023	2.9
163.03897	100.0
163.07538	7.8
164.04272	3.3
164.07007	3.2
165.07426	4.0
169.06483	7.7
170.07292	0.5
175.07538	45.2
176.07893	1.4
178.08649	0.8
179.08545	0.6
181.04988	3.5
181.08586	0.9
185.05968	0.6
186.06763	0.8
187.07550	1.8
189.09119	3.8
194.07240	0.5
201.09102	4.2
205.10052	0.7
208.06078	0.5
219.07994	0.9
222.07487	1.3
233.09682	2.3
236.08368	0.6
237.09102	1.0
250.10576	1.5
251.11067	7.7
252.08653	2.0
256.07993	0.5
261.09045	1.8
265.08548	0.6
265.12210	1.1
266.10248	2.7
283.09885	0.6
293.08017	2.0
293.11594	2.1
294.09634	0.7
297.11035	1.2
307.08087	9.7
308.08435	0.6
323.82767	0.5
325.10333	4.3
325.14264	30.0
326.11731	0.8
326.14691	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2011
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03949	6.7
55.01869	8.9
55.05515	28.2
56.22733	2.9
57.03437	28.7
67.05504	52.3
69.03430	11.3
69.07062	13.4
69.34005	14.3
69.91457	2.4
71.05000	7.6
74.92928	2.7
77.03922	4.1
79.05487	41.0
80.91698	2.9
81.03408	23.3
81.07052	44.4
83.04996	15.9
83.08636	18.7
84.08132	3.6
85.02905	6.7
85.06563	4.4
91.05482	58.2
93.07046	100.0
94.07386	3.0
95.04965	33.7
95.08607	36.3
97.02911	5.7
97.06532	18.1
97.10194	10.1
98.97615	5.4
99.04456	3.9
103.05468	4.5
104.63779	2.6
105.04524	4.6
105.07044	26.9
107.04943	22.7
107.08601	23.4
109.02881	5.8
109.06512	15.8
109.10126	15.1
111.08105	17.0
113.06030	4.5
117.03356	3.5
117.06295	2.9
117.06984	13.1
119.08575	20.8
121.06501	45.9
121.10160	10.6
123.04404	5.1
123.08072	8.8
125.06014	3.9
125.09619	7.8
127.03926	4.6
129.07010	6.4
131.08572	21.1
133.06491	10.4
133.10153	16.9
135.04402	5.7
135.08084	18.8
137.06038	3.9
137.09628	13.3
139.07536	10.8
143.08582	5.8
145.02911	3.7
145.04968	3.5
145.10107	14.9
145.96791	2.8
147.08046	11.4
147.11659	8.5
147.90860	2.7
149.09642	11.1
151.11227	3.7
153.09099	8.4
155.08540	4.5
157.10123	3.9
159.08107	4.0
159.11719	7.0
161.09610	3.9
163.03906	28.6
163.07526	6.9
163.11212	4.9
164.61687	2.7
165.09125	6.7
167.10703	4.9
169.10120	5.0
171.11732	6.5
173.09612	5.5
173.13191	3.5
175.11201	3.7
177.09094	5.8
181.05014	2.6
181.08646	4.1
185.13510	3.6
187.11275	3.9
187.14836	5.8
191.10793	4.0
193.12196	7.5
199.11249	3.7
215.14293	5.3
217.12225	6.2
233.15276	7.7
235.13269	6.1
243.17545	3.6
257.10675	4.3
258.11014	12.2
261.18527	7.9
269.10709	6.5
270.10950	20.9
271.16919	10.3
273.18430	14.7
276.12027	5.0
279.00421	3.6
284.12521	12.1
287.11649	3.3
288.11966	6.2
289.17993	35.1
291.19525	5.1
293.12613	4.6
301.13223	5.5
302.13483	23.4
304.88467	3.0
307.19110	17.8
325.15961	10.4
325.20074	12.4
326.26724	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	325.201
Annotation	Albocycline M-7
Peak:m/z	Relative Intensity
53.03941	4.3
55.01867	12.1
55.05511	63.5
57.03435	32.8
57.03699	2.5
57.07066	1.4
59.04995	3.6
63.69478	1.2
63.79180	1.2
65.03941	2.7
67.05505	52.2
69.03432	11.3
69.07071	20.7
69.69229	1.2
70.07429	1.9
71.04995	11.0
73.02966	1.3
79.05492	48.3
79.35724	1.1
80.05838	1.3
81.03417	16.8
81.07055	33.9
83.04984	12.5
83.08623	30.5
85.02897	6.3
85.06533	3.8
86.09711	10.6
87.10040	5.6
88.48243	1.2
91.05476	33.9
92.05799	1.8
93.07044	29.5
93.07611	2.5
95.01327	11.4
95.04971	29.8
95.08607	12.2
96.08949	1.8
97.02901	2.0
97.06534	18.9
97.10171	42.9
97.18123	1.1
98.10532	1.6
98.97570	2.3
99.04472	1.8
99.08102	2.1
101.06087	1.1
104.66939	1.2
105.04536	2.0
105.07035	23.9
107.04951	25.3
107.08592	29.7
108.08965	1.2
109.02870	4.4
109.06513	23.2
109.10152	21.6
111.04431	6.9
111.08067	6.1
113.06006	4.3
115.05467	3.0
115.07568	4.3
117.03362	1.7
117.07033	11.9
119.08594	16.3
121.02893	2.4
121.06500	19.9
121.10107	6.8
123.04433	7.0
123.08081	7.0
125.06020	1.4
125.09631	33.9
128.06195	2.4
129.06995	4.9
131.04906	2.1
131.08557	10.4
132.10190	2.7
133.06508	4.6
133.10072	9.8
134.10452	2.8
135.04404	6.5
135.08044	28.4
135.11719	1.5
137.05986	2.7
137.09613	14.0
141.06990	2.9
143.08540	3.0
143.10603	1.4
144.05713	2.0
145.02881	2.6
145.06477	3.6
145.10136	7.2
147.08040	10.2
147.11691	13.7
149.09607	3.3
151.11191	5.6
152.11520	3.5
153.09102	4.4
155.08562	2.7
155.10696	1.5
157.10136	3.9
159.08055	100.0
159.11661	3.6
160.08388	2.9
161.09634	8.0
163.03908	23.5
163.07518	12.7
163.11227	4.0
165.09154	1.8
165.12894	1.3
169.10144	2.6
171.10266	2.8
171.11687	1.9
173.09595	7.2
173.11794	3.0
173.13214	1.8
175.07578	3.7
175.11212	4.5
177.09120	3.4
185.09619	11.1
187.11134	2.4
187.14778	2.5
189.11201	20.6
189.12712	2.1
193.12231	4.4
197.09628	2.1
197.13289	2.6
199.11221	3.1
201.12717	1.4
211.11270	2.8
215.14381	6.1
221.11748	5.6
223.13324	1.7
225.16428	1.8
228.90652	1.8
233.15376	8.7
237.14868	11.1
239.12788	2.9
243.17502	5.6
253.15858	26.4
254.16272	1.6
261.18448	5.2
263.16376	1.7
271.16931	35.4
272.17377	3.0
273.18478	3.2
275.19922	2.1
279.21515	4.2
289.17978	89.0
290.18362	5.6
307.08203	3.1
307.19016	68.5
308.19373	5.1
325.19913	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	325.201
Annotation	Hynapene A
Peak:m/z	Relative Intensity
50.57162	1.0
53.03942	7.1
55.01873	9.8
55.05515	15.0
57.03189	1.0
57.03440	12.5
57.07059	1.1
65.03948	1.3
67.05504	47.6
69.03420	6.5
69.07068	16.9
69.18373	5.0
71.05000	5.6
79.05494	26.5
81.03421	15.6
81.07056	44.7
82.07372	1.8
83.04981	17.7
83.05440	1.8
83.08613	6.0
83.77559	1.0
84.94436	1.0
85.02920	2.0
85.06554	7.0
87.84900	1.0
90.75934	1.2
91.05481	28.1
93.07040	26.7
95.04975	12.4
95.08606	19.7
97.02963	1.1
97.06532	100.0
97.10168	4.2
98.06826	2.0
99.04458	2.8
99.08102	2.1
105.04494	1.9
105.06345	1.9
105.07027	26.6
107.04954	14.2
107.08595	23.3
109.06525	9.1
109.10156	37.3
111.04433	12.0
111.08080	8.8
113.06010	9.5
115.07588	1.9
117.07020	6.9
119.04930	1.2
119.08589	9.4
121.06525	7.3
121.10159	5.2
123.04413	3.6
123.08068	9.1
123.11713	5.2
125.05982	2.9
125.09633	2.8
127.07551	2.1
129.05487	1.2
129.06989	3.0
131.08572	8.6
133.06467	2.4
133.10127	39.4
134.10448	1.5
135.08017	6.1
135.11684	5.8
137.05969	2.2
137.09593	3.7
139.32796	1.0
141.06953	1.3
143.08549	1.9
145.06505	5.9
145.10112	3.9
147.08034	4.6
147.11662	3.3
149.09622	2.4
149.13268	3.1
151.07544	1.0
151.10025	1.8
151.11179	19.6
153.09103	1.3
155.08492	1.3
157.10133	2.0
159.08064	7.8
159.11649	5.9
161.09642	2.8
163.07535	2.5
163.11252	3.0
165.09160	1.8
169.10109	2.4
169.12271	4.6
171.11703	1.6
173.09607	2.6
175.11137	2.5
177.09090	2.2
177.12801	7.1
179.10657	2.5
187.11234	8.1
187.14877	1.4
191.10748	1.2
193.12210	3.3
195.13795	5.5
197.11612	1.2
199.11140	1.1
201.12663	1.3
205.12183	2.5
205.15875	2.1
211.13353	3.1
215.12723	2.9
215.14514	1.9
221.11716	2.9
223.13263	8.5
225.16316	1.3
233.15396	6.3
237.14894	1.5
241.14314	11.7
243.17488	3.2
247.13292	1.6
247.71693	1.3
261.18436	9.0
271.16867	10.2
275.20139	1.7
279.19577	1.1
289.17960	41.7
290.18362	2.6
307.19019	18.9
325.20120	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	325.201
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03946	22.9
55.01869	11.3
55.05264	2.8
55.05511	43.1
57.03441	13.3
59.04987	2.3
59.46992	2.1
65.03918	5.6
65.78070	2.2
67.05503	75.8
68.05841	2.7
68.85007	2.1
69.03423	7.0
69.07066	17.5
71.01349	2.3
71.04990	42.3
71.21185	2.9
73.02883	2.9
77.03922	5.1
79.05489	65.7
81.02962	3.7
81.03419	51.0
81.06577	5.1
81.07056	100.0
82.07355	3.2
83.04977	49.5
83.08631	12.7
85.02914	3.0
85.06537	4.3
91.04944	4.0
91.05478	48.4
93.07046	55.1
95.04971	32.2
95.08600	46.9
96.08862	2.4
97.06541	10.3
97.10155	7.6
97.50523	2.0
98.97572	4.0
99.04467	2.4
99.08051	3.5
100.26514	1.9
101.06010	3.6
103.05382	2.8
105.04503	3.7
105.07022	36.0
107.04957	29.4
107.08586	22.6
109.02840	4.1
109.06521	32.6
109.10130	7.4
111.04403	2.7
111.08092	6.4
113.05998	3.3
116.82868	1.8
117.07022	16.2
119.04851	2.0
119.08572	23.1
121.06516	15.3
121.10149	16.9
123.04440	5.0
123.08080	14.9
125.09590	5.8
127.07472	2.2
128.06210	3.8
129.06984	9.5
131.08574	18.9
133.06453	7.5
133.10135	20.9
134.57578	2.2
135.04335	3.5
135.08075	12.4
135.11661	12.6
137.06006	2.5
137.09645	10.7
138.90302	2.3
139.07425	2.3
139.11131	3.6
141.06970	7.1
143.08557	6.6
145.06461	11.7
145.10078	11.9
147.08052	12.1
147.11694	11.5
149.09592	5.6
149.13261	5.9
151.07532	3.8
151.11089	2.3
153.09113	2.4
155.08571	3.5
156.72911	2.2
157.10112	7.2
159.08046	15.1
159.11714	12.9
159.12787	2.2
161.09596	9.9
161.13258	8.4
163.03941	3.3
163.07448	2.9
163.11162	4.9
165.09106	2.3
169.10130	7.2
171.11734	11.0
173.09602	6.1
173.13254	5.4
175.11220	4.0
177.09097	3.1
177.12718	8.6
179.10722	4.9
183.10141	6.3
183.11693	3.1
185.09634	3.4
185.13234	3.1
187.11159	8.8
189.11250	2.9
189.12747	3.5
191.14345	2.9
195.13879	3.3
201.12758	3.4
203.14221	2.4
205.12242	5.2
207.13762	14.1
215.14380	3.8
217.12209	4.0
219.13802	6.4
220.26044	2.0
233.11801	3.5
233.15399	3.2
235.13327	2.6
237.14841	6.2
239.13673	2.0
241.14325	3.3
243.17525	3.9
249.14803	8.3
253.15941	3.1
261.18500	17.9
263.16406	3.6
271.16974	24.7
279.19489	2.3
289.17947	77.8
290.18463	5.9
307.18884	12.5
325.11887	2.4
325.20056	74.3
326.20364	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	325.2011
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03939	2.9
54.58405	1.0
55.01870	8.6
55.05510	16.2
57.03433	6.2
65.03953	1.2
65.96780	0.9
66.04651	0.9
67.05504	42.2
69.03429	6.7
69.07067	17.9
71.04987	9.7
77.03927	1.5
79.05492	22.8
81.03405	6.0
81.07053	34.2
82.07362	1.0
83.04985	9.2
83.08615	7.6
85.02876	1.2
85.06541	7.6
91.05477	32.5
93.07043	25.1
94.07392	1.0
95.04973	11.1
95.08608	11.8
97.02876	2.4
97.06528	100.0
97.10146	2.0
98.06832	2.3
98.97565	1.5
99.04449	3.3
99.08081	4.6
105.04532	1.6
105.07030	27.3
107.04952	5.3
107.08589	22.9
109.02863	1.3
109.06510	8.0
109.10151	39.7
110.10569	1.0
111.04439	3.2
111.08073	13.5
112.08454	1.2
113.05985	2.7
115.07555	3.4
116.98572	1.1
117.07006	4.3
119.08559	8.9
121.06491	5.8
121.10130	3.8
123.04424	3.7
123.08092	4.4
123.11718	4.7
125.09603	3.3
127.07545	3.1
129.06992	2.0
131.08554	7.2
133.06448	2.6
133.10123	43.0
134.10445	1.9
135.08066	4.6
135.11659	2.9
137.05956	4.2
137.09593	2.9
143.08542	3.2
145.06485	2.0
145.10132	3.3
147.08038	4.0
147.11646	2.4
149.09578	3.3
151.07564	1.8
151.11179	29.9
152.11534	1.2
152.70499	0.9
155.08575	2.3
157.10147	1.9
159.08052	3.7
159.11734	1.7
161.09619	2.5
163.03862	1.9
163.07573	1.9
163.11217	1.6
165.09058	1.1
169.10089	2.3
169.12245	6.1
171.11772	2.1
173.09641	3.1
175.11198	1.8
177.09091	2.7
177.12761	1.3
179.10672	2.8
187.11160	1.9
189.11145	1.1
189.12799	1.6
191.10649	1.0
193.12195	2.9
199.11186	1.2
201.12758	1.2
201.16342	1.1
207.13828	2.6
211.13196	2.3
215.12796	2.7
215.17819	1.3
217.12033	1.0
219.13855	1.6
223.13393	0.9
229.15776	1.0
233.15221	1.3
235.13284	3.6
237.14949	1.2
238.15468	1.0
243.17439	3.7
253.15813	1.7
260.99731	1.3
261.18484	6.0
263.16464	2.5
271.16922	7.6
272.17255	0.9
279.19449	1.9
289.17972	32.1
290.18320	1.8
307.19031	13.9
325.14001	12.1
325.20087	9.2
325.28720	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2012
Annotation	Hynapene A
Peak:m/z	Relative Intensity
51.02366	1.6
53.03946	4.9
55.01621	2.2
55.01874	37.3
55.05261	3.3
55.05511	46.4
57.03175	2.6
57.03438	30.4
57.07074	3.9
59.04988	2.4
62.31288	1.5
62.35918	1.5
65.03934	4.8
67.05507	90.8
69.03433	5.7
69.07067	25.6
69.70619	6.2
71.01349	3.6
71.04990	7.6
73.06149	1.5
77.03919	4.6
79.05496	79.8
80.06268	4.2
81.03422	18.1
81.07057	87.9
82.04203	2.2
83.04974	36.5
83.05441	2.9
83.08624	13.1
84.02122	1.8
85.06571	7.2
91.05482	79.0
92.05797	1.9
93.07043	61.3
94.04203	3.6
95.04971	92.5
95.08607	43.1
96.05263	1.8
96.05798	2.1
97.02901	8.6
97.06492	7.5
97.10172	12.1
98.07313	8.5
99.04405	2.5
103.05453	5.6
105.04510	4.9
105.07035	56.9
106.07336	1.8
107.04958	100.0
107.08595	29.5
107.86536	1.5
108.05729	5.4
109.02874	1.8
109.06525	55.8
109.10158	32.4
110.07355	2.2
111.04448	9.4
111.08085	4.0
112.05240	8.0
113.05991	4.1
115.05443	6.1
117.07021	38.6
119.04933	7.0
119.08589	36.6
120.05709	4.6
121.06515	23.7
121.10144	14.9
122.07289	32.7
123.04408	10.8
123.08072	13.7
123.11685	4.9
125.05995	4.6
125.09624	9.6
128.06229	9.4
129.06990	15.9
130.07762	1.6
131.04872	2.0
131.08556	30.2
133.06487	25.8
133.10107	15.2
135.04350	1.8
135.08064	20.2
135.11661	9.2
136.08861	3.3
137.05963	2.4
137.09618	52.6
138.10150	2.1
141.07010	4.7
142.07680	1.6
143.08575	13.4
145.06494	18.6
145.10109	19.0
146.07170	1.7
147.08047	36.3
147.11736	8.1
148.08823	2.7
149.09648	7.5
149.13260	1.8
151.07549	5.4
151.11201	2.9
153.09056	2.4
155.08556	5.9
157.10059	7.1
159.08022	7.5
159.11676	10.2
161.09621	25.6
161.13255	4.4
162.10373	5.3
163.11189	14.4
165.09154	8.8
169.10106	6.2
171.11679	9.5
173.09592	2.7
173.13271	9.8
175.11182	7.6
177.12787	3.5
179.14366	2.4
185.13312	1.7
187.11203	2.5
187.14821	11.4
189.11192	6.4
189.12759	6.7
191.14279	1.9
197.13274	5.5
203.14368	4.6
205.15863	13.5
215.14340	11.8
216.14925	3.2
217.15999	3.1
218.13104	2.5
233.15358	78.4
234.15776	5.1
243.13818	2.0
251.16447	23.5
261.14941	4.6
261.18124	2.5
262.19315	3.1
273.18512	10.0
290.18762	20.9
291.19516	7.7
307.18997	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2009
Annotation	Hynapene A
Peak:m/z	Relative Intensity
52.28927	1.2
53.03940	3.7
55.01878	10.0
55.05510	15.2
56.05855	1.2
57.03435	7.7
64.16970	1.1
66.59729	1.0
67.05502	36.8
69.03423	4.0
69.06760	1.4
69.07072	17.3
71.04987	9.1
77.03936	1.8
79.05490	23.5
81.03415	7.1
81.07053	28.9
82.09325	1.0
83.04978	13.8
83.08632	5.9
85.02880	1.6
85.06545	6.4
91.05476	25.3
93.07044	21.3
95.04961	14.7
95.08609	15.9
97.06528	100.0
97.10176	3.2
98.06818	1.3
99.04465	2.3
99.08093	2.5
105.04515	2.1
105.07033	22.2
107.04942	6.0
107.08591	16.2
108.19724	1.0
109.06525	13.8
109.10163	26.5
111.04431	3.4
111.08079	9.8
113.06010	8.2
115.07539	2.6
117.07018	5.2
119.04976	1.7
119.08590	10.4
120.08890	1.3
121.06511	6.1
121.10134	3.2
123.04401	1.5
123.08067	5.3
123.11705	3.3
125.05906	1.9
125.09609	4.2
126.09921	2.0
127.07536	1.7
128.06221	1.3
129.06990	2.6
131.08556	7.2
133.06497	2.8
133.10126	31.1
134.10497	1.3
135.08054	5.2
135.11676	3.3
137.05968	2.5
137.09608	3.0
143.08603	2.3
145.06488	2.1
145.10107	4.1
147.08037	3.4
147.11739	3.0
149.09615	3.5
149.13235	1.4
151.07568	2.8
151.11177	16.2
152.11642	1.2
157.10107	2.3
159.08093	3.1
159.11655	3.3
161.09633	4.4
161.13303	1.3
163.07498	2.7
163.11197	2.0
165.09131	2.5
169.10088	1.6
169.12245	4.7
173.09613	2.8
173.13257	1.4
175.11211	2.4
177.09135	2.6
177.12862	2.4
179.10701	3.2
183.10144	3.6
187.11166	1.3
189.11205	2.4
189.12769	2.5
190.11591	2.1
193.12282	3.2
195.13858	1.3
205.12186	1.9
205.15749	1.2
207.13783	1.6
211.13252	1.6
215.12646	1.2
219.13837	1.5
221.11732	5.2
223.13385	2.0
225.12918	1.1
225.16432	2.0
233.15382	4.1
235.13240	1.8
243.17459	3.0
261.18442	7.8
262.19025	1.4
263.16437	2.0
271.16867	7.0
272.17191	2.4
279.19522	2.1
289.17953	32.8
290.18320	4.5
299.42587	1.3
307.18964	19.0
325.16959	1.3
325.20044	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89480	3.1
53.03940	4.2
55.01869	11.5
55.05256	3.9
55.05510	49.2
57.03433	28.1
57.07051	2.8
58.69814	2.4
59.04991	4.4
65.03923	3.9
67.05504	67.3
67.48989	2.3
68.00606	2.2
69.03424	10.6
69.07068	34.1
70.15031	2.3
71.04984	26.1
73.06543	3.0
77.03905	2.9
79.05492	57.3
80.05818	2.4
81.03410	6.1
81.07052	59.2
83.04984	9.1
83.08611	17.9
85.02905	2.9
85.06531	4.8
87.04463	3.2
89.70271	2.5
91.05476	51.7
93.07042	48.5
95.04963	24.6
95.08600	33.1
97.06534	43.2
97.10173	32.9
99.08055	3.0
103.05448	3.9
105.04528	2.7
105.07027	53.9
107.04971	16.1
107.08597	44.7
109.06513	20.2
109.10152	27.4
111.04479	3.1
111.08077	9.1
113.09627	3.2
115.07587	8.2
117.07019	16.4
119.04904	2.7
119.08574	51.3
121.06491	16.3
121.10126	18.8
123.04413	3.1
123.08064	15.1
125.05971	6.8
125.09624	25.7
127.07613	3.7
129.06998	4.0
131.08560	27.3
133.06468	3.1
133.10118	34.4
135.08043	22.7
135.11688	10.4
137.05963	2.3
137.09593	17.9
139.11163	4.8
143.08521	5.6
145.06494	4.5
145.10136	24.9
147.08043	7.1
147.11659	19.2
149.09613	18.0
151.11176	4.9
157.10146	8.4
159.08054	48.8
159.11642	15.7
161.09590	4.7
161.13318	5.4
163.03906	6.4
163.07516	8.9
163.11188	9.4
169.10143	4.7
171.11668	5.3
173.09612	3.9
173.13234	5.2
175.11206	6.8
177.09111	5.5
177.12759	7.0
179.14342	2.8
181.12328	2.7
185.09590	6.6
187.11113	2.7
189.11209	13.2
189.12709	5.7
191.10640	2.6
191.14240	2.9
197.13330	5.5
201.12744	2.7
215.14362	5.3
219.13750	3.2
227.16508	3.8
229.19542	5.0
233.15401	15.3
237.14766	5.5
239.18021	5.8
243.17435	2.4
247.20592	4.8
249.18523	5.0
253.15932	12.7
257.18930	12.3
261.18353	6.1
271.16928	23.7
275.20062	100.0
276.20389	7.3
289.18008	68.4
289.21185	4.1
290.18402	4.8
293.21027	3.4
307.19006	46.0
307.22687	44.6
308.19409	2.9
325.20041	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	325.2373
Annotation	(-)-Pironetin
Peak:m/z	Relative Intensity
53.03938	2.6
55.01862	4.3
55.05508	15.4
57.03437	2.5
57.07063	4.0
59.04996	2.4
59.48339	1.4
62.06086	2.0
63.55844	1.5
67.05502	30.8
69.03391	2.0
69.07062	14.0
71.04994	6.6
71.08628	3.6
73.06542	3.8
73.29706	1.6
76.37772	1.7
79.05490	19.0
81.03406	3.9
81.07046	29.9
83.04969	7.1
83.08612	6.4
85.02889	2.2
85.06540	4.2
91.05474	17.6
93.07047	29.9
95.04946	9.1
95.08601	26.1
97.06519	8.0
97.10135	4.0
98.97582	2.0
99.08079	3.0
105.07030	18.3
107.04944	5.5
107.08576	16.7
109.06500	10.4
109.10165	9.8
110.03566	1.5
111.04443	5.2
111.08085	5.6
113.06010	6.6
116.98608	1.7
117.07021	6.9
119.08574	10.0
121.06506	5.2
121.10133	10.3
123.08058	6.9
123.11678	3.8
125.05981	10.9
125.09621	3.5
126.04332	1.7
131.08543	9.4
133.10110	13.5
135.08043	3.8
135.11687	10.1
137.09618	4.1
138.79399	1.7
139.07550	2.4
145.10144	6.9
147.11714	5.9
149.09595	2.0
149.13264	4.8
151.11192	4.2
153.12770	2.4
159.11681	6.5
161.13268	3.7
163.11203	6.5
165.12767	4.0
167.14293	5.9
169.40279	1.9
170.20026	1.6
173.13306	3.2
175.11192	1.9
177.12711	4.1
179.14287	2.3
181.12213	3.6
183.13838	1.7
191.14296	2.6
195.13708	2.5
198.85089	1.5
201.13080	1.7
207.13849	2.1
221.15497	2.2
229.19562	2.4
235.26289	1.9
237.14845	15.4
247.20642	6.2
257.18912	3.3
261.22153	4.2
275.20053	19.0
276.20355	3.1
279.00604	1.7
279.23096	12.7
289.21533	4.1
293.20993	2.7
307.22641	100.0
308.22992	6.9
325.17584	2.0
325.23676	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2374
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
51.40234	1.9
53.03946	4.0
55.01865	16.5
55.05292	2.6
55.05514	29.1
57.03428	8.6
57.07064	3.9
58.43786	2.5
62.06081	6.6
63.80807	1.9
65.03926	2.6
67.05165	3.7
67.05508	57.6
68.05836	3.8
69.03417	9.9
69.07073	32.5
69.37588	3.8
69.37978	5.8
71.04987	9.0
79.05496	40.1
80.26389	2.3
81.03412	5.2
81.07053	100.0
82.07376	4.3
83.04972	10.1
83.08618	19.0
85.02899	3.9
85.06517	7.0
91.05481	34.0
92.05801	3.3
93.07040	37.5
95.04964	18.7
95.08608	42.2
96.08954	2.1
96.24963	2.2
97.06528	27.2
97.10157	5.1
98.09702	3.6
98.97571	6.4
99.00777	2.5
99.08076	5.9
102.03015	2.0
105.04479	2.5
105.07027	47.1
107.04954	8.2
107.08588	31.1
109.06525	16.6
109.10153	21.2
111.04526	2.0
111.08090	8.9
116.98633	3.3
117.07021	11.0
119.08576	33.9
121.06481	5.2
121.10152	23.7
123.08072	12.8
123.11720	9.7
125.09637	6.0
129.06999	5.9
131.08595	15.9
133.10124	30.3
135.08041	6.8
135.11684	14.4
137.09621	9.2
139.11177	5.3
143.08553	4.0
145.10104	14.3
147.11674	29.2
149.09631	12.1
149.13228	4.5
151.11180	9.0
153.12830	2.7
157.10107	7.4
159.08064	2.5
159.11667	14.2
161.09631	3.0
161.13275	4.3
163.11179	11.8
165.12776	11.7
171.11674	3.5
173.11839	2.2
173.13268	7.6
175.11159	5.6
177.12733	4.2
181.12202	4.4
183.11691	4.2
193.12172	3.1
197.13307	3.4
201.16403	3.0
227.18153	3.2
235.16936	5.7
239.18054	6.2
245.19032	2.9
247.20450	4.3
257.18967	10.7
263.20102	26.1
265.22025	2.3
275.20050	60.1
276.20395	7.3
289.21597	9.7
293.21063	11.4
293.24130	2.3
295.22549	5.3
307.22586	21.4
325.13510	2.3
325.23459	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.01877	8.3
55.05510	27.8
57.03433	9.2
57.07074	5.7
64.15126	2.9
67.05158	4.8
67.05502	57.2
68.05832	3.5
69.03425	30.4
69.07066	32.1
69.95805	9.0
71.04985	7.6
71.46082	3.2
72.67981	2.9
79.05491	40.9
81.07054	100.0
83.04977	9.6
83.08614	18.2
85.02883	3.9
89.48295	3.0
91.05478	45.4
93.07043	43.3
95.04966	16.9
95.08612	47.6
96.08971	3.9
97.06525	25.2
97.10174	9.6
99.08133	4.4
105.07029	41.9
107.04951	5.0
107.08586	34.5
109.06518	17.0
109.10153	23.8
117.07014	9.4
119.08582	35.5
121.06525	4.0
121.10139	24.6
123.08057	10.2
123.11678	9.3
125.09627	10.1
129.06958	3.8
131.08560	14.8
133.10135	37.8
135.08054	8.5
135.11696	13.4
137.09584	9.2
137.13240	3.6
139.11198	4.7
143.08528	3.2
145.10130	14.4
147.11670	25.2
149.09592	10.4
149.13290	6.6
151.11198	10.3
157.10011	3.6
159.11699	8.0
161.13364	7.6
163.11145	8.1
165.12743	11.2
171.11630	6.7
173.11726	5.9
173.13173	4.1
175.14804	3.7
177.12756	5.1
177.80931	3.5
185.13202	4.5
195.13741	4.3
202.11237	3.3
235.16853	17.2
237.34059	3.3
239.17993	6.4
247.20496	5.6
257.18988	8.6
263.20169	16.7
265.21619	3.4
275.20065	68.8
289.21680	4.0
293.21274	9.0
295.22647	4.9
307.22369	19.1
325.17456	4.4
325.27185	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	325.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.3
55.01870	18.0
55.05513	66.7
56.33646	2.6
57.03441	16.3
57.07076	22.1
61.38351	2.8
62.42093	2.7
65.84811	2.7
67.05502	100.0
69.03432	6.3
69.07065	50.9
69.67838	7.4
71.04985	7.3
71.08624	13.8
79.05490	53.0
81.03407	9.3
81.06567	5.0
81.07053	96.7
83.04978	19.0
83.08624	46.8
85.02897	3.7
85.06553	17.4
85.10172	6.2
91.05479	56.0
93.07043	60.8
95.04967	23.5
95.08599	62.2
97.06532	11.5
97.10160	24.2
98.23420	3.7
99.08123	6.8
105.07021	48.0
107.04975	18.0
107.08591	49.5
109.06509	14.8
109.10157	52.2
110.10508	3.1
111.04455	7.0
111.08075	9.8
111.11677	5.8
113.09618	7.9
117.07015	15.3
119.08567	22.9
121.06499	11.9
121.10132	29.4
123.08049	11.8
123.11708	20.8
124.44199	2.9
125.09627	28.3
127.11222	3.4
131.08583	22.1
133.06543	6.2
133.10132	73.7
135.08044	10.4
135.11679	22.0
137.09604	19.5
141.09064	5.3
143.70947	3.5
145.10120	20.6
147.11681	14.0
148.62584	3.3
149.09595	14.6
149.13246	6.4
151.11188	49.3
153.12767	4.7
157.10114	5.6
159.07953	5.0
159.11624	15.5
159.59570	3.0
161.13335	3.6
163.11159	19.4
165.09088	4.1
165.12753	4.6
167.10669	4.2
169.10141	4.7
169.12248	3.5
171.11682	5.6
173.09720	5.3
173.13304	4.1
175.11108	3.4
177.12727	11.4
179.10649	8.8
181.12173	7.5
183.13789	11.5
187.11182	4.4
190.44771	3.0
191.10689	4.2
191.14427	3.7
195.13785	6.5
229.19531	8.4
247.20570	12.4
257.18973	12.3
265.21545	12.7
275.20047	69.7
276.20163	3.4
289.21524	3.7
293.17953	6.5
293.21100	81.0
293.24402	4.8
299.18021	3.5
307.22733	28.4
308.23032	4.6
325.23843	8.8
325.27353	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26999	0.4
57.03441	4.0
59.63581	0.4
71.01344	1.5
71.87287	0.4
73.32631	0.4
85.02905	55.5
86.03235	0.6
91.05486	2.0
93.77943	0.5
94.06570	0.5
94.92747	0.3
95.01318	0.6
98.98469	20.9
103.03957	0.7
110.66094	0.4
113.02367	1.9
117.05780	1.2
118.06533	6.8
131.03384	2.6
132.08093	0.6
134.09639	1.3
136.07530	1.9
138.95267	0.4
146.06006	16.6
147.06427	0.4
152.70140	0.4
163.03839	0.4
163.52406	0.4
164.07056	9.1
174.99176	2.9
178.08626	38.1
179.09006	1.1
189.79086	0.4
196.09691	47.8
197.10023	1.8
218.99022	0.4
257.52667	0.4
258.57785	0.4
308.11151	1.0
314.71970	0.4
326.12341	100.0
327.12610	5.3
341.19415	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29925	0.3
53.48397	0.4
53.67705	0.3
57.03434	3.7
59.21491	0.3
59.54831	0.3
70.70647	0.6
71.01358	1.1
85.02903	50.7
86.03227	0.9
90.86177	0.3
91.05490	1.5
92.68140	0.4
94.06554	0.4
97.87746	0.4
98.98465	18.5
103.03931	0.5
113.02386	1.9
115.95857	0.4
117.05782	0.8
118.06539	4.0
120.08167	0.5
131.03395	2.6
132.08075	0.9
134.09641	1.7
136.07579	1.6
146.06009	17.5
147.06363	0.7
158.26526	0.3
164.04227	0.7
164.07057	8.5
174.99232	2.5
178.08629	36.8
179.08983	2.0
196.09683	44.6
197.10088	2.0
222.11305	0.7
251.00175	0.5
308.11194	0.7
326.12332	100.0
327.12738	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	326.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
53.85695	2.0
55.01877	16.0
55.05505	17.2
57.03434	5.4
65.03943	3.2
67.05502	55.5
69.03416	3.3
69.07063	21.7
69.75600	6.6
71.04997	9.7
78.47552	2.1
79.05490	23.9
81.03453	2.4
81.07054	62.1
83.04985	17.5
83.08617	4.2
85.06537	7.3
91.05479	45.2
92.05840	2.3
93.07040	26.3
95.04971	7.8
95.08614	18.5
97.06539	6.7
98.98461	69.5
98.99101	4.5
99.04459	3.7
99.08091	2.2
105.07029	49.0
107.04962	4.5
107.08597	44.3
107.09266	4.1
107.78648	2.1
109.06516	7.3
109.09417	5.2
109.10152	91.7
110.10478	2.9
113.06025	6.1
117.07054	3.2
119.08575	6.0
121.06495	4.7
121.10153	3.6
123.08062	4.4
123.11690	12.5
127.07607	5.8
131.08580	10.1
133.10126	100.0
134.10423	5.0
135.08092	4.8
137.06023	4.4
137.09645	2.7
143.08621	3.6
145.10149	4.7
147.07996	3.7
147.11682	3.6
149.09634	3.9
151.11174	69.6
159.11737	2.4
161.09616	5.9
169.12239	25.0
174.99225	7.7
179.10648	4.8
185.13264	3.1
187.11096	2.2
215.12804	6.2
245.19040	2.7
263.20193	6.3
273.18427	13.7
277.17978	3.2
291.19504	20.9
309.20593	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2164
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
50.54202	0.9
55.05513	1.7
63.59515	0.8
67.05491	2.0
68.84931	0.8
69.07049	1.8
81.07050	7.3
82.15458	0.8
83.04960	1.2
83.08624	1.0
93.07068	1.1
95.08588	2.0
97.78235	0.9
98.98465	100.0
107.08604	1.1
109.06496	2.8
111.04438	3.3
116.99518	1.1
121.10081	1.2
125.06017	1.2
135.07997	1.4
137.05971	24.7
138.06267	1.0
174.99229	13.6
197.24231	1.0
203.17950	1.4
231.17369	2.1
249.18491	2.9
250.99983	3.3
277.17978	23.7
278.60419	1.4
285.07748	0.9
292.19833	2.2
295.19028	2.4
297.61313	0.9
327.62320	2.0
328.32181	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2166
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
52.94112	0.8
53.03951	1.3
55.01863	3.6
55.05257	1.2
55.05511	16.7
57.03436	2.0
67.05206	0.9
67.05509	10.6
69.03416	2.5
69.07062	7.4
69.13700	4.5
71.04993	1.2
79.05491	10.3
81.03419	4.5
81.07054	22.7
83.04978	4.1
83.08617	11.9
91.05466	3.9
93.07053	7.8
95.04987	4.1
95.08602	6.4
97.06519	3.3
97.10175	17.9
98.10497	0.9
98.98466	100.0
99.04451	1.0
99.08065	3.8
105.07027	4.1
107.04961	2.0
107.08591	8.4
109.06507	3.1
109.10166	4.6
111.04438	3.7
111.08092	2.4
116.99503	1.5
117.07016	2.2
119.08598	4.4
121.06490	1.8
121.10148	2.2
123.08063	11.2
125.09628	17.2
129.06950	1.3
131.08537	2.1
133.10132	2.1
135.08031	2.3
135.11664	2.3
137.09636	3.1
137.77971	0.8
139.11227	2.0
140.07898	0.8
143.08562	1.3
143.10657	1.6
145.10094	2.9
147.08072	3.1
147.11650	1.4
149.09592	1.4
149.13245	1.0
153.09067	1.3
153.12726	1.4
157.10187	1.2
159.11671	1.1
163.11218	5.8
165.09077	3.0
167.08739	0.8
171.10138	2.1
174.99229	13.5
175.11156	1.3
181.12250	2.3
189.11226	21.6
191.10686	2.1
193.12282	3.6
193.17299	0.8
209.11777	1.1
211.13339	2.1
223.13406	0.9
227.12785	2.2
227.17706	0.9
237.14833	1.1
247.16617	1.0
251.00064	3.3
255.17545	0.9
273.18503	8.3
291.19537	36.7
292.19965	1.5
300.35025	1.0
309.20557	15.6
310.21219	1.1
327.15887	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.5
53.97888	0.4
55.01866	1.0
55.05509	3.6
57.03438	0.6
57.07079	2.4
59.04977	0.4
65.03933	0.5
65.46555	0.3
67.05210	0.4
67.05510	5.6
69.03421	1.3
69.06705	0.7
69.07066	9.9
71.04993	1.2
71.08619	1.5
71.45312	0.4
73.89948	0.4
79.05492	3.3
81.03406	1.1
81.07056	19.4
83.04960	0.5
83.08624	4.0
85.02930	0.6
85.06554	2.5
85.10194	0.3
91.05510	2.2
93.07047	6.2
95.04964	1.9
95.08605	14.4
96.08933	0.3
97.06521	1.8
97.10181	1.4
98.98466	100.0
99.08080	3.4
103.05477	0.6
105.07025	3.4
107.04949	1.1
107.08594	6.2
109.02898	0.4
109.06455	0.5
109.10162	7.7
111.04436	0.4
111.08073	3.6
111.11710	1.2
115.05435	0.6
116.99525	1.4
117.07001	0.4
119.04933	0.5
119.08580	3.0
121.06541	0.4
121.10142	4.8
123.04440	1.0
123.11698	5.9
125.09626	0.6
125.13236	0.6
129.06929	0.6
131.04976	0.5
131.08545	0.5
133.06496	0.6
133.10124	1.9
135.04457	0.4
135.08072	0.4
135.11694	2.9
137.05983	3.2
137.09619	1.1
137.13263	4.4
139.11186	0.5
145.06494	0.9
145.10132	0.9
147.11662	2.9
149.13232	2.9
151.03931	1.8
151.14828	0.5
153.12761	1.5
155.14336	1.1
159.11705	0.5
161.13289	1.1
163.03929	1.4
163.07552	0.5
163.14828	1.7
164.04271	0.5
165.04439	1.0
165.06989	0.5
165.09171	0.5
165.12711	2.1
171.11745	0.4
171.13820	0.5
174.99222	15.0
175.07545	0.4
175.14833	1.2
177.16408	1.1
179.08522	0.8
183.13800	0.4
187.14816	0.7
189.16315	0.5
191.14426	0.3
191.17892	0.6
194.07228	0.3
197.06125	0.4
203.18105	0.4
205.06599	0.3
206.07304	0.5
207.08023	0.9
211.07582	0.4
217.06499	0.4
217.19514	0.8
219.17355	0.7
223.07718	0.4
224.08324	0.4
225.05492	0.5
230.50995	0.3
234.06728	0.8
235.07498	1.2
239.10719	0.5
249.09081	1.2
251.00076	2.4
253.08687	0.4
264.07800	0.4
266.09302	0.4
267.10181	0.6
273.18420	0.7
273.25836	0.5
277.08707	1.5
279.26938	0.5
283.09634	0.5
291.19583	1.2
291.26871	2.1
295.09628	2.0
296.10001	0.5
299.12793	1.2
309.11411	0.5
309.20630	0.6
309.27872	1.2
327.12250	4.2
327.18234	1.7
327.21552	0.5
328.12244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30122	0.5
55.01857	1.0
55.05507	3.9
56.12623	0.4
57.03432	1.1
57.07067	2.7
65.03934	0.5
67.05498	7.1
69.03413	0.7
69.07064	12.6
69.45844	1.7
71.04985	1.4
71.07267	0.6
71.08621	1.4
77.01575	0.5
79.05489	4.0
80.97433	0.5
81.03416	1.9
81.07052	21.0
82.07420	0.4
83.04975	0.8
83.08604	4.1
85.06542	3.5
91.05469	2.8
93.07037	6.9
95.04981	1.5
95.08599	16.8
96.08943	0.5
97.06537	2.1
97.10162	1.6
98.23473	0.9
98.98460	100.0
99.08096	2.8
105.07029	3.9
107.04948	0.7
107.08584	7.0
109.06512	1.7
109.10146	8.1
110.22974	0.5
111.08054	3.8
111.11713	1.6
113.05978	0.4
113.09588	0.5
116.99493	1.7
117.07022	0.6
119.08568	3.1
121.06435	0.5
121.10146	4.5
122.03683	0.6
123.08087	1.0
123.11708	6.3
125.09595	1.1
131.04912	1.0
131.08559	1.0
133.06520	0.6
133.10120	0.9
135.04329	0.5
135.11682	2.9
137.05974	6.6
137.09625	0.5
137.13216	3.7
139.11134	0.7
147.04344	0.6
147.11713	2.0
149.13220	2.9
151.14833	0.6
153.12730	1.7
155.14352	1.4
161.05928	0.7
161.13229	1.1
163.03845	0.7
163.07533	1.3
163.14825	1.5
165.04434	0.5
165.12741	1.6
174.99214	12.4
177.16446	1.0
191.03384	0.6
203.18011	0.7
207.08003	0.5
209.04451	0.7
232.29842	0.4
234.06798	0.6
235.07674	0.7
249.09216	1.1
250.99934	2.6
267.09167	1.3
273.18646	0.9
273.25610	0.7
277.08548	1.5
279.26630	0.7
283.09750	0.6
285.09985	0.6
291.19489	1.6
291.26837	2.1
295.09711	1.3
309.11093	0.6
309.27957	1.4
327.12210	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	328.1214
Annotation	Loxapine
Peak:m/z	Relative Intensity
52.41940	0.3
53.03935	1.0
54.87600	0.4
57.03440	2.0
58.99595	2.8
61.01153	27.1
70.06567	0.5
72.00359	0.6
74.99086	2.2
75.02708	3.2
77.00639	2.5
79.05529	0.4
81.03428	0.4
82.58760	0.4
85.01126	2.0
85.02908	8.1
87.02692	42.6
88.03014	0.5
89.04252	1.6
91.02161	1.2
91.05460	0.6
98.98469	40.4
105.00094	3.5
105.03741	4.4
115.02133	0.6
133.03189	100.0
134.03523	1.3
137.05969	0.6
146.05997	1.3
151.35237	0.4
164.07130	0.5
167.94286	0.4
174.99216	4.0
175.97829	0.5
175.99495	0.5
176.98959	1.7
178.08644	2.7
196.09691	11.8
197.10039	0.5
288.22070	0.4
328.12119	66.8
329.12439	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	328.1543
Annotation	3-Acetylmorphine
Peak:m/z	Relative Intensity
60.62995	0.4
70.33115	1.2
71.19984	0.5
79.05491	16.4
80.92913	0.5
90.62288	0.6
91.60727	0.5
93.07030	1.5
95.04935	0.7
98.98467	9.0
103.05467	50.3
104.05795	1.7
105.07032	2.9
107.04951	29.3
108.05283	0.6
108.33492	0.5
110.06016	0.5
111.54399	0.4
112.54695	0.5
120.08103	70.9
121.06497	1.6
121.08437	1.1
131.04926	25.1
133.08919	0.6
148.07654	0.7
149.06000	2.7
149.85687	0.5
174.99240	0.9
177.07957	0.6
234.37398	0.5
262.13699	0.5
268.13315	100.0
269.13632	5.4
296.12875	1.3
328.15421	73.5
329.15814	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	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.01865	2.6
55.05509	18.4
57.03429	2.7
57.07066	1.1
59.04992	1.8
65.03931	0.9
65.60700	0.6
67.05502	47.8
68.05814	0.7
69.03427	1.6
69.07068	17.4
70.06603	0.6
71.04981	2.4
73.06557	0.5
75.82293	0.6
79.05046	1.3
79.05490	20.4
80.05832	0.6
81.03415	2.4
81.07054	46.3
82.07380	1.1
83.04992	4.2
83.08618	12.6
85.06541	2.4
88.47612	0.6
91.05480	14.5
93.07042	22.1
95.04957	4.1
95.08603	20.8
97.06532	6.1
97.10161	10.5
98.98464	100.0
99.08089	2.7
99.98888	0.6
100.98920	0.9
105.07023	14.6
107.04930	3.2
107.08592	22.3
108.08958	0.8
109.06493	3.5
109.10152	27.8
111.08090	4.2
116.99487	1.7
117.07024	4.5
119.08578	11.6
120.08928	0.7
121.06505	2.3
121.10130	8.8
123.08064	2.3
123.11713	3.7
125.09629	9.4
129.07033	0.6
130.07716	0.6
131.08571	7.9
133.10123	11.4
134.10426	0.7
135.08044	2.4
135.11697	6.3
137.05948	0.8
137.09608	3.4
137.13260	0.9
138.06377	0.6
139.11186	1.9
141.06941	0.6
143.08563	1.7
143.10625	0.6
145.10130	5.0
147.11684	6.6
149.09613	5.5
149.13246	8.9
151.09969	1.2
151.11166	1.0
153.09071	0.7
155.10666	8.3
157.10121	1.4
159.11682	9.1
161.09694	0.8
161.13234	2.2
163.11183	3.3
165.09209	0.7
165.12802	0.7
169.10165	1.2
171.10269	1.3
171.11662	1.5
173.11740	38.8
173.13171	2.4
174.99196	8.6
175.00566	0.8
175.11200	1.4
176.98933	3.9
177.12737	4.4
179.14299	1.5
181.12259	0.9
183.11670	1.3
187.11209	1.0
189.11220	13.3
189.12811	1.3
190.14484	1.0
191.14339	1.0
193.12276	1.1
195.13786	18.7
197.13274	0.9
201.12685	0.7
203.12706	0.7
207.13673	0.6
213.14789	6.8
223.13277	1.0
225.14903	0.6
229.19547	2.3
239.17986	2.7
247.20543	1.4
252.99745	1.6
257.19034	5.9
265.21640	1.4
266.79132	0.6
275.20050	45.6
276.20367	3.0
278.08960	0.7
292.22787	0.9
293.21091	11.5
310.23648	1.1
319.06198	0.6
328.12296	0.9
328.24942	6.4
329.25247	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.3
55.05515	33.9
57.03442	7.4
58.89501	3.0
59.05015	4.1
65.03928	4.4
67.05505	100.0
67.48454	2.9
69.03425	8.2
69.07072	28.9
69.67556	11.6
71.04991	12.0
77.03918	5.4
78.36162	2.7
79.05495	71.3
80.55237	4.4
81.03410	9.7
81.07059	59.7
83.04982	11.1
83.08632	20.8
91.05476	50.7
93.06463	4.2
93.07044	79.3
95.04972	29.2
95.08614	35.7
97.06526	8.1
97.10154	12.3
98.98461	13.7
105.07040	38.6
107.08591	43.3
109.06511	4.8
109.10164	51.4
111.08087	4.1
114.01672	3.1
117.07022	11.0
119.08585	36.0
121.10132	39.1
123.08040	3.3
123.11738	6.1
125.09621	13.2
129.07082	3.1
131.08540	13.4
133.10126	25.4
135.08070	4.6
135.11664	9.1
137.09605	23.6
139.11125	5.8
140.19554	3.3
145.10089	14.8
147.11707	13.2
149.09563	9.3
151.11235	3.3
153.09137	3.9
155.07465	3.2
155.10619	9.1
159.11644	10.2
172.13277	4.6
173.11798	24.5
173.13138	5.6
189.11139	8.5
193.12199	6.7
201.16487	3.4
211.13339	7.4
223.13145	3.7
235.16972	6.8
239.17972	4.1
275.20059	35.1
292.22772	4.1
329.16815	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	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01871	5.6
55.05294	1.0
55.05512	10.3
57.03436	1.5
57.07064	2.6
65.03930	1.1
67.05160	1.3
67.05503	21.8
68.05798	1.0
69.03438	1.3
69.07074	8.4
69.64957	2.2
71.04980	2.9
71.08618	1.1
74.05070	0.7
79.05482	10.0
81.03423	2.5
81.07052	23.7
83.04989	5.3
83.08621	4.7
85.06543	3.0
91.05486	12.9
93.07044	10.9
95.04964	7.2
95.08608	13.3
97.06518	2.0
97.10175	2.5
98.98466	100.0
99.04458	1.8
99.08077	1.5
104.99269	0.9
105.07024	14.4
105.65225	0.8
107.04947	1.8
107.08586	11.5
109.06510	2.9
109.10158	21.5
111.04455	1.6
111.08067	1.8
113.05972	0.8
113.09689	0.9
116.99477	2.4
117.07030	2.2
119.08575	6.6
121.06496	1.6
121.10141	5.3
123.08089	3.4
123.11712	4.4
125.09617	2.6
129.07004	1.7
131.08566	4.3
133.06535	1.0
133.10120	25.6
135.08011	1.7
135.11699	2.9
135.63145	0.7
137.09654	5.4
137.13240	1.5
140.01131	1.7
142.94510	0.8
145.10085	4.3
147.08133	1.0
147.11681	2.4
149.09598	2.8
151.11169	16.8
157.10190	1.3
159.11624	1.1
163.11130	4.3
165.09138	2.4
169.12244	4.7
170.98241	0.8
173.09636	0.9
173.13177	1.5
174.99208	9.2
175.11124	0.7
175.99542	0.7
176.98979	3.4
177.12711	1.6
179.10689	1.7
181.12135	1.2
189.11281	1.1
191.10802	1.1
191.14262	1.5
193.12283	1.2
195.13739	1.5
209.11702	1.6
215.12724	1.7
229.19563	1.6
239.18021	1.2
247.20586	2.2
251.19951	0.8
252.99760	2.3
257.19009	3.1
265.21783	1.2
275.20044	17.8
276.20306	0.9
293.21130	13.7
328.32150	4.2
329.17133	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	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	6.0
55.05259	3.5
55.05510	53.9
67.05502	16.9
69.03413	8.5
69.07058	18.1
69.87885	7.3
79.05499	34.3
81.07067	16.1
83.04968	5.1
83.08619	45.3
85.48600	2.3
91.05455	10.0
93.07030	9.1
95.08588	7.9
97.10165	90.9
98.98472	6.0
105.06986	16.0
107.04965	2.5
107.08589	100.0
109.10152	3.0
113.77733	2.4
119.08575	8.9
121.10094	3.1
125.09627	77.1
126.09952	3.6
131.08578	4.1
133.10110	12.5
135.08041	8.5
143.10657	4.1
145.10083	4.5
147.11656	6.4
153.09052	5.7
159.11722	2.9
165.71620	2.3
171.10179	20.8
171.11575	4.3
181.12213	2.9
189.11217	96.4
190.11572	4.3
190.84489	2.3
239.17917	3.1
255.85837	2.5
257.18976	7.0
274.96289	2.4
275.20038	68.4
276.20401	4.1
293.21033	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	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42560	2.2
53.03946	4.0
55.01870	8.5
55.05256	4.4
55.05513	65.9
57.03436	7.7
57.07086	2.3
59.04995	2.6
65.03925	4.2
65.93826	2.1
67.05505	95.4
67.05872	4.6
68.05856	2.3
69.03436	7.0
69.07073	37.6
70.15698	6.5
71.04993	9.7
77.03931	3.3
77.96488	2.3
79.05496	100.0
80.05843	2.5
81.03413	9.2
81.07060	59.0
83.04977	9.1
83.08621	30.7
85.06544	5.4
91.05478	54.1
93.07048	82.1
95.04970	22.9
95.08609	50.4
96.74098	2.0
96.77270	2.0
97.06515	8.9
97.10162	46.7
97.10744	3.6
98.98471	85.2
105.04516	2.9
105.07027	39.3
106.07312	2.3
107.04944	5.4
107.08598	70.8
107.09340	3.6
109.06515	9.4
109.10156	47.4
111.08086	7.4
117.07033	7.9
119.08595	29.1
119.39649	2.4
121.10152	43.2
123.08022	3.3
123.11721	3.6
125.09631	40.8
129.07031	2.9
131.08554	12.0
133.10135	29.3
135.08055	7.4
135.11745	4.4
137.09647	19.1
139.11200	3.7
143.08636	3.9
143.10719	3.7
145.10120	12.0
147.11708	14.4
149.09619	7.2
153.09178	3.0
155.10657	15.1
157.10196	3.9
159.11726	13.3
161.09650	2.3
161.13271	12.5
163.11165	4.0
166.65289	2.1
170.11873	2.2
171.10173	7.6
171.11662	2.7
172.13258	3.5
173.11739	28.6
173.13217	5.3
174.99226	7.1
175.11212	2.7
179.14207	4.3
187.11150	3.4
189.11237	51.1
189.12840	4.2
193.12279	5.5
206.41211	2.2
209.15451	3.6
223.13319	2.9
229.19481	2.6
239.18040	3.8
257.19009	5.4
275.20071	58.3
276.20486	3.9
292.22702	2.8
293.21140	8.3
329.17200	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	329.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14912	0.6
55.01890	1.3
55.05515	4.3
57.03433	0.9
57.07080	1.7
57.98796	1.1
58.99587	39.7
59.05000	2.1
65.03938	0.9
67.05512	1.5
69.03429	88.2
69.07073	7.0
70.03761	1.1
70.96503	1.2
73.01153	3.7
75.02691	1.2
75.99961	0.7
77.00684	0.8
79.05491	2.5
81.07067	2.2
83.04982	4.1
83.08631	0.9
85.01134	2.4
86.99055	58.2
87.04468	23.5
89.04259	3.2
91.05489	1.4
93.07050	2.3
94.43030	0.7
95.04968	0.9
95.08609	3.3
97.06536	0.8
97.10196	1.5
98.98468	96.9
99.02682	7.8
99.04462	1.0
101.00606	0.9
103.02126	0.9
103.05457	3.7
104.05823	2.5
105.00090	100.0
105.07016	1.7
107.04958	3.3
107.08596	1.8
109.02853	0.9
109.10161	2.3
111.11708	1.7
113.00558	1.1
116.99472	2.0
117.02928	1.2
117.03720	17.2
119.01645	1.6
119.08640	1.0
120.08091	4.8
121.06495	1.3
121.08446	3.7
121.10129	6.7
123.04400	1.2
123.08101	0.9
125.09631	1.1
131.04945	1.9
132.05238	1.2
135.11697	1.4
137.05997	1.3
139.11179	59.0
140.11505	1.0
145.03189	19.2
145.10109	0.7
147.11653	1.1
149.01566	1.3
149.02682	15.9
151.07501	0.9
163.04239	39.6
164.35529	0.8
165.09077	2.6
166.14188	0.8
171.37921	0.7
174.99225	8.6
176.98868	3.2
177.16351	1.9
183.04692	2.1
189.15851	0.7
191.02048	0.9
191.03734	19.0
195.17390	2.1
207.13789	6.5
227.06905	0.9
239.11028	4.0
244.00795	0.7
250.99875	1.3
252.99664	1.5
268.13361	1.5
269.13651	10.7
273.07761	0.8
283.09610	1.0
283.13419	3.9
329.14343	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	329.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
55.05516	2.8
57.03443	0.9
57.07074	0.6
57.98818	0.9
58.99588	37.4
59.04999	1.9
59.94615	0.6
61.01152	1.2
62.71659	0.4
65.03925	0.6
69.03432	88.9
69.07082	1.6
69.24694	1.4
69.25095	1.6
70.03766	0.9
73.01142	3.1
75.02702	1.1
78.70021	0.6
81.07056	1.0
83.04978	3.1
85.01120	2.1
86.99055	54.8
87.04472	26.0
87.05016	1.2
87.99415	0.6
89.04271	2.8
93.07038	1.2
95.08604	1.9
97.02947	0.7
98.98470	24.4
99.02686	9.1
103.02161	1.4
105.00092	100.0
105.07021	0.7
106.00462	0.7
106.69878	0.5
107.08608	0.6
109.02850	0.7
109.10145	1.7
115.03902	1.3
117.03716	17.3
119.01629	2.5
121.10155	5.7
123.08126	0.6
124.72018	0.6
133.05026	0.8
134.89252	0.6
137.05980	1.1
139.11180	53.1
140.11499	1.3
145.02031	1.1
145.03186	23.1
149.01564	1.1
149.02687	13.6
151.07603	1.0
151.98438	0.5
163.04247	36.8
165.09163	3.3
167.10614	0.7
174.99265	2.5
176.98953	0.7
183.04761	0.9
183.10173	0.9
189.12784	0.7
191.03738	17.1
200.36668	0.6
207.13817	6.6
239.11015	2.7
283.13486	2.0
287.43359	0.6
329.14032	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	329.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10835	0.4
54.74619	0.4
55.05504	1.1
57.07084	0.6
67.05502	1.5
69.07066	0.7
70.06593	0.6
71.08616	0.5
79.05505	0.6
81.07035	1.2
83.08599	0.5
91.58321	0.5
93.07038	1.2
95.08612	1.3
96.75841	0.4
98.98470	100.0
103.35743	0.4
104.07777	0.4
104.99268	2.6
105.07043	0.6
106.08691	0.5
107.08565	0.9
109.10191	0.7
112.71410	0.4
116.99509	2.4
119.08586	1.0
121.10098	0.6
135.08020	0.4
139.01489	0.5
140.01077	1.1
173.13454	0.5
174.99234	9.0
176.98900	3.5
214.28223	0.4
234.13266	0.5
247.00446	1.9
250.99908	1.2
252.99748	1.8
311.20602	0.4
328.32144	1.6
329.17496	5.0
329.20950	0.9
329.24829	1.2
329.32523	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01864	0.6
56.96574	1.7
57.03436	4.9
58.49869	0.3
58.95566	0.3
59.04998	0.7
61.02929	2.8
64.38808	0.3
68.50753	0.3
69.03068	0.5
69.03434	8.7
71.01335	1.4
71.04987	1.6
73.02921	1.9
75.04475	1.0
77.22512	0.3
79.05510	0.4
81.03412	1.3
85.02895	2.8
86.07253	0.4
86.09691	0.3
87.04458	1.3
91.05475	2.6
97.02907	1.5
98.98468	85.3
99.04446	2.7
100.98859	1.8
107.04945	3.4
109.02879	1.4
115.03912	1.1
116.98689	0.7
116.99506	2.0
117.05661	0.4
118.06519	2.2
120.08112	0.5
127.03915	1.5
132.57137	0.4
133.04956	1.9
133.06505	0.3
134.09642	0.5
136.07582	1.3
140.09248	0.3
145.04932	0.5
146.06004	12.9
146.07167	0.6
150.05484	0.6
150.44527	0.3
151.05986	0.4
163.03934	0.5
164.07069	5.3
165.00639	0.3
172.94350	1.0
174.99226	5.1
175.99580	1.1
176.98907	6.0
177.99275	0.7
178.08630	28.4
179.08961	1.5
181.07210	0.7
187.06053	0.8
190.95477	0.9
196.09691	46.6
197.10095	1.8
198.56938	0.3
205.07111	1.2
216.96854	0.4
223.04343	0.5
242.14038	0.4
244.96367	0.4
252.99713	1.1
254.00082	0.4
259.08167	0.5
264.95547	0.5
273.09399	0.6
274.97281	0.7
301.98004	0.5
306.96432	0.8
312.14447	0.7
330.12402	7.8
330.15512	100.0
331.07867	7.8
331.13644	8.1
331.16422	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	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.2
55.05511	46.6
59.04982	1.7
64.16034	1.4
67.05508	21.2
69.03433	4.9
69.07059	7.6
69.88973	3.8
71.08621	8.1
77.59504	1.2
79.05495	14.3
81.03391	2.0
81.07058	13.5
83.04989	2.6
83.08617	32.8
85.06546	2.2
91.01374	1.1
91.05491	2.6
93.07034	7.7
95.04940	1.2
95.08604	4.2
97.10168	68.5
98.98477	2.4
99.08107	9.2
105.07051	4.3
107.08591	22.8
109.10152	5.0
111.08083	2.5
117.07003	1.6
119.08585	2.6
121.10116	2.0
125.09626	59.8
126.12788	2.0
127.14668	1.0
133.10130	2.7
135.08067	6.3
135.11726	3.6
143.10672	4.0
145.10127	1.8
147.11748	2.0
151.11191	7.2
153.09125	3.6
161.13252	3.2
163.11171	1.7
171.10173	22.2
173.13248	1.4
179.14311	4.1
189.11214	100.0
190.11679	1.4
193.15843	1.5
241.19565	1.6
248.44849	1.3
259.20605	3.5
277.21631	58.5
278.21872	2.9
295.22668	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	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14940	4.5
55.01864	11.5
55.05510	49.7
57.03432	16.4
57.07072	15.9
67.05500	79.7
69.03434	10.5
69.07063	36.9
69.12241	4.6
69.45517	4.7
69.69556	13.5
71.05006	4.1
71.08619	15.1
73.06544	3.9
77.42955	3.5
79.05492	66.1
81.07057	100.0
83.04987	24.9
83.08617	27.9
85.06551	8.7
87.04482	6.1
91.05486	40.0
93.07043	81.9
95.04967	10.0
95.08601	59.1
97.06529	18.5
97.10170	14.6
98.23451	4.6
98.98466	64.8
99.08101	14.2
100.11256	5.8
101.06009	5.0
105.07054	22.2
107.08583	37.6
109.06510	6.8
109.10152	17.5
109.11785	4.6
111.08112	10.1
113.05980	4.2
117.07057	7.5
119.08586	21.1
121.10135	25.6
121.26308	4.1
123.08053	5.0
123.11746	7.1
125.09619	7.8
131.08606	9.2
133.10103	22.5
135.11705	24.2
137.09567	4.9
139.11186	43.0
145.10124	4.8
147.11713	11.8
149.13249	38.8
151.11183	7.9
153.12724	6.2
157.10165	6.4
159.11711	28.9
161.13258	11.6
165.12811	5.8
175.14877	5.6
177.12761	15.1
179.14273	8.7
189.11198	13.0
193.12318	7.1
195.13795	67.2
196.13968	4.5
203.60999	4.7
226.67526	4.2
231.21036	4.6
241.19513	6.8
249.22121	6.0
249.53186	3.9
277.21667	66.7
278.21988	4.8
295.22696	37.2
328.62064	5.3
330.17542	36.0
330.29974	14.4
330.33649	20.6
331.18799	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	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	54.1
55.97257	7.7
56.02851	7.3
56.34179	7.9
57.03443	15.4
57.07056	19.2
65.47153	8.0
67.05505	91.3
69.07071	58.2
69.95518	14.9
70.07007	6.9
71.08635	17.2
79.05482	46.6
80.47073	6.5
81.07059	100.0
83.04977	29.7
83.08611	18.8
91.05479	51.0
93.07038	76.2
95.04990	9.4
95.08604	58.0
97.06532	22.7
97.10139	10.6
98.22745	13.9
98.98476	16.3
99.08083	12.5
100.11235	9.1
105.07036	35.1
107.08617	42.5
109.06519	10.7
109.10185	13.3
111.08066	9.9
117.07042	9.8
119.08593	26.6
121.10159	22.9
123.11756	11.5
125.09682	15.1
131.08578	17.8
133.10136	29.1
135.07988	9.7
135.11684	38.1
139.11183	49.9
145.10112	13.0
147.11679	15.2
149.13286	32.5
151.11217	16.1
159.11693	17.6
161.13242	16.2
177.12839	14.1
189.11250	9.8
191.21605	8.7
195.13832	60.6
277.21622	82.0
295.22665	40.3
331.18845	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	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01854	9.1
55.05257	3.8
55.05511	47.6
57.03428	11.6
57.07069	11.3
67.05157	5.2
67.05505	74.6
69.03421	7.9
69.07072	32.1
69.46876	5.5
69.47261	6.6
71.04986	7.9
71.08621	10.9
79.05040	3.9
79.05495	55.1
81.03420	4.5
81.07059	100.0
83.04985	25.7
83.08618	27.2
85.06534	7.0
87.04448	7.1
88.07613	3.4
91.05474	28.3
91.09354	3.6
93.07043	74.9
95.04956	11.5
95.08610	53.5
97.06531	27.4
97.10156	15.7
98.23415	6.0
98.98479	57.2
99.08080	15.6
100.11231	6.1
101.06013	3.7
105.07018	30.5
107.08603	29.7
109.06490	6.3
109.10159	13.4
111.08056	7.3
117.07008	12.3
119.08601	17.3
121.10152	21.0
123.08065	5.8
123.11676	5.1
125.09602	12.1
125.74157	2.9
127.07491	3.2
129.07053	3.4
131.08545	12.8
133.10123	28.0
135.07999	4.1
135.11690	29.6
137.09604	3.2
139.11174	42.1
145.10110	3.6
147.11668	11.3
149.09583	3.2
149.13258	27.3
151.11208	7.3
157.10081	5.8
159.11693	16.7
161.13283	8.0
163.11110	3.9
171.11620	3.0
173.13184	4.5
175.11192	4.4
175.14862	3.9
176.98921	3.7
177.12726	10.4
177.14178	2.9
178.27893	4.1
189.11177	11.1
193.12233	9.2
195.12056	5.9
195.13791	68.0
213.14931	3.3
233.16267	2.9
241.19357	2.9
249.22192	4.8
259.20633	7.2
270.27884	3.0
277.21631	50.8
278.21909	3.5
295.22696	32.6
330.17545	30.4
330.29898	10.0
330.33780	9.9
331.18723	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.7
55.05511	34.9
56.96558	11.8
57.03427	12.0
57.07067	8.4
67.05504	76.1
69.03442	4.5
69.07066	28.1
69.95408	8.1
71.08629	12.0
75.97029	2.8
79.05489	38.0
79.80102	3.9
81.03426	7.5
81.06623	5.6
81.07056	66.3
82.63327	3.2
83.04975	13.4
83.08622	20.1
85.06510	4.2
87.04467	6.2
88.07622	5.5
91.05482	26.4
93.07033	53.4
95.04968	7.5
95.08604	34.3
97.06499	8.4
97.10149	8.3
98.98465	100.0
99.08090	12.3
100.11252	4.7
104.85807	3.2
105.07035	19.9
107.08614	30.2
109.06508	4.0
109.10156	31.5
111.08076	7.1
119.08572	17.3
121.10129	16.8
123.11718	6.9
125.09618	6.6
131.08606	12.0
133.10115	19.7
135.11673	15.4
137.09598	4.6
139.11208	22.6
145.10130	5.5
147.11694	9.5
149.13258	36.8
151.11223	4.3
155.10660	9.0
159.11705	12.6
161.13232	7.4
165.12752	6.0
171.11694	4.1
173.11739	33.4
174.99216	5.8
175.11191	4.4
175.14798	3.6
176.98952	7.6
177.12755	10.9
179.14243	4.9
189.11197	6.3
193.12149	4.9
195.13785	47.7
211.13281	4.2
212.16464	3.4
213.14783	5.8
267.78568	3.1
277.21634	32.1
286.06570	3.3
289.14890	9.8
295.22559	18.9
307.15848	30.0
325.16904	6.5
330.17761	6.0
330.30066	7.4
330.33609	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1289
Annotation	Miraxanthin-III
Peak:m/z	Relative Intensity
53.03946	0.7
55.01879	3.8
56.75181	0.5
57.03419	0.6
60.42714	0.5
62.90298	0.5
67.05497	0.7
69.03435	1.6
69.07065	1.6
69.79572	1.8
70.07396	0.6
71.04984	1.2
79.05511	0.9
81.07033	2.9
82.31480	0.9
85.02917	1.5
87.04475	1.2
91.05484	0.9
91.91286	0.7
93.07045	1.3
94.06552	2.9
95.04981	0.9
95.08611	1.2
97.02895	0.8
98.22730	0.7
98.98463	28.2
100.98908	0.8
105.07062	0.7
106.06570	2.2
107.08549	0.6
108.04478	4.5
108.08136	0.7
109.10126	0.8
110.06064	0.9
120.08144	0.7
121.06475	0.6
122.06030	4.4
123.11704	2.0
129.07014	0.8
131.08646	0.6
133.05072	0.8
134.06010	2.0
136.03958	3.2
137.05998	3.6
138.38983	0.6
140.07111	0.7
146.05978	0.6
148.07562	1.6
150.05498	0.9
151.07524	2.9
151.11166	1.0
152.07161	0.5
156.08067	0.9
158.09656	1.4
159.09250	1.1
160.07561	0.9
161.07132	1.8
162.05481	10.4
163.06195	0.9
164.07074	2.4
168.06572	1.7
168.08005	1.0
169.07518	0.6
170.08382	1.0
170.09698	1.7
172.11293	0.9
173.10773	2.0
174.99228	1.0
176.07065	2.1
176.98936	2.7
183.09187	1.2
184.07663	1.1
184.11215	1.4
186.07867	2.5
187.08653	2.6
187.12318	1.7
189.06581	10.5
194.08081	1.4
196.09917	0.8
197.08484	1.0
197.10698	1.1
198.09158	2.3
199.08704	1.6
200.09399	2.6
200.10974	1.0
201.10213	7.5
202.10791	0.7
203.08128	3.4
203.11739	0.6
211.08807	1.5
211.12338	0.9
212.10794	1.3
213.10263	2.7
214.07294	1.9
214.10741	1.0
215.08168	16.0
215.11664	6.7
216.08493	0.7
225.10272	1.9
226.08792	1.3
226.10902	1.3
227.08243	1.6
228.08990	2.2
229.06142	0.8
229.09697	16.5
229.13193	3.2
230.10103	1.2
231.11345	1.5
239.08273	0.8
239.11844	3.7
240.10236	2.0
241.09677	1.8
241.13467	0.7
242.10468	1.7
243.07652	4.4
243.11302	8.2
247.14322	1.3
252.09030	1.3
252.99661	1.0
253.09572	1.9
254.08025	0.9
254.10446	1.9
255.11330	0.8
257.09213	13.4
257.12860	9.8
259.10721	1.3
267.11261	6.5
268.09659	1.4
269.09048	0.8
271.10809	8.3
275.11111	0.8
275.13889	4.8
285.12332	15.3
286.84561	0.7
287.12604	0.7
289.51416	0.6
295.10837	5.3
303.13443	3.4
313.11780	19.5
314.12021	1.0
331.12854	100.0
332.13168	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	331.154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.0
65.03930	2.2
67.05489	1.3
69.03429	2.5
69.22437	5.6
73.67941	1.1
77.34113	0.9
79.05481	3.7
81.03396	1.2
81.07058	6.9
81.64997	0.9
83.05009	1.3
85.02917	1.2
91.05478	31.0
93.07033	2.2
94.04201	2.9
95.04967	6.9
95.08621	1.1
98.98464	73.4
100.98907	1.4
103.05460	4.4
105.07035	4.5
107.04958	8.3
107.08550	0.9
109.06520	4.5
109.10249	1.0
111.04440	1.1
115.05465	1.8
116.99505	1.3
117.07015	1.7
119.04933	19.6
121.06500	7.5
122.03661	8.9
123.04462	1.3
123.08060	1.7
123.11690	4.4
128.06242	4.1
129.06996	12.9
131.04932	6.4
131.08565	1.6
133.06496	3.4
135.08073	5.5
136.05203	5.0
137.05975	79.5
138.06317	1.2
139.07558	1.2
143.04884	2.1
143.08549	1.3
145.06470	3.4
146.03572	1.5
147.04346	1.4
147.07924	1.2
148.05200	1.6
149.05988	12.3
151.03926	4.0
151.07541	100.0
151.11124	2.1
152.06209	4.1
152.07854	2.8
153.06953	3.5
157.06476	16.0
158.07257	1.3
161.05963	11.7
161.09669	3.1
163.07555	20.8
165.06973	12.4
165.09085	4.9
166.07817	2.5
167.07164	2.5
167.08557	17.0
168.05569	1.1
169.06476	2.7
169.12201	1.3
171.08086	1.3
174.06761	6.6
174.99281	3.3
175.07527	3.3
176.98965	7.2
177.06996	1.6
177.09119	3.8
178.07817	6.9
179.08516	2.4
181.06490	3.7
181.10164	1.6
182.07266	4.4
183.08063	2.3
184.08778	1.2
185.05969	1.2
187.07562	2.0
189.09111	32.8
189.10812	1.9
190.09581	1.8
191.08565	1.2
192.09317	2.3
193.06442	6.7
193.10109	8.0
194.07310	3.8
195.06369	2.1
195.08060	28.2
195.09895	1.5
196.08759	1.7
197.05927	6.5
197.09637	1.5
199.07568	2.4
201.06659	1.4
202.07736	1.1
203.08525	2.3
205.06491	1.8
206.07220	2.6
207.08212	2.0
207.10170	5.3
209.05925	3.1
209.09546	2.7
210.06784	9.2
211.07495	6.5
212.04721	1.1
212.08363	5.8
213.08952	1.3
219.08009	2.0
220.08774	2.8
221.06030	7.4
221.09560	12.0
223.07497	12.4
224.08267	4.2
225.05455	3.3
225.09088	12.1
227.07033	4.7
227.10655	28.8
228.07898	1.2
228.10980	1.3
231.08040	1.9
235.07491	2.2
237.05409	1.7
237.09073	4.3
238.06229	7.6
238.09779	2.5
239.07034	3.7
240.07779	4.3
241.08644	1.5
241.12234	1.8
243.10187	1.1
249.09015	5.5
252.07843	2.9
253.08588	14.8
253.12248	14.8
254.09157	2.3
255.10147	32.5
256.10709	1.7
266.09467	1.3
267.10068	5.4
269.08105	4.4
269.11655	2.0
270.08768	3.0
272.10410	3.4
281.11700	6.2
284.10565	2.0
285.11197	19.2
285.14084	0.8
287.12766	50.7
288.13129	2.7
299.09064	1.3
299.12537	1.4
301.14182	1.5
313.10965	1.9
313.14304	13.3
331.11826	16.2
331.15543	6.8
332.12283	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1541
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
51.02407	1.2
55.01880	1.8
55.05513	1.3
55.53623	1.1
57.80532	1.1
65.03959	2.2
67.05508	5.2
67.98858	1.2
69.03424	3.0
69.07039	2.0
79.05508	3.8
81.03393	1.7
81.07055	14.8
83.05010	1.2
85.02921	3.4
86.06067	2.0
86.09731	2.2
87.96707	1.1
91.05475	30.1
93.07053	2.8
94.04189	3.4
95.04957	6.8
95.08632	3.7
97.02890	2.2
98.98470	71.5
100.98911	1.8
103.05467	4.1
105.04488	1.4
105.07036	5.6
107.04945	7.7
107.08607	1.9
109.02893	1.4
109.06533	5.9
109.10160	6.2
109.93414	1.2
111.04486	1.9
115.05483	3.2
117.07040	2.5
119.04950	20.3
119.05741	1.9
121.06506	6.0
122.03635	7.9
123.04463	1.3
123.11710	8.5
124.12050	1.5
128.06282	3.8
129.07013	13.0
131.04942	7.6
131.08560	1.6
133.06436	2.4
133.10106	2.7
134.03555	1.7
135.04395	2.5
135.08064	5.3
136.05243	3.6
137.05981	78.8
138.06314	1.8
143.04962	1.6
145.06503	4.6
146.03613	2.0
148.05194	1.6
149.05975	14.9
151.03934	3.8
151.07545	100.0
151.11159	7.8
152.06218	3.8
152.07942	3.1
153.07043	2.4
157.06485	11.2
161.05972	15.8
161.09642	3.5
162.06754	1.5
163.04004	1.2
163.07538	22.7
165.07021	10.4
165.09190	5.2
166.07756	3.5
167.07164	2.1
167.08568	16.3
169.06520	2.4
169.12216	7.0
173.12833	1.3
174.06824	6.4
174.99301	2.9
175.07607	3.4
176.98982	6.7
177.07014	2.8
177.09119	1.7
178.07745	6.1
179.08556	2.0
181.06505	4.7
181.10118	1.3
182.07281	4.6
184.08910	1.3
189.09113	38.5
189.10823	2.3
193.06520	6.7
193.10072	6.7
194.07318	2.5
195.08055	27.1
196.08771	2.1
197.06009	5.6
197.09535	1.6
203.08609	3.6
204.10376	1.4
206.07298	2.5
207.08215	2.4
207.10201	8.8
209.06026	3.3
209.09666	4.0
210.06787	9.6
211.07545	4.7
212.08325	4.4
213.09180	1.4
220.08838	1.3
221.06036	7.7
221.09560	8.5
223.07541	10.6
224.08249	3.6
225.09135	9.1
226.60881	1.3
227.07008	4.0
227.10663	26.6
235.11171	1.5
237.05513	2.1
237.09082	2.9
238.06277	5.4
238.09767	1.9
239.07054	1.8
240.07753	3.7
241.08519	1.7
249.09137	6.0
252.07867	1.7
252.99818	1.4
253.08696	14.1
253.12218	16.0
254.09283	1.6
255.06461	1.5
255.07021	1.4
255.10175	31.8
256.10654	1.7
267.10150	5.1
269.08170	4.7
269.11691	2.0
270.08813	1.7
272.10431	2.8
281.11765	7.0
284.10480	1.5
285.11206	22.0
286.11630	1.7
287.12766	53.9
288.13107	4.1
298.12222	1.9
299.12872	1.8
301.14227	2.7
313.14355	14.4
331.11691	2.3
331.15613	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	331.154
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
55.01883	3.5
57.77031	1.4
62.64246	1.5
65.03953	2.2
69.03422	1.7
71.45110	2.2
77.03947	2.3
79.05492	3.9
81.07063	5.5
86.06036	1.8
88.26279	1.6
89.03937	1.6
91.05476	40.1
93.07063	3.3
94.04192	2.8
95.04944	7.9
95.08591	3.6
98.71162	1.5
98.97823	3.2
98.98469	60.2
103.05484	16.1
105.07025	10.9
107.04957	40.8
107.08601	3.5
109.06541	5.2
109.10165	2.8
115.05453	5.2
117.07087	2.2
117.40110	1.6
119.04944	19.5
121.06506	15.4
122.03655	7.4
123.11710	3.4
128.06235	4.2
129.07001	18.3
131.04930	13.5
131.08548	3.1
133.02856	5.0
133.06499	4.6
133.10136	2.3
135.04434	4.6
135.08028	12.9
136.05212	3.4
137.05984	78.7
143.04848	2.1
145.06509	4.1
146.07294	5.6
148.05188	5.0
149.05974	26.5
150.06761	5.8
151.03918	4.4
151.07549	85.4
151.11194	4.7
157.06476	14.1
161.05983	100.0
161.09616	24.7
162.06476	2.1
163.07552	54.0
165.05591	4.0
165.06984	6.9
165.09155	5.1
166.07774	3.0
167.08540	15.8
169.12283	11.8
174.06738	7.8
174.99216	1.8
175.07527	5.1
176.98933	5.3
177.09123	2.4
178.07808	5.9
179.08484	2.8
181.06526	3.9
181.08615	9.4
182.07219	2.1
189.09105	73.6
192.57176	1.7
193.06465	8.8
193.10165	4.5
194.07349	2.7
195.08063	17.0
196.08749	3.2
197.06021	5.0
197.09709	1.6
203.08711	2.2
207.08195	2.3
207.10147	53.6
209.05869	2.3
209.09549	3.5
210.06783	8.7
211.07597	6.3
212.08359	3.2
221.06036	12.5
221.09535	9.1
223.07556	9.8
224.08240	3.9
225.05424	2.3
225.09138	9.7
227.07109	2.1
227.10637	22.6
235.07726	2.4
237.05606	1.7
237.09038	3.3
238.06189	3.2
239.07245	2.0
240.07819	2.3
241.08475	2.5
241.78130	1.6
249.09091	7.4
253.08673	14.9
253.12201	15.2
255.06534	2.2
255.07448	2.6
255.10159	26.2
267.10239	5.5
269.08118	4.0
270.08685	2.0
272.10428	2.9
281.11728	6.8
285.11176	21.6
286.11438	2.5
287.12796	45.8
313.14249	15.4
316.08911	2.6
331.11758	4.3
331.15546	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	331.154
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
55.01864	2.0
65.03930	2.2
67.05489	1.3
69.03429	2.5
69.22437	5.6
73.67941	1.1
77.34113	0.9
79.05481	3.7
81.03396	1.2
81.07058	6.9
81.64997	0.9
83.05009	1.3
85.02917	1.2
91.05478	31.0
93.07033	2.2
94.04201	2.9
95.04967	6.9
95.08621	1.1
98.98464	73.4
100.98907	1.4
103.05460	4.4
105.07035	4.5
107.04958	8.3
107.08550	0.9
109.06520	4.5
109.10249	1.0
111.04440	1.1
115.05465	1.8
116.99505	1.3
117.07015	1.7
119.04933	19.6
121.06500	7.5
122.03661	8.9
123.04462	1.3
123.08060	1.7
123.11690	4.4
128.06242	4.1
129.06996	12.9
131.04932	6.4
131.08565	1.6
133.06496	3.4
135.08073	5.5
136.05203	5.0
137.05975	79.5
138.06317	1.2
139.07558	1.2
143.04884	2.1
143.08549	1.3
145.06470	3.4
146.03572	1.5
147.04346	1.4
147.07924	1.2
148.05200	1.6
149.05988	12.3
151.03926	4.0
151.07541	100.0
151.11124	2.1
152.06209	4.1
152.07854	2.8
153.06953	3.5
157.06476	16.0
158.07257	1.3
161.05963	11.7
161.09669	3.1
163.07555	20.8
165.06973	12.4
165.09085	4.9
166.07817	2.5
167.07164	2.5
167.08557	17.0
168.05569	1.1
169.06476	2.7
169.12201	1.3
171.08086	1.3
174.06761	6.6
174.99281	3.3
175.07527	3.3
176.98965	7.2
177.06996	1.6
177.09119	3.8
178.07817	6.9
179.08516	2.4
181.06490	3.7
181.10164	1.6
182.07266	4.4
183.08063	2.3
184.08778	1.2
185.05969	1.2
187.07562	2.0
189.09111	32.8
189.10812	1.9
190.09581	1.8
191.08565	1.2
192.09317	2.3
193.06442	6.7
193.10109	8.0
194.07310	3.8
195.06369	2.1
195.08060	28.2
195.09895	1.5
196.08759	1.7
197.05927	6.5
197.09637	1.5
199.07568	2.4
201.06659	1.4
202.07736	1.1
203.08525	2.3
205.06491	1.8
206.07220	2.6
207.08212	2.0
207.10170	5.3
209.05925	3.1
209.09546	2.7
210.06784	9.2
211.07495	6.5
212.04721	1.1
212.08363	5.8
213.08952	1.3
219.08009	2.0
220.08774	2.8
221.06030	7.4
221.09560	12.0
223.07497	12.4
224.08267	4.2
225.05455	3.3
225.09088	12.1
227.07033	4.7
227.10655	28.8
228.07898	1.2
228.10980	1.3
231.08040	1.9
235.07491	2.2
237.05409	1.7
237.09073	4.3
238.06229	7.6
238.09779	2.5
239.07034	3.7
240.07779	4.3
241.08644	1.5
241.12234	1.8
243.10187	1.1
249.09015	5.5
252.07843	2.9
253.08588	14.8
253.12248	14.8
254.09157	2.3
255.10147	32.5
256.10709	1.7
266.09467	1.3
267.10068	5.4
269.08105	4.4
269.11655	2.0
270.08768	3.0
272.10410	3.4
281.11700	6.2
284.10565	2.0
285.11197	19.2
285.14084	0.8
287.12766	50.7
288.13129	2.7
299.09064	1.3
299.12537	1.4
301.14182	1.5
313.10965	1.9
313.14304	13.3
331.11826	16.2
331.15543	6.8
332.12283	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.05518	1.4
57.03441	0.9
57.07059	1.5
59.04978	0.8
60.04530	2.8
63.71504	0.5
67.05496	4.8
69.03431	0.9
69.07067	30.0
70.51214	0.6
71.04980	1.3
71.43918	0.8
79.05487	2.2
81.03444	0.7
81.07056	14.5
83.04986	0.7
83.08623	1.3
85.02906	2.1
85.45522	0.6
91.05484	1.5
93.07043	1.9
95.04961	1.2
95.08601	4.5
97.02917	0.9
97.06558	0.6
98.98465	100.0
100.98866	2.1
105.07036	1.2
107.04961	0.7
107.08598	1.7
109.06493	1.3
109.10152	5.4
113.05966	0.9
116.99506	1.9
117.07015	0.6
119.08549	0.8
121.10106	0.6
123.11702	40.7
127.03867	0.6
127.07645	0.6
129.06967	0.7
133.10110	1.3
137.05972	3.4
141.07016	0.6
151.03931	1.0
151.07628	0.8
151.11176	12.0
153.06992	0.8
157.06358	0.7
159.11806	0.7
161.05992	0.6
163.03941	0.6
165.06978	1.1
169.12312	1.3
174.99278	4.2
176.98926	8.6
181.06451	0.7
183.08076	0.8
185.06007	0.9
195.02921	1.9
199.07532	0.8
204.10208	1.4
211.07582	1.3
225.09081	0.9
227.07103	0.7
252.99684	1.2
253.12225	0.8
256.07458	0.7
271.09885	0.8
274.04153	0.7
299.09244	0.8
303.11603	0.7
331.11768	11.1
331.15417	0.7
331.22519	0.7
332.11847	0.6
332.28055	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	331.188
Annotation	Carnosol
Peak:m/z	Relative Intensity
52.14577	0.3
56.06405	0.3
62.59183	0.3
67.05502	0.4
71.45622	0.3
92.77984	0.3
93.72748	0.3
98.98463	12.5
104.23934	0.3
105.03418	0.6
132.75633	0.3
149.05977	1.7
159.45975	0.3
174.99213	0.7
176.98817	0.7
330.33813	0.4
331.18768	100.0
332.15311	0.5
332.19208	6.3
349.18356	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1879
Annotation	Carnosol
Peak:m/z	Relative Intensity
57.89928	0.5
58.57502	0.5
59.60636	0.5
70.00935	0.7
70.01262	0.8
74.96508	0.4
80.21616	0.5
88.95936	0.5
98.98466	19.5
100.98861	0.8
118.72989	0.5
140.39551	0.6
141.83415	0.5
174.99217	1.4
176.98955	0.9
192.37677	0.4
313.17691	5.4
331.18787	100.0
332.19128	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	332.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01858	0.5
56.96569	0.9
57.03431	1.3
57.32660	0.4
61.02929	2.6
65.03938	1.1
67.05493	2.7
69.03429	7.7
69.88839	1.1
73.02943	1.9
79.05499	1.0
81.03410	1.8
85.02901	7.6
87.04453	0.9
92.04987	0.6
93.05780	0.5
96.08133	0.8
97.02903	3.6
98.97593	1.7
98.98443	1.1
99.04424	0.6
101.02433	0.4
106.06553	5.4
108.08118	100.0
109.02892	1.0
109.08453	2.7
110.97631	0.6
116.98589	1.0
123.06827	4.7
124.07591	16.3
127.03930	1.5
128.71106	0.4
134.06015	10.3
136.07576	13.0
137.08344	0.5
145.05020	0.5
152.07069	68.0
153.07404	1.3
154.08633	1.4
169.04404	0.4
170.08118	6.4
213.05379	0.5
219.02043	0.4
238.45723	0.4
251.07890	0.6
265.49026	0.4
314.12335	37.4
315.12781	1.8
332.13391	67.0
333.05722	1.3
333.14084	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	332.1342
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03953	0.5
56.96559	1.1
57.03437	1.2
61.02929	2.4
65.03918	0.7
67.05515	2.7
69.03426	6.2
70.31675	0.8
71.04982	0.5
72.08157	0.6
73.02908	2.4
79.05484	1.3
81.03419	1.5
81.07050	1.1
85.02903	7.4
87.04461	1.3
92.04984	0.5
93.05767	0.8
96.08118	1.0
97.02885	3.6
98.97584	1.8
98.98466	3.8
99.04439	1.0
99.56152	0.4
106.06539	4.7
107.04955	0.7
108.08115	100.0
109.02867	1.1
109.08447	2.5
116.98637	1.0
123.06805	3.2
124.07594	15.1
127.03913	1.3
134.06006	9.6
136.07578	14.4
136.08620	0.7
141.03780	0.4
145.04942	0.8
150.05499	0.6
152.07060	67.6
153.07483	1.9
154.08673	1.9
170.08122	7.4
174.97647	1.0
192.98686	0.6
213.06111	0.5
219.00217	0.5
245.06398	0.6
277.01059	0.5
287.09921	0.6
290.96906	0.4
291.02475	0.4
304.84985	0.4
305.10971	0.5
314.12332	39.4
315.12708	2.1
332.13379	66.7
333.11124	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	332.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	5.2
55.05505	16.5
59.78777	3.9
64.01440	4.4
67.05489	19.0
69.07066	85.6
70.95821	3.7
71.04993	63.1
73.06537	11.5
79.05489	61.4
80.13784	3.8
81.06573	4.8
81.07056	96.7
91.05460	26.8
93.07042	64.5
95.04978	6.9
95.08611	28.6
97.06527	24.4
98.98470	100.0
99.08085	7.4
100.98885	6.0
105.07018	12.3
107.04957	8.3
107.08591	48.1
109.06501	12.3
109.10162	5.2
115.07550	5.7
117.06973	7.0
119.08561	11.8
121.10147	61.5
123.11730	7.8
125.05966	5.4
127.07555	25.1
131.08546	12.3
133.10115	8.9
135.11670	4.9
137.06024	4.9
143.07021	36.5
145.08611	35.5
145.10060	11.0
149.09645	12.2
153.12737	47.4
159.11702	4.5
161.08109	17.3
161.09750	4.4
167.06989	6.2
176.98930	11.6
201.16382	8.2
208.09827	4.1
229.15840	6.1
247.16895	32.7
332.11963	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	332.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59329	2.9
53.03943	4.6
55.01867	3.4
55.05509	13.2
56.75386	2.8
65.72551	3.4
67.05506	28.4
69.07067	67.5
70.76217	4.9
71.04990	86.3
73.06548	10.1
79.05494	65.8
81.03439	5.2
81.07056	100.0
83.04967	3.6
83.08561	3.4
85.06544	4.6
87.08109	4.1
91.05480	17.0
93.07045	70.5
95.04997	6.0
95.08589	22.6
97.06519	21.4
98.98466	46.9
99.08094	8.9
102.12128	3.2
105.07025	18.3
107.04984	6.5
107.08595	52.3
109.06510	5.5
113.09641	3.9
115.07564	5.6
117.07078	6.2
119.08553	8.4
121.09290	5.3
121.10142	70.9
123.11729	9.3
125.06010	9.2
127.07556	43.4
131.08580	15.5
133.10130	11.4
135.08124	6.5
137.06007	6.6
143.07045	32.5
145.08583	35.9
145.10172	15.0
149.09601	20.0
151.11157	5.2
153.12735	47.3
159.11696	6.9
161.08142	15.6
161.09572	4.7
163.11234	4.2
167.07074	4.8
167.10632	10.2
171.30692	3.1
199.13275	25.2
201.16333	5.7
211.14786	4.0
229.15883	10.0
246.83287	3.3
247.16899	40.6
248.17259	3.0
265.18021	6.0
276.69382	3.1
278.72336	3.8
279.19595	6.0
332.11627	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	333.1543
Annotation	Strictoside
Peak:m/z	Relative Intensity
55.05505	6.3
60.54921	4.6
67.05496	19.6
69.45351	3.3
70.85859	6.5
76.15020	3.7
79.05500	28.8
81.07029	27.4
83.04974	16.4
85.02902	5.4
91.05468	19.0
93.07047	64.0
95.04937	12.3
95.08595	12.4
95.15610	3.8
98.98448	10.7
107.08599	42.0
108.08955	4.4
109.06538	10.3
111.04419	8.7
111.08089	14.6
117.06991	4.9
123.08053	8.1
125.09647	5.2
127.07574	4.7
129.05484	94.3
135.08006	9.4
136.04747	3.6
141.09084	4.4
153.09117	54.6
171.03133	3.7
171.10146	77.5
191.41368	3.7
248.66638	3.5
276.80273	3.8
333.11356	7.2
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	333.174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53894	1.0
56.96566	48.4
58.06607	5.5
67.05492	1.4
71.42901	1.1
71.95256	3.0
72.96040	2.1
74.97633	1.1
79.05489	1.6
81.07055	2.7
84.96025	1.6
91.05479	16.3
93.07013	1.1
97.96812	3.4
98.98482	6.0
105.00137	1.9
110.97540	7.8
115.97814	2.0
119.01710	1.4
119.08542	1.5
120.54723	0.8
123.01194	1.8
128.98602	7.6
129.02251	1.7
133.10133	1.0
137.02731	3.9
141.02243	2.2
143.00133	1.1
145.01816	1.0
146.99652	3.8
147.03285	2.4
151.04303	1.7
155.03783	2.3
161.01180	1.2
161.04846	1.9
165.05902	1.2
169.05385	2.3
173.04750	1.4
181.05403	1.9
185.04837	1.9
187.06445	1.4
189.04411	1.4
191.07610	1.0
197.08347	0.9
199.06355	1.3
201.07930	1.1
203.05963	1.2
213.08000	2.6
214.91937	1.0
217.07399	1.1
221.08525	1.7
227.09483	2.3
231.08914	2.6
237.08066	1.1
239.09520	4.7
240.26846	2.8
241.11041	2.7
241.27095	1.7
245.10678	1.4
249.07867	1.0
251.09486	1.0
253.11111	1.3
257.10501	2.7
259.12161	1.5
261.11661	2.7
263.13190	1.3
267.12595	2.6
269.10568	3.2
270.24228	1.3
271.12173	1.3
273.07541	2.0
275.13132	3.5
277.11166	1.4
279.12613	11.5
281.14291	4.9
291.08969	1.6
291.12683	5.9
293.14249	12.2
297.13724	14.0
302.14120	1.4
303.16321	1.1
305.17780	1.0
309.13748	2.4
311.15366	1.5
315.15634	3.8
315.19427	2.9
316.15845	2.3
321.17365	2.1
331.15628	1.3
332.33752	11.7
333.09683	2.6
333.17255	100.0
333.20380	10.1
333.33493	5.7
334.17719	5.3
351.18417	44.7
351.30759	1.1
352.18695	3.5
356.19034	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97243	0.4
56.96309	2.0
56.96566	31.6
58.06662	0.4
62.66613	0.4
67.05553	1.4
68.33443	0.5
69.70526	1.4
71.95322	1.5
72.96076	1.0
79.05544	0.6
81.07111	1.1
84.96082	1.1
85.64500	0.4
88.07677	0.8
91.05533	0.9
93.07116	0.8
95.08649	1.0
97.96796	7.0
98.97652	1.8
98.98547	1.5
105.00217	1.5
105.07067	0.9
110.96840	0.7
110.97572	18.1
111.98468	0.5
115.97832	3.8
116.98660	0.7
119.01785	0.7
119.08601	0.5
123.01260	1.5
124.99179	0.6
128.98604	18.9
129.07051	0.4
129.99413	0.5
130.87021	0.4
131.00119	0.9
132.52647	0.5
133.98949	0.9
137.02838	1.8
143.00241	1.7
146.99657	8.4
147.00668	0.6
148.00581	0.5
151.00685	0.6
151.04350	0.9
152.00259	0.8
153.02267	0.7
155.03880	0.9
157.01785	0.7
160.83382	0.5
161.01248	2.1
161.02649	0.5
161.98283	0.5
165.00764	0.7
165.12785	0.7
167.03761	0.6
169.01758	1.1
169.05371	0.7
171.03259	2.4
172.04137	1.1
174.99013	0.7
175.02864	1.4
176.03636	0.9
177.05954	0.7
181.05458	0.6
183.03223	0.7
185.04942	1.7
187.04239	0.6
189.00591	0.5
189.02618	0.4
189.04417	1.9
190.05196	1.9
191.03804	0.6
194.04939	0.5
195.06929	0.6
199.06421	1.1
203.05931	1.4
203.07651	0.7
204.06740	1.0
205.07346	0.5
207.07124	0.6
208.06235	0.8
213.07907	0.5
221.04794	0.7
225.08018	1.0
227.09625	1.4
239.09596	0.6
241.11217	1.5
243.09109	0.7
245.10710	1.1
252.10379	0.9
259.12302	1.0
263.09552	5.2
264.10269	1.2
265.11121	1.3
270.11612	0.5
277.11130	1.7
281.10712	0.8
283.12222	0.7
285.11679	0.7
285.15030	0.5
289.11169	1.4
303.12738	3.0
313.14835	1.4
315.16284	70.2
316.16614	3.6
321.13654	0.7
331.15811	3.2
332.31540	1.4
333.17303	100.0
334.17639	5.9
351.18414	16.2
352.18665	1.2
356.18954	16.3
357.19119	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.9
55.05501	5.2
57.03404	2.5
57.07549	1.8
61.80014	2.0
65.03914	2.4
67.05494	5.9
67.34087	1.9
69.03428	6.7
69.07059	7.9
70.60291	2.2
70.60656	4.1
77.03896	2.2
79.05498	21.2
81.03398	3.1
81.07056	14.6
85.02905	25.0
91.05483	21.7
93.07040	82.2
94.07362	2.1
95.04961	8.5
95.08615	19.7
97.02896	2.8
97.06511	8.3
98.98471	22.7
102.82124	2.2
105.04522	5.0
105.06998	10.4
107.08587	100.0
108.08919	3.7
109.02868	3.6
109.06495	2.9
109.10120	7.3
119.08568	3.9
121.06485	2.3
123.11742	2.4
127.03883	4.6
128.06267	3.1
129.06976	2.5
131.04906	2.8
135.11685	70.1
137.05978	22.9
145.04892	3.0
151.09981	2.3
153.12766	12.5
159.11601	2.4
165.05426	2.1
167.07037	22.6
171.13744	2.1
176.98856	4.2
181.06419	3.4
227.76369	2.5
240.60982	2.3
255.06549	2.7
287.69199	2.3
288.09857	3.5
333.09784	5.1
333.17719	2.8
334.16483	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	333.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.0
67.05486	8.3
69.03444	7.1
69.07070	5.8
77.45061	4.9
79.05501	25.1
80.81396	5.4
81.07053	13.9
85.02906	22.4
89.30112	4.1
91.05492	20.0
93.07044	89.4
95.04963	7.4
95.08586	25.0
97.02908	7.1
97.06524	8.9
98.98470	22.6
105.07034	9.9
107.08595	100.0
135.11685	59.5
137.05994	27.4
145.04985	5.0
148.07607	7.4
153.12749	10.7
167.07060	29.6
194.71992	4.8
248.11754	4.4
333.17941	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	333.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.1
56.97961	6.8
60.32803	5.7
67.99047	6.7
69.38304	29.2
79.05531	8.5
81.07063	18.6
83.04994	6.7
83.55059	6.0
85.02921	31.5
88.85379	5.3
91.05483	25.6
93.07037	81.7
95.04977	11.7
95.08619	19.3
97.06541	8.9
97.31758	5.3
98.98461	23.2
102.83478	6.6
105.07040	10.3
107.08588	100.0
107.09252	8.2
119.08569	5.9
127.03899	10.7
135.11682	65.8
137.05968	27.5
153.12762	13.8
153.33427	7.0
167.07062	21.4
177.31142	6.1
214.68317	6.7
334.16083	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	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41717	0.6
56.64325	0.5
56.96557	5.9
57.07068	1.1
60.30254	0.6
67.05489	1.8
69.35320	3.1
71.95258	1.1
72.04525	0.7
79.05479	1.4
81.07066	2.1
84.31678	0.6
88.07619	2.4
91.05474	1.7
93.07037	2.2
95.08596	1.4
97.96814	1.0
98.98463	5.4
100.48830	0.6
110.97563	3.6
111.04482	0.7
115.97781	1.0
119.08562	1.0
122.08171	0.7
127.95699	0.6
128.98618	3.7
133.10081	0.8
143.00089	0.7
146.99626	2.4
154.29906	0.6
160.91457	0.8
165.12752	0.9
176.98856	0.9
204.06645	0.7
234.74159	0.6
263.09589	0.7
277.99500	0.8
285.29855	1.9
315.16223	13.7
315.19388	1.6
316.16757	1.2
331.15887	1.0
332.31686	1.1
333.17126	18.7
333.20343	100.0
333.31552	5.6
334.17587	0.9
334.20792	8.2
351.18320	3.7
356.19238	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	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73173	0.4
53.77677	0.3
58.51069	0.3
64.18239	0.3
64.42502	0.3
69.44800	1.2
80.27423	0.4
98.23389	0.8
153.80179	0.5
190.78482	0.4
207.65685	0.4
251.39763	0.4
263.12607	0.5
331.37573	0.4
333.20340	100.0
334.20688	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	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21886	0.4
51.26265	0.4
62.26040	0.4
69.70122	1.2
81.66812	0.4
99.78400	0.4
124.53541	0.3
132.79613	0.4
242.24855	0.4
247.99042	0.4
251.12814	0.5
279.34222	0.4
333.20340	100.0
334.20712	7.0
334.29517	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02656	0.7
62.59567	0.5
69.70291	2.0
70.04409	0.6
93.84907	0.5
94.33997	0.6
244.60783	0.6
247.13129	3.0
315.19232	5.5
333.20346	100.0
334.20685	7.8
334.29337	0.7
337.39651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62421	0.4
54.37816	0.4
69.78510	1.4
70.45356	0.5
95.30092	0.5
98.22766	0.9
117.42509	0.4
158.62204	0.5
171.67966	0.4
194.01039	0.5
195.09904	0.9
199.00279	0.4
221.53426	0.4
230.43793	0.4
333.20346	100.0
334.20767	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	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46476	0.3
59.24313	0.5
69.70159	1.4
71.99864	0.4
86.73524	0.4
98.23471	0.8
103.33338	0.4
106.75324	0.4
114.46524	0.4
117.66450	0.4
149.42346	0.4
194.71664	0.4
221.11433	0.7
235.13065	1.9
251.12563	0.6
333.20334	100.0
334.20663	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	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51960	0.5
62.66379	0.4
72.04504	1.1
82.94719	0.5
92.61318	0.5
98.23509	1.0
98.67125	0.6
98.98459	0.9
130.19728	0.4
165.12799	1.3
197.45377	0.5
228.80922	0.5
333.20343	100.0
334.20667	7.1
334.27005	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.1
57.03438	1.2
61.02924	4.0
62.34518	0.7
65.32468	0.6
65.33686	0.6
66.43939	0.5
69.03436	5.4
69.53026	1.4
69.53424	1.2
71.04987	1.1
73.02911	1.3
81.03414	2.4
84.51546	0.5
85.02910	27.9
87.04483	1.1
91.03938	1.4
91.05482	11.0
95.06079	0.8
97.02898	8.0
98.23428	0.7
99.04457	1.1
109.02866	1.5
119.04945	8.1
127.03927	4.9
137.05983	100.0
138.06303	2.2
145.04979	9.0
151.07509	0.9
155.07030	9.6
161.06029	0.7
163.06105	0.8
164.29446	0.6
165.05597	0.7
167.07068	1.0
172.09665	1.2
179.07048	2.2
180.08662	4.9
211.05066	0.6
221.08124	1.2
263.09171	1.6
281.10336	0.8
282.53021	0.6
334.15717	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1648
Annotation	Egonine
Peak:m/z	Relative Intensity
57.03423	2.3
57.07073	2.9
67.05526	7.6
67.05819	1.6
70.06593	6.9
70.58801	1.8
70.59156	1.8
71.10952	1.8
72.08104	1.7
77.03941	1.4
79.05480	7.4
81.07053	3.4
82.63702	1.4
91.05477	5.3
93.07000	2.3
94.61476	1.7
95.04953	14.4
95.08598	2.7
96.08136	5.8
98.98448	1.8
99.08044	1.8
102.09158	2.0
105.03389	3.4
105.07023	6.9
107.04980	3.7
107.07393	1.5
107.08616	2.0
109.06516	2.8
115.05391	1.8
117.06975	2.3
118.16331	1.5
119.08611	2.3
122.09685	2.8
123.04424	7.3
124.07591	15.7
130.06525	4.1
131.04921	1.7
132.10204	3.1
133.02850	3.3
134.09621	2.9
135.04362	2.2
136.07596	10.6
137.05960	5.1
138.09169	3.2
146.11774	3.5
150.09160	6.2
151.03915	6.0
151.09909	12.0
152.10712	15.1
158.06010	5.6
158.09663	2.0
160.07565	6.7
162.09131	15.1
164.10710	2.5
165.05466	100.0
170.09645	5.0
171.10423	2.5
172.07600	4.2
174.09132	9.9
176.10698	28.9
185.08290	2.1
186.09138	8.7
186.12755	5.7
187.09888	4.4
188.10666	17.2
198.09082	2.0
199.09882	2.9
200.10719	2.6
200.14453	2.0
204.10178	12.5
212.10670	2.0
214.08710	11.4
214.12250	35.6
215.12602	2.8
216.10179	6.1
216.13837	19.0
217.14098	1.9
228.13872	11.7
228.23235	2.8
232.09668	34.6
238.12254	8.2
238.82492	1.7
239.10567	2.6
246.11288	10.5
256.13309	20.3
258.14810	2.4
266.11789	5.3
272.25803	9.3
274.14352	2.1
284.12802	64.1
285.13098	3.0
288.15973	6.0
298.14291	8.6
302.13858	38.2
303.14093	1.7
316.15442	30.4
317.15994	2.0
334.12595	1.8
334.16510	30.7
334.24207	2.7
334.24841	2.9
334.29449	27.4
335.17969	6.4
335.21869	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	334.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76038	0.1
54.80547	0.1
55.05494	0.3
58.61637	0.1
69.28060	0.8
76.41396	0.2
76.64653	0.1
81.07034	0.2
90.22288	0.1
91.05451	0.2
107.07349	0.2
117.05765	0.3
118.06543	5.1
129.06984	0.2
130.06506	0.6
131.07324	1.0
132.08092	2.9
133.08862	0.6
134.09648	0.6
144.08060	0.5
145.08818	0.2
146.09650	2.2
147.10236	0.1
158.09656	0.5
159.10419	0.2
160.11217	1.4
162.09135	5.9
162.12737	0.2
163.09798	0.2
172.11227	0.2
172.51666	0.2
173.11797	0.1
174.09084	0.3
174.12770	0.5
176.10713	6.1
177.11432	1.2
178.12297	0.2
186.12810	0.2
188.14294	0.2
190.12262	3.3
191.12949	0.5
202.16031	0.2
204.13844	1.1
218.15425	0.2
244.20686	0.9
272.20078	10.5
273.20303	0.7
290.21158	2.9
291.21466	0.3
304.18991	0.2
316.22806	0.8
334.23743	100.0
335.24078	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	334.2376
Annotation	CARBETAPENTANE
Peak:m/z	Relative Intensity
57.40362	0.1
59.66991	0.1
69.07086	0.1
69.07442	0.9
81.07044	0.4
81.07513	0.1
86.24917	0.1
91.05454	0.2
95.08588	0.3
98.23522	0.3
105.99377	0.1
106.06558	1.6
107.07380	0.2
115.89460	0.1
117.05725	0.7
118.06536	3.4
120.08112	0.4
124.07585	0.2
130.06514	0.4
131.07327	1.5
131.08336	0.2
132.08092	2.1
133.08864	0.3
134.09639	0.5
144.08080	0.4
145.08870	0.2
146.09637	3.6
148.11165	0.3
150.09154	0.3
151.09892	0.6
158.09621	0.3
159.10461	0.1
160.11234	2.2
161.11920	0.2
161.85854	0.1
162.09140	6.7
162.12744	0.3
163.09818	0.3
164.10744	0.2
165.05446	0.2
169.07578	0.1
172.11206	0.6
174.12808	0.5
175.09961	0.2
176.10706	4.7
177.11528	0.7
180.20857	0.1
187.13725	0.1
188.10620	0.2
188.14281	0.2
190.12263	12.0
191.12587	0.4
202.15900	0.2
204.13831	1.9
205.14508	0.2
206.15465	0.3
214.12260	0.3
218.15338	0.5
232.09641	0.2
232.16989	0.3
244.20590	2.3
245.20923	0.2
246.18420	0.2
272.20074	11.9
273.20395	0.7
284.12756	0.5
290.17850	0.2
290.21118	1.2
302.13956	0.2
305.80380	0.2
316.22659	0.5
334.23737	100.0
335.24094	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	334.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.5
55.01862	5.5
55.05511	19.9
56.05009	1.2
57.03436	14.5
57.07062	6.5
65.03945	1.8
67.05505	65.5
69.06721	1.3
69.07067	20.3
70.02661	3.5
70.03026	2.7
71.04977	2.3
71.08641	9.4
72.04517	75.8
72.04923	3.6
73.04832	1.2
74.59709	1.2
77.03889	2.0
79.05045	2.1
79.05493	32.9
80.31691	1.3
81.07054	57.6
83.04977	2.5
83.08607	7.1
85.06528	5.5
89.83862	1.6
90.67812	1.4
91.05482	18.0
93.07050	45.2
95.04967	19.5
95.08608	50.5
97.06507	9.2
97.10169	2.3
99.08079	6.3
100.07619	1.7
105.07022	14.6
107.07903	2.4
107.08593	21.7
109.06526	19.2
109.10149	16.4
111.08070	2.0
114.09166	16.7
117.06997	4.8
119.08573	14.0
121.06466	3.5
121.10141	9.5
123.08051	2.6
123.11681	4.7
128.10733	7.9
131.08557	8.9
131.72292	1.6
133.10144	10.4
135.08051	4.1
135.11691	7.0
137.09613	2.8
142.12279	3.4
145.10120	6.8
147.11667	7.0
149.09569	2.2
149.13235	6.9
151.11052	1.8
156.13809	2.3
159.11638	3.5
161.13258	4.3
163.11192	2.6
163.14861	2.9
165.12752	100.0
166.13094	5.6
173.13255	10.2
175.11191	5.3
179.14310	2.3
180.13869	3.3
182.15424	13.7
183.11771	1.7
184.13287	1.7
184.16966	1.9
191.14240	8.1
201.12798	4.0
208.90044	1.4
212.16446	11.0
220.16982	13.8
229.19498	2.6
236.20094	44.4
237.20494	2.9
253.19382	1.6
261.22214	1.7
271.20511	6.5
289.21625	8.2
293.94122	1.6
316.26263	8.7
334.20706	5.8
334.27368	70.3
335.21860	47.3
335.25809	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	335.074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	4.2
61.63426	1.7
66.82601	1.9
70.43583	4.3
76.32011	1.8
84.96007	2.0
98.97571	18.6
110.97568	6.4
112.99153	4.4
116.98631	3.6
128.98616	3.9
143.01865	2.3
146.99681	2.0
155.01842	2.1
158.99657	3.8
173.06654	2.1
219.01773	11.9
232.99710	2.5
237.02843	9.5
274.97385	2.0
275.04388	2.2
275.09735	3.8
293.05408	7.1
335.07321	100.0
335.12997	11.0
336.07581	6.1
350.18622	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	335.0739
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
50.04981	2.6
57.37632	3.2
62.52151	2.4
90.60595	2.4
155.42262	2.7
179.90359	2.6
231.23009	2.7
335.07330	100.0
335.10242	4.1
336.03821	3.3
336.07578	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	335.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	3.6
63.26241	1.0
67.05469	0.9
69.03414	1.0
70.98109	1.7
73.06530	1.2
82.99846	2.3
84.08171	1.4
85.02920	2.0
93.07048	1.1
95.06080	1.7
97.02882	1.6
98.97572	8.1
101.00877	20.6
109.02847	1.1
110.97587	1.7
113.00845	7.9
115.02435	4.2
116.98601	3.3
119.01913	18.4
124.84995	1.1
127.02430	1.8
128.98557	2.0
129.04002	1.8
130.93547	1.1
131.01900	15.4
131.05534	9.0
133.03468	2.4
133.06493	1.0
137.00764	2.1
137.02966	1.2
137.06017	1.7
138.06339	1.6
143.01900	66.9
144.02049	4.1
145.03505	6.3
147.05013	1.9
149.01157	1.0
149.06604	6.0
154.96449	1.1
155.01898	22.2
155.05515	2.5
156.02736	2.4
157.03444	2.9
157.08597	2.0
159.05048	3.8
161.02960	60.1
162.03154	3.1
167.05452	2.7
169.07048	1.5
171.04993	1.7
172.97610	2.7
173.02983	17.9
173.05127	1.9
173.06601	27.9
173.08055	2.1
174.06671	1.2
177.00792	1.7
177.06050	3.5
185.02968	2.5
185.06589	29.2
186.06819	1.7
187.08148	5.7
190.98689	1.7
191.07700	7.4
192.29793	1.0
197.06584	2.4
199.08076	1.6
203.04045	7.6
203.07655	13.6
205.00140	2.1
209.06604	1.7
215.07597	13.7
218.98140	1.4
219.01712	2.2
221.05072	19.4
222.05261	2.1
227.07635	4.1
230.04166	1.0
232.99658	2.5
233.08681	3.8
237.02748	3.0
245.05055	2.3
251.00821	1.1
257.08664	6.9
275.00699	2.4
275.09772	40.8
276.09909	2.7
288.92758	1.5
291.15295	1.8
293.10794	100.0
294.11044	10.8
307.06943	2.5
312.07791	2.5
335.11871	65.5
336.11920	8.1
345.77197	1.0
353.07419	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.01861	1.1
65.03947	0.8
67.05516	0.5
70.06588	0.7
71.89772	0.6
80.05038	1.1
81.03442	0.6
84.08154	1.1
85.02848	0.6
91.05476	0.9
93.07042	1.3
93.34521	0.6
94.06561	1.1
94.51088	0.6
95.04974	1.0
95.08587	1.7
96.04498	1.6
97.02974	0.5
108.04475	0.9
108.08073	0.7
109.02901	0.7
109.06438	0.6
109.10144	1.1
110.06057	1.0
117.05741	0.6
120.04462	0.9
122.06036	3.9
124.03961	1.0
124.07588	0.8
126.09879	0.6
128.06212	0.8
129.07024	1.1
130.06543	1.0
131.08636	0.7
132.08110	1.0
136.03918	0.7
136.07573	4.9
143.07269	0.8
144.08072	2.0
146.05928	1.3
146.09616	0.9
148.03918	0.6
148.07559	1.0
150.05431	0.8
150.90987	0.5
151.05104	0.6
152.07080	1.2
154.06580	0.8
155.07298	0.9
155.08496	0.8
155.10645	1.1
156.08118	1.9
157.08835	1.3
158.05963	0.8
158.08453	0.8
158.09630	3.3
160.07564	2.3
161.10741	0.7
162.05496	1.1
164.07076	2.2
167.07310	0.5
168.08156	0.6
170.06041	0.8
170.09628	3.0
172.07574	7.9
172.09903	1.0
172.11240	0.9
173.07069	0.7
173.10626	3.2
174.07880	1.4
174.09167	3.4
175.08624	4.7
182.08255	1.1
183.06721	0.7
184.07585	8.4
185.08476	1.0
186.07826	1.1
186.09183	6.9
187.08678	2.0
187.12292	6.7
188.07220	0.6
188.09377	1.5
189.10219	4.2
197.10670	1.0
198.09151	11.7
199.06441	0.6
199.08575	2.7
200.07065	12.5
200.09387	4.6
200.10797	1.7
201.10199	13.8
202.08694	1.6
203.11758	0.7
210.09322	0.7
211.08685	3.5
212.07193	3.6
212.09010	0.8
213.06618	2.4
213.10254	1.7
214.07213	2.4
214.08696	2.9
214.10764	1.2
215.08257	2.8
215.11795	16.0
216.08850	2.1
216.10432	1.1
216.12170	1.2
217.09721	7.9
225.10106	3.1
226.08662	5.3
227.08128	9.0
227.11552	0.6
228.06522	3.3
228.08917	3.8
229.09714	34.9
230.08246	0.9
230.10112	2.6
231.11137	1.3
238.07816	0.6
239.08154	2.4
241.09740	2.4
242.08078	1.4
242.10500	4.1
243.07442	1.4
243.11282	37.9
244.11746	1.3
245.09212	35.9
246.09656	2.2
253.09674	7.5
254.08145	1.7
255.07886	0.9
256.08273	1.4
257.09201	12.6
258.09937	3.7
259.10791	7.6
260.09164	1.0
261.12430	1.0
269.09103	0.8
271.10764	100.0
272.11148	5.2
273.12366	3.9
275.10159	1.0
276.11124	0.9
277.11853	0.9
281.06320	1.0
281.09207	13.1
282.09775	0.6
287.10242	30.9
288.10803	3.0
289.11826	17.3
299.10254	29.8
300.10779	1.2
304.10486	0.7
305.11298	11.5
307.12753	0.9
317.11295	25.8
318.11636	0.8
335.12408	15.3
335.16006	1.2
335.19427	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46757	0.4
55.05509	0.4
56.05031	1.4
57.03426	1.2
63.07290	0.4
65.23583	0.3
67.05494	0.5
69.03433	0.9
69.18054	2.5
79.05515	0.7
81.03419	0.5
81.07069	0.7
81.71074	0.3
84.04018	0.9
84.04506	14.1
84.05009	0.8
84.08143	1.2
85.02906	27.0
86.03231	0.5
86.06063	1.9
87.04465	1.0
91.05472	1.1
93.07052	0.9
95.01321	2.5
97.02854	0.4
98.23424	0.9
102.04900	0.8
102.05545	11.8
102.06226	0.6
106.06557	1.1
109.06551	0.5
111.04469	0.5
111.08039	0.6
112.03966	2.8
113.02393	1.7
118.06543	18.4
119.06861	0.5
121.06544	0.6
130.05002	80.8
131.05338	1.4
133.06572	0.5
134.63049	0.4
137.09698	0.5
138.16522	0.4
139.07535	1.4
144.08032	0.7
146.06007	9.9
147.06494	0.5
148.07587	1.3
149.05917	0.7
155.10684	0.7
157.08623	0.9
174.05515	9.2
176.07071	1.5
178.08694	0.7
188.07039	0.5
201.80077	0.4
206.08128	100.0
207.08459	4.0
232.09756	0.6
247.09831	0.4
275.09518	0.5
287.99380	0.5
299.10251	0.6
299.88553	0.5
305.10364	0.9
317.11411	0.9
318.09686	7.5
335.12387	47.4
335.15973	3.6
336.12842	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	335.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75834	0.5
55.05492	0.9
59.57659	0.5
65.03937	2.8
67.05505	4.7
69.07065	100.0
69.22386	0.8
69.22788	2.6
70.07394	2.0
79.05492	2.3
80.05009	0.8
81.03424	0.8
81.05820	0.7
81.07053	6.3
85.40669	0.5
87.05174	0.5
91.05476	1.2
92.05013	2.8
93.05795	1.2
93.07045	2.3
94.06548	4.5
95.04984	2.2
95.08600	1.5
96.08140	1.0
97.06526	16.7
98.22688	0.9
105.07030	1.1
108.04474	0.9
108.08091	0.7
109.06518	1.6
117.06973	0.5
119.03687	1.4
120.04460	1.6
121.05255	0.9
121.06522	0.7
121.10115	0.9
122.06021	8.6
123.11719	0.8
124.07587	2.3
125.05964	1.4
129.07018	0.9
131.07314	0.9
132.08069	0.8
134.05978	0.7
137.04877	0.4
137.05928	2.4
137.13226	0.8
138.05504	5.8
140.07059	7.5
142.08640	1.1
144.08076	1.7
145.06458	0.8
145.08867	3.6
145.10068	1.3
146.05986	0.6
146.09634	4.8
147.06812	1.3
148.03922	2.9
148.04979	0.7
150.05496	77.7
151.05861	1.9
152.03383	0.9
157.08861	3.0
157.10069	0.9
158.09653	1.3
159.10423	1.1
160.07562	0.7
160.11227	1.0
161.08345	3.7
162.09109	2.2
163.05075	0.8
163.11218	0.6
164.03455	2.0
164.07024	0.8
165.04239	1.1
166.04993	30.4
167.05382	1.0
168.06593	1.2
170.05984	0.8
171.40321	0.6
172.07550	1.9
172.11215	4.0
173.08337	1.9
173.09660	0.9
174.09113	1.8
174.12761	6.9
176.03397	8.9
178.04974	2.1
185.08345	1.6
186.05470	0.9
186.07608	2.0
186.09116	1.0
188.10611	1.4
190.08546	1.0
190.12247	4.4
192.02850	0.9
194.04552	3.0
198.07692	1.1
198.09322	1.0
200.06969	1.4
200.09419	0.6
200.10750	6.3
202.12271	7.8
206.11685	0.7
213.10205	1.3
215.11745	0.8
216.10284	3.8
217.13393	0.6
218.08186	1.6
218.11751	29.0
219.12192	1.4
225.10214	1.0
226.08649	1.0
228.10208	15.3
229.10538	1.1
229.13368	1.8
234.11195	3.3
242.10481	1.4
243.11276	1.7
243.86731	0.6
244.06030	0.8
244.09714	1.6
245.12846	2.1
246.11240	25.3
247.11589	1.9
253.09711	0.6
254.08211	0.9
255.11325	1.5
256.09683	1.2
261.08801	1.6
261.12372	1.1
262.10764	0.7
269.09250	0.9
271.10745	4.0
272.09177	4.3
273.12299	3.1
274.10779	3.6
287.10303	5.8
289.11810	10.4
290.10242	1.8
291.13498	1.2
291.51349	0.5
299.10260	5.1
299.20035	0.6
317.11301	29.4
318.08972	0.8
318.11899	1.4
335.12354	28.8
336.12579	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11950	0.5
55.72367	0.5
56.18346	0.5
56.23964	0.4
56.96554	2.7
69.03384	0.5
70.06599	0.5
73.38222	0.4
79.05484	0.5
85.02908	1.2
95.06114	1.0
97.02914	0.5
98.97586	13.4
101.00896	1.8
110.03543	0.6
110.97561	3.1
112.99137	0.6
113.00884	1.0
115.02455	0.7
116.98636	4.8
119.01923	1.6
127.00668	0.8
127.03921	0.7
128.98613	1.8
131.00171	0.6
131.01926	1.8
131.05626	0.8
134.99648	1.1
137.06009	0.6
138.06316	0.7
143.00195	0.8
143.01903	5.5
144.02104	0.6
145.01723	1.8
145.03435	0.5
146.99634	1.0
149.06604	0.8
155.01962	2.9
155.03062	0.4
155.07043	0.9
157.08626	1.2
158.06622	1.2
158.99693	2.3
161.01671	0.7
161.02924	4.2
163.02762	0.7
170.99666	0.8
173.03000	1.7
173.06601	2.8
173.07930	5.4
177.00737	1.9
185.06569	5.0
187.02789	0.7
187.08200	1.5
191.07706	1.4
201.00728	0.7
203.03909	0.6
203.07614	3.0
215.07733	1.3
219.01775	7.0
221.05029	2.4
227.07724	1.0
229.04022	0.5
233.03430	1.1
237.02803	9.0
257.08652	0.6
261.03110	0.5
270.06625	0.6
270.91724	1.4
274.97733	1.0
275.04507	0.8
275.09760	5.5
288.92316	1.0
289.05920	4.2
291.15787	0.5
292.98517	0.6
293.10831	11.4
294.10962	1.1
300.07755	0.6
306.92917	0.6
307.07040	8.4
307.10269	0.7
312.07806	5.5
313.08282	0.6
324.43036	0.5
335.07413	4.2
335.13126	100.0
336.13525	5.1
353.07544	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	335.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.4
53.31890	0.9
53.65137	1.0
55.05505	4.2
57.07057	2.1
60.05517	0.9
67.05506	11.8
69.03430	4.1
69.07066	6.0
79.05496	6.1
81.03403	1.3
81.07057	100.0
82.07401	2.0
83.08624	1.2
85.02905	12.1
85.06558	3.4
91.05476	1.2
93.07035	2.1
95.08607	67.8
96.08952	1.6
97.02903	2.1
97.10159	5.9
98.22663	1.7
99.08112	1.4
105.07066	1.1
107.08590	2.3
109.02892	2.1
109.10137	2.6
111.11724	2.9
125.98883	1.2
127.03915	1.8
137.13257	64.9
138.13629	2.4
145.04990	1.4
145.10184	1.3
155.14297	25.9
173.15396	10.6
194.40115	0.9
335.13434	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.4
53.31890	0.9
53.65137	1.0
55.05505	4.2
57.07057	2.1
60.05517	0.9
67.05506	11.8
69.03430	4.1
69.07066	6.0
79.05496	6.1
81.03403	1.3
81.07057	100.0
82.07401	2.0
83.08624	1.2
85.02905	12.1
85.06558	3.4
91.05476	1.2
93.07035	2.1
95.08607	67.8
96.08952	1.6
97.02903	2.1
97.10159	5.9
98.22663	1.7
99.08112	1.4
105.07066	1.1
107.08590	2.3
109.02892	2.1
109.10137	2.6
111.11724	2.9
125.98883	1.2
127.03915	1.8
137.13257	64.9
138.13629	2.4
145.04990	1.4
145.10184	1.3
155.14297	25.9
173.15396	10.6
194.40115	0.9
335.13434	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.1
55.05510	6.2
57.03436	4.8
58.40918	1.2
67.05507	25.2
69.07059	5.8
71.42897	1.3
73.94707	1.2
79.05495	12.0
81.07056	17.8
83.08623	1.2
83.75536	1.2
85.06564	1.5
91.05489	7.1
93.07034	11.8
95.04987	2.2
95.08624	14.2
98.98441	1.4
105.07022	3.0
107.08577	6.4
109.10142	6.5
119.08604	3.2
121.10136	4.8
123.08069	1.6
128.17542	1.1
131.08580	2.7
133.10152	2.9
135.11685	2.0
142.63786	1.4
149.13275	1.2
161.13416	1.4
173.13231	2.3
238.43677	1.2
239.75034	1.3
317.21313	1.5
335.21902	100.0
335.25867	23.9
336.22119	5.6
336.25555	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70082	0.9
51.18707	1.1
55.05500	1.3
57.03424	1.8
63.69286	1.0
67.05504	4.0
69.07071	2.4
69.25994	4.9
71.08640	1.0
72.04511	1.3
79.05486	3.5
81.07067	5.5
88.07604	1.2
91.05497	2.3
93.07053	3.3
95.04973	1.4
95.08616	4.0
98.17979	0.9
98.23462	2.2
105.07040	3.0
107.08604	3.0
109.06565	1.0
119.08574	2.3
121.10170	2.7
131.08617	1.7
133.10133	1.2
135.08046	0.9
144.23012	0.9
161.13339	1.1
252.77719	0.9
288.91721	0.9
335.21915	100.0
335.25708	6.5
336.22232	3.9
347.27203	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2192
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
53.56792	0.5
59.59796	0.5
68.86870	0.5
78.95304	0.4
82.88751	0.5
206.49165	0.6
251.12381	0.5
335.21912	100.0
336.22223	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	335.2192
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
55.43213	0.4
70.51908	1.0
70.99282	0.4
87.55540	0.4
92.40612	0.4
95.42835	0.4
143.68758	0.4
225.77718	0.5
226.69159	0.5
317.20987	0.5
335.21915	100.0
336.22281	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	335.2192
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
51.23315	0.3
69.07057	0.5
69.95549	0.6
81.07050	0.5
85.17204	0.3
85.99628	0.3
86.05243	0.3
90.43998	0.3
95.08569	0.4
100.70647	0.3
119.08593	0.3
136.53201	0.3
165.12781	0.4
166.13174	0.4
221.11514	1.7
235.13029	0.3
244.49536	0.3
317.20819	0.5
335.21902	100.0
336.22211	6.2
336.25870	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.4
55.05515	2.2
57.03430	1.7
65.39794	0.4
67.05505	6.4
69.07057	1.8
70.73087	0.7
72.04516	0.7
79.05487	3.4
81.07058	6.3
83.08622	0.6
91.05477	1.8
93.07038	3.4
95.08603	5.4
97.06534	0.4
105.07042	0.8
107.08582	1.9
109.10149	1.8
111.07535	0.4
119.08570	1.0
121.10166	1.4
123.11715	0.8
131.08574	0.7
133.10152	0.6
135.11699	1.0
147.11705	0.6
159.11681	0.5
161.13283	0.5
165.29607	0.4
166.65617	0.4
179.03889	0.3
221.11424	0.6
235.12964	1.0
238.63585	0.4
335.21936	100.0
335.25739	9.1
336.22284	7.4
336.26004	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74283	1.3
55.01874	2.3
55.05516	14.8
57.03184	1.9
57.03438	23.0
57.07063	3.7
64.96420	1.1
67.05504	21.2
67.35880	1.2
69.07072	13.9
69.51859	5.6
71.04989	2.4
79.05485	15.1
81.03417	1.4
81.07056	25.2
83.04975	18.4
83.08623	6.3
85.06508	2.2
85.78410	1.2
91.05479	15.9
93.07044	20.4
95.04981	5.6
95.08599	18.9
96.08947	1.1
97.06541	2.6
97.10179	2.2
98.23477	1.9
98.98424	1.4
99.04472	2.3
101.14697	1.2
105.07020	11.7
107.04964	17.5
107.08571	13.7
108.05719	1.5
109.06517	15.3
109.10159	8.0
111.04441	10.3
111.08087	3.5
113.06052	1.5
117.07009	5.8
119.08559	10.5
121.06483	3.2
121.10132	9.2
123.08072	49.8
123.11723	3.6
125.05971	1.5
125.09669	2.4
129.06979	3.6
131.08562	7.9
133.06470	4.0
133.10123	8.1
135.08037	10.7
135.11667	5.8
137.09633	4.1
143.08530	2.1
145.06482	2.6
145.10080	5.4
147.08040	3.4
147.11691	4.3
149.09619	3.2
149.13206	3.6
157.10153	3.9
159.08078	4.9
159.11688	4.7
161.09610	3.3
161.13263	2.8
163.07576	2.0
163.11179	4.4
165.12755	6.2
169.10100	2.0
171.11662	1.8
173.09674	3.0
173.13243	2.5
175.11180	2.5
177.09146	2.1
177.12718	7.3
179.14262	1.9
187.14819	3.9
189.12747	1.8
193.16115	1.3
197.13263	1.3
199.11192	1.7
203.17780	1.2
205.15846	3.9
215.14342	3.1
225.16498	1.7
233.15341	16.1
243.17487	3.9
253.15962	1.5
261.18484	9.2
271.16931	6.6
289.17987	25.4
289.21057	2.3
293.21146	10.6
317.21262	1.4
317.24731	4.4
335.25793	100.0
336.25989	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	335.2582
Annotation	fusicocca-1,10(14)-diene-16-(hydroxymethyl)-3,8beta-diol
Peak:m/z	Relative Intensity
55.01821	1.2
55.05508	6.8
55.49335	1.1
57.03431	2.2
67.05506	7.6
68.61738	1.1
69.07062	9.3
75.94449	1.4
79.05490	5.1
81.07053	12.9
83.08609	3.7
89.92701	1.0
91.05481	4.4
93.07048	6.3
95.04955	1.6
95.08622	8.7
97.06523	4.4
97.10214	1.6
105.07027	6.6
107.04946	1.3
107.08581	6.0
109.06512	10.1
109.10160	3.4
111.08083	2.2
119.08568	4.2
121.10140	7.2
123.08070	51.0
123.11738	1.5
124.08379	1.4
131.08565	2.5
133.10133	4.4
135.08028	6.2
137.09648	2.1
143.81682	1.0
147.11671	2.4
149.09605	2.6
149.13219	1.6
159.11662	1.3
161.06374	1.1
161.13220	1.9
164.92017	1.8
165.12737	5.1
166.13068	1.5
275.20114	2.0
293.21091	12.4
303.23132	2.0
317.24768	3.6
335.25797	100.0
336.25958	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	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
52.80545	0.8
53.03931	3.3
55.01870	1.2
55.05263	1.6
55.05510	21.9
57.03435	21.2
57.07066	1.4
65.03928	3.2
66.96105	0.9
67.05503	84.1
68.05818	1.3
69.07069	17.5
71.04978	2.0
77.03922	2.4
79.05491	47.6
81.07053	66.4
82.07383	1.9
83.04959	2.0
83.08629	8.2
85.06538	1.8
91.05476	18.9
93.07042	44.8
95.04944	3.8
95.08604	53.0
96.08915	1.3
97.06498	2.1
97.10168	2.0
98.98450	2.1
105.04505	2.3
105.07022	10.4
107.08585	16.7
109.06537	1.3
109.10147	18.1
111.08065	1.8
117.07007	3.1
119.08578	8.7
121.10141	15.2
123.08076	1.8
123.11669	6.3
131.08594	6.2
133.10123	6.3
135.11687	9.6
137.13174	1.0
145.10107	3.0
147.11673	3.2
149.13248	5.3
159.11646	2.1
161.13255	3.3
173.13234	3.8
187.14749	1.1
197.50055	1.0
206.98883	1.0
207.47179	1.0
243.20946	0.9
250.86731	0.9
261.22092	4.5
335.21945	9.4
335.25751	100.0
336.22375	1.9
336.26096	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	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.39437	0.8
51.07773	0.9
52.64641	0.8
53.03943	2.3
55.01877	1.6
55.05511	27.0
56.13456	0.7
57.03437	24.2
57.07078	2.6
65.03939	4.0
67.05503	100.0
68.05828	1.5
69.03429	1.5
69.07068	23.9
69.77013	2.0
69.77367	1.6
70.07420	1.0
70.97579	0.9
71.05004	1.7
71.08644	1.4
72.04515	5.3
73.04848	0.8
77.03939	2.1
79.05491	48.5
80.05845	0.9
81.07055	72.2
82.07382	2.0
83.05005	1.9
83.08617	7.7
85.06546	1.5
91.05476	21.4
93.07045	51.0
94.07383	1.2
95.04950	6.4
95.05463	0.8
95.08603	58.6
96.05288	0.8
96.08963	1.4
97.06545	2.9
97.10195	3.4
98.23447	1.1
100.58135	0.9
102.89156	0.8
104.10311	0.8
105.04525	2.9
105.07027	13.0
107.08594	19.4
107.09258	1.7
109.06535	3.3
109.10159	24.7
110.10439	1.2
117.07010	4.7
119.08595	9.8
121.10142	17.7
123.08078	1.4
123.11703	6.5
131.08556	6.6
133.10138	6.8
135.11711	7.8
145.10121	3.8
147.11644	4.9
149.13228	4.8
159.11716	2.3
161.13292	2.6
163.14799	1.4
165.12762	3.3
166.13083	3.5
167.95911	0.8
171.44749	0.9
173.13240	1.6
182.48886	0.8
187.14790	1.2
236.20126	2.4
237.20462	2.9
261.22153	2.6
317.26816	1.0
329.42422	0.9
335.21887	41.2
335.25839	92.3
336.22296	2.5
336.26138	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
52.25122	0.6
53.03951	1.5
55.01869	0.6
55.05512	18.3
57.03436	21.5
57.07070	2.8
59.04982	0.6
65.03952	3.4
66.87723	0.6
67.05504	76.8
69.06709	1.1
69.07068	16.8
69.23372	2.5
71.04990	1.6
72.81567	0.7
77.03928	1.0
79.05493	38.9
80.05855	0.7
80.48508	0.6
81.07056	70.2
82.07363	1.0
83.04983	1.5
83.08616	7.9
85.06541	2.2
91.05479	20.3
92.05791	0.6
93.07045	38.3
94.07367	0.9
95.04983	4.4
95.08605	55.5
96.08934	1.3
97.06522	2.4
97.10193	2.9
99.08077	1.1
105.04515	2.0
105.07028	12.1
107.08592	18.9
109.06512	2.3
109.10155	22.7
111.08061	1.0
111.11818	0.7
117.07008	4.1
119.06079	0.8
119.08577	9.8
121.10146	16.6
123.08054	2.1
123.11708	7.2
125.09656	0.9
129.05487	1.2
131.08553	7.5
132.08931	0.7
133.10141	9.7
135.08205	0.7
135.11684	11.1
135.12645	1.0
137.09621	1.2
137.13258	2.0
145.10126	6.5
147.11696	5.2
148.39409	0.6
149.13268	6.6
151.11230	0.6
158.31067	0.6
159.11682	4.0
161.13260	4.0
163.14857	1.8
173.13272	3.4
175.14778	1.6
177.16490	0.7
187.14821	2.3
189.16336	0.6
211.14832	0.7
219.17493	0.9
228.03784	0.7
243.21080	3.0
261.22125	6.4
279.23218	1.0
317.24713	2.0
335.25784	100.0
336.26169	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	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03942	1.9
55.05510	22.7
57.03437	20.6
57.07063	1.8
63.30040	0.7
65.03938	3.3
65.54664	0.5
67.05502	81.5
67.27271	0.6
68.05830	1.4
69.03419	0.8
69.06712	1.4
69.07066	19.8
69.68074	2.4
71.04983	2.3
77.03923	1.8
79.05490	41.7
80.05827	0.6
81.07054	68.2
82.07374	1.7
83.04971	2.2
83.08615	7.6
85.06548	1.5
91.05480	20.6
93.07043	43.5
94.07388	1.0
95.04957	4.1
95.08603	52.7
96.08920	1.5
97.06510	2.9
97.10154	2.3
98.23363	0.8
99.08110	1.0
103.05434	0.7
105.04507	2.4
105.07023	11.9
107.08592	20.1
109.06522	2.0
109.10157	20.5
111.08086	2.0
117.06985	3.9
119.06044	0.7
119.08575	9.4
121.10148	14.9
123.08092	1.1
123.11694	5.7
131.08566	6.3
132.85475	0.7
133.10127	6.7
135.07974	0.9
135.11681	8.1
137.13242	1.5
145.10066	3.9
147.11694	4.8
149.09573	1.1
149.13245	4.6
159.11679	2.5
161.13293	3.7
163.14824	2.2
165.12685	1.3
173.13272	3.3
175.14777	1.2
177.16357	0.8
182.78653	0.6
187.14832	1.0
195.11693	0.7
208.72836	0.7
243.21313	1.4
261.22125	3.5
281.84509	0.6
292.90686	0.7
317.24744	1.0
335.25784	100.0
336.26126	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	336.1077
Annotation	Neoascorbigen
Peak:m/z	Relative Intensity
57.03436	3.1
65.66693	0.5
68.94446	0.4
69.79389	0.5
69.79739	1.3
71.01360	1.3
81.07050	0.6
81.58408	0.4
85.02901	56.5
90.92830	0.4
91.05489	1.0
93.07044	0.9
94.25145	0.4
95.01349	0.5
103.03957	1.1
113.02383	1.3
117.05801	0.6
118.06537	37.7
119.07362	0.4
130.06496	0.9
131.03372	2.6
139.07545	3.6
146.05997	18.3
147.06351	0.9
148.07565	2.8
157.08592	1.0
171.66759	0.4
172.03943	1.1
174.05504	11.5
176.07056	3.3
178.08670	1.9
188.07085	0.5
190.04924	0.5
201.07175	0.4
206.08118	40.8
207.08470	1.0
248.09152	5.6
276.08661	2.9
304.08176	1.9
318.09619	0.9
336.10745	100.0
337.11014	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	336.1804
Annotation	Havanine
Peak:m/z	Relative Intensity
53.03949	3.1
54.21532	1.3
55.01869	1.2
55.05522	3.7
56.57212	1.2
57.03445	2.1
57.92076	1.2
58.55404	1.2
67.05502	7.9
69.07063	6.2
69.10962	9.3
70.74509	1.3
71.04983	1.6
79.05492	8.3
81.03426	3.6
81.07051	10.1
83.08622	3.7
91.05481	10.7
93.07039	7.8
95.04977	3.7
95.08623	4.5
96.08120	4.9
97.02879	2.8
97.06519	5.4
103.05493	1.7
105.07024	11.1
106.06560	1.4
107.04954	7.1
107.08652	3.4
108.08152	2.8
109.02856	6.5
109.06501	1.6
109.10165	3.8
110.06086	4.0
110.09716	1.4
110.56653	1.4
115.05413	1.5
117.07037	3.7
119.04934	2.0
119.08605	3.5
121.06518	3.4
122.09627	2.3
123.04472	1.9
124.07589	16.7
125.08356	3.2
126.09149	2.9
129.07028	2.0
131.08575	2.8
132.04509	1.6
132.08095	1.9
133.06500	8.1
133.10158	2.2
135.04414	23.8
135.05351	1.9
135.11679	2.0
136.04665	1.5
136.07631	2.2
136.11227	12.1
138.09132	17.4
143.07378	1.8
143.08501	2.6
145.10110	3.0
146.06050	2.6
146.09596	1.6
147.04416	1.6
149.05949	2.0
150.09180	4.8
151.09966	2.1
152.10742	1.8
159.11711	2.5
160.07571	7.5
160.11166	3.3
161.05984	4.1
161.09627	3.4
162.09122	2.8
162.12871	2.4
164.10707	97.0
165.05499	2.4
165.11055	3.1
167.07060	8.7
169.07602	28.5
170.07964	32.6
170.09497	2.8
174.09073	7.5
176.10741	5.9
177.12682	2.5
178.08633	2.6
178.12245	8.8
187.09923	1.8
188.10715	13.9
188.14394	4.7
189.11359	2.5
190.12254	17.9
190.15973	2.0
198.09056	1.7
199.03891	2.1
202.08748	1.4
202.12300	3.0
202.15942	2.5
206.11748	9.6
212.14256	2.0
213.28503	1.4
216.10265	16.2
216.13803	32.1
217.08604	1.7
217.10710	2.4
218.11781	14.3
218.15366	16.7
230.11801	1.4
230.15445	9.7
234.11246	98.4
235.11736	3.8
238.10477	1.5
240.13773	8.8
243.13899	1.5
243.15854	6.3
248.12915	8.8
256.13309	5.2
258.14880	20.2
265.09698	2.4
266.09991	4.7
266.13986	1.4
268.13336	11.7
269.17407	4.6
276.15823	3.0
286.14365	100.0
287.14841	6.1
292.15491	2.3
300.15918	3.8
304.15408	83.9
305.15692	8.4
308.14896	1.9
318.13770	1.2
318.16977	32.4
320.50989	1.3
336.14209	17.2
336.18109	42.9
336.24927	5.7
337.10931	1.9
337.15662	1.6
337.19870	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53287	0.3
58.89703	0.3
62.06094	0.3
66.92094	0.3
67.05529	0.4
69.67389	1.0
78.65228	0.3
79.05488	0.4
79.46049	0.2
80.96987	0.2
81.07092	0.4
82.07379	0.3
88.07639	0.3
93.07045	0.6
94.07367	0.3
95.08592	0.4
98.22690	0.4
109.06476	0.3
116.65180	0.3
129.74297	0.3
137.13252	0.3
212.84039	0.3
212.97855	0.3
222.34041	0.3
232.42456	0.3
280.34454	0.3
318.21228	0.6
319.39697	0.3
335.29636	0.3
336.22256	100.0
337.22601	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	336.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.8
62.06084	1.8
67.05502	1.8
70.77164	0.7
72.94689	0.7
79.05495	1.7
81.03416	0.6
81.07046	1.8
83.04993	0.6
93.07047	1.4
95.08638	1.0
105.07011	1.3
107.08611	1.2
123.08151	0.5
149.09692	0.7
155.17288	0.6
196.10376	0.5
196.13380	1.7
214.14398	1.9
265.92020	0.6
318.24258	0.6
336.22205	100.0
337.16080	0.9
337.22702	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	337.0808
Annotation	[1S-(1alpha,2beta,5alpha)]-4-Bromo-5-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-2-methylphenol acetate
Peak:m/z	Relative Intensity
50.44063	0.6
54.86987	0.6
56.96560	31.0
67.64250	0.6
68.96575	0.8
69.03420	0.6
70.68564	1.3
70.98115	15.1
75.02356	0.6
77.03355	0.6
84.96027	6.0
88.99155	4.7
98.23407	0.8
98.97575	100.0
99.97897	0.8
110.96782	1.5
110.97552	22.9
112.99113	7.7
115.00709	3.1
116.98614	23.6
119.84253	0.6
124.95466	6.5
124.99108	1.6
126.97023	1.1
128.98596	22.0
131.00154	3.5
133.01707	4.3
134.99651	3.2
140.98566	6.5
142.84697	0.6
142.96536	3.8
143.00172	3.4
144.98108	2.4
145.01852	0.8
146.99637	15.1
149.01237	1.2
151.02791	1.5
152.94923	2.9
152.98622	3.1
155.00185	0.8
156.98103	2.0
157.01691	0.9
158.99637	28.6
161.01193	3.1
165.00696	5.8
170.96007	9.2
170.99632	7.2
172.94182	0.7
173.01253	1.0
174.74728	0.6
174.99159	3.6
175.02710	3.6
177.00706	12.7
184.96167	0.7
184.97606	4.9
186.90154	0.7
187.02820	1.1
188.97070	11.3
189.00681	10.7
189.02240	1.1
191.02177	0.9
193.00200	2.1
193.03912	1.0
201.00685	4.7
202.98624	5.8
205.00180	4.3
206.98155	3.9
207.01759	5.5
212.16205	0.7
212.97075	4.9
214.98615	0.9
217.00325	3.2
217.03809	2.2
219.01756	28.2
220.99666	2.6
223.01208	1.5
229.03925	1.0
230.98106	14.5
232.99617	1.1
235.01218	2.3
235.04871	0.9
237.02792	22.1
244.99651	12.1
247.01355	0.7
248.99081	3.0
249.02858	1.9
255.03848	0.9
263.00723	24.9
267.03638	1.1
277.02304	10.4
277.05896	27.6
278.06097	0.9
281.01724	2.3
295.06964	69.0
296.07321	2.0
305.01694	1.8
332.10080	1.1
337.08005	30.7
338.08188	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	337.0895
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
60.93288	1.2
63.25252	1.2
69.59679	1.5
69.60630	3.0
98.23380	2.6
98.26569	1.3
152.15013	1.3
160.20018	1.5
182.28160	1.2
261.79175	1.4
319.95804	1.6
337.08862	100.0
338.09140	3.7
359.77844	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27865	2.2
53.03928	2.8
55.01847	2.3
55.05497	6.8
55.85402	2.1
60.00001	2.3
61.45315	2.5
65.03921	3.3
67.05505	20.8
69.03435	2.9
69.07080	4.0
69.79465	7.9
70.26104	2.5
77.25778	2.3
79.05489	50.2
81.03383	5.2
81.07053	19.1
83.08598	5.5
91.05480	41.6
93.07047	17.1
95.04944	9.5
95.08599	15.5
98.23380	3.1
105.07028	24.4
106.07811	2.5
107.04906	5.1
107.08567	7.4
109.06525	3.6
109.10069	2.7
115.05448	8.8
117.06986	10.2
119.08590	12.7
121.06496	3.3
121.10165	3.9
125.96240	2.3
128.06136	2.6
129.07004	11.6
130.07785	4.1
131.08530	11.1
133.02829	7.9
133.06458	5.7
133.10104	11.5
135.07991	2.9
135.11662	4.4
137.09567	3.0
141.06976	15.9
143.04871	3.4
145.02745	3.0
147.08020	4.9
147.11656	11.9
148.08798	9.1
149.13181	4.2
155.08594	3.0
157.10101	8.8
158.10913	4.3
159.04382	8.5
159.11656	4.4
161.02402	15.8
161.09541	3.1
163.03854	9.0
165.07024	5.6
165.85896	2.3
168.82651	2.6
169.06459	5.0
173.02325	28.5
175.11151	13.7
176.11955	98.2
177.12611	6.6
181.06384	3.1
183.04422	3.3
187.03900	16.1
193.06468	3.3
197.05916	9.8
199.03864	23.1
209.05931	3.9
211.07515	4.0
213.05475	18.3
219.01950	2.3
225.05441	46.0
226.05664	2.5
227.06911	4.8
239.07004	22.9
249.05510	4.4
251.06999	3.9
252.14236	2.1
253.08664	3.4
255.09607	6.2
309.14764	8.8
319.13251	13.2
334.54233	2.3
336.29932	6.8
337.14203	100.0
337.20081	5.5
338.14551	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	337.1749
Annotation	12-epi-Fischerindole U isothiocyanate
Peak:m/z	Relative Intensity
51.05677	0.3
51.12341	0.3
53.03908	0.4
53.80708	0.3
55.01864	0.7
55.05254	0.5
55.05507	6.2
57.03185	0.5
57.03436	5.2
57.07060	0.9
65.03951	0.4
67.05505	13.2
68.05833	0.4
69.06717	0.5
69.07069	6.2
70.57844	0.4
71.04972	0.5
71.08604	0.6
79.05495	4.1
81.07055	12.0
82.07383	0.7
83.04969	0.4
83.08626	3.7
85.06541	2.4
85.33252	0.3
91.05485	3.1
93.07053	3.2
95.04964	4.0
95.08603	7.4
97.06565	0.7
97.10182	1.7
103.98473	0.4
105.07018	2.3
107.04999	0.4
107.08591	2.0
109.06517	3.1
109.10140	2.9
113.06010	7.5
113.06751	0.7
117.07041	0.7
119.08596	1.6
121.10139	1.7
123.08032	0.4
123.11703	1.0
131.08540	0.5
133.10129	1.1
135.08008	1.8
135.11684	1.1
137.13263	0.6
145.10117	0.4
147.11679	0.8
149.13269	0.7
160.00778	0.4
161.09747	0.3
173.05531	0.6
175.14830	0.5
188.85271	0.3
227.75549	0.3
263.23740	0.4
273.18478	1.6
291.19519	2.8
312.37421	0.4
319.22586	0.4
337.17480	100.0
337.27213	18.3
338.17822	7.0
338.27460	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42827	0.3
55.05510	5.3
57.03440	3.7
57.07066	1.0
60.34570	0.3
67.05504	11.3
68.05830	0.3
69.03430	0.4
69.07071	6.2
69.29432	1.5
71.05001	0.4
71.13366	0.3
79.05495	3.3
81.07058	10.8
82.07390	0.4
83.04964	0.5
83.08620	3.1
86.93871	0.4
87.99774	0.3
91.05489	1.6
93.07048	3.9
95.04988	0.5
95.08605	7.7
97.06506	0.8
97.10177	1.8
98.22596	0.6
101.52403	0.3
105.07022	1.7
107.08586	1.4
109.10156	3.2
111.08101	0.5
111.11712	0.6
119.08568	1.0
121.10159	1.2
123.11700	1.4
133.10121	1.1
134.66528	0.4
135.11717	0.8
137.13219	0.6
147.11700	0.6
149.13225	0.5
157.84306	0.3
161.13300	0.8
163.14911	0.4
175.14893	0.3
197.50290	0.4
215.14403	0.3
263.23672	0.5
337.17490	100.0
337.27237	17.5
338.17844	6.2
338.27658	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	12.5
57.03431	7.8
66.49360	3.1
67.05508	27.5
67.70540	2.7
69.03410	5.5
69.07066	34.2
71.04991	11.8
71.12224	2.9
79.05490	27.5
80.05796	3.3
81.03384	3.9
81.07043	12.5
83.04961	12.1
83.08629	7.2
85.02898	13.9
85.06551	6.1
89.03936	2.9
91.05486	7.2
93.07045	42.7
95.04985	5.5
95.08607	66.3
97.02844	3.0
97.06530	56.9
97.10133	3.4
105.07072	4.0
107.08566	2.9
109.10151	32.0
111.04437	3.5
111.08073	4.0
113.09687	6.5
114.10286	4.1
115.07568	100.0
115.72438	3.5
121.10151	19.7
122.05993	3.6
127.11172	8.9
135.04445	3.7
139.11168	17.4
141.09135	14.7
145.12215	8.5
155.10664	6.4
157.12228	44.3
159.08044	3.1
159.10164	4.4
163.03891	9.2
165.05467	3.4
175.13286	16.3
195.84113	3.3
208.78055	3.0
284.46765	3.3
306.09625	3.2
337.09134	11.5
337.14023	3.6
337.17545	6.2
338.12381	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.1
55.05513	12.5
57.03434	3.4
61.02935	2.4
67.05508	38.1
69.03427	4.3
69.07067	31.5
69.68083	2.7
69.68397	5.8
71.04988	7.5
72.08150	2.9
73.83518	2.6
79.05488	28.7
81.03384	3.2
81.07066	17.0
83.04976	11.1
83.08615	8.8
84.08178	2.5
85.02908	14.9
85.06525	6.7
88.65809	2.0
91.05474	8.6
93.06515	3.9
93.07049	37.8
95.04967	4.0
95.08608	70.5
96.08932	2.3
97.05896	2.7
97.06526	47.2
97.10183	7.3
105.07011	6.1
107.04938	3.3
109.10163	28.8
111.08099	2.2
113.06021	3.4
113.09649	2.7
114.10316	7.3
115.07571	100.0
115.11209	3.1
116.07934	2.3
117.03370	4.3
119.08544	2.3
121.10140	18.4
123.08081	4.1
127.03951	2.6
127.11223	8.5
130.05031	4.2
135.04411	7.0
139.07607	2.7
139.11192	21.8
141.09102	10.6
145.02852	3.7
145.12276	7.4
155.10587	3.4
157.12244	47.1
159.10197	4.7
163.03912	27.6
175.13286	21.8
185.11819	3.0
195.98666	2.3
236.09248	2.8
245.16383	2.4
337.08722	11.7
337.14346	3.1
337.17636	3.9
338.08820	3.0
338.12408	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	337.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65995	0.5
51.05733	0.5
55.05506	2.2
67.05510	2.5
67.58196	0.5
69.07067	3.2
70.56126	0.8
73.06570	0.6
75.19627	0.5
79.05495	3.0
81.03407	0.7
81.07046	3.8
82.05211	0.5
83.04965	0.6
83.08591	1.1
85.06543	1.2
89.59556	0.5
91.05480	2.8
93.07031	1.5
95.04973	0.7
95.08606	3.3
97.06534	0.8
98.22805	0.7
105.07003	2.6
107.04941	0.6
107.08615	1.7
109.06448	0.6
109.10148	1.8
111.08062	0.8
115.05530	0.5
117.07042	0.7
119.08548	1.4
121.06466	0.7
121.10162	1.2
123.11696	1.0
126.02649	0.6
129.06992	0.6
131.08633	0.6
133.10144	1.7
135.04422	1.9
135.11707	1.0
136.04767	1.0
137.13226	0.6
139.09500	0.7
147.11714	1.0
149.13269	0.7
151.11203	1.0
161.02347	0.7
161.07928	0.6
164.07060	7.0
164.10690	3.5
165.11073	2.4
167.06870	1.0
173.02287	0.7
174.09128	0.6
175.09492	0.7
176.11937	1.9
177.12770	0.6
179.10736	0.6
185.38266	0.6
189.11000	1.0
190.12074	0.7
191.12596	1.1
197.06061	1.1
199.03975	2.1
213.05464	2.0
217.05043	0.6
217.14212	2.1
219.12169	0.9
219.15738	1.1
223.08421	1.1
225.05379	2.7
231.15738	0.6
234.11263	2.3
235.11537	3.5
249.13084	0.7
259.15189	0.9
269.13739	1.0
278.13870	13.9
279.14648	0.9
287.14697	5.7
296.15063	1.7
305.15735	5.4
314.16028	0.7
319.13828	0.6
319.17532	3.1
319.26260	1.5
337.10886	2.3
337.14810	3.8
337.19855	100.0
338.16110	0.8
338.20013	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	337.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65995	0.5
51.05733	0.5
55.05506	2.2
67.05510	2.5
67.58196	0.5
69.07067	3.2
70.56126	0.8
73.06570	0.6
75.19627	0.5
79.05495	3.0
81.03407	0.7
81.07046	3.8
82.05211	0.5
83.04965	0.6
83.08591	1.1
85.06543	1.2
89.59556	0.5
91.05480	2.8
93.07031	1.5
95.04973	0.7
95.08606	3.3
97.06534	0.8
98.22805	0.7
105.07003	2.6
107.04941	0.6
107.08615	1.7
109.06448	0.6
109.10148	1.8
111.08062	0.8
115.05530	0.5
117.07042	0.7
119.08548	1.4
121.06466	0.7
121.10162	1.2
123.11696	1.0
126.02649	0.6
129.06992	0.6
131.08633	0.6
133.10144	1.7
135.04422	1.9
135.11707	1.0
136.04767	1.0
137.13226	0.6
139.09500	0.7
147.11714	1.0
149.13269	0.7
151.11203	1.0
161.02347	0.7
161.07928	0.6
164.07060	7.0
164.10690	3.5
165.11073	2.4
167.06870	1.0
173.02287	0.7
174.09128	0.6
175.09492	0.7
176.11937	1.9
177.12770	0.6
179.10736	0.6
185.38266	0.6
189.11000	1.0
190.12074	0.7
191.12596	1.1
197.06061	1.1
199.03975	2.1
213.05464	2.0
217.05043	0.6
217.14212	2.1
219.12169	0.9
219.15738	1.1
223.08421	1.1
225.05379	2.7
231.15738	0.6
234.11263	2.3
235.11537	3.5
249.13084	0.7
259.15189	0.9
269.13739	1.0
278.13870	13.9
279.14648	0.9
287.14697	5.7
296.15063	1.7
305.15735	5.4
314.16028	0.7
319.13828	0.6
319.17532	3.1
319.26260	1.5
337.10886	2.3
337.14810	3.8
337.19855	100.0
338.16110	0.8
338.20013	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	337.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	31.7
57.07076	21.2
57.53586	1.6
66.59405	1.4
69.07072	30.3
71.08632	4.9
76.08546	1.5
77.99876	1.6
79.05497	2.4
81.03414	1.7
81.07067	7.5
83.08620	100.0
84.08111	1.4
85.02912	12.9
95.04984	1.7
95.08599	2.5
97.10168	21.0
107.04952	1.6
109.06564	2.3
109.10163	1.8
121.10152	2.0
124.03984	2.3
126.09338	1.7
127.03928	1.7
137.05948	2.2
138.05531	2.4
139.14835	2.5
151.82088	1.7
157.15906	26.8
163.03876	9.0
175.16968	7.1
238.07080	2.2
246.11185	1.9
259.10873	6.8
268.08331	2.6
270.09644	3.6
301.11746	5.9
306.09622	4.4
319.12973	4.0
337.11072	2.3
337.15662	9.5
338.12900	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2373
Annotation	12,20-diHETE
Peak:m/z	Relative Intensity
55.01849	2.1
55.05513	4.4
57.07074	3.3
59.04995	3.5
63.55428	1.9
66.71597	2.0
67.05495	14.1
69.07065	36.1
69.07424	1.7
69.32442	7.8
69.32858	3.8
71.04987	5.5
73.08865	1.9
79.05484	12.4
81.06612	3.3
81.07054	28.4
81.31831	2.4
83.04971	7.6
83.08607	8.6
85.06543	2.8
91.05454	14.6
93.07043	28.8
95.04972	5.1
95.08602	35.5
97.06515	6.6
99.08067	3.8
105.07028	45.1
107.08587	34.2
109.06511	6.5
109.10159	22.5
111.08070	7.5
117.07014	10.8
119.08579	36.0
120.08083	6.9
121.06541	2.7
121.10127	21.7
123.08084	5.6
123.11687	8.3
125.09633	2.5
128.06190	3.7
129.07013	8.0
131.08565	32.9
133.10117	31.2
135.08037	7.1
135.11690	10.1
137.09627	7.0
138.45674	2.1
141.06963	2.2
142.07777	4.1
143.08548	31.5
145.10123	46.0
147.08054	3.6
147.11662	24.6
147.70970	2.2
149.09576	6.7
149.13245	9.7
151.11191	8.0
152.10690	6.7
155.08562	9.7
156.09326	5.4
157.10124	34.6
159.11687	63.1
160.12006	2.5
161.09621	2.9
161.13216	15.2
163.11113	5.3
167.08498	3.6
168.09338	4.5
169.10118	20.0
170.10672	2.9
171.11717	28.1
173.13237	13.4
175.11246	3.4
175.14853	5.2
181.10185	4.7
182.10861	2.5
183.11703	19.5
184.12207	3.1
185.13222	26.2
187.11162	3.0
187.14813	34.0
188.15195	3.5
189.12685	3.4
191.14413	4.8
195.11598	4.3
197.13220	14.9
199.14803	37.5
201.12683	3.4
201.16385	9.3
203.14256	3.8
209.13217	7.9
211.14856	6.3
213.16368	13.4
215.14299	2.7
215.17992	8.0
223.14729	4.1
225.16370	18.5
227.14294	5.8
227.17905	3.1
228.15230	2.8
229.15970	3.4
231.17430	6.9
237.16368	9.1
239.17953	20.2
241.15829	5.1
241.19476	36.7
242.19891	3.8
243.17506	14.8
245.15422	2.8
255.17397	7.6
255.21150	15.2
257.18958	15.8
259.16904	2.7
259.20547	8.3
261.18549	4.1
263.16415	4.6
265.19528	24.4
273.18930	2.8
273.22061	7.6
275.20071	41.3
283.20554	100.0
284.20993	12.7
301.21603	79.6
302.22009	7.7
319.22681	61.0
320.23093	5.4
337.20676	8.4
337.24414	21.9
338.23917	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	337.2374
Annotation	Acanthoaustralide
Peak:m/z	Relative Intensity
53.03948	1.7
54.12173	1.1
55.01871	2.6
55.05511	37.3
57.03440	15.3
57.07082	6.2
59.04989	1.4
64.23260	1.1
65.03938	3.2
67.05507	60.4
69.03426	2.5
69.07070	39.9
71.04991	2.0
71.08628	2.6
75.76908	1.0
79.05492	21.3
81.03419	1.6
81.07058	61.4
82.07375	1.1
83.05000	3.4
83.08621	21.6
85.06539	1.7
85.10197	1.5
89.06018	1.4
91.05486	14.7
93.07047	17.9
95.04979	3.9
95.08607	50.8
97.02870	2.0
97.06521	5.8
97.10165	16.0
99.08092	2.8
105.04514	1.1
105.07034	9.4
107.04979	2.7
107.08587	12.8
109.10159	22.2
111.08086	3.5
111.11744	2.4
117.07034	3.1
119.08578	10.6
121.10152	9.0
123.08060	3.1
123.11686	7.9
125.09638	6.9
126.79427	1.1
131.08591	3.3
133.10124	8.4
135.08044	2.7
135.11687	4.5
137.09634	2.5
137.13237	3.6
143.08615	1.4
145.10155	2.8
147.08067	2.1
147.11668	4.1
149.09674	1.5
149.13234	2.7
151.11081	1.5
151.14731	2.2
161.13235	3.1
163.14864	2.4
164.42442	1.1
175.14810	2.8
177.16434	1.2
189.16466	1.2
217.14363	2.3
223.13228	5.7
235.16814	1.2
251.16460	1.5
263.23672	4.0
273.18536	4.0
291.19537	56.4
292.19855	3.1
319.22705	14.2
332.24301	1.1
337.27362	100.0
338.27670	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	337.2374
Annotation	Hepoxilin B3
Peak:m/z	Relative Intensity
53.03945	2.9
55.01865	4.0
55.05260	2.0
55.05515	37.1
57.03191	1.5
57.03442	21.5
57.07081	8.1
65.03938	1.9
67.05505	82.6
69.03433	2.9
69.07068	42.9
69.16913	1.3
69.17237	7.7
70.07391	1.9
71.04984	3.7
71.08617	2.2
73.06558	1.3
79.05488	30.4
81.03413	1.3
81.07056	76.6
83.04987	12.6
83.08621	23.2
85.06539	3.4
87.28108	1.2
91.05480	21.3
93.07047	32.9
95.04984	7.1
95.08608	60.4
96.08928	1.6
97.06525	6.0
97.10165	10.4
99.08067	1.9
105.07038	20.9
107.04939	3.3
107.08594	20.8
109.06533	6.5
109.10162	29.4
111.04425	1.4
111.08100	5.5
111.11726	2.9
117.07045	3.7
119.08601	11.2
121.06500	4.2
121.10146	10.1
123.04452	1.6
123.08055	4.9
123.09851	1.2
123.11700	11.8
125.09648	2.3
125.13335	1.1
129.07001	3.0
131.08533	6.0
133.06465	3.5
133.10138	25.1
135.08054	3.6
135.11694	5.1
137.09598	2.7
137.13243	3.7
139.07526	2.5
143.08530	2.5
145.10124	4.9
147.08049	3.2
147.11710	6.9
149.09618	4.2
149.13260	3.4
151.11172	19.6
151.14850	1.7
152.11487	1.2
159.08006	1.6
159.11749	1.8
161.09633	4.6
161.13268	4.6
163.11157	2.0
163.14845	2.6
165.12651	1.3
171.11699	2.2
173.13248	2.3
175.11125	2.0
175.14864	1.6
177.09138	2.9
179.10660	2.6
189.12782	1.8
197.15434	9.0
225.14754	1.4
245.18970	3.4
245.22728	2.9
250.01109	1.1
255.17473	1.8
263.20090	4.9
263.23709	4.1
273.18506	10.6
291.19556	26.2
292.19894	1.7
319.22748	3.5
337.10797	2.7
337.23862	5.6
337.27359	100.0
338.27725	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	337.2737
Annotation	Subamolide C
Peak:m/z	Relative Intensity
52.82001	0.5
53.03947	1.7
55.01873	1.0
55.05515	25.5
56.05817	0.6
57.03440	19.8
57.07078	4.9
63.12793	0.5
65.03935	2.6
67.05506	55.9
68.05843	1.1
69.07071	32.6
70.07406	0.9
71.04984	1.7
71.08625	1.5
79.05495	15.9
80.05798	0.6
81.07058	56.3
82.07378	1.4
83.04971	2.4
83.08621	18.6
85.06529	2.1
85.10154	1.0
91.05479	11.2
93.06454	0.9
93.07043	14.4
93.07608	1.2
94.07355	0.9
95.04974	1.4
95.08608	42.9
96.08941	1.2
97.06527	3.6
97.10176	8.1
99.08078	1.1
105.04523	0.6
105.07033	6.6
107.08602	8.3
108.08933	0.6
109.06516	1.1
109.10161	15.4
111.08096	1.4
111.11710	2.4
113.09641	0.7
119.08575	4.3
121.10149	7.1
122.10481	0.6
123.08072	1.5
123.11711	7.6
125.09645	1.0
127.95680	0.5
131.08572	0.8
133.10143	5.4
135.11684	4.2
137.09592	1.5
137.13237	2.2
139.11194	0.5
147.11682	3.6
149.13239	2.6
151.14803	1.5
153.12735	0.6
159.11621	0.7
161.13261	2.5
163.14812	2.4
165.12820	0.6
173.01256	0.5
175.14827	2.3
179.14388	0.7
189.16397	1.0
204.06830	0.6
212.14362	0.6
221.19157	0.6
245.22704	1.8
251.01018	0.6
263.23737	3.9
314.16431	0.8
315.86887	0.6
337.27362	100.0
338.27710	8.2
338.34271	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2737
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03936	1.6
55.01871	1.4
55.05511	32.1
57.03439	20.7
57.07074	4.8
65.03927	2.2
67.05505	64.6
69.07069	38.0
69.07398	0.5
69.13792	1.8
69.14211	2.9
71.04985	1.8
71.08633	1.5
79.05494	16.4
81.07056	60.8
82.07372	1.0
83.04972	3.0
83.08615	17.2
85.06536	3.5
91.05477	9.8
93.07043	15.1
95.04974	4.2
95.08605	46.0
97.06520	3.2
97.10162	9.0
99.08079	1.3
99.85289	0.8
105.07024	7.2
107.08590	9.5
109.06518	1.9
109.10156	19.1
111.08088	2.0
111.11733	2.3
113.06017	4.3
119.08575	6.7
121.10141	7.8
123.08037	1.3
123.11723	8.2
125.09636	1.2
131.08534	0.9
133.10107	6.6
135.08031	1.1
135.11693	3.1
137.09570	1.1
137.13251	2.8
139.11227	0.8
145.10173	0.8
147.11723	4.2
149.13286	2.3
159.04448	0.7
161.13297	3.6
163.14870	1.3
170.26820	0.9
175.14825	2.6
196.67656	0.8
245.22679	1.6
263.23740	3.1
273.18533	0.8
275.94208	0.7
283.79971	0.7
291.19489	1.5
337.17560	29.1
337.27353	100.0
338.17984	2.0
338.27774	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	337.2737
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
51.80825	0.2
53.03944	1.3
55.01875	1.3
55.05510	31.1
57.03436	20.3
57.03645	0.3
57.03736	0.5
57.06815	0.4
57.07076	4.8
59.04986	0.6
64.73145	0.3
65.03950	2.4
67.05502	66.1
68.05838	1.3
69.03428	0.3
69.07066	37.7
70.07387	0.8
71.04992	1.3
71.08644	1.6
77.03921	0.5
79.05491	15.8
80.05788	0.4
81.07053	62.3
82.07381	1.5
83.04975	1.9
83.08617	18.8
84.08967	0.3
84.60184	0.3
85.06522	1.8
85.10188	0.6
91.05477	10.6
93.07042	15.9
94.07383	0.5
95.04974	1.9
95.08603	44.9
96.08936	1.2
97.06526	4.0
97.10159	8.9
98.97564	0.4
99.08090	1.6
105.04513	0.8
105.07024	7.9
107.08591	8.5
108.08983	0.3
109.06535	0.8
109.10152	17.2
110.10479	0.4
111.08087	1.7
111.11697	1.6
113.09651	0.5
116.93911	0.3
119.08573	6.8
121.10136	6.3
123.08054	1.4
123.11700	7.1
125.09615	1.2
125.13222	0.4
127.07552	0.4
131.08614	0.5
133.10133	6.0
133.11128	0.4
135.11699	3.5
137.09610	1.1
137.13261	2.8
139.11163	0.6
145.10167	0.6
147.11688	4.7
147.62296	0.3
149.13275	2.4
150.13579	0.3
151.11160	0.5
151.14818	1.1
153.12767	1.0
157.15877	0.3
159.11594	0.3
161.13255	2.3
163.14825	2.5
165.12791	0.7
165.16417	0.6
175.14859	2.4
177.16437	0.4
179.17952	0.3
181.15919	0.4
189.16411	0.8
193.15994	0.4
245.22614	1.5
263.23691	3.1
319.26367	0.4
337.17755	6.2
337.27341	100.0
338.17706	0.5
338.27679	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	337.2739
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03937	1.3
55.01872	1.1
55.05511	27.6
56.05828	0.5
57.03438	17.7
57.07080	5.5
57.29395	0.4
62.78162	0.4
65.03938	2.4
65.39732	0.4
66.04709	0.4
67.05505	59.1
68.05823	0.9
68.22228	0.4
69.03419	0.4
69.07068	32.5
69.51335	1.7
71.04985	1.8
71.08623	2.1
79.05495	15.6
81.07056	55.3
82.07395	1.2
83.04976	1.4
83.08620	15.9
85.06542	1.8
85.10192	1.0
88.02223	0.6
89.06030	1.2
89.90194	0.4
91.04939	0.7
91.05479	10.0
93.07045	13.9
95.04964	1.8
95.08606	43.0
96.08966	0.9
97.06535	3.6
97.10171	7.6
98.23378	0.6
99.08077	1.9
101.05991	0.5
105.07034	7.2
107.08597	7.9
109.06533	1.3
109.10155	18.1
110.10466	0.5
111.08053	2.0
111.11721	1.6
113.09635	0.7
116.05309	1.8
119.08585	4.8
121.10148	7.1
123.08051	0.9
123.11704	7.1
125.09657	1.1
125.13198	0.6
129.05475	0.5
133.10127	5.8
135.11688	4.1
137.09641	1.1
137.13258	2.7
139.11197	0.9
147.11676	3.9
149.13274	3.1
150.23886	0.4
151.09698	0.6
151.11153	0.7
151.14844	1.1
152.09998	0.4
161.13223	3.3
163.14842	2.0
167.14304	0.7
172.11565	0.5
175.14825	2.3
177.16394	0.8
189.16315	1.0
239.78345	0.4
245.22661	2.3
263.23700	3.9
275.75458	0.4
277.25412	0.4
319.26239	0.7
337.27359	100.0
338.27673	6.9
338.34113	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.7
55.01871	0.9
55.05505	1.5
57.03423	1.1
61.02929	1.0
67.05499	7.0
69.03411	2.1
69.07050	2.2
70.06573	0.8
71.04969	1.1
73.02927	0.6
79.05482	2.4
81.03407	2.0
81.07055	15.3
83.04933	0.7
83.08617	0.6
83.85240	0.6
84.08137	1.1
85.02901	10.1
87.04472	0.7
91.05474	2.3
93.07050	2.8
95.04962	1.6
95.08602	41.1
96.08933	0.8
97.02872	1.9
97.06536	1.2
99.04447	5.6
99.08089	3.5
105.07026	1.4
109.02882	1.6
113.09653	2.1
117.03364	0.6
119.04961	4.9
120.08083	1.1
121.08473	0.6
123.08067	44.8
123.11664	0.8
124.07588	0.8
124.08408	1.4
127.03959	1.1
138.09119	2.4
141.09099	100.0
142.09444	2.5
145.02838	1.1
145.04958	1.0
147.04407	18.8
149.05956	0.8
159.10167	18.9
160.10576	0.9
163.03922	1.1
164.07091	2.1
167.06949	0.7
174.57219	0.6
177.05482	2.1
179.09361	1.0
277.58884	0.6
310.07736	0.7
320.18579	0.9
321.09512	0.8
338.12234	1.0
338.18600	0.9
339.18948	3.6
345.14282	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22803	0.6
53.03956	0.7
55.01874	0.7
55.05506	1.8
57.03435	0.8
61.02932	0.8
61.78108	0.8
67.05505	6.6
69.03419	2.5
69.18929	2.1
69.19340	1.7
71.05001	0.8
79.05485	1.8
81.03419	2.2
81.07063	14.6
83.68977	0.6
84.08141	1.1
84.78807	0.6
85.02899	9.7
87.14586	0.6
87.24861	0.6
91.05481	1.6
93.07034	2.7
95.04967	1.1
95.08610	36.4
97.02909	1.9
97.06507	1.2
98.22751	1.2
98.97539	0.7
99.04456	5.8
99.08081	2.9
105.07024	1.8
109.02869	0.9
113.09650	2.3
119.04967	3.3
119.05693	0.8
123.08067	43.6
123.11746	1.4
124.07581	1.1
124.08425	2.0
127.03938	0.8
138.09167	1.2
141.09102	100.0
142.09445	3.1
144.53725	0.7
145.02837	1.2
145.04962	0.9
147.04407	12.6
159.10185	17.4
159.13768	0.9
164.07085	1.6
176.03325	0.9
177.05496	2.6
184.80925	0.8
189.88783	0.7
273.72983	0.7
320.18655	1.0
339.18979	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	338.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.5
55.05500	3.5
56.54836	1.1
56.96548	1.9
57.03425	1.9
67.05505	5.9
69.07066	10.9
79.05486	4.7
81.07055	8.2
83.04968	5.0
86.09706	100.0
87.10043	1.8
91.05489	8.3
93.07043	11.4
95.04963	4.3
95.08614	5.1
97.06525	2.1
97.10171	1.8
98.97591	10.3
105.07034	14.4
107.04961	1.5
107.08569	3.6
108.04498	2.4
109.06502	8.7
109.10202	1.5
109.53302	1.1
111.04450	1.6
111.08078	2.0
116.98613	5.5
119.08580	6.0
119.31645	1.2
121.06467	1.8
121.10144	2.3
123.08041	1.4
128.10712	4.8
131.08578	3.5
133.10121	15.5
134.99652	1.4
135.11688	1.4
137.31923	1.3
145.10127	1.6
146.11758	29.5
147.11711	8.7
149.09583	2.4
151.07584	2.6
151.11177	28.9
154.05096	1.4
156.10118	1.7
157.10194	1.8
159.93971	1.2
165.12770	2.2
168.06532	2.7
175.11160	3.3
186.07664	2.7
193.12218	4.0
256.96567	2.1
260.20071	4.4
274.97531	15.2
278.21146	37.5
279.21432	1.8
283.16876	2.4
289.17981	2.5
292.98431	8.7
297.99088	2.5
306.20700	3.9
320.22229	4.0
321.20520	3.0
338.19684	2.3
338.23254	15.9
338.26715	3.6
338.96906	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2689
Annotation	Melophlin I
Peak:m/z	Relative Intensity
53.50702	0.9
53.89062	0.9
55.05514	8.1
57.03425	3.1
57.07066	3.2
58.07406	1.2
62.06090	100.0
63.06410	1.0
67.05505	17.4
69.07076	7.2
70.18254	2.4
71.04990	1.4
71.08633	26.3
79.05503	13.1
81.03394	1.4
81.07052	18.6
83.04962	3.0
83.08614	4.2
83.33664	0.9
85.06531	1.3
91.05495	9.0
93.07049	13.1
95.04976	3.5
95.08607	11.8
95.38049	0.9
97.06519	3.1
97.10164	2.3
98.06055	3.5
98.97588	6.9
99.08091	14.7
105.07032	7.0
107.04946	1.7
107.08601	9.3
109.06496	2.3
109.10167	3.5
111.08099	1.2
113.09622	0.9
114.06361	1.0
116.98608	3.4
119.08599	6.8
121.06509	1.0
121.10142	3.9
123.08048	1.7
124.11277	1.0
125.09644	1.5
127.11205	1.3
129.52760	1.0
130.53476	1.0
131.08578	1.4
133.10112	3.7
134.99701	1.7
135.08038	1.1
135.11684	5.2
145.10100	3.4
147.11708	2.3
149.13260	2.4
151.11183	5.3
159.08144	1.7
161.13251	5.2
163.11198	4.7
165.12833	1.2
166.86711	1.0
173.09863	1.0
175.14890	2.1
179.14322	12.6
180.14665	3.4
180.97885	1.0
196.13310	2.3
201.85928	1.0
214.14330	2.9
222.18532	21.2
240.19574	29.6
241.19666	2.7
259.20560	5.0
274.97464	9.4
277.21683	4.8
289.17963	2.2
292.98523	4.1
320.25830	96.9
321.20679	1.2
321.23541	1.1
321.26123	4.4
338.22928	8.5
338.26846	34.6
339.27252	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	339.1077
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
51.16775	0.4
62.29475	0.4
65.03935	1.8
67.05503	0.5
69.03424	0.7
71.45309	0.4
81.03429	0.6
84.08134	0.5
91.05481	13.2
94.50223	0.3
95.04976	0.8
99.04424	0.5
107.04958	0.8
119.04939	28.5
120.05278	1.2
127.03819	0.5
129.63092	0.3
129.65514	0.3
131.04930	0.3
135.04367	0.5
137.05925	0.8
143.10693	0.5
145.02893	0.9
147.04405	100.0
148.04753	3.9
151.03879	0.3
153.05475	0.3
168.02931	0.3
177.05450	1.4
279.10306	0.5
307.09570	0.5
321.09512	0.5
339.12234	1.1
339.19379	0.6
359.54462	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1075
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
53.87450	0.3
65.03941	0.8
69.03408	0.3
69.61816	0.4
69.62183	0.4
71.66692	0.2
81.03419	0.2
83.04981	0.8
85.02914	0.5
91.05482	8.3
95.04997	0.5
98.23464	0.5
99.82275	0.2
107.04971	0.7
109.02892	0.6
111.04440	0.4
119.04948	21.8
120.05265	1.0
123.04401	0.2
125.02367	0.3
133.02811	0.3
138.09149	0.4
147.04408	100.0
148.04758	3.8
149.06047	0.3
151.03940	0.4
164.07051	1.1
165.05498	0.5
177.05440	0.8
200.68646	0.2
204.87015	0.3
210.11128	0.3
219.02876	0.5
261.03867	0.3
279.13321	0.5
321.09567	0.5
339.15607	0.4
339.19232	1.1
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	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
51.75143	0.4
53.03939	1.7
55.01881	0.4
55.05515	0.5
57.03427	1.2
63.29366	0.4
65.03933	0.9
67.05497	1.6
69.03428	5.6
70.06574	0.7
71.01329	1.0
71.05000	1.0
73.02927	0.4
77.03936	1.2
79.05495	5.3
81.03418	4.7
81.07053	1.7
83.04983	0.7
85.02893	3.7
89.80158	0.4
91.05482	11.5
93.07024	2.0
95.01332	0.4
95.04961	10.8
95.05530	0.8
97.02898	3.6
99.04436	2.1
103.05450	2.8
105.03373	0.5
105.04529	1.0
105.07040	0.9
107.04956	19.6
109.02876	11.1
109.06535	2.4
111.04443	0.9
112.95724	0.4
119.04942	23.2
120.05286	0.6
121.06498	3.5
123.04432	3.1
125.02327	4.0
125.05998	1.4
127.03915	5.1
129.07036	0.4
131.04893	2.0
133.02849	3.0
133.06490	0.5
135.04411	2.1
141.12746	0.5
145.04974	1.2
147.04407	100.0
148.04759	3.6
149.05965	7.5
151.03903	14.4
152.04236	0.6
152.10747	0.4
153.05476	1.6
159.04391	2.0
164.07066	1.4
165.05469	0.9
167.03421	1.3
177.05463	9.6
195.02811	0.7
195.06525	3.9
271.31323	0.5
280.08136	1.6
295.08142	0.8
321.09677	1.8
339.10812	3.0
339.19101	1.2
340.14014	0.5
344.39105	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.7
56.05022	0.6
57.03427	0.9
65.03947	0.7
67.05505	1.6
69.03423	1.4
69.07061	0.8
69.08915	3.8
70.06595	1.5
71.04984	1.3
79.05505	2.9
81.03409	0.9
81.07050	5.3
84.08155	3.1
85.02905	13.0
85.06540	1.4
91.05479	9.5
93.05782	0.8
93.07028	1.2
94.06564	1.4
95.01303	0.6
95.04962	1.2
95.08605	1.0
96.08110	1.8
96.08924	0.9
97.06528	0.8
97.10116	0.6
99.08039	0.7
106.06573	1.3
107.04918	0.9
108.08134	1.4
109.06516	1.3
110.06057	3.9
111.04410	0.6
118.06533	2.4
119.04939	20.2
120.04461	1.0
122.05177	0.4
122.06030	13.4
123.04398	0.6
123.06811	1.5
124.07586	10.6
124.08425	0.9
134.06012	9.1
135.04419	0.8
136.07574	47.0
137.06003	0.6
137.07944	1.1
138.09091	0.6
140.07039	3.3
141.09151	1.1
141.12758	0.7
142.09470	1.0
143.10684	4.3
146.06001	7.1
147.04407	100.0
148.04753	2.5
150.05479	4.7
152.07065	58.0
153.07390	1.8
158.08138	1.4
164.07063	66.7
165.07420	1.8
166.08690	1.3
168.06566	2.4
170.08131	10.2
177.05489	2.3
178.07124	1.1
178.08636	16.9
182.08131	20.1
184.09602	0.7
190.08739	0.7
196.09676	5.4
200.10789	0.7
210.11266	4.8
214.12245	1.4
232.13300	1.6
260.12866	3.8
279.09753	0.9
280.08038	4.2
285.12195	1.6
285.15161	0.7
293.14838	0.9
303.13385	31.8
304.13727	1.5
308.11255	0.8
318.92145	0.6
321.14444	10.9
339.10825	1.7
339.15497	10.0
339.19211	1.8
340.13876	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	339.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
56.05027	1.3
57.03427	2.0
65.03922	1.0
67.05511	0.7
69.03429	1.5
69.37697	3.0
69.37991	0.6
70.02909	0.6
70.06587	1.0
72.04510	1.5
81.03418	0.9
81.07053	0.9
84.04510	16.8
84.08153	7.2
85.02905	45.5
86.06084	1.1
86.09695	1.0
87.04462	1.3
89.03943	0.7
91.05471	4.1
94.17120	0.7
95.01325	3.8
95.08570	0.8
98.97563	2.1
102.05547	15.5
107.04948	1.5
112.03966	1.9
113.02364	2.8
117.03346	0.9
117.05774	0.6
118.06550	12.7
119.04939	7.7
120.08111	1.1
121.06495	1.0
122.05991	0.8
124.07578	1.8
130.05006	97.3
131.05292	1.1
135.04414	2.6
136.07558	1.2
145.02818	0.8
146.06013	27.5
147.04413	39.1
148.04758	0.8
148.07584	0.7
149.06012	1.4
151.03934	1.1
152.07059	1.6
160.07578	0.8
163.03899	11.0
164.07120	4.5
177.05470	1.8
177.07423	1.3
178.08635	80.4
179.09001	1.5
182.08075	1.1
190.08638	1.1
195.06413	0.8
196.09743	1.8
203.03374	6.3
204.10173	1.1
208.08289	0.7
210.11258	100.0
211.11649	3.2
217.09703	0.7
218.05458	0.8
219.06128	0.7
235.10789	0.8
246.05258	0.8
248.09183	1.1
274.97482	1.7
276.08755	0.9
279.04944	0.6
279.09811	3.5
279.13181	1.0
280.08102	1.0
290.10388	1.0
307.13116	0.9
307.16446	1.0
308.11319	2.7
322.12891	4.9
339.11432	1.5
339.15543	38.7
339.19144	3.8
340.13828	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	339.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98899	0.3
53.03946	0.3
55.05513	3.3
56.96550	0.3
57.03435	1.7
57.07066	2.1
57.24009	0.3
67.05510	3.8
68.05842	0.4
69.07069	5.0
69.69548	0.6
69.69942	0.5
71.04947	0.3
71.08624	0.9
79.05490	1.3
81.07058	3.9
83.04950	0.3
83.08620	2.7
85.06557	0.4
88.07611	0.3
91.05480	0.7
93.07056	2.0
95.08601	3.0
96.08935	0.5
97.10163	1.1
98.23373	0.6
98.97581	1.1
99.08074	0.4
105.07021	0.7
107.08591	0.6
107.57484	0.3
109.10165	1.2
111.11724	0.4
116.98636	0.7
119.08627	0.4
121.10149	1.4
123.11706	0.6
125.09692	0.3
131.79964	0.3
135.11668	0.6
149.13277	0.6
191.18242	0.3
198.98921	0.3
229.72568	0.3
265.25095	0.5
274.97525	1.8
283.16843	0.7
292.98438	0.8
297.99213	0.4
338.27609	0.9
338.34198	0.8
339.19061	100.0
339.28592	10.5
340.19397	6.0
340.29056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1909
Annotation	Thiocyanatin C
Peak:m/z	Relative Intensity
50.26066	0.2
55.05496	0.6
57.70781	0.2
59.89167	0.3
67.05505	0.8
69.07063	0.5
79.05499	0.4
81.07058	1.0
83.08604	0.2
84.90070	0.2
91.05468	0.5
93.07053	0.3
95.08606	0.9
98.97611	0.5
103.98505	0.3
105.07045	0.2
107.08598	0.4
109.06490	0.3
109.96684	0.2
111.08115	0.2
113.09705	0.2
126.74702	0.2
135.11734	0.2
179.14342	0.5
181.15866	0.2
201.08678	0.2
210.13171	0.2
215.11450	0.2
217.08112	0.6
260.47977	0.3
274.97556	0.9
275.23502	0.3
292.98352	0.4
303.23203	0.9
321.24173	1.9
333.40707	0.2
339.19067	100.0
340.19382	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	339.1908
Annotation	Thiocyanatin C
Peak:m/z	Relative Intensity
50.16005	0.4
54.47036	0.4
62.98259	6.7
69.71209	0.5
69.71574	1.1
73.80500	0.3
75.13782	0.3
76.75947	0.4
76.99250	0.3
90.96667	0.4
98.97575	0.5
105.06977	0.5
131.01903	0.4
168.48010	0.4
177.23059	0.4
217.08192	1.0
248.21274	0.4
254.93619	0.4
282.10574	0.3
299.18576	0.7
317.19696	2.2
321.18015	7.6
322.18347	0.8
335.20551	0.5
339.19058	100.0
340.19342	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	339.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.4
56.05031	3.8
56.96566	0.8
57.03453	0.5
57.07071	0.8
67.05501	4.8
69.07062	1.8
71.05009	0.4
74.02416	0.7
82.06564	0.4
83.04987	0.6
84.04486	0.7
84.08141	100.0
85.02892	1.8
85.06546	3.0
85.08477	1.5
86.09705	8.3
91.05475	1.4
95.04957	0.7
97.06525	0.6
98.97565	5.0
107.04982	0.6
111.37332	0.4
114.57695	0.4
116.98637	2.8
118.06539	3.4
119.04926	1.0
124.07547	0.4
125.06000	1.0
125.93848	0.4
130.05028	2.5
130.08636	15.8
134.99661	0.8
135.04436	0.5
136.07552	1.0
143.07042	1.2
146.06003	10.2
147.04402	5.7
148.07599	0.4
161.08095	0.6
163.03925	0.9
164.07018	0.6
165.07935	0.7
170.79417	0.4
178.08621	33.5
179.08945	1.0
180.10287	0.5
180.97836	1.2
198.98892	1.1
207.11269	0.9
210.11247	44.2
211.11578	1.4
229.13290	1.1
233.12877	0.7
256.96298	0.8
257.12814	1.0
262.14520	0.6
266.01978	0.5
274.97485	6.6
275.13901	1.0
280.08237	0.7
292.98605	3.0
294.17007	9.2
303.13461	1.3
321.14429	3.7
338.96756	1.2
339.15427	9.4
339.19119	70.6
340.13681	2.3
340.19830	3.9
343.08505	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.5
55.01869	30.5
55.05513	38.3
55.98499	3.2
57.03439	33.0
64.81813	2.8
65.03942	5.9
67.05155	5.4
67.05503	84.5
69.03410	6.5
69.07067	28.6
69.84401	6.7
69.84758	5.7
71.01308	3.7
71.04996	3.2
79.05043	4.8
79.05489	74.5
81.03415	13.9
81.07053	81.4
82.07379	7.4
83.04977	38.0
83.08614	9.1
85.06526	7.4
91.05483	70.1
92.05776	2.9
93.07048	66.1
95.04974	73.5
95.08607	43.9
96.08847	2.9
97.02865	9.1
97.06522	15.6
97.10175	6.8
98.07309	8.2
98.97561	11.0
103.05485	3.9
105.07022	49.3
107.04953	100.0
107.08589	26.7
108.05730	5.1
109.06521	45.7
109.10152	21.8
110.07362	3.9
111.04433	6.6
111.08069	9.4
112.05211	10.8
113.05989	11.7
115.05407	4.7
116.98587	6.6
117.07019	36.2
119.04935	3.8
119.08570	27.9
120.05726	4.6
121.06518	20.3
121.10116	16.2
122.07294	20.5
123.04413	12.8
123.08038	13.1
123.11714	4.4
125.05971	5.2
128.06180	5.9
129.06992	16.3
131.08571	36.5
133.06541	18.5
133.10110	22.0
135.08023	25.8
135.11664	11.6
137.09593	10.2
141.06958	6.4
142.07883	3.2
143.08556	12.4
145.06471	22.1
145.10118	21.2
146.03217	3.2
147.08038	34.7
147.11713	9.1
148.08929	3.8
149.09595	8.3
149.13257	8.7
151.07542	6.1
151.11180	5.7
155.08531	7.2
157.10040	5.2
159.08038	4.6
159.11687	10.2
161.09596	23.1
161.13237	7.2
162.18056	2.6
163.11172	12.7
165.09120	14.6
169.10112	8.6
170.46159	3.0
171.11649	16.1
173.09541	3.9
173.13260	13.4
175.11125	4.6
177.12761	9.0
177.96100	3.4
187.11188	3.5
187.14806	10.1
189.12640	6.5
197.13216	9.4
203.14241	8.3
205.15863	9.4
215.14323	14.2
233.15361	93.6
234.15846	3.5
265.17953	53.9
273.18439	20.1
274.97433	17.0
289.17944	5.5
290.18671	14.9
292.98456	10.0
304.20291	6.2
305.20993	12.5
338.27731	4.7
339.18564	21.1
339.27927	24.6
352.34479	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	340.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
57.03434	2.9
59.04995	1.3
69.78464	1.0
71.01349	1.6
73.02876	0.4
83.55554	0.3
85.02905	51.8
85.06534	0.4
86.03244	0.8
91.05482	2.5
95.01328	0.9
103.03922	0.5
113.02361	1.7
117.05781	1.4
118.06544	6.5
120.04493	0.5
120.08096	0.5
122.70163	0.4
123.04379	0.4
131.03392	2.6
134.09671	3.0
136.07570	0.8
137.05997	0.5
143.10739	0.5
146.06010	26.2
147.06297	0.7
152.07054	1.0
164.07068	5.2
165.07866	0.5
178.08629	63.3
179.03397	18.4
179.04979	0.8
179.08951	2.9
180.10152	0.6
182.08084	1.7
190.08589	0.7
193.12411	0.4
206.19310	0.5
210.11250	20.8
211.11581	0.7
234.07608	1.5
236.09267	1.1
266.06610	0.7
280.08173	12.2
281.08835	0.9
282.09781	0.5
295.10443	0.5
298.09216	1.4
308.11264	6.5
309.11368	0.5
310.09448	0.5
310.13010	0.4
312.10754	0.5
322.12827	0.6
340.13901	100.0
341.14209	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	340.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41811	0.4
57.03438	2.8
64.28020	0.3
67.04669	0.4
69.03426	0.4
70.34702	0.9
71.01365	1.0
71.05017	0.4
84.04506	0.8
84.08147	0.6
85.02906	43.6
86.03235	1.0
89.93342	0.4
91.05479	1.5
102.05560	0.9
103.03935	0.5
109.02838	0.4
113.02382	1.4
113.40231	0.3
117.05718	0.8
118.06546	28.1
119.07327	0.6
120.08086	0.5
122.83860	0.4
123.04429	2.3
130.05014	4.9
131.03424	2.3
131.05353	1.8
133.02864	1.3
135.04402	0.5
137.85590	0.3
139.10945	0.4
143.10683	1.5
146.06006	14.4
146.07169	0.8
147.04410	1.3
147.06389	1.3
148.04778	1.1
148.06113	0.3
151.03891	0.8
163.03908	0.7
163.06329	0.4
164.04269	0.5
164.07068	1.1
177.00687	0.5
178.08630	53.6
179.03398	22.5
179.05016	0.7
179.08974	3.8
188.07100	0.4
193.65532	0.4
204.10222	0.4
205.66930	0.3
207.07639	0.4
210.11249	16.0
211.11624	5.1
218.08128	0.5
248.09096	2.7
253.33702	0.4
276.08688	0.8
280.08191	1.5
290.10336	0.6
308.11285	9.5
323.12589	1.2
340.13837	100.0
341.08521	0.7
341.14740	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	340.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	1.0
55.01867	3.1
55.05509	24.6
57.03429	1.1
65.03941	0.8
67.05502	4.5
69.03433	5.7
69.07064	4.0
71.04987	2.1
75.53938	0.8
79.05492	6.2
81.07044	6.7
83.08619	20.8
85.02906	7.1
91.05486	2.5
91.93875	0.9
93.07060	5.0
94.04218	1.0
95.04958	1.5
97.02911	1.8
97.10173	44.7
98.10493	1.6
99.04473	1.5
101.06004	1.1
101.09650	1.5
103.05468	1.0
104.67599	1.0
105.07034	2.3
107.04951	2.0
107.08601	8.5
109.02879	1.2
109.36238	0.9
115.05414	1.4
121.10131	4.2
122.03638	2.9
125.06030	0.8
125.09634	59.7
126.10004	1.9
129.07014	3.9
131.04916	1.9
135.04430	1.5
137.05978	49.6
143.10674	100.0
144.05717	1.4
144.10970	3.7
146.06036	1.2
147.04448	0.9
149.05989	0.9
151.07588	2.3
157.06493	3.7
160.05215	1.3
161.05988	4.2
161.11726	11.4
163.07471	1.3
164.07089	2.2
165.05466	1.5
171.07924	1.0
172.05231	2.7
174.06805	4.4
175.07573	6.4
177.05412	1.0
179.07042	1.0
185.06015	1.1
187.07527	16.3
189.09111	5.3
191.08571	2.1
192.09605	1.0
199.07460	1.9
202.07773	2.1
203.08609	5.2
209.46837	0.8
211.07530	1.8
217.08577	8.6
218.07373	0.8
219.08064	5.4
220.08842	1.6
227.07085	2.4
231.08028	6.5
233.09679	1.0
235.07571	0.9
236.08426	1.1
237.09132	1.2
239.07004	1.6
245.09572	0.9
247.07414	4.2
248.08324	6.3
250.30713	1.0
251.10751	2.6
253.08667	1.4
255.06540	3.1
259.07614	2.7
260.08365	1.2
261.09195	1.3
263.08063	1.0
263.10645	7.5
264.07687	1.6
265.08530	2.3
270.08868	4.5
271.09570	4.4
276.07776	3.9
277.08594	1.2
279.10114	5.0
280.11606	2.7
281.12396	1.4
283.09818	1.4
291.10211	15.5
293.08105	2.5
296.10394	2.8
297.11414	1.6
308.10287	2.4
309.11279	2.4
311.12811	6.8
323.12753	17.8
339.63739	0.9
340.13931	2.0
341.13843	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	340.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16233	4.8
55.05521	11.4
57.07063	4.8
67.05505	19.6
69.07055	14.8
69.23888	24.6
71.08621	10.2
79.05492	14.4
81.07069	31.6
83.08620	8.4
91.05476	23.1
93.07042	20.6
95.08570	26.3
96.55647	4.4
97.06557	6.4
98.23465	8.0
98.97614	6.3
99.08062	9.6
105.07034	22.0
106.37280	5.1
107.08573	25.2
109.06542	10.6
109.10162	23.1
113.78116	4.4
116.98611	7.4
118.37035	4.6
119.08536	7.5
121.10114	11.4
122.78714	4.6
123.08061	7.5
131.08572	10.3
133.06523	5.9
133.10152	32.2
135.11624	6.7
151.11182	22.1
165.12755	8.1
169.12181	8.8
175.11089	6.9
176.88742	4.9
184.12456	4.7
199.03941	4.6
215.12820	6.6
224.20114	10.1
273.18527	9.1
275.97845	6.1
283.16977	6.5
284.17160	30.2
287.20178	6.9
291.19495	13.8
291.23221	18.7
305.21124	35.1
322.27374	100.0
323.22000	5.3
323.27771	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	340.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62245	15.4
60.05225	14.8
62.06093	60.0
67.05506	63.1
69.07081	19.0
70.73628	21.2
73.06567	16.8
79.05480	22.2
81.07053	51.6
83.08630	22.9
83.59534	13.3
89.58241	15.4
91.05502	35.5
93.07067	26.0
95.08628	18.9
105.07020	23.0
107.08602	32.4
109.10159	54.8
123.11774	16.3
133.10152	93.5
151.11220	100.0
161.82455	14.7
169.12206	34.5
227.06740	19.8
291.19476	39.9
317.19476	30.2
322.27417	15.5
340.19348	55.8
340.28427	22.7
358.68390	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0869
Annotation	AESCULIN
Peak:m/z	Relative Intensity
53.03944	0.2
55.01878	0.3
56.47903	0.2
57.03437	0.3
59.04986	0.2
59.21160	0.2
64.32018	0.1
67.01854	0.3
68.99786	0.6
69.03431	1.0
69.69805	0.5
69.70139	0.2
71.01344	0.2
71.04971	0.2
79.05498	0.2
81.03416	1.0
81.07061	0.4
83.04010	0.2
85.02912	1.2
85.06525	0.2
91.01828	0.2
93.07027	0.2
95.04959	0.2
97.02888	0.4
99.04446	0.3
105.03391	0.2
105.07029	0.5
109.02848	0.2
109.06502	0.5
111.04452	0.6
117.09109	0.3
122.71548	0.2
123.04427	0.6
127.03925	0.4
131.04933	0.2
131.58571	0.2
133.02858	1.8
133.06584	0.2
133.07578	0.2
135.04442	0.4
137.02327	0.3
137.06003	0.9
151.03955	0.3
151.07523	0.4
152.07182	0.2
155.03374	0.5
161.02333	0.3
161.07133	0.3
163.08755	0.2
164.07076	0.4
165.07428	0.3
167.00104	0.2
177.05530	0.2
179.03391	100.0
180.02258	0.3
180.03734	3.2
187.07458	0.2
189.06686	0.2
191.08131	0.2
197.08060	0.3
207.07648	3.2
281.08328	0.8
291.10107	0.3
323.12234	1.2
335.58273	0.2
341.14191	1.7
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	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.01869	0.3
56.96552	0.2
57.03426	0.6
61.02913	0.4
62.71007	0.2
67.05495	0.2
69.03432	2.0
69.54350	0.3
69.54745	0.4
69.88634	0.2
71.04993	0.4
73.02923	0.2
75.30415	0.1
77.03922	0.3
79.05476	0.5
81.03406	0.8
81.07060	1.3
85.02404	0.3
85.02905	6.0
86.03236	0.8
87.04456	0.2
89.03913	0.5
91.05449	0.3
92.27507	0.1
93.07035	0.3
95.04961	0.3
97.02891	1.7
99.04453	0.2
99.08089	0.3
105.03397	0.3
105.07013	0.5
107.04961	0.3
109.02867	0.7
109.06519	1.1
113.11129	0.2
117.03382	0.3
117.09119	2.0
118.06567	0.2
123.04431	9.1
123.08064	0.3
124.04638	0.2
127.03932	0.8
127.07534	0.7
131.03363	0.2
131.04951	0.3
133.02853	8.2
133.06477	0.3
135.04395	1.6
137.05969	1.4
145.04944	0.7
146.06023	0.7
147.04471	0.3
147.06352	0.7
151.03909	3.5
151.07516	1.1
152.04198	0.2
161.06010	0.5
162.05376	0.2
163.07593	0.2
163.09660	0.5
164.07036	0.2
165.07426	0.2
178.08641	1.4
179.03391	100.0
179.08708	1.9
180.03719	3.2
187.07547	0.5
197.08038	0.7
210.11292	0.5
211.11623	0.6
217.08629	0.4
219.08102	0.2
247.07417	0.2
281.08582	1.1
291.10089	0.2
309.11600	0.4
311.12750	0.2
323.12805	0.3
341.08600	1.4
341.14136	5.5
342.14413	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0868
Annotation	AESCULIN
Peak:m/z	Relative Intensity
50.59005	0.1
53.03944	0.2
54.45995	0.1
57.03432	0.2
61.02919	0.4
69.03437	1.3
69.58556	0.5
69.58893	0.2
71.52436	0.1
77.03936	0.2
81.03403	0.4
84.08122	0.2
85.02907	2.4
89.03911	0.4
95.04982	0.3
95.49918	0.2
97.02886	0.7
105.03412	0.4
105.07062	0.2
109.02864	0.4
109.06433	0.2
117.03385	0.3
123.04428	8.5
124.04724	0.3
127.03891	0.4
133.02850	7.5
133.15514	0.2
135.04401	1.5
137.05971	0.4
142.04865	0.1
144.11015	0.2
145.04933	0.3
147.04413	0.2
151.03909	3.2
178.08600	0.2
179.03387	100.0
180.03731	3.8
341.08615	1.9
341.12173	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
55.05527	0.1
57.03431	0.4
59.70779	0.2
62.76209	0.1
67.01890	0.2
68.99788	0.7
69.03434	0.9
69.90143	0.5
70.26664	0.2
71.01352	0.2
71.04981	0.4
73.02883	0.1
78.33266	0.2
79.05466	0.3
81.03411	0.8
81.07062	0.9
85.02909	1.8
86.03217	0.2
87.74233	0.2
93.07000	0.2
95.04972	0.5
95.59925	0.2
97.02890	0.3
99.04438	0.2
99.08091	0.4
105.07019	0.4
107.04933	0.3
107.08572	0.2
109.02878	0.3
109.06520	1.0
111.04450	0.7
111.08070	0.1
114.86248	0.2
115.36888	0.2
117.09120	1.9
123.04418	0.4
123.08088	0.2
127.03927	0.5
127.07542	1.0
133.02878	0.6
133.06512	0.2
135.04373	0.3
137.02280	0.4
137.05992	1.8
146.06061	0.3
147.06358	0.4
151.03935	0.3
151.07533	0.5
153.05502	0.2
155.03391	0.3
161.02414	0.2
163.09671	0.7
164.07045	0.4
165.07419	0.3
177.05429	0.2
178.08612	0.5
179.03387	100.0
180.03728	3.1
181.12434	0.2
187.07561	0.7
189.09029	0.3
197.08032	0.5
203.08582	0.2
207.07639	2.1
210.11188	0.3
211.11548	0.3
215.05544	0.2
217.08611	0.3
219.07947	0.2
235.07867	0.2
276.08084	0.2
279.10110	0.2
281.08499	1.3
284.09760	0.2
291.10092	0.7
311.12744	0.3
323.12482	1.2
341.14542	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	341.1232
Annotation	Juglanoside C
Peak:m/z	Relative Intensity
50.78672	0.6
51.02397	0.7
53.03942	6.3
55.01869	5.6
55.05507	5.1
57.03441	17.0
58.82885	0.6
61.02926	1.5
65.03941	1.3
67.05508	5.4
69.03429	69.7
69.07077	0.8
70.03768	0.9
70.60257	0.9
71.01355	8.8
71.04989	5.8
72.42970	0.6
73.02915	2.8
77.03945	1.0
79.05499	12.4
80.88916	0.5
81.03419	21.8
81.07057	76.4
82.07392	1.0
83.01337	1.5
83.04985	6.5
83.08624	1.6
85.02906	27.2
87.04462	1.7
88.12623	0.5
89.02386	0.8
91.05484	8.1
93.07044	23.5
94.04182	0.9
94.07365	0.9
95.01289	1.0
95.04977	7.1
95.08605	16.6
97.02893	24.4
97.06529	2.0
99.00778	0.8
99.04462	13.9
101.06027	1.8
103.05475	2.8
105.04519	0.7
105.07030	29.3
106.07377	0.7
107.04963	4.3
107.08594	4.9
108.05737	1.4
109.02883	6.8
109.06519	100.0
109.10132	1.2
110.06848	1.4
111.04440	1.0
111.08092	2.9
113.02385	0.6
115.03938	4.0
115.05451	2.3
117.07030	1.4
119.04940	1.3
119.06048	1.1
121.02969	0.8
121.06494	5.5
121.10161	0.7
123.04415	0.9
123.08067	17.5
124.08366	0.7
125.06002	1.2
127.03917	31.7
127.07561	0.7
129.05472	1.1
131.08574	0.7
133.06490	34.3
134.06856	1.3
135.04410	2.5
135.08047	3.9
137.05972	32.1
138.06343	0.7
139.11171	1.0
145.04958	5.5
149.05981	5.1
151.07542	80.5
152.07855	2.2
153.05490	1.6
153.09096	1.5
155.07040	1.6
161.05978	25.7
167.07001	3.0
169.08609	1.7
175.07513	0.8
177.05475	1.4
179.07031	64.6
180.07332	2.1
181.12225	1.9
187.07552	1.4
195.06529	1.1
197.08086	60.8
198.08435	1.6
203.07021	0.7
209.15411	2.0
215.05461	1.9
241.07074	3.5
273.74637	0.6
274.38593	0.7
323.11337	2.5
341.12384	12.5
341.19214	1.4
342.12872	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
53.03930	1.2
53.78347	0.9
55.01879	1.4
55.05507	2.4
65.03954	1.3
67.05505	1.4
69.03419	1.6
70.62591	1.7
76.42683	1.3
77.03954	1.2
79.05489	12.8
81.03406	1.2
81.07069	3.0
85.02916	1.6
91.05486	12.5
93.07044	19.9
94.04190	2.8
94.07387	1.2
95.04973	3.7
97.10163	2.0
103.05450	6.0
105.04538	1.6
105.07017	11.6
107.04960	4.1
107.08590	7.9
109.02872	2.4
109.06508	4.9
111.04454	1.4
111.08083	2.2
115.05473	4.7
115.45001	1.0
117.07028	1.3
119.04916	6.5
119.08607	2.4
121.06509	2.5
121.10154	16.2
122.03651	7.7
123.11717	1.1
125.09635	2.3
127.03947	1.3
128.03053	1.0
128.06200	2.2
129.07008	7.7
130.04156	1.3
131.04942	8.9
131.08575	2.1
132.05733	1.5
133.02844	1.4
133.06509	7.9
135.04407	2.1
135.08018	1.3
137.05983	100.0
138.06311	1.5
143.10649	3.7
144.05708	2.9
144.11046	1.5
145.06534	1.9
146.06119	1.7
146.07275	2.0
147.04393	6.7
147.08009	2.8
149.05992	4.4
149.09579	1.4
151.03911	1.5
151.07538	6.9
157.06534	4.3
159.08078	3.1
160.05261	4.2
161.05972	19.6
162.06682	2.3
163.07562	5.8
165.05525	2.1
167.07083	1.6
167.10707	2.2
172.05205	6.1
174.06793	7.0
175.07568	23.1
177.05559	2.6
177.09109	1.3
179.06985	5.3
187.07542	31.0
188.08159	1.7
189.09116	8.4
190.07841	1.5
191.07060	1.7
191.08578	6.3
193.10365	1.2
199.07564	4.0
202.07845	3.2
203.08536	9.9
205.06609	2.5
211.07542	2.7
217.08627	13.6
218.07297	3.4
219.08023	10.6
220.08752	3.5
221.09503	2.0
227.07024	3.5
231.08035	13.7
232.08795	3.9
236.08353	1.9
237.09065	3.1
239.07011	3.1
240.07788	2.3
247.07579	7.1
248.08333	12.5
249.09099	2.8
251.10715	8.1
253.08691	2.0
255.06580	4.6
256.07306	1.2
259.07602	6.3
260.08356	1.7
261.09039	2.5
263.10706	12.5
264.07858	2.8
265.08612	5.6
270.08902	4.4
271.09644	5.8
276.07822	4.8
277.08578	4.8
279.10147	12.3
280.10934	2.0
281.08212	2.3
281.11575	2.5
283.09741	2.5
291.10132	22.5
292.10703	2.2
293.08224	1.8
295.09607	1.5
296.10431	4.8
308.10461	2.9
309.11206	16.8
311.12744	13.4
323.12741	21.0
334.48990	1.2
338.43771	1.2
341.10175	1.5
341.13910	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	341.1385
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01870	1.5
69.03425	1.3
69.18633	6.7
71.04996	2.2
72.51733	0.9
77.28040	1.0
79.05496	3.4
81.07068	2.6
83.21429	1.1
85.02898	3.1
87.02713	1.2
91.05486	3.9
93.07023	5.5
94.04166	2.6
95.04981	1.5
96.38793	1.2
98.23516	1.9
99.86726	1.2
103.05463	2.2
105.07020	1.8
107.04951	1.9
107.08610	1.3
109.06519	2.7
119.04975	1.4
121.10119	5.2
122.03637	7.8
126.98548	1.0
128.06221	2.2
129.06999	9.2
131.04944	4.0
133.03084	2.5
134.03610	1.3
135.04425	2.0
137.05974	100.0
138.06332	1.8
144.05707	2.7
147.04370	2.4
149.05965	3.4
151.03960	2.1
151.07568	4.1
153.05443	1.1
157.06494	7.3
159.08026	1.2
160.05211	3.4
161.05965	2.6
163.07570	3.5
165.05495	2.3
167.07027	3.8
167.10596	1.2
172.05182	6.9
174.06754	9.5
175.07552	10.1
179.03354	1.7
179.06984	2.5
185.05974	1.9
187.07539	33.6
188.08141	1.4
189.09099	11.5
190.07860	1.3
191.06960	1.5
191.08543	4.3
199.07594	3.8
202.07770	3.9
203.08508	10.4
205.06516	2.7
211.07565	4.7
217.08589	21.7
218.07381	1.9
219.07996	11.9
220.08827	5.5
221.09477	1.5
225.09010	1.4
227.07033	3.6
231.08029	12.8
232.08646	2.0
233.06078	2.6
233.09561	2.4
235.07556	2.3
236.08420	3.2
237.09132	2.9
239.06984	4.9
240.07733	2.1
247.07553	9.0
248.08319	14.3
249.05466	1.8
249.09000	2.9
251.10632	5.9
253.08658	1.4
255.06496	4.5
256.07294	1.3
259.07571	8.8
260.08340	1.7
261.09091	2.4
262.06219	1.3
262.09744	1.1
263.07690	1.7
263.10703	14.6
264.07770	3.0
265.08572	4.4
266.09598	1.4
268.07361	1.8
270.08847	10.7
271.09665	9.4
276.07736	6.1
276.97961	1.2
277.08554	3.8
279.10089	12.9
280.10803	2.3
281.08130	2.9
281.11914	3.4
283.09793	2.1
291.10138	33.1
292.10779	3.3
293.07968	3.9
295.09677	1.6
296.10452	8.0
297.11118	1.2
305.11591	1.6
308.10568	5.1
309.11185	2.9
311.12726	13.5
313.10809	1.4
313.14294	1.3
323.12756	36.9
324.13077	3.1
341.13763	27.2
342.13940	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	341.1387
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.03945	1.1
54.68279	0.7
65.03950	0.8
69.03423	0.9
69.44521	3.2
71.04980	0.7
76.12173	0.7
79.05486	2.3
81.07041	2.3
84.08157	1.5
85.02905	1.6
91.05467	3.3
92.72069	0.7
93.07037	1.4
94.04202	3.0
95.04974	1.9
97.02908	0.9
98.22653	1.2
103.05475	1.5
105.07056	1.6
107.04959	2.4
107.08601	1.6
109.02927	0.7
109.06528	3.9
115.05412	1.3
119.04964	1.0
121.06517	1.2
122.03632	6.5
123.08003	0.7
128.06210	2.4
129.07005	8.8
131.04912	1.9
131.08580	0.8
133.02887	1.8
133.06477	1.9
135.04404	1.1
137.05975	100.0
138.06300	2.6
141.06992	0.9
143.04933	1.0
143.08522	1.6
144.05725	2.1
145.06508	0.7
147.04405	1.7
149.06056	1.8
151.03857	1.9
151.07570	4.1
153.05429	1.7
157.06493	7.7
158.07237	1.3
159.08075	1.3
160.05208	1.9
161.05934	2.3
163.07553	2.3
165.05449	2.0
165.06873	0.7
167.07066	1.4
171.08026	1.3
172.05183	6.2
174.06763	9.9
175.07535	9.4
177.05453	1.6
177.09077	0.9
179.03438	0.9
179.07056	2.7
182.01952	0.7
187.07539	34.6
188.08116	1.7
189.09100	12.5
190.07748	1.4
190.09453	1.2
191.08577	2.8
192.09071	1.1
196.05159	1.7
197.06035	0.7
197.07874	0.7
199.07549	5.5
202.07755	2.6
203.08543	9.7
205.06514	1.3
207.07951	1.1
208.08908	1.0
211.07523	4.9
217.08591	20.2
218.07234	1.9
219.08046	10.6
220.08723	5.0
221.06007	1.7
221.09683	1.5
222.06744	1.1
225.09193	0.7
227.07019	3.8
230.07260	0.8
231.08029	13.7
232.08636	2.7
233.06128	0.9
233.09470	1.2
234.06615	1.2
235.07544	2.6
236.08334	2.8
237.09106	2.6
239.07109	4.0
240.07823	2.1
245.09641	1.0
247.07509	7.7
248.08325	12.9
249.09148	2.3
250.06223	1.3
251.10678	5.1
253.08551	1.6
255.06554	4.6
256.07193	1.0
259.07526	6.3
260.08313	2.4
261.09134	2.6
262.09637	0.8
263.07544	1.4
263.10648	14.6
264.07834	3.9
264.10574	0.9
265.08624	4.0
266.09326	0.8
270.08792	6.4
271.09659	8.4
276.07788	8.4
277.08594	3.9
279.10165	13.3
280.07397	1.1
280.10818	2.1
281.08023	2.5
281.11575	1.3
282.08798	0.9
283.09644	3.0
291.10156	31.8
292.10641	2.5
293.08154	4.3
296.10428	7.6
297.11133	2.6
305.11804	1.2
307.09750	0.8
308.10452	3.4
309.11295	1.1
311.12775	15.2
323.08932	1.6
323.12766	33.5
324.13074	1.5
341.13828	18.2
342.13928	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.0
51.09644	0.6
53.03934	1.9
55.01872	1.1
55.05510	3.8
56.96545	0.9
57.03430	2.6
65.03941	1.0
67.05501	3.9
69.03423	2.2
69.03835	0.7
70.98091	0.7
71.45387	0.8
75.04478	5.8
75.78721	0.6
77.03928	2.8
79.05492	38.6
81.03378	0.8
81.07056	2.5
83.04971	2.3
83.59646	0.8
85.02913	1.1
86.09720	1.4
91.05477	15.0
93.07042	97.4
94.07379	2.6
95.04971	8.0
98.97601	0.7
103.05455	2.1
105.04510	2.7
105.07029	10.5
107.08595	32.0
108.08901	1.5
109.06499	1.3
111.04433	2.6
111.08093	4.2
119.08578	1.7
121.10145	100.0
122.03672	1.0
122.10477	4.2
123.08065	1.2
123.11729	1.5
129.05469	1.3
129.06985	0.9
131.04886	1.0
131.08566	2.6
137.05968	9.0
139.03824	0.9
139.11240	1.0
147.04405	1.5
147.63667	0.7
149.09613	9.4
161.06023	1.9
163.07498	1.3
167.10675	19.6
174.06598	0.9
175.07533	1.0
179.03412	3.9
187.07582	3.3
189.09128	0.9
192.01926	0.8
203.02289	1.5
203.10602	0.7
217.08606	1.6
231.08136	0.9
265.08884	0.7
279.10132	1.0
291.10104	1.9
311.12662	1.0
323.12469	0.9
341.14563	2.3
342.15341	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1938
Annotation	Pentamidine
Peak:m/z	Relative Intensity
52.01651	0.6
55.01909	0.6
55.05502	1.7
57.03411	1.0
61.04793	0.6
63.56291	0.7
67.05507	1.8
69.03424	0.9
69.07069	2.3
69.78549	2.8
71.04977	0.6
79.05503	1.9
80.85419	0.6
81.07056	3.4
82.52824	0.7
83.04980	1.1
83.08621	1.0
83.33829	0.7
84.08155	1.0
85.02932	0.8
91.05482	2.2
92.23914	0.9
93.07043	2.1
93.51910	0.7
93.97377	0.8
95.04974	2.6
95.08617	2.2
97.06555	1.7
105.07030	2.2
107.04974	2.0
107.08577	1.1
109.06524	1.1
109.10175	1.9
116.98603	0.6
117.38020	0.6
119.08626	1.4
121.10148	1.6
123.04466	0.8
123.08046	1.2
123.11659	0.7
123.87732	0.7
128.06261	0.9
129.07028	1.0
131.08536	1.2
133.10167	0.9
135.11722	1.1
137.05978	3.7
137.09636	0.9
138.16986	0.7
139.98755	0.7
143.08556	1.6
147.04338	0.8
147.11748	1.0
149.02296	0.8
157.10196	0.8
159.08043	0.9
163.03854	0.7
166.21434	0.7
171.08023	1.4
175.07631	1.2
177.16467	1.0
178.55008	0.7
179.03374	3.3
181.10265	0.8
187.07593	1.6
210.02057	1.1
211.07603	0.7
217.08414	0.8
251.02222	0.8
281.11646	1.1
291.78854	0.7
311.09119	0.7
323.12863	1.2
341.19373	100.0
342.19690	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	341.196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	16.5
55.05513	23.0
57.03438	31.6
57.07064	4.6
59.04999	6.3
59.55827	1.8
61.02924	14.5
63.71205	2.1
67.05506	10.9
69.03429	84.9
69.07062	10.6
69.45059	3.4
69.45451	4.8
71.04993	4.5
73.02913	8.3
75.04514	2.2
79.05483	14.4
81.03425	5.8
81.07057	33.0
83.04977	91.2
83.08617	36.9
84.05318	2.1
85.02899	61.6
85.06528	2.0
85.85882	1.9
87.04465	44.7
91.03950	13.6
91.05464	9.1
93.07056	17.6
95.04958	17.8
95.08607	20.5
97.02886	47.3
97.06538	17.8
97.10194	2.3
99.04447	3.9
105.07007	13.0
107.04981	4.5
107.08597	28.5
109.02923	1.9
109.06530	17.4
109.10160	16.4
111.04440	4.8
111.08066	28.0
113.06006	2.5
113.09669	5.6
115.03926	32.0
117.06995	4.5
119.08582	6.0
121.06522	8.6
121.10136	18.6
123.04434	2.8
123.08052	21.8
123.11732	4.9
125.06002	15.8
125.09643	11.5
127.03938	9.0
127.07594	1.7
127.11201	6.8
128.05310	1.6
131.04950	1.9
131.08626	3.8
133.04979	16.9
133.06468	4.3
133.10147	5.7
135.04420	2.6
135.08095	4.9
135.11716	3.0
137.05974	17.5
137.09544	2.1
139.07536	2.6
139.11168	45.5
145.06454	1.9
145.10139	6.0
147.08038	2.9
147.11688	5.5
149.05956	4.8
149.09619	7.4
149.13274	9.1
151.07533	9.2
151.11186	20.0
153.05440	1.9
153.09123	7.6
155.07010	3.7
155.10649	8.4
157.10202	2.9
159.11705	2.2
161.05969	3.4
163.07590	2.7
163.11176	3.1
165.12650	2.6
167.07001	3.6
167.14331	23.5
169.12228	25.7
171.10173	4.1
173.08096	6.6
173.09421	2.2
173.13319	2.5
175.06105	4.8
175.07533	3.0
175.11230	3.3
179.07043	12.4
181.12222	100.0
182.12483	3.5
183.54568	1.7
189.12849	2.2
191.14320	6.9
195.10112	2.8
197.08118	12.7
203.10756	2.6
207.14114	2.3
209.15358	38.2
210.15704	2.1
215.09109	2.2
215.14334	3.0
217.12263	2.5
221.15306	3.0
233.15363	13.3
240.92789	1.8
249.98347	2.0
251.16501	3.0
262.13736	1.9
275.16547	2.7
287.16479	4.0
305.17505	13.8
323.18503	12.8
341.13776	2.7
341.15240	3.4
341.19592	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	341.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13902	0.3
55.05513	0.4
62.97931	0.7
62.98260	13.0
67.05495	1.3
69.07068	0.5
69.59389	1.2
69.59770	0.5
73.84837	0.3
81.07049	1.0
83.08623	0.4
91.05482	0.6
93.07051	0.8
95.08602	0.6
98.23468	0.6
105.07014	0.6
107.08582	0.5
109.10131	0.4
147.11661	0.5
154.76746	0.3
171.49649	0.3
315.45239	0.4
319.21057	1.9
323.19577	10.4
337.22397	1.7
339.10733	0.3
341.20621	100.0
342.20932	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	341.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92237	0.4
55.05496	0.6
57.07056	0.8
67.05500	1.0
69.07053	0.9
69.64639	0.9
81.07060	0.9
81.27843	0.4
85.02873	0.5
93.07048	1.0
95.08596	0.8
107.08575	0.4
109.10133	0.5
130.19524	0.5
133.10217	0.5
167.90364	0.4
180.98099	0.4
217.08214	0.9
219.16122	0.4
224.68845	0.4
225.89270	0.5
250.01714	0.4
313.08566	0.5
323.25769	0.7
340.39343	0.6
341.20624	100.0
341.26367	2.8
342.20911	5.8
342.37344	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68720	0.9
55.01849	2.0
55.05510	12.0
57.03448	0.9
57.07079	4.8
65.03947	1.7
65.75078	0.9
67.05498	15.6
69.03431	5.1
69.07061	6.1
69.65675	3.0
71.04988	2.6
71.08628	12.7
79.05486	14.0
81.03437	0.9
81.07045	21.3
83.04976	4.2
83.08605	2.0
85.02879	1.1
85.06540	2.6
88.30303	1.0
91.05470	11.5
92.05849	0.9
93.07040	26.0
95.04964	6.9
95.08598	12.2
96.05746	4.1
97.02888	16.0
97.06524	6.8
97.10165	1.7
98.22785	1.3
98.97615	1.4
99.04408	1.2
99.08096	8.0
101.32070	1.0
103.05447	1.0
104.22420	0.9
105.07027	8.7
107.04928	2.1
107.08563	6.4
109.06527	6.3
109.10156	4.2
111.04436	16.0
111.08099	2.0
113.06009	3.7
119.08591	5.2
121.06492	15.2
121.10138	13.9
123.04448	5.4
123.08059	5.0
123.11697	2.8
123.48231	1.0
124.05212	3.5
125.06005	3.2
127.03970	1.2
129.06999	1.0
131.08565	15.8
133.10156	2.9
135.08064	3.3
135.11688	2.3
137.05923	1.8
137.09650	2.1
139.07529	0.9
139.11188	2.5
143.08566	1.0
145.04962	0.9
145.10184	2.0
147.08044	2.5
147.11658	1.8
149.02342	5.8
149.09608	17.3
149.13301	0.9
151.07541	1.2
151.11209	1.4
157.10161	1.1
159.11679	1.4
161.13249	3.2
163.11214	2.9
165.12743	9.2
167.10648	4.7
168.11452	0.9
171.11613	1.0
175.11116	1.5
177.12798	0.9
179.10640	1.1
179.14323	1.9
180.11581	1.0
181.12221	100.0
182.12589	3.2
189.12794	2.3
191.14262	3.0
193.05037	3.2
193.12326	2.0
203.14319	1.2
207.13820	2.9
253.14220	1.6
277.21643	2.1
287.20120	1.2
293.82202	0.9
305.21069	12.0
306.21597	1.7
307.22675	3.9
323.22131	4.1
323.25403	1.1
324.22803	1.3
341.06464	2.8
341.17151	1.0
341.24686	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.01866	15.3
55.05515	27.6
57.03441	16.7
67.05500	22.0
69.03443	3.1
69.07070	6.9
69.09334	2.8
69.70419	6.5
69.70783	6.5
71.05006	4.4
79.05482	25.7
81.03417	12.0
81.07059	36.8
83.01331	13.1
83.04978	26.0
83.08628	24.3
85.02899	5.9
85.06526	4.7
91.05481	16.2
92.99185	3.1
93.07049	29.6
95.04964	12.0
95.08569	13.8
97.02923	3.8
97.06532	11.0
97.10174	11.1
98.23473	4.8
99.04451	3.3
102.34270	2.8
105.07034	8.3
107.04971	13.1
107.08611	19.4
109.06505	12.5
109.10166	6.1
111.04442	25.7
111.08083	8.9
117.07014	10.1
119.08581	16.2
121.06480	6.5
121.10109	15.2
123.08049	10.3
125.05991	3.2
125.09653	9.9
129.07018	3.5
131.08580	7.7
135.08055	7.9
135.11710	17.0
137.09579	5.1
145.06415	4.5
145.10088	25.6
147.07996	5.3
149.09653	6.7
153.12723	14.7
159.08073	3.6
163.11180	59.6
165.82875	3.1
173.09631	12.0
181.12251	25.5
189.11169	4.6
191.10648	30.8
200.69321	3.0
209.11725	99.7
218.41824	2.8
227.12764	100.0
239.06006	2.7
254.46468	3.3
271.16968	5.5
276.15451	2.8
289.17950	28.8
296.62213	2.8
307.19028	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27843	19.8
54.12058	17.0
54.16629	19.8
55.01874	34.1
55.05505	88.9
55.93207	15.1
57.03459	17.8
61.67386	15.5
67.05511	87.3
69.03434	26.0
69.07071	35.3
69.64628	43.3
69.64987	43.2
72.48704	18.3
79.05477	50.1
81.03400	35.7
81.07055	74.7
82.45713	19.7
83.04990	100.0
83.08625	33.7
86.37271	19.7
91.05497	40.6
93.07079	39.0
95.04961	38.5
95.08591	24.2
97.06557	65.8
97.10178	23.1
98.97639	20.2
105.07041	40.1
107.08609	65.1
109.06480	22.3
109.10153	58.1
119.08620	22.5
125.09621	31.1
133.10121	70.0
151.11316	22.8
153.09090	18.0
189.11221	35.5
239.77269	19.1
240.23190	76.1
275.20135	30.3
289.17947	61.4
307.19003	36.2
321.74924	20.2
342.28848	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32579	4.3
53.03956	7.0
55.01882	7.0
55.05513	41.5
57.03439	10.6
63.19675	4.6
67.05162	7.0
67.05506	100.0
67.05861	5.5
69.03416	7.7
69.07065	57.1
69.20765	27.6
71.05001	12.1
79.05492	80.9
81.03417	15.8
81.07051	72.4
83.04980	7.5
83.08624	18.9
91.05486	59.9
93.07035	84.8
93.07601	5.7
95.04976	25.7
95.08607	43.8
97.06527	16.0
97.10188	21.3
99.08156	5.4
100.73019	4.4
102.06917	5.4
105.07039	50.2
107.08596	66.0
109.06527	6.6
109.10149	54.9
111.08097	4.9
117.07040	14.4
119.08569	37.3
121.06519	7.7
121.10133	41.9
125.09625	25.5
131.08571	23.1
133.10135	31.2
135.08035	8.0
135.11708	16.2
137.09605	17.6
145.10117	16.6
147.11670	22.5
149.09607	12.0
155.10689	8.4
157.10104	4.6
159.11710	19.8
161.13295	7.0
163.11256	7.0
173.11761	33.3
173.13199	7.8
181.12286	12.7
187.13351	8.5
193.12248	8.0
195.13792	7.0
203.12846	14.4
203.58733	4.6
206.62022	4.9
226.15279	5.5
235.17342	5.6
239.07426	5.0
239.17883	7.8
257.18954	7.9
275.20084	49.2
284.55032	6.2
289.21655	14.2
307.22681	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	342.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	11.1
57.03453	7.6
57.07068	13.7
67.05519	36.2
69.07065	23.6
78.68907	6.0
79.05493	31.1
81.07056	92.9
83.04993	10.6
83.08629	21.6
86.01838	6.7
91.05473	24.6
93.07034	24.3
95.04971	23.9
95.08586	38.7
97.06515	15.1
99.08130	8.7
105.03365	14.5
105.07047	21.5
107.04924	12.6
107.08572	21.0
109.06520	36.1
109.10147	16.7
113.66975	7.6
117.07008	12.1
119.08580	29.4
121.10152	19.0
123.08046	11.5
131.08548	14.7
133.10138	19.9
135.11717	11.3
145.10110	17.6
147.11685	13.0
149.13193	13.6
159.11713	8.1
163.07669	11.6
163.11078	8.2
177.12871	8.8
185.13181	8.4
257.19025	12.2
265.42856	7.6
275.20056	100.0
301.23557	14.1
307.22681	49.0
342.09689	25.6
342.20114	7.8
342.37131	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	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01862	14.0
55.05509	60.9
57.03445	11.1
57.07063	2.9
59.05008	3.3
60.04536	10.8
67.05498	32.8
69.03436	7.9
69.07066	85.4
69.28395	8.5
69.28808	4.5
70.43304	1.9
79.05490	50.6
81.03410	3.4
81.07059	46.0
83.04976	8.2
83.08620	36.9
85.06553	3.9
88.07639	5.0
91.05469	25.6
93.07034	42.0
95.04961	7.2
95.08598	22.3
97.06526	21.5
97.10170	87.5
98.23446	4.9
98.97540	4.3
105.07031	25.2
107.04951	7.9
107.08590	100.0
109.06522	2.8
109.10156	12.2
111.08099	5.7
117.07016	10.2
119.08571	20.3
121.06491	4.3
121.10143	13.9
123.08063	4.7
125.09626	81.3
129.07030	2.5
131.08543	11.3
133.10138	14.3
135.08032	24.3
135.11674	11.0
137.09612	2.6
139.07545	3.1
143.08563	4.6
145.10115	20.6
147.11705	10.5
149.09576	15.5
149.13242	2.6
151.11224	4.4
153.09126	13.6
157.10106	5.5
157.12283	9.1
159.11707	15.8
161.09550	2.2
161.13254	7.9
163.11189	9.5
163.14824	2.9
165.09091	3.6
169.10094	5.1
171.10210	4.6
173.13232	10.6
175.11243	3.0
175.14867	2.3
177.12721	5.4
179.14297	3.0
181.12268	3.9
183.11674	3.4
185.13278	3.3
187.11212	4.2
189.12744	4.6
191.14388	2.7
203.12762	98.4
205.12242	3.5
209.15364	3.4
212.16411	3.1
219.17429	6.0
235.16930	12.2
239.17853	11.5
257.18979	26.6
275.20059	88.6
276.20279	4.4
289.21625	35.9
307.22617	34.7
333.72009	2.1
342.29941	2.7
343.18661	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	342.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.5
57.07082	7.4
58.06601	1.5
62.06082	3.2
67.05510	7.5
69.07077	2.4
69.89149	3.2
70.58183	0.9
71.08632	6.1
79.05492	3.6
81.03448	1.0
81.07063	9.4
83.04984	1.7
83.08624	2.5
85.06503	1.1
85.10204	1.1
87.05562	0.9
90.03651	1.0
91.05482	3.6
93.07042	4.0
95.04971	1.9
95.08588	5.7
97.06488	0.9
97.10194	1.3
98.23399	1.7
99.08076	1.8
105.07006	3.3
107.04951	1.1
107.08595	4.3
109.06512	1.1
109.10152	6.6
119.08559	1.5
121.10155	1.9
123.08100	1.4
131.08559	1.5
133.10156	7.5
135.11688	1.9
137.09596	2.9
145.10121	1.5
149.09645	1.0
149.13286	1.0
151.11194	6.6
163.11212	2.3
174.18536	4.3
177.12730	1.2
183.13835	4.0
211.13017	1.0
212.23692	1.1
229.14476	1.3
230.24861	3.3
240.23254	1.4
275.20071	5.8
279.01804	0.9
283.26291	1.9
293.21222	2.0
307.22681	4.0
307.26077	1.2
324.36359	1.1
333.78729	1.0
342.37289	100.0
343.37589	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1025
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.03949	0.4
55.01868	0.7
56.96556	0.5
57.03429	1.2
57.82415	0.3
61.02913	0.6
69.03429	3.1
70.06606	0.7
71.04989	0.6
73.02905	0.5
79.05482	0.9
81.03414	6.7
82.16589	0.2
83.04947	0.3
84.08135	0.6
85.02905	9.3
86.40471	0.3
89.03909	4.2
91.80518	0.3
95.04962	0.5
97.02393	0.3
97.02898	2.9
98.97587	1.1
99.04440	1.3
101.02375	0.4
105.03374	0.4
107.04950	1.9
109.02883	3.8
115.03880	0.3
116.98604	0.5
117.03387	7.6
127.03912	5.6
131.83707	0.3
135.04413	15.1
137.45891	0.3
140.47783	0.3
145.02847	10.8
145.04933	3.6
146.03166	0.4
151.03978	0.5
163.03899	100.0
164.04195	2.9
181.04956	13.6
242.63515	0.4
325.09033	1.3
325.49146	0.3
343.09961	2.2
343.13828	1.5
344.13205	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22591	0.4
56.61026	0.4
57.03431	1.2
61.02927	0.7
69.03444	2.1
69.65796	0.9
69.66180	1.0
71.04993	0.5
75.34811	0.4
79.05505	1.0
81.03417	3.4
81.07063	0.7
82.07391	0.5
85.02905	6.0
87.04438	0.4
88.54874	0.4
89.03918	4.8
91.05486	1.4
93.07017	0.5
95.04961	0.5
97.02878	1.2
99.04466	0.6
99.08096	0.7
100.08414	0.6
105.07044	0.6
107.04959	1.8
109.02882	1.2
109.06570	0.5
110.06927	0.5
117.03380	9.1
117.09139	4.3
118.09474	3.3
119.04957	4.2
126.95170	0.6
127.03915	1.4
127.07525	1.9
128.07910	1.1
133.06468	0.5
135.04414	17.5
137.05984	1.5
145.02853	10.8
145.03946	0.8
145.04889	0.7
146.03123	0.6
147.04405	19.5
158.48677	0.4
163.03905	100.0
163.09688	1.4
164.04271	2.6
164.09944	0.7
165.04063	0.6
165.05478	12.2
165.06813	1.0
165.08429	0.4
175.00143	0.4
179.03387	1.0
180.03670	0.9
181.03647	1.0
181.05145	3.4
201.05388	0.5
202.38928	0.5
307.08084	1.9
309.29337	0.4
325.09225	1.9
343.13766	2.3
344.20847	0.6
358.26288	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88500	0.9
53.03958	1.1
57.03432	1.0
69.03440	4.3
70.06598	0.9
70.22806	2.2
73.02913	0.8
75.83727	0.8
79.05482	1.4
81.03420	4.6
81.07030	1.1
84.08112	0.8
85.02902	8.7
89.03942	3.9
91.05476	1.6
93.07039	1.7
95.04981	9.7
97.02882	3.1
99.04448	1.1
105.07030	0.9
107.04930	2.4
109.02870	2.0
117.03398	7.4
117.09127	1.2
119.04937	3.2
123.04437	1.9
127.03902	1.9
135.04419	16.5
135.11749	1.0
137.05943	2.2
145.02850	10.9
145.04953	3.2
147.04410	16.2
153.65523	0.9
163.03909	100.0
163.11177	3.6
164.04253	3.0
164.22911	0.9
165.05470	9.5
179.03389	2.0
180.03748	1.4
181.03586	1.3
181.05093	5.4
181.08589	1.4
181.12225	4.2
182.02580	1.2
218.84857	0.8
297.72540	0.9
307.08136	5.0
325.09119	1.6
343.13559	16.1
349.17365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1024
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
53.03958	0.4
57.03421	0.8
61.02911	0.6
65.03934	0.4
67.37652	0.4
69.03435	2.2
69.58615	1.3
69.59022	0.8
71.05005	0.7
79.05482	1.5
81.03413	2.7
81.07047	0.8
85.02908	6.4
89.03912	5.7
91.05481	1.6
95.04971	0.5
97.02876	1.0
99.04454	0.4
99.08071	0.9
106.34612	0.4
107.04945	2.3
109.02882	1.3
109.06521	1.0
110.06896	0.6
117.03381	7.6
117.09127	5.1
117.59162	0.4
118.09470	3.3
119.04938	4.9
123.04436	0.9
127.03878	1.2
127.07563	1.8
128.07880	1.2
135.04414	15.2
136.04782	0.6
137.05983	0.7
145.02846	11.7
145.03943	0.9
145.04930	1.4
147.04404	20.6
155.30150	0.4
163.03902	100.0
163.09647	1.0
164.04205	2.7
164.10036	1.3
165.05479	11.1
179.03378	2.3
180.03726	0.8
181.03792	1.6
181.05243	2.6
269.60544	0.5
295.64609	0.4
307.08182	2.7
319.83566	0.4
325.09149	1.8
343.13669	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	343.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01875	10.9
57.03434	12.3
59.57898	1.2
61.02916	5.9
66.76305	1.3
69.03429	34.1
70.34501	2.1
71.04976	2.2
73.02922	6.9
75.04471	1.5
77.21966	1.4
81.03412	4.8
82.16189	1.2
83.04942	1.9
85.02906	100.0
86.03223	2.0
87.04441	1.3
88.36597	1.3
97.02264	2.2
97.02891	34.1
99.04473	8.1
101.02390	6.1
104.57413	1.2
106.84313	1.2
109.02867	6.9
111.04488	2.0
115.03907	2.9
119.53864	1.3
127.03918	61.6
128.04248	1.5
129.05403	1.6
145.04956	41.8
146.05342	2.9
147.06503	1.6
163.06009	8.4
239.20113	1.4
275.27908	1.4
291.54205	1.4
344.08945	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1239
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
53.03931	1.9
55.01872	8.6
57.03436	10.4
61.02930	4.8
69.03428	35.5
70.06631	1.1
70.69106	0.9
70.69418	1.5
71.04991	2.7
73.02923	5.7
81.03413	7.8
85.02906	100.0
86.03242	2.9
87.04455	2.4
91.03953	1.4
97.02892	34.2
99.04459	7.6
101.02392	7.1
109.02887	9.2
111.04436	1.7
115.03939	3.2
127.03916	67.0
128.04236	2.9
129.05458	1.5
137.05954	2.1
145.04962	43.7
147.06532	2.7
163.03952	1.2
163.06013	9.6
165.07565	1.5
181.04977	1.3
184.50912	0.9
187.59187	1.1
343.07864	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62068	0.4
53.01835	0.4
53.03946	1.5
55.01869	2.2
55.05502	1.5
57.03437	3.5
57.07063	1.4
59.04993	0.6
61.02924	4.9
62.60065	0.4
65.03938	0.6
67.05501	1.8
69.03428	12.9
69.07060	1.8
69.40398	2.0
71.01343	0.6
71.04981	2.0
73.02914	1.7
75.50156	0.5
77.03944	0.6
79.05489	2.8
81.03419	6.0
81.07061	8.3
83.04973	5.2
85.02902	29.3
85.06509	0.5
87.04479	1.5
91.03952	1.6
91.05489	4.1
93.07046	9.6
95.04967	17.5
95.08605	1.2
97.02889	9.7
97.03487	0.8
97.06524	3.5
98.03223	0.4
98.23412	1.1
99.04438	2.2
101.02359	0.5
103.03945	1.3
103.05476	1.1
104.32246	0.5
105.07027	8.0
107.04937	1.1
107.08588	9.9
109.02895	3.4
109.06513	1.9
109.10125	0.7
109.73093	0.5
111.32093	0.4
112.83212	0.4
117.07032	3.7
119.04987	0.6
119.05863	0.4
119.08572	4.2
121.06503	3.2
121.10146	9.3
123.04414	1.0
123.08075	1.8
125.05985	12.9
127.03897	6.4
128.06174	0.5
129.07045	0.8
130.07779	3.4
133.06480	1.5
133.10110	1.2
135.04398	1.8
135.08041	1.7
135.11694	7.1
137.05966	4.6
137.09535	0.5
138.06331	0.5
139.03873	0.5
139.36050	0.5
140.04623	0.7
143.08588	1.0
145.04955	7.9
145.10120	16.9
147.08046	2.1
148.08800	0.7
151.03918	1.4
153.05380	0.6
161.09641	1.5
163.03909	2.0
163.11176	100.0
164.11543	3.1
165.09071	1.4
165.12839	0.5
167.07019	1.3
173.09613	0.5
175.11180	1.4
177.22484	0.4
177.74156	0.5
181.04945	5.4
181.08615	0.7
181.12234	16.0
182.05215	0.5
182.12570	0.7
183.10086	1.2
201.11188	0.5
205.12256	1.4
223.13275	1.7
236.25908	0.4
251.09071	0.7
289.14276	1.0
325.09351	0.6
325.16309	0.9
343.13510	2.1
343.17389	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	343.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.5
53.29346	2.2
55.01870	37.7
55.05510	82.6
57.03427	11.0
57.40615	2.2
59.04992	6.4
61.67160	2.6
65.02746	2.4
65.03929	5.2
67.05501	67.2
69.03423	16.7
69.07061	34.6
70.28138	6.1
71.04977	15.3
79.05491	49.6
81.03411	21.0
81.07054	40.9
83.04974	17.8
83.08618	49.3
85.02903	9.5
85.06539	7.6
85.48215	2.8
91.05481	29.4
93.07045	40.2
95.04958	30.4
95.08603	21.7
97.02863	8.0
97.06548	17.1
97.10166	100.0
98.10503	3.4
99.08073	5.4
101.09640	3.2
103.05456	11.0
103.27305	2.4
105.03371	5.9
105.04491	3.3
105.07035	17.9
107.04938	10.8
107.08596	41.0
107.44571	2.5
109.02926	3.8
109.06523	22.1
109.10156	34.9
111.04409	6.8
111.08075	8.2
115.05444	4.1
115.07555	26.8
117.07002	8.5
119.08562	17.4
121.02982	3.1
121.06503	31.8
121.10124	8.3
123.04446	4.4
123.11705	3.5
125.09626	71.1
127.03876	5.0
127.07564	4.9
128.06169	3.0
129.06966	6.7
131.04906	6.9
131.08537	11.5
133.02855	2.9
133.06477	4.7
133.10159	6.4
135.08043	20.7
135.11668	5.4
137.05959	9.6
137.09613	67.8
139.07532	28.9
141.06975	4.7
143.08572	3.8
143.10704	5.5
145.04918	3.8
145.10069	10.2
147.08040	5.8
147.11690	7.7
149.05951	3.3
151.03874	2.6
153.09117	10.5
153.12724	3.7
155.04955	3.4
155.10646	6.9
157.06491	5.1
157.10136	5.9
159.08049	50.5
159.11667	3.1
161.05919	5.2
163.03911	8.0
163.07539	13.3
163.11234	13.2
167.07133	3.9
167.08597	3.0
171.10182	6.5
173.05977	7.7
173.09616	4.0
175.07582	4.1
175.11160	3.7
181.04913	14.1
181.06390	4.4
181.08553	8.5
181.12167	6.1
185.09631	3.4
187.07487	4.7
187.11221	2.6
189.09229	7.9
189.11206	71.6
193.12222	9.9
196.09756	3.4
199.07481	4.5
211.07536	3.6
211.11354	4.7
211.13242	24.6
213.05475	3.1
219.13829	5.0
221.11639	4.4
223.07436	3.1
223.13289	3.5
227.06935	4.4
233.15393	4.5
235.16849	13.0
236.17224	3.0
237.14761	12.2
249.14667	4.8
251.16402	3.0
253.15855	9.4
253.18173	4.0
261.18579	2.9
271.16931	20.8
279.13611	3.3
283.09561	4.7
289.17941	65.2
290.18365	3.6
297.11200	3.7
307.19009	35.0
311.09079	7.9
325.14273	6.1
325.20053	26.6
343.08102	5.7
343.11685	21.1
343.15714	16.7
344.15021	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	343.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.5
53.29346	2.2
55.01870	37.7
55.05510	82.6
57.03427	11.0
57.40615	2.2
59.04992	6.4
61.67160	2.6
65.02746	2.4
65.03929	5.2
67.05501	67.2
69.03423	16.7
69.07061	34.6
70.28138	6.1
71.04977	15.3
79.05491	49.6
81.03411	21.0
81.07054	40.9
83.04974	17.8
83.08618	49.3
85.02903	9.5
85.06539	7.6
85.48215	2.8
91.05481	29.4
93.07045	40.2
95.04958	30.4
95.08603	21.7
97.02863	8.0
97.06548	17.1
97.10166	100.0
98.10503	3.4
99.08073	5.4
101.09640	3.2
103.05456	11.0
103.27305	2.4
105.03371	5.9
105.04491	3.3
105.07035	17.9
107.04938	10.8
107.08596	41.0
107.44571	2.5
109.02926	3.8
109.06523	22.1
109.10156	34.9
111.04409	6.8
111.08075	8.2
115.05444	4.1
115.07555	26.8
117.07002	8.5
119.08562	17.4
121.02982	3.1
121.06503	31.8
121.10124	8.3
123.04446	4.4
123.11705	3.5
125.09626	71.1
127.03876	5.0
127.07564	4.9
128.06169	3.0
129.06966	6.7
131.04906	6.9
131.08537	11.5
133.02855	2.9
133.06477	4.7
133.10159	6.4
135.08043	20.7
135.11668	5.4
137.05959	9.6
137.09613	67.8
139.07532	28.9
141.06975	4.7
143.08572	3.8
143.10704	5.5
145.04918	3.8
145.10069	10.2
147.08040	5.8
147.11690	7.7
149.05951	3.3
151.03874	2.6
153.09117	10.5
153.12724	3.7
155.04955	3.4
155.10646	6.9
157.06491	5.1
157.10136	5.9
159.08049	50.5
159.11667	3.1
161.05919	5.2
163.03911	8.0
163.07539	13.3
163.11234	13.2
167.07133	3.9
167.08597	3.0
171.10182	6.5
173.05977	7.7
173.09616	4.0
175.07582	4.1
175.11160	3.7
181.04913	14.1
181.06390	4.4
181.08553	8.5
181.12167	6.1
185.09631	3.4
187.07487	4.7
187.11221	2.6
189.09229	7.9
189.11206	71.6
193.12222	9.9
196.09756	3.4
199.07481	4.5
211.07536	3.6
211.11354	4.7
211.13242	24.6
213.05475	3.1
219.13829	5.0
221.11639	4.4
223.07436	3.1
223.13289	3.5
227.06935	4.4
233.15393	4.5
235.16849	13.0
236.17224	3.0
237.14761	12.2
249.14667	4.8
251.16402	3.0
253.15855	9.4
253.18173	4.0
261.18579	2.9
271.16931	20.8
279.13611	3.3
283.09561	4.7
289.17941	65.2
290.18365	3.6
297.11200	3.7
307.19009	35.0
311.09079	7.9
325.14273	6.1
325.20053	26.6
343.08102	5.7
343.11685	21.1
343.15714	16.7
344.15021	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	343.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.9
55.01867	9.4
55.05510	20.1
57.03164	3.5
57.03428	16.0
57.07071	3.1
57.66216	2.6
59.05011	3.9
65.03921	4.6
67.05504	43.1
69.03445	13.9
69.07079	15.9
69.33280	12.9
71.05003	6.2
71.81192	2.8
72.08156	3.6
79.05489	32.0
81.02961	5.8
81.03419	100.0
81.07055	39.5
83.01344	3.0
83.04988	24.3
83.08616	4.0
83.44350	2.3
85.02882	16.4
85.06545	11.6
91.05476	21.0
93.07037	26.0
95.04973	34.8
95.08603	25.4
97.02888	5.4
97.06525	11.5
97.10172	8.1
99.04446	7.3
99.08077	3.0
101.49685	2.5
101.68787	2.7
105.03387	4.0
105.04459	3.3
105.07019	17.2
107.04941	30.7
107.08588	54.7
109.02874	9.2
109.06521	85.5
109.10165	25.5
111.04430	12.6
111.08073	9.0
111.10792	3.1
113.05990	24.2
115.05473	4.0
117.07027	11.2
119.08588	10.6
121.06506	7.5
121.10145	6.3
123.04382	4.4
123.08093	18.0
123.11670	6.6
125.06046	3.0
125.09647	14.4
127.03955	3.9
128.04124	3.3
129.07025	3.8
131.05002	3.5
133.10120	8.5
135.08041	43.3
135.11653	5.4
136.07613	2.8
137.05981	16.0
137.09618	11.0
141.09026	5.2
145.10095	6.3
147.11626	3.7
149.05980	3.6
149.13239	4.4
151.07549	7.3
153.05460	3.1
153.09102	50.3
153.12701	3.4
155.10681	3.6
159.08069	6.7
159.11642	3.9
161.05963	8.3
161.09680	3.6
161.13231	3.2
163.03903	9.2
163.07545	17.4
163.11172	12.5
165.09125	5.3
173.11700	13.1
175.07578	3.0
181.05000	16.2
181.08586	12.1
181.12167	3.5
189.09067	4.1
203.47389	3.3
211.07404	3.3
213.05608	3.4
223.07388	3.5
223.20554	4.1
227.06960	2.8
235.13292	5.1
239.06966	3.4
271.17056	6.6
280.08322	4.1
282.08698	3.4
283.05969	6.4
283.09558	4.7
289.18054	12.8
297.11310	4.7
307.18948	11.6
311.05481	4.5
311.09531	5.2
325.13043	6.9
343.11517	29.1
344.12000	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.98264	3.0
55.01868	5.1
55.05504	14.9
57.03435	6.5
57.07073	7.7
64.75357	3.9
67.05503	30.9
69.03424	12.6
69.07063	9.5
71.04987	14.3
79.05495	24.6
81.03437	4.0
81.07054	32.2
83.04991	6.3
83.08629	7.3
85.06558	2.9
91.00732	3.3
91.05486	25.4
93.07033	49.1
95.04962	38.1
95.08606	56.7
97.06524	13.6
102.28217	3.3
103.05440	4.0
105.07021	57.6
107.04965	5.4
107.08585	45.8
107.09229	3.5
109.06520	14.7
109.10151	8.9
113.09644	4.1
113.45650	3.7
117.07014	16.3
119.08571	23.5
121.06499	17.6
121.10121	18.0
123.08073	19.0
123.59295	3.4
129.06976	8.0
130.07800	14.2
131.08621	8.3
133.06425	4.1
133.10147	14.2
135.08041	23.0
135.11665	15.8
137.09657	3.7
139.11206	3.4
142.07835	3.9
143.08569	11.2
145.10110	60.7
147.08073	15.1
147.11652	7.6
149.09662	6.0
151.07538	38.0
155.10611	4.4
157.10129	7.3
159.11710	8.3
161.09634	12.0
161.13243	4.7
163.07536	6.7
163.11180	45.0
163.12415	3.2
165.09149	13.0
169.10176	5.8
171.11681	6.3
173.09604	3.9
174.10718	3.5
174.17038	3.2
175.14836	6.3
177.09102	4.9
179.07053	3.6
189.12762	9.0
190.65192	3.1
203.14281	24.9
207.13762	5.0
221.15355	24.6
240.23285	10.9
263.16299	7.9
269.15335	5.8
278.96906	5.5
286.18948	4.3
324.03055	3.6
325.21600	10.2
343.22678	100.0
343.26279	11.0
344.23047	9.5
344.31604	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	343.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.0
55.01875	5.4
55.05515	19.3
57.02588	3.0
57.03428	5.8
61.23015	2.9
62.55447	2.6
63.61691	3.0
67.05505	58.3
68.48592	3.0
69.03386	3.4
69.07065	20.5
70.56340	5.6
71.04994	100.0
72.05326	3.5
73.06564	4.1
73.13127	2.8
73.73853	3.1
79.05486	29.6
81.03397	3.3
81.06568	4.0
81.07056	54.0
82.07387	5.6
83.04968	3.1
83.08623	8.9
85.06531	6.8
86.31743	2.8
87.04484	2.7
91.05481	26.6
93.07045	37.4
94.07374	3.9
95.04960	9.5
95.08608	41.5
97.06531	11.5
97.10156	12.5
99.08125	3.8
101.18906	2.5
105.07028	27.4
107.04961	3.5
107.08578	23.5
109.06528	8.7
109.10147	13.6
111.08095	5.1
117.07011	11.7
119.08591	23.5
119.64613	2.6
120.08918	3.1
121.06468	4.5
121.10129	14.7
123.07998	4.2
123.11749	2.9
125.06001	2.7
125.09640	7.4
131.08540	11.6
133.10118	22.0
134.31134	2.8
135.08037	4.0
135.11705	13.5
137.09618	5.2
145.10110	9.3
147.11685	9.1
149.09612	8.8
149.13246	11.2
151.11208	3.6
159.11697	16.9
161.13306	6.2
163.11223	3.6
171.11786	3.2
173.11783	5.1
177.12773	9.9
195.13800	20.3
209.15402	5.1
227.16388	36.2
228.16737	7.9
275.20020	41.1
276.20395	7.9
295.39114	3.0
307.22656	16.4
308.23022	7.9
327.27649	3.1
343.20923	29.5
343.26614	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	344.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
57.03424	0.8
61.02913	2.0
64.02475	0.5
64.08712	0.5
65.03945	0.5
69.03421	3.9
71.49619	0.6
73.02897	0.8
79.12019	0.5
81.03403	0.9
85.02903	15.5
88.16468	0.5
89.06057	0.6
91.05475	3.9
95.04962	1.0
97.02892	3.1
99.04459	1.0
101.02324	0.5
109.02888	1.3
119.04944	17.0
120.05256	0.6
120.08070	0.7
123.04446	2.3
127.03935	2.7
128.51790	0.5
133.08575	0.6
137.06000	0.7
137.56195	0.4
145.04944	3.7
147.04407	100.0
148.04736	2.9
165.05478	57.2
166.05840	1.8
180.08629	1.3
182.08203	1.1
281.68347	0.5
344.14355	0.7
344.20465	0.8
345.14908	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
54.56886	0.5
57.03428	0.9
61.02905	1.2
69.03433	4.1
71.04984	0.8
71.69811	0.5
73.02930	0.7
74.02361	0.5
81.03419	2.1
84.96442	0.5
85.02405	1.1
85.02907	16.5
86.09735	0.6
87.04448	0.7
89.03922	0.9
89.06031	2.8
91.03925	0.7
91.05483	5.9
95.05000	1.2
97.02894	4.3
97.06491	0.5
99.04459	0.9
103.05421	0.5
107.04961	0.6
109.02879	1.8
117.09114	0.6
119.04946	21.9
120.08132	0.8
123.04443	3.1
127.03936	3.6
133.08585	2.3
135.04387	1.0
136.04758	0.6
145.02881	0.9
145.04935	2.4
146.03203	0.9
147.04407	100.0
148.04755	3.5
163.03893	4.6
163.06003	0.7
164.04257	6.4
165.05481	49.9
166.05795	1.3
180.08708	1.9
300.17987	0.7
308.08282	0.7
309.09222	0.7
327.20135	1.1
344.13724	1.8
344.20511	0.9
345.15079	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1492
Annotation	Sarcocapnidine N-oxide
Peak:m/z	Relative Intensity
52.74769	0.4
53.03932	0.8
55.05502	1.2
60.73781	0.4
67.05511	0.5
69.03415	0.7
69.40196	1.6
72.08152	4.5
73.02898	0.4
77.03896	0.7
78.82899	0.5
79.05489	21.9
80.05820	0.4
81.07032	0.8
81.65728	0.5
82.07388	0.6
85.02905	2.3
86.09717	1.4
91.05473	1.0
93.07034	2.6
93.23317	0.5
94.07403	0.6
95.04986	2.5
95.08623	0.5
97.02866	1.0
98.22693	0.8
103.05463	60.0
104.05786	1.2
105.04521	0.9
105.07027	3.8
107.04948	27.6
108.05258	0.7
109.02936	0.5
109.06555	0.6
120.08015	0.5
121.06516	1.6
121.10155	0.5
122.10482	0.5
124.05222	0.8
127.03931	0.7
131.04922	20.1
132.05302	0.7
133.06474	0.6
134.06007	0.7
137.05951	2.7
145.04935	0.9
145.10051	0.5
146.11783	0.9
149.05998	2.0
151.03944	0.8
152.04376	0.5
163.07518	0.5
164.07101	2.7
164.10631	4.2
165.07823	1.4
165.09128	2.9
166.05022	1.3
166.08629	10.6
166.10042	0.7
171.14919	1.3
173.09608	0.5
181.06355	0.6
181.12210	0.4
196.09689	34.0
197.10039	1.3
199.14542	1.3
300.21872	0.7
313.10660	0.5
327.12402	0.5
344.14920	100.0
345.15231	7.9
345.21466	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1493
Annotation	Isoboldine beta-N-oxide
Peak:m/z	Relative Intensity
50.01586	0.3
51.02372	0.5
53.03941	0.6
61.40088	0.3
69.60627	0.8
77.03922	1.0
78.72283	0.3
79.05491	26.1
80.05814	0.7
81.07034	0.3
91.05481	1.0
93.07040	2.7
95.04967	1.8
103.05464	64.0
104.05788	1.6
105.04502	0.7
105.07039	3.3
107.04949	29.7
108.05306	0.9
118.06525	1.3
121.06519	2.2
131.04930	20.1
132.05275	1.0
142.03178	0.4
144.31984	0.3
146.05995	5.4
149.05916	1.4
164.07085	2.6
178.08627	14.5
179.09039	0.4
196.09686	37.5
197.10085	1.6
324.59756	0.3
326.13895	0.8
344.14914	100.0
345.15213	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	344.1495
Annotation	11-O-Acetylhaemanthamine
Peak:m/z	Relative Intensity
51.02370	0.2
53.03936	0.4
53.08138	0.2
55.01858	0.3
65.03951	0.3
67.05493	0.4
70.06593	0.4
71.44961	0.3
72.08144	0.6
77.03939	0.6
79.05478	0.5
81.07065	0.4
85.02905	0.3
88.18655	0.2
89.06026	3.2
91.05477	4.3
93.07041	1.1
95.04969	10.9
103.05466	1.7
105.04504	0.4
107.04971	0.5
109.06549	1.2
110.06042	0.5
110.07156	0.3
118.06496	0.5
119.04947	20.2
120.08105	100.0
121.06510	1.2
121.08434	3.3
123.04430	38.3
124.04779	0.9
131.04910	0.2
133.08606	1.8
137.05951	2.2
147.04411	16.6
148.04774	0.7
148.07570	1.1
149.05966	0.7
149.20515	0.2
163.03918	0.6
164.04228	0.5
165.05489	10.7
165.09129	0.3
166.05846	0.4
177.11169	0.7
178.08647	0.3
180.10193	6.9
180.11807	0.4
182.02721	0.3
284.12814	34.8
285.13120	2.2
312.12335	0.3
326.19492	0.5
327.19885	1.2
344.14917	52.8
345.15228	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	344.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.01870	3.0
55.05510	5.1
56.96559	3.3
57.03436	18.2
59.04993	1.5
61.02924	7.5
65.52187	0.9
67.05491	1.3
69.03429	68.2
69.23220	0.9
70.06581	1.3
70.30521	2.1
71.01321	1.4
71.04993	11.0
72.08123	0.9
73.02913	11.4
75.04478	30.8
81.03426	6.5
83.01303	1.1
83.04984	21.4
85.02904	100.0
86.03234	2.2
86.09690	0.9
87.03976	1.5
87.04476	21.5
91.03948	4.0
97.02895	24.3
98.03248	1.2
98.97586	7.8
99.04467	5.4
99.97916	1.3
101.06007	7.0
103.03979	1.2
107.79804	1.0
109.02855	4.9
110.97636	1.0
111.04440	20.9
115.03930	13.6
116.98638	2.0
126.28191	1.1
127.03915	16.4
128.98613	1.4
129.05475	41.9
130.93262	0.9
133.04958	14.1
136.07584	5.1
145.04968	27.0
147.06520	44.5
148.06885	1.8
150.07649	2.2
158.99699	1.1
163.06004	10.7
164.07085	2.9
165.07594	37.6
174.97662	1.3
180.08698	1.0
182.08138	11.7
182.11794	1.2
183.06778	1.8
184.17891	1.0
187.00417	1.9
207.54979	1.0
219.01947	3.0
226.02209	1.0
237.07489	1.5
241.07014	1.5
255.08554	2.8
259.08154	1.0
263.06223	1.3
273.09702	2.1
284.00116	1.6
309.11786	1.7
344.08972	3.1
344.13351	2.3
344.16962	2.5
345.06027	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.2
59.05001	51.0
60.05310	0.9
61.02909	1.8
67.61055	0.6
69.03413	4.2
71.23874	1.0
72.10681	0.5
73.02911	1.3
77.06046	3.0
80.35316	0.5
81.03411	2.1
85.02906	19.1
87.04504	0.6
89.05529	1.1
89.06036	16.5
91.03932	0.9
91.05517	1.0
97.02880	4.8
103.07581	56.8
109.02877	1.8
119.04945	5.0
121.08659	1.1
122.06037	3.5
127.03933	3.0
133.08606	6.8
136.07619	0.9
137.05959	0.7
143.03188	0.9
145.04933	3.6
146.06017	5.7
147.04411	30.2
148.04767	0.8
150.17934	0.6
163.03865	0.7
164.04179	1.0
164.07065	29.8
165.05489	15.3
165.11227	100.0
166.05803	0.7
166.11560	2.8
178.08591	3.3
180.08653	0.7
182.08128	1.4
210.11234	1.8
231.24464	0.6
326.12421	3.2
344.13281	3.1
344.17108	5.4
345.15231	3.5
354.04346	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18618	5.0
55.01874	14.0
55.05511	68.8
57.03431	14.6
57.07070	6.5
60.15450	4.9
65.03945	6.8
66.11123	5.3
66.15165	5.0
67.05502	98.5
69.03426	13.0
69.07069	42.7
69.76775	15.9
69.90026	5.0
70.06565	6.4
71.04991	14.8
79.05491	76.1
81.03415	24.2
81.06567	6.6
81.07053	100.0
83.04977	26.9
83.08620	49.6
84.05255	4.6
85.02908	6.3
85.06546	7.4
87.08178	4.9
91.05482	55.6
92.69855	4.7
93.07033	81.1
95.04958	44.3
95.08593	76.7
97.02885	5.6
97.06541	19.5
97.10155	11.6
99.04456	6.6
99.08096	9.0
104.99279	56.6
105.07002	34.9
107.08588	48.3
108.36501	5.0
109.06511	13.1
109.10137	31.9
111.04493	8.6
111.08101	34.4
117.07008	11.3
119.08533	27.9
120.26662	4.9
121.06493	8.4
121.10145	48.5
123.08055	22.6
124.60111	5.9
125.09616	15.0
129.07004	7.1
131.08537	21.7
133.08611	5.2
133.10098	35.3
135.08063	12.4
135.11665	20.4
137.05969	12.8
137.09615	20.7
139.11179	11.1
145.06483	5.0
145.10153	14.1
147.11671	5.9
149.03256	4.9
149.09644	19.3
151.11171	14.4
153.09109	6.7
157.10144	9.9
161.09595	15.9
163.11186	10.1
167.10666	10.4
173.11768	11.0
175.11136	8.9
179.10681	14.5
181.12271	6.4
193.12242	6.4
197.11688	10.7
240.23206	14.2
241.23473	33.7
262.98135	41.2
263.19980	6.9
273.18655	11.6
277.18042	26.9
291.19507	18.1
307.55292	5.1
309.20517	6.1
344.31601	38.7
345.16602	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	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	14.8
56.96561	24.7
57.03421	4.8
57.07066	7.0
65.56480	4.0
67.05499	31.7
69.03439	6.1
69.07050	22.2
69.68825	17.6
79.05498	18.0
79.57422	4.7
81.03419	8.7
81.07051	35.2
83.04967	6.0
83.08606	9.6
89.06046	8.2
89.54983	4.5
91.05489	13.4
93.07051	13.8
95.04949	10.9
95.08612	15.2
97.06551	5.7
97.10160	8.5
98.23408	7.0
98.40988	4.6
104.99271	100.0
105.07040	14.9
107.08630	16.0
109.06545	7.6
109.10162	9.2
113.23969	5.1
119.08561	13.2
121.10164	7.8
125.09678	7.4
131.08658	5.3
133.08603	8.1
133.10078	9.7
135.11688	9.8
145.10103	8.2
189.11284	5.9
197.04886	7.4
262.98184	80.4
275.19949	6.8
301.00952	5.0
303.12723	27.7
321.13797	57.2
339.14658	6.5
344.15271	11.4
344.31674	12.4
344.98450	5.2
363.14566	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	344.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.2
55.05496	9.1
57.03436	11.9
67.05508	28.5
69.07066	52.4
70.71113	3.2
71.04985	21.3
73.02907	4.7
77.03904	3.5
79.05029	4.4
79.05488	45.8
81.03413	17.9
81.06577	3.0
81.07050	39.8
83.04974	8.8
83.08611	4.0
85.06548	4.0
89.80247	2.2
91.05484	27.6
93.07042	33.3
95.04975	19.9
95.08614	19.6
97.06529	100.0
97.39204	2.4
97.63355	2.5
99.08095	5.1
101.14601	2.4
102.61313	2.4
105.07046	18.1
107.04959	6.2
107.08594	19.4
109.06503	14.1
109.10166	16.0
111.08100	3.7
112.61296	2.2
115.07570	44.0
117.07008	12.1
119.08560	10.6
121.06531	7.0
121.10155	9.6
123.08060	3.8
125.06025	2.4
129.07002	6.8
131.08572	13.8
133.10115	17.9
135.08046	5.5
135.11674	10.8
137.09656	3.0
143.08495	5.4
145.10115	10.3
147.07999	3.9
147.11661	4.0
149.09633	4.2
149.13306	4.2
151.11186	3.1
155.88168	2.8
157.10101	4.6
159.11700	6.5
161.09613	3.6
173.13211	3.2
175.11284	2.7
175.85455	2.8
177.12758	9.3
187.11157	3.3
195.11751	2.3
195.13770	8.5
201.12744	3.1
203.14267	3.1
223.13194	6.2
227.59938	2.7
263.20016	3.7
273.18454	8.2
291.19513	9.8
323.13751	2.6
347.33923	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48150	3.1
55.01876	5.7
55.05509	15.6
57.03430	15.0
67.05502	49.1
69.03428	4.8
69.07069	91.2
69.11797	5.8
69.12101	21.8
71.01330	3.2
71.04994	44.5
73.02926	7.5
79.05499	49.6
81.03424	27.9
81.07058	51.1
83.04991	9.1
83.08630	6.2
84.22649	3.3
85.06538	6.6
86.38216	3.4
91.05473	33.7
93.07056	43.7
95.04976	44.9
95.08613	29.1
97.06531	100.0
97.10194	5.3
99.08109	9.0
105.07050	22.5
107.04948	9.5
107.08588	23.7
109.06515	25.1
109.10188	11.1
111.08082	3.2
113.06022	6.8
115.07570	71.5
115.08346	5.4
117.07015	15.0
119.08563	19.1
121.06520	10.2
121.10168	16.7
123.08079	7.8
123.11681	4.4
125.09611	3.6
129.06995	8.7
131.08534	17.2
133.10155	12.6
135.08055	6.8
135.11682	11.8
143.08577	6.3
145.10130	14.2
147.08022	3.6
147.11726	5.3
149.09624	4.1
149.13219	8.1
153.22676	3.1
157.10101	9.2
159.11694	12.9
161.09622	4.6
163.11157	4.3
173.13260	7.8
175.11215	5.9
177.12785	10.8
187.11293	3.4
195.13828	5.5
205.12119	3.5
217.15952	6.5
219.13670	4.0
223.13353	14.2
249.14963	3.6
263.20068	5.2
273.18582	6.6
291.19464	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	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.7
55.01878	7.3
55.05508	54.7
57.03429	14.6
65.03938	6.6
67.05504	100.0
67.05869	4.8
68.99149	2.6
69.03423	8.7
69.07064	29.1
69.52343	10.9
70.04222	3.8
71.01357	9.5
71.04984	12.7
79.05490	64.0
79.15047	2.3
81.03415	26.8
81.07056	66.9
81.07505	4.9
83.04977	26.0
83.08612	17.2
91.05474	58.9
93.07044	55.6
93.07602	3.6
95.04960	31.7
95.08606	48.3
96.05752	3.3
97.06535	8.5
97.10181	11.0
97.39385	2.8
99.08131	2.7
104.99264	14.4
105.04533	3.8
105.07037	31.5
107.04919	5.5
107.08594	33.2
109.06525	9.3
109.10152	25.4
111.08095	5.0
117.07011	8.2
119.08556	21.5
121.06504	2.8
121.10123	15.0
123.08069	16.0
123.11705	3.7
125.09653	11.2
128.06198	2.7
129.06995	5.9
131.08577	14.0
133.10153	16.5
135.08060	6.8
135.11719	9.9
137.09656	6.4
139.11217	3.1
145.10155	5.2
147.11696	8.2
149.09637	5.5
151.11205	3.2
155.68410	2.4
157.10165	4.2
161.09589	2.8
163.11174	3.7
173.11838	4.6
181.12379	2.7
189.11250	6.6
193.12222	2.9
194.13045	6.7
211.13293	3.1
262.98117	14.8
275.20074	10.0
292.92535	2.5
344.32230	2.7
348.51514	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	344.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.8
55.01879	7.4
55.05256	4.3
55.05511	62.5
57.03436	15.9
60.00372	2.2
67.05505	42.3
69.03418	10.4
69.07070	20.2
70.11141	5.3
71.04979	3.9
74.84658	2.3
79.05496	91.9
81.03414	21.4
81.07063	30.8
83.04980	11.1
83.08615	28.7
88.24316	2.0
91.05491	27.6
93.07047	100.0
94.07388	3.3
95.04969	16.1
95.08604	30.7
97.06527	3.3
97.10172	59.5
98.22788	2.7
101.09657	2.5
103.05406	2.3
105.04505	5.4
105.07034	14.6
107.04926	4.7
107.08586	29.0
109.06519	9.2
109.10153	12.4
111.08105	6.6
117.07027	8.1
119.08595	14.7
121.06536	4.2
121.10143	46.4
123.08079	23.3
123.11681	2.9
125.09631	51.5
129.06987	3.8
131.08525	10.9
133.10121	8.5
135.08009	13.4
135.11748	2.4
137.09602	22.3
139.11243	4.9
141.09109	6.6
143.10663	3.4
145.10115	7.8
147.08063	3.1
147.11690	4.8
149.09608	5.2
153.09108	3.2
155.10646	3.5
157.10167	3.9
165.12737	2.8
167.10719	7.7
171.10159	7.1
173.11780	7.1
173.13260	2.8
185.11726	4.1
189.11224	67.4
219.13780	3.8
221.15337	14.9
223.13277	15.3
233.15334	3.6
235.16907	5.6
237.14798	6.8
245.19069	3.7
255.17361	3.2
256.18005	2.4
262.98203	2.6
263.19885	3.2
273.18503	15.3
291.19513	29.3
309.20627	23.4
344.11368	2.3
344.21246	5.4
344.25433	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	344.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	6.4
55.01879	9.2
55.05511	54.5
56.96571	4.7
57.03427	16.4
65.03925	5.0
67.05503	77.8
67.14536	3.7
69.03424	16.0
69.07066	39.5
69.67426	15.1
70.07397	3.4
71.04996	14.3
79.05494	62.6
81.03416	17.3
81.07058	100.0
83.04980	24.4
83.08631	37.6
85.02898	8.6
85.06551	7.7
89.06065	5.2
91.05480	52.1
93.07046	58.2
95.04961	42.8
95.08607	66.1
97.06538	14.9
97.10152	16.9
98.23376	8.4
99.08103	12.1
104.99259	13.3
105.07022	26.4
107.04955	6.0
107.08594	44.5
109.06514	17.2
109.10152	17.2
110.67922	3.7
111.04460	8.1
111.08103	31.9
117.07031	16.1
119.08584	24.5
121.06483	5.1
121.10157	51.1
123.08062	16.0
123.11687	5.3
125.09628	15.1
129.07024	4.6
131.08548	21.5
133.10144	26.7
135.08070	10.8
135.11703	17.1
137.09624	18.0
139.11189	12.9
145.10115	11.0
147.08028	6.4
147.11647	6.2
149.09621	15.3
151.11209	14.3
152.34250	3.5
153.09128	4.9
157.10143	5.8
159.11697	8.4
161.09637	13.1
163.11169	10.5
167.10629	19.1
173.11739	8.5
175.11203	4.5
179.10703	15.5
181.12233	5.2
189.11261	5.8
189.12836	4.0
191.10753	4.1
193.12247	6.5
197.11752	10.1
209.11678	5.8
211.13214	4.7
262.98059	12.6
263.54471	3.8
273.18518	12.7
281.10669	18.2
285.07797	10.9
291.19574	33.4
299.11606	11.5
303.08786	16.0
309.20593	4.8
327.20129	4.4
345.09851	80.4
365.49695	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	344.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51464	1.4
53.03933	2.0
55.01871	2.1
55.05515	7.5
57.03429	3.5
57.07076	15.6
59.85649	1.6
67.05508	17.6
69.03436	8.6
69.07069	100.0
70.70217	2.1
71.04991	50.3
71.08620	6.4
72.05303	1.5
73.02898	2.2
79.05491	17.2
81.03405	13.0
81.07063	11.5
81.94207	1.6
83.04967	4.3
83.08614	5.4
85.02898	21.9
85.10191	4.0
89.06015	4.3
91.05470	8.1
93.07033	11.0
95.04975	7.3
95.08611	11.9
97.02897	5.2
97.06535	26.1
97.10142	3.3
99.08086	1.4
104.99258	15.7
105.07005	4.7
107.08583	4.9
109.02879	3.1
109.06570	2.4
109.10154	6.5
115.07573	34.7
117.07014	2.7
119.08578	3.9
121.10137	2.8
125.09647	2.8
127.03906	2.9
129.07025	1.6
131.08586	2.6
133.10136	2.5
145.10161	1.8
149.09612	1.9
159.11819	1.5
183.17436	8.9
204.00616	1.4
262.98148	13.8
275.19971	4.3
344.19208	3.9
344.31528	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	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.1
53.38570	2.2
55.01872	8.8
55.05511	31.3
57.03452	5.4
59.05005	4.0
65.03939	5.6
67.05505	100.0
69.03431	8.6
69.07067	25.8
69.64625	8.0
70.04192	3.0
71.01359	18.0
71.04993	10.5
78.41209	2.6
79.05498	60.3
81.03415	12.8
81.07060	47.3
83.04987	14.2
83.08627	12.7
85.02917	3.6
85.06538	5.3
89.06024	3.0
91.05482	40.5
93.07052	45.5
94.07824	4.8
95.04976	24.9
95.08618	34.0
96.05750	5.4
97.06544	7.3
97.10188	9.7
98.23373	5.3
104.99278	15.0
105.07049	20.2
107.04924	3.0
107.08575	21.8
107.09197	2.7
109.06538	11.6
109.10159	35.3
111.08086	4.4
117.07010	7.5
119.08569	14.3
121.06518	3.4
121.10168	14.7
123.08122	5.3
125.09639	7.2
131.08589	7.0
133.06519	4.2
133.08621	2.8
133.10120	10.6
135.08043	2.5
135.11690	4.8
137.09676	7.2
138.10394	3.4
139.11115	2.8
147.08086	2.9
147.11728	7.6
149.09552	3.6
155.10719	5.6
159.11813	2.6
161.09616	3.4
173.11763	16.0
173.13177	3.5
189.11211	2.8
211.13275	5.9
226.11160	3.0
262.98172	8.7
275.20126	5.3
280.55920	2.9
344.18326	5.1
361.99472	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	10.8
55.05513	49.3
56.01382	4.0
57.03436	8.4
57.07073	28.4
64.60875	4.4
67.05505	63.8
69.03413	5.3
69.07064	34.3
70.06590	23.6
71.05004	27.5
71.08629	21.4
71.39864	4.2
73.02921	4.8
79.05492	51.3
81.06621	7.4
81.07061	88.1
83.04962	14.1
83.08633	27.2
85.06542	8.4
88.07632	78.1
89.06020	9.1
91.05474	36.9
93.07043	64.0
95.04977	18.9
95.08604	48.5
97.06520	18.9
97.10160	20.7
99.08089	22.1
104.99271	25.3
105.03412	7.9
105.07043	34.1
106.08674	26.4
107.08593	34.6
109.10184	23.0
117.06954	6.8
119.08583	19.1
121.10126	22.2
123.08042	5.0
123.11688	9.6
125.09637	7.7
131.08611	11.0
133.10095	27.0
135.11671	35.5
139.11188	31.4
145.10028	5.5
147.11667	17.3
149.13203	30.7
151.11223	7.7
159.11664	22.0
161.13287	6.9
165.12799	8.6
165.14481	4.4
175.14801	10.3
177.12801	12.7
195.13803	22.0
203.12778	15.9
221.15459	5.4
227.16336	8.1
241.19467	5.1
259.20535	9.3
262.98203	22.7
277.21671	60.7
283.26242	20.8
291.23318	22.2
295.22684	9.0
309.24219	11.4
310.36948	4.9
344.31436	35.8
344.35223	100.0
345.20441	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.7
55.01867	5.1
55.05257	3.3
55.05511	46.8
56.05033	1.6
58.13667	1.4
58.48335	1.6
60.61594	1.8
67.05502	21.8
69.03432	4.5
69.07063	13.1
71.08632	37.4
79.05492	20.5
81.03419	2.4
81.07060	14.7
83.04969	2.3
83.08615	26.4
85.06525	2.5
91.05474	6.2
91.66101	1.6
93.07050	16.3
95.04989	3.7
95.08614	7.1
97.06543	2.1
97.10172	74.1
98.10500	2.3
98.23445	3.4
99.08091	25.7
104.99280	13.4
105.07012	3.7
107.04894	2.0
107.08597	24.9
109.06529	2.4
109.10178	6.7
111.08097	4.6
113.65574	1.4
117.07018	3.0
119.08603	4.7
121.10154	5.8
125.09629	69.8
126.09973	3.3
126.12827	3.9
127.11311	1.9
131.08620	1.9
131.53729	1.5
133.10127	3.1
135.08060	15.1
135.11688	6.6
135.63727	1.7
139.07549	5.7
145.10136	4.5
147.11720	4.3
149.13228	2.1
151.11142	13.1
153.09077	11.6
157.08597	2.9
157.12222	6.1
161.13255	5.6
163.11214	6.2
171.10176	3.9
171.11710	1.8
175.14850	2.4
177.12721	2.0
179.14357	5.0
185.11729	3.3
193.15865	3.6
203.12785	100.0
204.13184	3.3
212.16426	2.5
217.19524	2.3
225.18460	5.9
231.21127	2.2
241.19559	4.4
259.20529	7.8
262.98242	7.8
277.21628	54.1
278.21915	2.2
291.23187	13.3
292.23511	2.0
309.24265	28.2
310.24704	2.6
344.31393	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62414	3.3
53.03941	5.4
55.01876	12.5
55.05513	49.0
56.05031	3.8
57.03437	9.1
57.07079	14.5
62.37876	3.2
65.03949	4.2
67.05506	75.3
69.03423	6.1
69.07069	39.2
69.31461	16.5
71.05002	9.8
71.08630	41.3
72.08949	3.2
74.06079	7.9
79.05494	52.6
81.03403	5.8
81.07055	100.0
83.04969	20.6
83.08617	27.7
85.06544	9.9
88.07614	23.7
91.05476	43.6
93.07047	80.1
93.07600	5.2
95.04959	22.5
95.08603	56.5
97.06529	19.3
97.10175	12.4
97.32311	3.6
98.22690	6.6
99.08087	34.1
100.11256	6.8
102.85156	3.8
104.99286	17.4
105.07030	34.2
107.08593	34.9
108.50767	3.4
109.06500	7.8
109.10126	22.9
111.08061	6.6
117.07054	10.7
119.08583	23.7
121.06487	3.9
121.10146	28.1
123.08065	6.9
123.11722	11.2
125.09649	7.9
129.07034	7.1
131.08569	9.4
133.10147	25.5
135.11682	27.2
137.09612	7.3
139.07571	8.6
139.11188	49.6
143.08600	4.7
145.10130	9.9
147.11734	20.7
149.13242	24.3
151.11183	21.2
157.10094	7.2
157.68370	3.2
159.11705	13.6
161.13254	15.5
163.11223	10.9
163.14880	4.5
165.12773	9.3
171.11658	9.8
173.11732	8.0
173.13289	11.1
174.15710	3.6
175.11154	8.0
175.14868	9.2
177.12671	6.9
179.14362	4.5
193.12247	9.1
195.13853	14.2
199.14813	3.9
207.13742	7.8
217.19533	6.9
221.15414	6.8
231.21115	7.8
241.19514	15.2
247.13022	4.3
249.22115	6.3
259.20538	14.8
262.98160	16.9
265.21506	3.9
277.21625	74.7
278.21835	6.5
291.23096	19.8
298.31216	4.3
301.25113	4.3
309.24335	11.5
343.37637	30.4
344.31772	31.7
344.38031	72.6
345.20392	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	344.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	7.1
55.05517	31.0
57.03433	13.7
57.07073	12.5
62.70189	3.4
67.05505	100.0
69.07072	27.9
69.20777	24.0
70.06590	8.1
71.04683	4.3
71.05000	37.0
71.08622	10.7
79.05482	39.3
81.03406	9.4
81.07053	71.1
82.25356	3.8
83.04992	15.3
83.08619	19.9
85.06532	8.0
85.10181	4.1
86.65491	3.8
88.07641	19.5
89.06033	7.6
91.05471	24.6
93.07044	57.2
95.04975	14.3
95.08607	32.7
97.06515	11.2
97.10169	7.2
98.23495	7.2
99.08117	11.3
104.99266	40.4
105.07048	17.2
106.08669	7.8
107.08598	30.9
109.10155	39.3
111.08061	9.5
111.96241	4.4
119.08579	16.0
121.10133	13.9
122.74783	3.6
123.11717	13.8
125.09653	6.7
131.08595	7.8
133.10141	12.3
135.11699	16.0
137.09642	7.1
139.11180	19.1
143.14049	3.6
145.10152	6.5
147.11708	9.7
149.13287	19.7
151.11147	5.5
155.10629	12.4
155.14314	15.6
157.10153	5.1
159.11728	11.8
161.13266	6.8
163.14825	4.0
171.11665	4.6
173.11732	49.3
177.12766	9.2
177.16483	4.4
187.13263	7.6
193.12198	7.7
195.13742	28.0
217.19293	5.4
227.16496	4.7
241.23561	4.5
259.20493	7.0
262.98178	37.8
277.21613	33.5
283.26291	9.2
309.24234	4.6
328.43005	4.2
343.37607	17.9
344.25583	41.9
344.31616	12.7
344.38193	41.8
345.20355	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	345.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09151	3.1
56.96566	6.9
71.10241	3.0
85.02898	9.3
86.25798	2.7
97.02901	4.9
98.97604	8.9
110.97590	3.8
116.98599	4.7
143.00182	5.0
158.99745	3.5
177.00967	12.5
201.00890	18.7
214.96524	10.6
219.01996	92.5
220.02115	11.4
227.02556	22.9
238.96451	10.5
238.98811	4.0
255.03940	4.1
256.97601	77.4
257.97659	4.3
262.96411	3.4
267.02020	11.6
280.97455	9.0
284.99872	5.3
285.03052	9.9
298.98505	100.0
299.98563	8.7
303.00912	3.4
303.04114	51.6
304.04337	10.0
321.05069	8.7
321.99615	11.2
339.06284	7.9
345.02316	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	345.0985
Annotation	5,7-Dihydroxy-4'-methoxy-3-O-acetylflavanone
Peak:m/z	Relative Intensity
53.03936	1.6
55.01889	1.3
55.05513	8.1
56.96565	6.5
57.03421	1.6
64.11143	0.9
65.63728	0.9
67.05513	11.0
68.05828	1.1
69.03400	1.5
69.07075	6.2
69.79665	3.1
69.99220	0.9
71.02460	0.9
71.04985	1.7
79.05489	7.6
79.05908	1.4
80.01759	0.8
81.03428	2.9
81.07059	12.5
83.04977	3.0
83.08636	5.1
85.02893	1.4
89.70341	0.9
91.05463	7.9
91.49008	0.9
93.07046	10.0
94.07384	1.0
95.04990	4.5
95.08606	8.2
97.06489	1.5
97.10143	2.4
98.23405	1.4
104.99271	7.2
105.07022	6.1
107.04935	3.1
107.08631	5.6
108.08913	1.2
109.06509	2.2
109.10162	3.3
111.08062	3.2
117.06985	1.2
119.08572	4.1
120.08920	1.1
121.10124	5.6
122.10506	1.3
123.08070	2.6
123.11623	1.0
124.08356	0.9
125.09624	2.3
129.07036	0.9
131.08565	1.2
133.10118	4.4
134.10487	1.6
135.08083	1.9
135.11693	2.6
137.09610	1.6
139.11172	1.2
145.10106	1.7
147.11699	1.1
149.09607	3.0
151.11156	2.0
153.02284	1.2
153.09122	1.3
163.11224	1.3
167.10657	1.5
171.03325	3.3
173.11707	1.7
179.10622	1.3
181.05275	1.0
185.04861	2.8
190.91226	0.9
198.25122	1.0
199.06470	2.0
217.98593	1.2
226.21635	1.8
241.18756	0.9
251.09538	1.1
262.98093	8.7
263.07129	1.0
263.09506	6.3
273.18570	1.2
281.10580	28.1
285.07730	23.0
291.19598	1.6
299.11621	13.4
303.08801	20.0
304.12204	2.5
322.13342	1.1
326.10336	4.1
345.09824	100.0
345.16660	2.9
346.10184	4.3
363.10864	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	345.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
67.05494	0.9
69.03416	1.8
70.73823	1.0
70.90623	0.6
71.04952	0.6
71.62270	0.6
73.94308	0.7
79.05484	2.4
81.07051	1.2
85.02848	0.6
91.05474	2.4
93.07046	1.3
94.04193	3.0
95.08602	0.8
99.97984	0.6
103.05473	9.6
105.00116	1.1
105.07029	4.9
107.04961	1.9
107.07320	0.7
109.02849	0.9
109.06519	1.7
109.10184	1.2
115.05447	0.6
117.07037	1.3
119.04910	0.8
121.06504	2.8
122.03649	11.4
129.06990	0.8
131.04942	10.1
133.06488	17.8
135.08043	7.7
137.05980	100.0
137.09526	1.1
138.06357	2.4
145.06497	3.3
147.08026	1.2
149.06035	0.8
151.07561	5.7
157.06535	0.9
163.07545	32.2
165.09125	1.8
167.84543	0.7
171.07985	1.4
173.05902	0.9
175.07562	1.8
177.09021	0.7
187.07503	1.0
189.09146	1.5
203.10709	1.2
217.10271	0.7
235.11092	1.0
263.10706	2.5
295.13235	1.3
296.30453	0.7
327.15793	1.0
345.18240	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92981	1.1
58.49401	1.2
58.67997	1.0
61.52486	1.0
67.05488	1.1
69.28837	1.2
69.79260	3.6
71.04961	1.1
79.05486	4.4
81.07085	2.5
85.02893	1.4
91.05478	4.3
93.07027	3.1
95.04944	2.2
95.08587	2.2
100.66003	1.4
103.05458	14.3
104.05787	2.1
105.07016	3.1
105.34058	1.1
107.04957	4.7
107.08647	1.3
109.02851	1.4
109.06534	1.9
109.10116	1.7
111.08152	1.1
115.05486	2.4
117.07012	3.7
119.04913	1.8
121.06481	2.4
121.10010	1.2
122.03642	4.7
123.04383	1.5
123.08006	2.2
128.06181	1.2
131.04932	19.6
135.08089	2.2
137.05977	45.6
143.08559	1.7
145.06488	1.6
149.06023	1.4
151.07539	14.1
161.05919	1.8
162.06723	3.8
163.07536	35.7
164.07816	1.8
165.05492	6.0
167.07010	4.7
171.08067	1.3
175.07565	5.1
177.09108	100.0
178.09430	4.0
191.03316	1.9
191.07007	3.3
195.02863	2.6
195.10191	6.9
197.09863	1.7
203.10619	1.8
210.06830	1.8
221.11678	5.2
222.07516	1.3
239.07005	2.4
239.10735	1.2
253.08540	1.3
255.06610	1.3
285.11127	1.5
286.12067	1.1
295.09595	2.4
299.12674	3.1
313.10718	4.7
327.12195	2.4
345.09607	2.4
345.14053	5.0
345.14987	5.3
346.16214	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
58.46869	0.7
63.00750	0.6
66.30180	0.5
67.05511	0.8
74.56905	0.6
79.05495	2.5
81.07039	1.7
84.43476	0.7
91.05476	3.4
93.07029	0.9
94.04192	2.4
95.04957	1.2
95.08616	0.6
103.05464	8.9
105.07023	5.5
107.04950	2.5
109.06518	2.1
109.10154	0.7
115.05489	0.9
117.07011	2.2
119.04958	1.3
120.05737	0.6
121.06542	2.8
122.03634	9.4
123.08025	0.7
128.06215	0.6
131.04938	10.5
133.06487	17.5
134.06839	0.6
135.08041	6.4
137.05972	100.0
137.09604	1.6
138.06311	2.5
145.06508	2.7
147.08066	0.9
148.73108	0.5
149.05971	1.3
151.07516	4.9
157.06458	0.9
160.05197	0.6
163.07535	30.3
164.07896	0.7
165.09138	1.8
167.06990	0.6
170.05951	0.7
171.07979	1.4
175.07549	2.0
177.09114	1.0
179.08617	0.6
183.08032	0.8
189.09094	2.5
203.10640	1.0
232.31100	0.6
242.94728	0.6
245.09550	0.6
263.10681	1.5
264.07889	0.7
267.10336	0.7
295.13284	2.1
297.11124	0.8
327.15839	1.4
345.13281	1.0
346.96558	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16776	0.7
56.05017	0.9
57.07079	1.5
67.05489	0.9
69.07066	1.3
70.06577	4.2
79.05511	0.9
81.07056	1.3
84.04232	0.7
88.07634	15.8
89.07974	2.6
95.08575	1.5
104.99271	30.0
106.08678	4.4
109.10133	0.8
191.27524	0.9
198.98920	1.1
233.54306	0.8
262.98178	25.8
263.98584	1.1
283.26202	1.0
284.26682	3.8
298.31073	1.8
323.41299	0.8
327.19476	1.5
344.31604	1.8
345.20367	100.0
345.31744	7.6
346.20834	7.7
346.27060	5.1
346.33206	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	345.2271
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
55.05511	16.4
57.07078	17.1
58.00347	4.0
67.05518	4.2
69.03430	8.5
69.07071	100.0
69.75973	4.2
70.69594	9.0
73.02914	12.7
74.00791	4.2
79.05482	5.4
81.07063	13.6
83.08646	9.2
84.35821	4.5
91.05466	7.6
93.07063	5.3
94.04188	5.4
95.08629	11.2
97.06534	9.6
97.10181	21.5
99.11707	7.1
105.07074	6.9
107.04971	8.6
107.08610	8.5
109.10172	7.1
111.08057	7.7
111.11721	37.7
117.85728	4.5
121.02902	5.3
121.10145	18.1
124.59795	4.8
125.09657	5.3
131.04967	12.7
133.10004	5.3
135.11671	8.0
136.06264	4.7
137.05974	13.8
137.09610	6.3
137.13229	10.5
139.11153	37.4
146.06001	4.9
151.07581	5.9
163.07497	10.7
165.07039	5.7
167.07077	6.6
174.05502	6.2
177.09131	26.3
177.16400	34.1
179.51286	4.7
181.06381	6.1
191.06923	6.2
195.17479	56.2
197.09796	4.8
198.06860	4.3
211.07550	7.1
213.18459	29.5
223.08310	9.7
226.06335	13.2
227.06995	4.3
237.08800	4.0
239.07047	26.9
239.10681	6.0
254.05878	4.6
267.10257	6.3
269.07950	5.0
285.11151	10.2
295.09595	7.1
299.09204	14.7
299.12662	6.7
301.11008	4.5
313.10733	47.8
314.11111	7.7
327.12473	13.3
345.13373	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	21.2
59.42765	6.3
67.05510	39.3
69.07070	100.0
69.98434	16.4
69.98782	7.8
78.14712	5.0
79.05072	8.9
79.05490	46.9
81.07054	51.3
83.08634	8.9
85.06477	5.3
91.05464	37.6
93.07052	63.3
95.08622	41.6
98.22723	6.4
105.07018	54.6
106.42764	5.8
107.08578	38.1
109.10172	18.5
117.07041	7.8
119.08588	45.0
121.10145	27.5
123.11750	5.7
131.08598	14.0
133.10146	41.3
135.11674	23.3
145.10115	10.7
147.11665	32.7
147.65370	5.4
149.13248	17.6
159.11652	9.9
161.13269	17.0
173.13263	8.2
175.14819	11.7
189.16286	8.1
224.56053	5.7
265.97546	5.8
275.20050	7.7
277.21555	33.2
345.24167	9.8
345.27887	84.4
365.05402	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	346.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08821	5.7
55.05517	39.9
57.03445	8.4
67.05503	82.9
69.07071	32.9
70.71059	10.8
79.05489	41.3
81.07063	95.0
83.04982	11.7
83.08617	23.8
91.05476	35.1
93.07037	42.4
95.08617	36.0
97.06531	11.1
97.10165	23.4
105.07034	30.0
107.04997	9.8
107.08614	51.2
109.10163	48.1
111.08069	7.9
117.06999	12.9
119.08588	26.0
121.06490	6.9
121.10181	11.7
125.09642	16.1
131.08595	14.8
133.10152	30.3
135.11707	17.4
145.10135	8.8
147.11694	9.1
149.09622	9.1
149.13281	26.0
155.10641	27.0
159.11707	18.8
163.11212	9.5
172.42274	6.1
173.11758	71.1
173.13139	6.8
177.12781	11.8
189.11261	26.1
195.13792	71.5
204.34427	5.6
213.14816	45.6
257.19012	16.1
275.20050	100.0
291.30103	7.4
293.21140	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	346.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19572	1.3
55.05511	8.8
57.03434	3.8
57.80813	1.4
67.05500	15.1
67.38169	1.4
69.07073	9.7
69.80867	4.4
69.87180	1.5
71.04981	1.7
71.84336	1.4
73.06566	1.4
73.73058	1.6
77.03936	2.0
78.81956	1.3
79.05493	13.3
80.58984	1.4
81.03407	1.7
81.07055	22.5
83.08610	4.6
91.05469	14.8
93.07040	14.0
95.04962	4.3
95.08604	21.7
97.06535	3.4
97.10134	3.9
99.08099	5.2
105.07030	15.7
107.04955	13.9
107.08595	15.4
109.06516	2.8
109.10168	9.0
111.08096	2.7
117.07010	5.6
119.08577	18.7
121.10138	14.9
123.11758	2.7
125.09618	4.5
129.06996	2.5
131.08560	6.3
133.10135	14.7
134.10464	1.7
135.08043	3.3
135.11676	4.7
137.05945	3.2
137.09576	3.7
143.08531	2.0
145.10127	9.8
147.11653	12.6
149.09560	4.6
149.13211	1.7
151.11148	3.7
153.09047	2.1
154.25717	1.5
155.08563	2.0
157.10136	2.8
159.11658	4.4
161.13264	3.9
163.11157	5.0
171.11673	4.4
173.13249	3.6
189.11211	2.4
213.16377	6.2
231.17549	7.4
235.16872	6.1
239.17903	4.4
243.99748	1.9
249.18478	31.7
250.18617	1.9
257.19022	4.6
267.19604	2.7
275.20056	100.0
276.20444	6.2
293.21069	7.6
311.22205	15.1
312.22604	1.8
346.12650	9.6
346.20074	3.4
347.14633	3.4
347.18259	92.9
351.46893	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09478	0.4
64.72365	0.3
69.37843	1.0
69.38245	1.0
69.88729	0.4
70.06590	1.3
70.99847	0.6
82.99803	3.4
85.02911	1.2
101.00884	16.7
102.00967	1.1
107.04984	0.6
111.40559	0.4
113.00887	1.2
113.03504	0.5
115.02434	0.6
119.01923	15.8
119.02773	0.8
121.10288	0.4
123.04420	1.2
131.01900	1.7
136.99905	0.4
137.02936	0.9
143.01900	100.0
144.02017	5.2
145.03476	0.7
155.01904	1.3
157.03516	0.6
161.02960	76.0
162.03104	4.6
173.02968	1.1
184.04535	1.1
185.06575	1.4
185.09209	3.0
197.06609	0.6
203.04012	44.5
204.04169	2.8
209.06586	1.0
221.05066	1.4
227.07561	2.2
239.07478	0.4
269.08679	0.7
287.09756	18.9
288.09741	2.0
305.10730	1.2
347.11945	6.3
348.12250	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47670	0.6
55.05504	1.6
56.96555	0.6
57.06825	0.9
57.07079	11.4
58.06590	2.7
64.08706	0.6
67.05498	1.3
68.24751	0.6
69.07069	1.4
70.06590	23.0
70.16992	1.0
71.01348	1.8
71.08616	4.8
72.08149	0.8
79.05483	1.6
80.99315	0.7
81.03391	0.6
81.07051	2.3
83.08619	0.6
85.10173	1.8
88.07629	29.2
89.07947	1.1
91.05485	1.4
93.07053	1.5
98.22714	0.6
102.09179	17.0
103.09549	0.9
105.07014	1.0
107.08581	1.1
109.30209	0.6
132.10194	1.5
141.37720	0.6
142.44774	0.7
146.11766	0.9
150.11288	1.4
156.37952	0.6
171.93181	0.6
240.26822	1.5
284.29462	40.6
285.29819	15.0
324.15491	0.8
328.32028	2.6
329.32489	1.3
346.33142	100.0
347.16080	5.4
347.21915	5.1
347.33487	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	347.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46841	1.2
55.05490	1.4
56.96568	17.3
67.05502	4.5
81.07053	2.3
86.66536	1.6
91.05469	2.1
95.08651	1.8
97.96788	2.5
105.07011	1.8
107.08566	1.7
109.10148	3.8
110.97579	2.6
110.98640	1.4
113.06014	4.0
119.08574	2.0
121.10130	1.3
128.98618	2.4
134.75934	1.3
135.36864	1.3
171.03258	3.2
173.04884	1.6
173.11765	3.7
182.85367	1.4
184.53633	1.5
185.04857	2.1
189.04314	1.9
199.06445	2.5
203.05917	3.8
223.09390	3.9
227.05956	2.1
229.07597	1.4
243.09207	1.4
261.14859	2.3
281.10782	2.9
289.11176	2.1
292.50772	1.3
307.11969	1.9
329.14145	14.1
345.29062	1.4
347.15146	29.0
347.18286	100.0
348.14984	2.1
348.18979	7.4
365.16348	14.4
366.16678	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1702
Annotation	Rehmapicroside
Peak:m/z	Relative Intensity
53.03946	0.9
55.05497	0.9
57.03415	2.9
57.07071	0.8
65.22658	0.7
67.05498	3.3
69.03426	1.1
69.07049	2.4
69.73337	2.2
69.73691	0.8
71.04980	0.9
79.05495	7.6
80.56056	0.7
81.07059	41.2
85.02895	3.2
85.06538	0.8
91.05484	1.8
93.06456	0.9
93.07048	18.4
95.08607	8.9
97.02872	1.5
97.06512	2.2
99.04467	1.0
105.07014	2.5
107.08592	1.9
109.06557	0.8
109.10155	5.2
111.04443	0.8
111.08088	1.0
121.06514	1.7
121.10149	24.5
122.10482	1.1
123.11719	8.2
125.06013	5.7
127.03892	1.2
131.04820	1.1
131.08569	1.0
137.05980	2.1
139.11180	10.9
146.06023	1.8
147.04349	1.5
149.09628	3.1
163.07605	0.9
163.57430	0.8
167.10687	11.2
174.05479	3.3
175.07571	1.0
185.11729	100.0
186.12122	4.4
208.76082	0.8
241.09811	0.9
283.10629	1.3
329.11310	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	347.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.1
56.96557	0.6
65.77715	0.5
67.05498	1.0
69.07057	1.8
71.45180	0.7
73.96509	0.5
79.05488	1.8
81.03398	0.8
81.07063	4.5
83.08598	1.4
91.05475	1.9
93.07032	2.5
95.04945	0.8
95.08601	3.4
99.59341	0.6
105.07018	1.8
107.04930	0.9
107.08587	1.3
109.06528	0.9
109.10153	2.2
111.08051	1.0
114.49062	0.6
119.08581	1.3
121.10168	1.2
123.11699	1.4
131.08577	0.6
133.10130	1.5
137.13222	1.0
145.10117	0.7
147.11671	0.8
149.13200	0.7
159.11719	0.6
194.78485	0.6
205.07967	0.6
250.18645	1.1
276.20355	4.7
283.08527	0.6
311.78894	0.6
312.22260	0.7
329.17230	1.3
347.18274	100.0
348.18546	5.7
348.22150	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2195
Annotation	Cortexolone
Peak:m/z	Relative Intensity
55.01892	0.3
55.05502	0.6
55.61412	0.2
56.96554	0.6
57.07076	1.3
58.07385	0.2
67.05499	0.9
69.07068	1.0
69.42744	0.4
69.43114	0.4
70.06586	2.1
71.06952	0.2
71.08625	0.8
74.02740	0.2
79.05502	0.8
81.07063	1.9
85.14984	0.2
88.07629	3.7
88.08129	0.4
89.07977	0.4
91.05486	0.8
93.07036	1.0
95.04968	0.3
95.08602	1.0
97.06557	0.3
97.10165	0.3
102.09180	1.7
103.09465	0.5
105.07014	0.4
107.08577	0.8
109.06517	0.7
109.10175	0.6
112.17008	0.2
118.17027	0.3
119.08595	0.6
120.06931	0.2
121.10139	0.5
123.08068	0.5
123.11674	0.3
133.10110	0.5
135.08055	2.0
135.11722	0.4
137.05960	0.9
145.10217	0.2
147.11653	0.4
151.07527	0.5
175.11208	0.3
177.12807	0.5
179.14316	0.4
181.12437	0.3
209.11464	0.4
261.14697	0.9
268.50504	0.2
270.47775	0.3
284.29422	3.7
285.29828	3.6
291.19345	0.3
298.17987	0.3
305.24905	0.6
319.22446	0.6
319.26376	0.8
329.14294	0.5
329.24796	1.0
329.32574	0.5
346.33145	7.4
347.16321	6.8
347.21933	100.0
347.25711	7.4
347.33383	11.8
348.16638	0.5
348.22256	6.4
348.26285	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10312	0.8
55.01871	2.3
55.05500	3.1
57.07075	1.4
67.05504	4.3
69.07053	3.7
70.06604	0.9
71.45204	1.0
73.47956	0.9
79.05480	2.8
81.07054	5.6
83.05001	1.6
83.08598	1.3
88.07623	2.0
91.05473	4.1
93.07040	4.1
95.08598	4.1
97.06534	2.7
97.10141	0.9
100.56192	1.0
103.68852	1.0
105.07019	4.4
107.08590	5.2
109.06517	2.7
109.10186	1.2
119.08564	3.1
121.10152	2.4
123.08087	5.5
123.11689	1.3
131.08571	2.4
133.10110	2.7
135.08044	92.3
136.08340	1.8
138.08917	1.1
145.10162	1.9
147.11685	1.9
148.08841	1.3
149.09589	6.1
159.11739	1.5
161.09598	6.3
173.13268	1.0
173.98558	0.9
175.11086	1.4
177.12733	30.3
191.14305	3.0
193.12158	2.1
256.07358	2.0
291.19443	2.5
329.24603	2.5
346.33133	4.1
347.12854	3.5
347.21841	97.1
347.25818	100.0
347.33334	3.7
348.22144	6.5
348.26147	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	347.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28792	0.4
57.07082	2.9
58.06600	0.7
61.08958	0.4
69.39927	0.9
69.40311	0.8
70.06594	5.7
71.06918	0.6
71.08618	1.2
88.07637	8.3
89.07974	1.2
91.05462	0.5
102.09174	5.0
103.09515	0.6
122.14282	0.4
127.39204	0.4
129.82111	0.4
135.08040	0.4
137.15071	0.4
256.07153	0.5
284.29498	8.5
285.29843	7.9
292.95569	0.4
328.32236	0.6
329.32413	0.7
346.33170	19.1
347.21924	100.0
347.33463	21.2
348.22345	5.6
348.33926	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	8.8
56.96538	1.7
57.07058	4.1
64.90436	1.3
65.03923	2.0
67.05502	8.9
69.07063	25.1
71.08608	1.4
71.43860	1.3
79.05489	6.1
81.07056	35.8
83.08626	11.6
85.06578	1.6
91.05472	3.7
93.07039	9.4
95.08601	28.7
95.18043	1.6
97.06521	2.1
97.10160	6.4
99.08062	3.1
105.07035	2.9
107.04911	3.2
107.08609	8.6
109.06507	2.0
109.10157	18.3
111.08066	1.6
111.11724	6.0
119.08569	2.8
121.10142	6.4
123.11707	13.9
125.09592	1.9
125.13264	4.6
131.08521	1.5
133.10188	2.6
137.13249	10.6
142.93069	1.5
147.11679	1.7
149.13263	8.6
151.03920	4.1
151.14787	4.2
155.14348	2.2
163.14825	2.8
164.10818	1.6
165.16345	2.0
167.14368	4.1
272.08807	2.4
275.27344	4.0
283.08536	2.0
287.82684	1.6
293.28378	10.5
293.44531	1.4
329.17203	5.0
331.53940	1.8
347.18286	100.0
347.23080	4.9
348.18430	10.8
348.25439	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81481	4.5
55.05509	19.7
57.07063	17.5
67.05514	37.7
68.99826	4.9
69.07062	52.5
69.86949	4.6
70.04835	4.9
70.05180	10.0
78.12749	4.0
79.05487	16.5
81.07058	100.0
83.08610	30.1
85.06541	13.9
91.05492	7.1
93.07044	24.9
95.05004	8.0
95.08602	84.8
97.06528	6.4
97.10178	15.0
105.07066	8.9
107.08591	24.0
107.38655	3.9
108.05317	5.1
109.10178	46.1
111.08102	11.7
111.11735	12.4
119.08557	5.4
120.61633	4.2
121.10141	14.1
123.11718	35.2
125.13285	9.4
129.69441	4.7
131.04933	4.7
135.11697	8.3
137.13300	28.5
149.13254	37.4
149.81210	4.8
151.14812	8.7
153.12781	5.3
163.14758	7.1
165.16339	5.0
167.14339	19.2
275.27460	10.4
286.21512	7.9
293.28433	18.4
321.57837	4.2
329.17157	6.0
347.14554	28.4
347.18329	40.2
347.22253	6.2
347.24271	5.5
348.18552	8.4
348.25363	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.01863	1.2
56.27389	0.5
57.03434	1.6
61.02918	2.1
69.03426	4.5
69.24055	1.7
69.24460	0.9
70.42905	0.4
71.04983	1.4
72.08150	0.5
73.02908	1.3
75.46844	0.4
81.03416	2.5
81.07043	0.7
83.76863	0.6
85.02404	1.0
85.02907	18.7
86.09702	1.2
87.04467	0.8
91.03941	1.4
91.05476	12.4
93.07030	1.1
95.04958	2.0
97.02892	5.3
98.22740	1.1
99.04466	1.1
100.07637	0.6
105.07063	0.6
109.02867	1.6
109.77259	0.5
111.08044	0.5
119.04935	12.3
123.08038	0.7
127.03916	3.8
129.07060	0.4
133.06459	0.7
133.10094	0.7
136.05173	1.7
136.06137	0.5
137.05968	0.8
137.14226	0.5
145.04953	5.6
148.07527	0.6
151.07539	100.0
152.07886	3.1
165.09074	0.9
168.10211	1.4
169.08607	9.5
169.12276	1.9
180.08684	2.1
186.11243	2.3
193.08661	0.9
208.96664	0.5
223.89351	0.5
259.09692	0.6
277.10944	0.6
285.36636	0.4
345.19672	0.6
348.16956	1.8
349.08926	0.7
349.17865	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04976	0.8
64.88780	0.6
65.82420	0.6
67.05501	4.7
69.03429	0.8
69.07086	0.9
69.34864	0.8
69.38360	3.8
71.51256	0.7
79.05490	2.6
81.03455	0.8
81.07062	5.9
82.07398	1.2
85.02902	4.0
86.03235	0.9
90.10567	0.7
91.05468	2.5
93.07039	2.4
94.07374	1.1
95.04955	3.7
95.08611	2.4
105.07028	3.4
107.08590	7.0
109.06520	4.1
109.10158	100.0
109.93755	0.8
110.10479	3.9
111.04459	0.8
119.08607	1.7
119.25728	0.6
121.06536	0.8
121.10168	5.7
122.10472	5.4
123.11700	5.7
124.12031	1.3
128.04955	2.2
129.07013	2.5
133.06491	1.8
133.10100	3.5
137.06001	0.8
145.05011	0.8
146.06012	20.9
147.08012	0.7
150.09929	1.0
151.11179	71.2
152.11501	1.6
153.76526	0.7
157.06487	1.8
165.05466	0.9
168.11026	2.0
169.12236	47.7
170.12616	1.7
174.05508	23.3
175.05899	1.4
175.07466	1.5
179.06995	1.9
203.06960	0.7
221.08087	0.7
235.09633	1.5
249.07590	1.0
258.11673	0.8
281.10336	1.0
330.09769	1.3
331.17511	1.8
348.10773	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	348.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	5.8
55.03423	3.9
55.05510	37.7
57.03435	5.5
59.04991	4.5
67.05162	5.9
67.05499	92.4
69.07059	21.9
70.26759	10.5
71.04995	5.2
71.08605	9.9
79.05501	26.1
79.65641	3.7
81.07052	58.0
83.08601	22.7
85.06550	4.6
87.80753	3.9
91.05473	17.9
93.07029	34.9
95.04958	5.0
95.08599	22.9
97.06526	7.1
97.10171	24.2
98.22907	5.0
99.08097	12.1
105.07029	9.8
107.08590	19.7
109.10146	54.4
111.08064	6.8
117.07031	9.5
119.08579	11.5
121.10141	12.0
125.09623	11.6
133.10202	11.0
135.11703	12.7
147.11705	6.0
149.13269	22.4
151.11171	7.4
155.10652	39.0
159.11676	11.0
161.13223	6.6
163.11212	5.9
169.41173	4.0
171.10114	4.3
173.11728	100.0
177.12782	5.8
179.14328	6.4
189.11252	22.3
195.13794	56.4
195.15385	6.6
213.14885	32.3
259.20453	6.6
277.21619	49.4
295.19855	3.9
295.22656	24.8
348.18509	10.9
349.19885	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33785	0.2
52.43053	0.3
57.15025	0.3
61.02922	0.6
63.88110	0.3
69.03420	0.5
69.66438	0.7
69.66831	0.6
75.17924	0.3
78.67757	0.3
79.05508	0.3
81.07047	0.3
85.02900	0.9
86.85892	0.3
93.07039	3.2
95.04928	0.3
97.02883	0.4
98.23503	0.4
105.06969	0.3
107.04956	0.3
107.08602	2.3
109.02696	0.3
111.08075	1.1
122.07168	0.4
135.08031	1.1
136.62422	0.3
151.07532	0.3
151.11177	0.7
153.09093	3.0
169.12256	0.6
171.10175	7.8
187.09418	6.6
204.11627	0.3
206.29745	0.3
302.83582	0.3
349.14679	100.0
350.14984	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	349.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37508	4.0
55.01873	5.0
55.05496	13.3
56.96564	60.9
57.03438	14.5
59.18184	3.8
60.15013	3.9
60.35239	3.5
63.28168	3.7
67.05518	24.8
69.07060	16.1
69.79768	13.2
79.05505	26.4
81.07054	28.1
81.78671	4.4
83.04973	7.2
91.05479	21.0
93.07050	27.7
95.08607	16.0
105.07043	30.6
107.04986	7.6
107.08588	18.4
109.06493	13.0
109.10167	9.4
110.97610	4.7
112.44910	4.4
117.07037	6.6
119.08564	17.2
121.06493	13.2
121.10166	5.6
123.07967	6.5
131.08583	10.1
133.10141	13.9
135.08086	5.7
135.11752	5.9
137.02765	6.0
145.10115	15.4
147.11671	14.1
151.11212	9.3
157.10143	4.8
159.08104	4.6
159.11650	8.7
163.11192	5.9
173.09679	5.5
199.06451	14.8
201.08052	6.8
207.14012	5.1
211.06364	13.5
213.07953	37.3
217.07553	6.4
221.63429	4.5
225.08163	6.3
229.07483	61.6
229.19572	5.4
231.09039	32.5
243.09065	15.0
247.08513	26.9
247.20555	7.3
257.18915	21.9
261.10239	5.5
275.20056	97.3
276.20349	9.0
293.21078	9.4
331.15729	10.1
349.16956	100.0
349.23602	41.5
350.17572	6.3
367.17929	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	349.1776
Annotation	Imidocarb
Peak:m/z	Relative Intensity
55.05519	7.3
56.96566	13.5
64.22144	3.8
67.05505	5.4
69.07061	7.1
69.50022	18.6
79.05494	17.0
81.07050	18.3
91.05482	11.5
93.07047	7.3
93.75587	4.4
95.08586	13.1
105.07027	16.9
107.08595	9.1
119.08585	8.8
121.10102	5.1
127.98450	3.7
128.98672	4.8
129.52905	3.6
131.08563	5.4
133.10114	9.0
145.10127	7.8
145.11267	3.9
243.09084	9.4
261.10138	4.9
275.20151	9.5
292.24670	4.7
309.52200	4.1
331.15836	38.6
349.17102	100.0
349.23883	17.3
350.17917	9.4
367.17914	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	349.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.2
56.96557	8.1
57.07075	7.3
58.06596	1.8
58.07410	2.6
59.06931	1.2
65.11811	0.6
67.05495	2.1
69.03437	1.5
69.07053	2.0
70.06585	14.2
71.06920	5.2
71.08619	3.5
71.95263	0.9
72.08947	1.0
75.25153	0.7
79.05479	1.9
81.07040	3.3
83.08608	1.3
88.07625	15.2
89.07961	8.0
90.08010	1.9
91.05473	1.6
93.07047	2.2
95.05013	0.6
95.08589	1.9
97.96802	3.2
102.09172	6.8
103.09490	5.5
104.09663	1.1
105.07160	1.0
107.08590	1.8
109.06512	2.1
109.10172	1.4
110.97567	2.4
115.97824	1.4
119.08559	1.6
123.08043	5.2
128.98598	2.2
131.08553	1.0
133.10196	1.1
135.08078	0.7
135.11740	0.8
145.10138	0.9
147.11989	1.0
171.03270	1.4
179.12859	0.9
179.14293	8.9
185.04868	1.0
189.08899	5.3
195.10001	0.9
199.06436	1.2
203.05962	1.0
205.07478	1.1
205.12039	3.9
213.08093	1.2
213.09837	1.0
217.07443	1.3
221.11447	1.4
225.08069	0.8
226.08655	1.0
231.10883	1.6
239.09497	2.0
241.11099	8.8
259.12155	7.3
261.14465	1.9
263.12579	3.8
269.10577	1.3
275.20313	0.7
284.29340	5.3
285.14539	0.9
285.29761	9.5
286.30099	32.6
287.30374	7.1
301.21399	3.3
303.15665	2.8
313.21603	1.1
316.12000	1.2
330.32806	3.5
331.15732	2.3
331.22528	1.0
332.19446	1.4
348.33743	100.0
349.16333	13.1
349.20178	4.6
349.27362	11.8
349.33987	29.0
350.17026	1.1
360.12585	0.8
367.17886	17.3
368.17810	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1984
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
50.24729	0.4
70.46603	0.7
92.19605	0.4
100.14635	0.4
104.60706	0.5
115.03252	0.4
131.14207	0.5
137.05727	1.5
159.11440	0.4
172.07303	0.4
214.92816	0.5
235.13112	0.5
255.31624	0.4
257.49167	0.5
261.14490	0.7
284.58920	0.4
349.19833	100.0
350.20142	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	349.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54025	0.4
69.10122	2.9
85.60616	0.4
87.27664	0.4
116.08358	0.4
122.57303	0.3
133.70515	0.4
137.05693	2.1
221.11493	2.4
235.13011	0.7
250.71407	0.4
331.18842	0.5
349.19827	100.0
350.20190	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	349.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.7
55.05507	0.7
57.03428	0.6
67.05502	2.1
69.07048	1.2
69.75444	1.0
79.05481	1.5
81.03430	0.3
81.07055	2.3
91.05474	1.5
93.07037	1.1
95.08598	1.4
97.06536	0.8
98.23404	0.4
105.07020	1.8
107.04955	0.3
107.08581	0.6
109.06550	0.6
109.10188	0.4
117.07017	0.7
119.08575	1.4
121.10110	0.3
123.08068	0.4
131.08565	0.7
133.10123	0.9
145.10072	0.6
147.11639	0.6
159.11699	0.4
161.13300	0.4
169.98935	0.4
179.14258	0.6
194.69218	0.3
195.02760	0.3
255.27782	0.3
257.18930	0.5
275.20123	2.0
339.55371	0.4
349.19843	100.0
350.20145	7.2
350.23965	0.6
357.78748	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.0
55.05503	4.3
56.08205	1.1
56.96579	1.3
57.03433	2.6
57.07071	3.0
64.18396	1.1
67.05493	9.6
69.07074	8.0
71.05003	1.3
71.08627	1.9
71.45816	1.4
79.05487	9.4
81.03413	1.3
81.07048	12.6
83.04969	2.6
83.08605	2.5
85.13184	1.0
88.07640	1.2
91.05487	5.9
93.07040	9.1
95.04958	3.4
95.08624	8.5
97.06526	2.5
99.08064	1.2
105.07012	8.4
107.04951	5.8
107.08609	5.3
109.06518	6.4
109.10155	3.1
117.06973	1.5
119.08599	7.1
121.10112	3.9
123.08072	20.5
123.11729	1.6
129.06895	1.1
131.08557	2.9
133.10088	5.8
135.08061	2.6
135.11653	2.6
137.09663	1.3
137.13191	1.2
137.73492	1.2
145.10159	1.8
147.11650	3.3
149.09581	2.4
149.13275	1.8
159.11688	3.5
161.95004	1.2
163.42912	1.1
165.12752	1.2
171.11778	1.1
177.72394	1.0
177.91960	1.2
179.12808	2.2
179.14297	27.9
184.96643	1.0
187.11218	1.8
193.15764	1.2
214.27670	1.0
257.19208	1.2
266.97400	1.6
275.20001	9.7
286.30103	2.1
293.21124	4.1
305.20804	1.1
312.98383	1.1
331.26212	10.6
348.33780	6.8
349.19760	100.0
349.23474	38.3
349.27365	50.7
349.34052	2.6
350.20053	5.8
350.23621	2.0
350.27521	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	349.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
60.53292	3.5
67.05511	4.7
69.63434	9.3
69.63826	8.8
81.07058	7.2
82.00320	16.8
91.05490	4.4
95.01088	9.0
95.08629	4.1
98.23471	7.5
104.99268	3.6
108.06943	3.4
114.55379	3.6
123.08091	6.1
133.02623	14.1
133.06259	13.0
135.07918	3.8
137.05775	4.1
151.07338	5.6
152.08063	4.5
163.07335	4.0
163.10965	4.6
165.05180	18.5
165.08911	6.2
179.14297	9.2
180.11182	9.5
189.08858	40.7
191.10382	5.7
195.09966	35.3
204.11182	3.6
208.10846	5.2
221.11499	51.8
222.12286	19.7
237.11009	6.7
260.96481	5.1
261.14566	5.9
263.12619	39.7
264.12869	3.8
273.18237	5.3
276.13226	5.0
281.79239	3.6
285.14575	3.5
303.15744	7.0
315.19229	10.0
316.19839	5.1
331.18875	17.8
332.19537	39.6
349.19983	100.0
349.27136	13.4
350.20078	7.5
358.14731	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	349.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.8
57.03433	0.5
57.07063	2.0
65.26130	0.3
66.56004	0.3
67.05500	2.8
69.07066	3.9
71.04996	0.8
71.08634	1.3
74.95037	0.3
79.05500	2.2
81.07053	5.0
83.04993	0.4
83.08602	2.0
85.06540	1.0
85.12587	0.3
91.05482	1.1
93.07042	3.3
95.08605	4.7
97.06521	0.6
97.10133	0.4
99.08111	1.0
105.07028	1.8
107.08606	3.1
109.06513	7.2
109.10164	2.2
111.08129	0.7
112.99950	0.3
117.07022	0.3
119.08598	2.1
121.06454	0.3
121.10163	1.5
123.08065	22.4
123.11687	0.9
124.08424	0.4
125.09621	0.4
131.08600	0.5
133.10123	1.4
135.08008	2.2
135.11697	0.9
137.08720	0.3
137.09604	1.5
145.10132	1.0
147.11671	1.0
149.09576	0.5
149.13260	0.9
159.11665	0.6
161.13380	0.7
165.12715	0.4
167.14313	0.4
175.14874	0.6
177.12801	0.4
179.14307	24.6
180.14713	0.9
193.15927	0.4
209.11508	0.3
232.24725	0.4
233.19083	0.6
235.13167	0.5
249.14717	0.5
274.17340	0.3
275.20108	0.6
289.25253	0.6
293.21100	4.5
294.21515	0.3
325.69757	0.3
331.26279	2.4
349.23462	100.0
349.27417	53.5
350.23810	8.0
350.27737	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	349.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35769	0.5
55.05511	1.1
57.07072	2.2
64.67236	0.6
67.05507	2.3
69.07064	2.0
70.67371	0.8
79.05487	1.5
81.07066	3.8
83.08624	0.9
91.05490	1.2
93.07053	1.2
95.08597	3.3
97.10186	0.6
99.08125	0.6
105.07004	0.8
106.55737	0.7
107.08608	1.5
109.06519	7.1
109.10161	1.2
119.08593	1.2
123.08073	19.9
133.10129	0.8
135.08092	1.8
135.11685	0.8
137.09651	1.4
145.10089	0.7
179.14325	22.4
180.14676	1.1
193.15904	1.1
195.10056	0.7
198.17151	0.6
209.83798	0.6
268.29742	0.6
293.21048	3.1
331.26315	1.1
349.23477	100.0
349.27457	34.2
350.23834	8.4
350.27719	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	349.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98682	0.6
55.05507	3.9
57.03424	0.8
57.07076	4.1
61.97463	0.6
65.03945	0.6
67.05505	5.1
69.07066	6.6
69.54211	1.8
69.54613	1.1
71.08632	2.3
79.05500	2.9
81.03400	0.7
81.07057	8.7
83.08619	2.6
85.06541	1.9
91.05473	2.8
91.06425	0.6
93.07040	5.2
95.04961	1.0
95.08600	7.9
97.06535	1.1
97.10159	0.9
99.08096	1.5
105.07024	3.7
106.82723	0.5
107.08588	3.9
109.06516	16.0
109.10163	3.1
111.08047	0.9
117.06963	0.7
119.08606	3.4
121.10133	3.7
122.07285	1.4
123.08067	50.8
123.11671	1.6
124.08394	1.0
125.09624	0.8
131.08580	0.7
133.10129	2.3
135.08041	4.8
135.11691	1.7
136.08855	0.7
137.09608	2.6
137.13225	0.7
145.10118	1.5
147.11632	1.8
149.09630	1.1
149.13220	1.0
159.11691	1.4
161.13208	1.0
179.14305	82.7
180.14622	3.1
192.15108	0.6
193.15863	1.8
263.83701	0.7
275.20029	2.1
289.25223	0.7
293.21082	8.4
294.21344	0.7
331.13513	1.5
331.26331	3.3
349.23419	97.9
349.27393	100.0
350.23758	6.3
350.27728	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	349.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.7
55.05518	3.0
57.07077	2.2
59.95543	0.6
60.36353	0.6
67.05516	4.3
69.07065	5.6
71.08624	1.7
79.05499	3.1
81.07053	5.8
83.08615	2.3
85.06545	1.3
91.05470	1.8
93.07056	3.0
95.08599	5.5
98.22687	1.2
99.08078	1.2
105.07040	1.7
107.08601	3.7
109.06512	9.6
109.10158	2.4
111.08086	1.0
119.08578	2.5
121.10166	3.4
123.08067	34.3
123.11692	1.1
124.08398	1.2
130.54977	0.6
133.10144	1.8
135.08046	3.5
135.11700	1.2
137.09602	2.1
142.07635	0.6
145.10109	0.8
147.11688	1.1
149.09560	0.9
149.13258	1.6
159.11726	1.1
160.42628	0.5
161.13213	1.0
163.11169	0.7
165.12646	0.6
179.14305	36.0
180.14618	1.6
193.15825	0.8
193.66757	0.7
243.67224	0.7
249.14624	1.5
275.20096	0.8
293.21130	8.1
296.92957	0.9
331.26218	2.9
349.23431	100.0
349.27393	73.3
350.23773	8.2
350.27728	5.4
353.31265	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
55.01870	7.9
55.05259	1.9
55.05510	28.9
56.05840	1.2
57.03441	10.2
57.07094	1.1
57.10002	1.1
65.03928	2.0
67.05502	32.2
69.03419	2.4
69.07066	13.2
69.60026	2.1
69.60410	2.9
71.04994	2.2
77.03921	2.5
79.05492	65.5
80.05779	1.3
81.03414	3.3
81.07053	31.7
82.07394	1.2
83.04968	16.9
83.08591	7.1
85.06548	1.9
91.05476	28.7
93.07042	41.9
95.01342	3.2
95.04965	7.1
95.08601	15.5
95.39487	1.2
97.06514	7.9
97.10169	8.8
98.22620	1.6
101.38742	1.2
105.04519	1.4
105.07027	25.8
107.04948	19.0
107.08587	33.5
109.06532	3.0
109.10149	13.9
111.08076	3.0
117.07020	8.5
119.08570	17.9
121.06487	2.4
121.10158	13.3
123.08106	6.1
123.11673	2.5
125.09623	10.6
131.08592	11.9
133.10129	17.0
135.08081	4.4
135.11699	4.2
137.09598	2.2
145.10136	7.9
147.11690	8.1
149.09596	29.7
149.13234	1.5
157.10123	1.5
159.11668	7.6
161.13255	3.5
163.11192	3.2
163.14799	2.4
169.12265	2.6
171.11649	1.7
173.11751	2.8
173.13222	2.4
177.12743	1.8
179.14293	8.3
187.11211	1.3
189.11215	3.3
189.12750	1.7
191.14323	1.5
209.15405	3.9
229.19608	2.7
233.15411	2.0
239.17982	1.5
247.20526	2.9
257.18979	6.2
264.88129	1.3
275.20035	28.6
276.20331	2.5
279.81766	1.6
328.11197	1.4
349.19815	100.0
349.23770	27.1
349.27252	4.6
350.20078	6.7
350.23853	1.5
353.17447	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.2
53.03944	13.8
55.01873	14.9
55.05257	1.8
55.05509	24.9
57.03176	1.9
57.03437	21.2
57.07065	2.5
65.03944	2.5
67.05502	75.3
68.05817	1.6
69.03419	3.0
69.07067	73.5
69.90119	2.3
70.43960	1.0
71.04993	4.1
77.03935	2.4
79.05489	59.2
80.05837	2.2
81.03416	33.7
81.07053	100.0
82.07381	1.9
83.04979	14.6
83.08616	13.3
85.06535	3.9
91.05476	72.9
92.05835	1.5
93.07040	63.5
94.07375	1.5
95.01330	22.5
95.04967	27.6
95.08604	58.5
96.08933	2.3
97.06527	23.9
97.10162	5.1
98.23365	1.5
98.97617	1.0
99.08093	1.3
103.05469	3.3
105.04522	3.9
105.07021	90.4
106.07359	2.4
107.04953	41.9
107.08585	30.9
109.06512	15.8
109.10150	12.5
111.08073	4.9
113.09632	2.0
115.05447	2.4
117.07006	25.3
119.04941	2.2
119.08575	52.9
121.06500	6.6
121.10155	12.1
123.04425	4.3
123.08060	17.9
123.11707	3.6
125.09634	4.0
129.07021	5.4
130.07755	1.6
131.04906	1.4
131.08557	39.0
133.06494	2.4
133.10126	54.7
134.10490	3.0
135.08047	8.2
135.11685	16.4
137.09628	5.8
141.06982	4.8
143.08595	5.5
145.06470	8.5
145.10107	24.3
145.11208	1.7
147.08102	1.6
147.11673	22.6
149.09593	9.4
149.13251	9.7
149.89529	1.1
151.11205	4.1
155.08604	1.7
157.10104	5.6
159.08043	2.6
159.11693	23.8
161.09673	2.3
161.13254	8.7
163.11150	7.0
163.14780	2.5
165.09123	3.8
165.12779	2.7
169.10124	6.0
171.11769	4.4
173.09619	1.0
173.13234	5.2
175.11197	1.3
175.14856	1.6
177.12741	10.3
178.13095	1.0
179.14299	43.6
180.14583	1.4
183.11703	3.0
185.13252	1.4
187.11169	8.1
187.14853	1.5
189.12672	1.3
193.12296	1.7
195.13820	3.1
197.13286	3.5
201.12759	1.4
205.12276	2.4
215.17946	1.2
219.13834	1.5
219.17506	1.7
223.13429	2.0
229.19618	4.2
239.17960	4.1
241.14380	3.1
247.20634	4.2
257.19040	11.0
275.20050	79.4
276.20538	4.9
289.27209	1.0
293.21045	2.7
294.82327	1.1
321.54141	1.0
331.22836	1.2
331.26508	1.3
349.23672	76.1
349.27460	17.1
349.33893	2.6
350.23892	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.01873	8.3
55.05510	18.0
55.53869	0.9
56.27838	0.9
57.03437	13.1
57.07088	1.1
57.12634	0.9
61.21122	1.0
65.03943	1.8
65.58707	1.2
67.05503	39.8
69.07064	26.9
71.04981	2.5
71.08622	1.3
75.74219	0.8
79.05492	44.1
81.03419	4.9
81.07056	51.3
82.07396	1.3
83.04976	5.3
83.08614	8.8
85.06537	2.1
88.19045	1.0
91.05479	42.0
93.07043	34.8
95.01314	1.9
95.04969	11.3
95.08605	25.7
97.06533	9.8
97.10180	5.0
99.08102	1.3
103.05464	1.4
105.04552	1.6
105.07027	46.7
105.07742	2.3
106.07315	1.6
107.04958	10.1
107.08590	31.8
109.06516	7.3
109.10152	11.5
111.08057	3.0
113.09591	1.1
115.05452	1.0
117.07014	13.2
119.08576	30.9
121.06484	3.5
121.10146	13.2
123.04490	1.0
123.08069	6.7
123.11678	2.9
125.09611	3.3
127.07476	0.9
128.06303	1.3
129.06982	4.4
131.08553	24.3
131.13617	1.0
133.06476	1.7
133.10129	28.6
135.08054	3.9
135.11714	8.8
137.09616	2.9
139.07500	0.9
141.06979	2.5
143.08531	3.8
145.06502	1.7
145.10118	34.4
146.10606	1.4
147.08023	1.1
147.11682	19.4
149.09642	9.3
149.13245	3.9
151.11186	3.5
155.08545	2.2
157.10109	6.0
159.08063	1.4
159.11693	16.5
161.09648	1.9
161.13249	4.5
163.11220	6.5
164.75627	1.2
165.09059	1.4
165.12794	1.7
169.10115	3.6
171.11642	7.0
173.09692	1.4
173.11774	1.7
173.13213	9.3
175.11139	1.7
175.14822	1.3
177.12729	4.0
179.14291	5.0
183.11684	4.5
185.13208	2.3
187.11157	3.1
187.14874	1.3
189.11194	1.8
189.12767	1.8
191.14281	1.4
197.13210	2.7
201.12753	2.1
215.14345	1.7
215.17947	1.1
219.17511	1.1
225.11053	1.1
229.19489	5.4
239.17973	9.3
247.20561	4.0
251.12610	2.4
257.19006	20.5
259.13153	1.2
275.20071	52.9
276.20435	3.9
293.20990	3.3
331.15448	1.2
331.22736	3.1
332.59885	1.1
349.19751	100.0
349.23734	70.0
349.27106	2.6
349.59964	1.0
350.20047	7.6
350.24045	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	349.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.9
55.01871	15.4
55.05515	23.3
57.03439	29.4
62.79979	4.5
63.83264	4.1
64.22934	3.8
67.05152	6.7
67.05505	49.0
69.07075	31.2
69.54452	16.9
73.02938	3.9
77.33750	4.9
79.05495	54.9
81.07061	58.7
82.07411	3.8
83.08620	10.0
91.05474	57.9
91.44633	4.3
93.07047	51.7
95.01342	4.1
95.04967	10.0
95.08605	38.6
97.06527	12.4
105.07034	59.4
107.04957	16.4
107.08596	42.7
109.06523	10.7
109.10159	14.0
115.05420	4.5
117.07018	18.9
119.08581	34.1
121.06537	5.1
121.10147	15.4
123.08047	9.9
125.09667	8.2
129.06999	5.0
131.08566	27.0
133.10132	32.6
135.08081	7.2
135.11742	9.3
143.08575	9.5
144.36899	4.7
145.10123	39.7
147.11713	18.9
149.09644	17.3
157.10176	5.6
159.11707	31.3
161.13284	9.4
163.11168	9.5
164.59215	4.4
169.10295	6.4
171.11693	7.4
173.13351	6.5
179.14322	13.1
185.13260	8.5
197.13216	6.5
208.31235	4.2
219.17538	8.2
229.19440	4.2
239.17908	10.4
257.19016	29.1
275.20071	64.1
276.20432	5.1
295.81958	4.0
349.19727	92.5
349.23764	100.0
349.27310	7.4
350.19986	8.8
350.23895	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	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05521	1.9
57.06824	0.3
57.07077	4.6
57.36310	0.3
67.05496	2.7
69.07066	2.5
71.04980	0.5
71.08622	2.4
71.21644	0.3
79.05480	1.9
81.07052	5.2
83.04929	0.3
83.08597	0.9
85.06541	2.8
91.05479	1.1
93.07041	2.0
95.04948	0.4
95.08025	0.4
95.08600	4.6
97.06513	0.3
97.14474	0.2
99.08091	1.7
105.06986	1.4
107.08610	1.9
107.83115	0.3
109.06516	18.5
109.10163	1.5
111.08054	0.7
119.08546	1.6
121.10125	1.2
122.07275	1.8
123.08067	24.4
123.11684	0.4
131.08528	0.4
133.10112	0.9
135.08031	2.9
135.11688	0.4
137.09604	0.8
145.10121	0.5
147.11690	0.5
149.13277	0.7
159.11719	0.7
165.12767	0.8
167.14378	0.5
179.14302	100.0
180.14638	4.2
193.15854	2.2
233.18970	0.3
289.25290	0.3
331.26276	2.4
349.27359	90.7
350.27686	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	349.2736
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03939	0.6
55.01872	0.7
55.05508	5.3
57.03455	0.5
57.07063	2.1
67.05508	5.3
69.07071	9.0
71.05000	1.4
71.08630	0.9
71.21619	0.7
79.05484	2.9
81.07054	8.2
83.04978	1.0
83.08637	3.1
83.52233	0.5
85.06535	1.3
88.23347	0.6
91.05475	2.3
93.07042	4.6
95.04972	0.9
95.08611	7.5
97.06525	1.6
97.10152	1.2
99.08103	0.9
105.07040	2.6
107.08591	5.0
109.06512	11.4
109.10173	3.1
111.08076	2.5
119.08601	3.3
121.10137	3.8
122.07296	0.8
123.08067	71.1
123.11752	1.3
124.08397	1.5
131.08600	0.8
133.10150	1.9
135.08057	5.4
135.11723	1.5
137.09627	3.8
145.10161	1.3
147.11685	2.0
149.09634	1.6
149.13269	1.7
151.11198	0.8
159.11694	0.7
161.13274	0.8
161.51892	0.6
163.11258	1.0
165.12715	0.7
167.14395	0.7
173.13191	1.2
175.14850	0.5
179.14308	20.1
180.14627	0.6
193.15875	0.8
233.18973	0.8
275.20117	1.6
289.25208	1.1
293.21088	17.0
294.21350	1.0
307.22522	0.6
331.26224	3.0
349.27362	100.0
350.27646	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	349.2736
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05497	1.5
56.47658	0.4
57.07074	3.3
57.61206	0.4
58.40244	0.4
67.05517	2.4
69.07064	2.6
71.04972	0.6
71.08634	2.5
72.98449	0.3
79.05479	1.5
81.07065	4.3
83.08611	0.9
85.06528	1.8
85.79456	0.4
86.15257	0.4
91.05472	0.6
93.07030	1.8
95.08611	4.5
98.23452	0.8
98.32037	0.4
99.08096	1.9
105.07016	1.7
107.08561	1.7
109.06521	13.7
109.10146	1.7
111.08077	0.5
118.83342	0.4
119.08588	2.0
121.10123	1.2
122.07283	1.3
123.08067	19.6
123.11708	0.6
131.08572	0.5
133.10133	1.4
135.08049	2.7
136.08803	0.5
137.09579	0.6
137.13199	0.6
145.10118	0.5
147.11702	1.1
159.11797	0.5
161.13158	0.4
165.12730	0.5
167.14375	0.5
177.16443	0.6
179.14307	100.0
180.14639	3.6
187.14857	0.5
193.15906	2.2
193.17313	0.4
293.21033	0.7
331.26428	2.2
349.27374	82.4
350.27682	4.3
366.88696	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03936	0.4
55.05507	3.9
57.07073	4.7
67.05506	4.5
69.07061	6.6
70.83203	0.4
71.04988	0.8
71.08627	2.4
77.03947	0.3
79.05490	2.6
81.07054	8.0
83.04965	0.8
83.08614	1.8
85.06546	2.9
91.05482	2.0
93.07042	4.2
95.04971	0.6
95.08598	7.1
97.06521	1.1
97.10155	0.7
99.08100	1.5
104.78719	0.4
105.07050	2.6
107.08572	3.7
109.06512	20.4
109.10172	2.4
110.06799	0.4
111.08088	0.9
111.31548	0.3
116.87807	0.3
119.08565	2.7
121.06395	0.4
121.10130	2.6
122.07262	1.7
123.08062	48.6
123.11676	1.2
124.08401	1.2
125.09633	0.8
131.08551	0.7
133.10117	2.4
135.08049	5.2
135.11737	0.9
136.08798	0.4
137.09615	2.9
137.13309	0.7
145.10158	0.6
147.11670	1.7
149.09639	1.0
149.13237	0.9
157.50079	0.4
159.11681	0.8
161.13252	0.8
163.11234	0.4
163.14784	0.4
165.12773	1.1
167.14337	0.7
173.13271	0.7
179.14297	84.4
180.14592	2.6
191.14330	0.5
192.14824	0.4
193.15897	2.1
233.18944	0.8
254.03249	0.3
263.19934	0.4
275.20163	0.8
289.25278	0.7
293.21088	6.1
303.26599	0.4
331.26236	2.8
349.27344	100.0
350.27634	5.3
367.85358	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2736
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01853	0.7
55.05513	6.1
57.03416	0.4
57.07064	1.4
65.61802	0.4
67.05499	5.7
69.06705	0.7
69.07067	9.0
70.62760	0.6
71.04981	1.1
71.08630	0.5
73.06576	0.5
79.05498	3.4
81.07056	8.1
82.07398	0.4
83.04973	0.6
83.08615	4.0
85.06532	0.7
91.05470	2.0
93.07027	4.6
95.04983	0.8
95.08604	7.0
97.06522	1.5
97.10162	1.0
99.08029	0.5
101.06065	0.4
105.07040	2.0
107.08582	4.3
109.06516	12.5
109.10156	3.1
111.08073	2.2
117.06990	0.3
119.08565	3.2
121.06475	0.5
121.10130	3.4
122.07259	0.6
123.08065	65.2
123.11710	1.0
123.84380	0.3
124.08416	1.7
125.09605	0.7
131.08548	0.7
133.10121	2.5
135.08040	5.2
135.11684	1.5
136.08606	0.3
137.09605	3.9
145.10149	0.8
147.11685	1.6
149.09625	1.3
149.13260	1.5
151.11211	0.7
159.11697	1.1
161.13254	0.9
165.12762	0.7
167.14313	0.6
173.13297	0.5
177.12810	0.4
179.14293	9.3
196.88905	0.4
233.19016	0.6
275.19998	0.8
289.25275	0.6
293.21075	15.6
294.21530	0.9
307.22537	0.7
317.56000	0.4
330.90845	0.4
331.26147	3.0
349.27359	100.0
350.27673	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	350.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35893	0.9
55.01881	1.2
55.05512	1.3
59.56930	0.9
61.02924	2.1
65.03955	5.6
67.05511	1.8
68.99810	1.1
69.03419	3.0
69.53974	0.9
69.91788	2.2
70.06593	1.6
77.65548	0.9
78.08035	1.0
79.05489	2.0
81.03410	2.1
81.07048	1.3
83.04997	3.2
84.08150	2.2
85.02905	12.8
87.04489	1.0
91.05494	1.2
93.03410	4.1
93.07051	3.1
95.04992	3.4
95.06063	1.4
95.08588	1.5
97.02909	4.0
98.23357	1.1
98.97585	2.1
105.07030	2.8
107.08585	3.2
109.02892	1.3
110.07169	6.7
111.04446	29.5
111.08127	1.4
121.04007	3.5
121.06527	2.0
123.04441	2.1
127.03925	3.0
139.03903	80.4
145.04965	3.0
146.88269	1.0
147.04399	1.2
149.06017	5.7
151.07599	1.9
153.05486	2.1
153.06607	2.5
153.09114	3.9
156.04216	2.8
156.07710	1.9
167.07051	2.0
171.06529	100.0
171.10138	5.8
172.06906	2.3
177.05510	1.6
180.08693	1.2
182.05696	1.1
194.93620	1.1
246.69086	1.1
297.25781	0.9
332.12448	1.6
350.13205	8.4
368.74564	1.1
372.01648	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	14.2
55.05503	44.2
56.96566	72.2
57.03429	28.2
57.07064	12.4
67.05508	64.6
68.05811	11.4
69.07066	33.9
70.10951	24.2
71.08624	20.1
72.55492	7.4
79.05485	50.4
81.07059	81.2
82.07381	11.0
83.04979	10.1
83.08617	9.3
91.05475	26.4
93.07054	64.5
94.07426	11.9
95.04971	21.6
95.08598	47.9
97.06520	11.8
98.22669	8.5
99.08105	20.4
99.67249	7.7
105.06976	48.1
106.07343	13.3
106.52811	9.0
107.08578	42.2
108.08852	9.1
108.82645	7.2
109.06512	22.1
109.10188	17.7
111.08150	8.3
119.08584	20.6
121.10140	15.3
123.08028	13.4
128.98570	8.3
131.08519	11.3
133.10251	36.3
135.11694	15.4
137.05960	41.1
146.99547	7.6
147.11664	21.6
149.05919	13.2
151.11168	18.0
157.10092	9.9
159.11699	8.7
161.13239	15.5
163.11157	16.0
171.11880	22.0
175.14830	9.6
179.14307	29.7
199.06346	11.7
203.05858	10.5
205.73790	8.3
213.07823	9.5
214.08572	9.2
228.23358	8.9
230.07831	12.4
232.09325	13.0
255.04941	8.5
259.20682	19.4
268.09302	14.2
269.10696	11.2
270.10794	23.9
275.20099	11.9
276.20407	61.5
277.17944	18.1
277.21628	28.2
302.14383	9.7
304.14932	24.1
318.16837	11.5
332.16006	21.2
350.16986	100.0
350.23959	38.5
350.27527	14.8
351.18201	17.7
351.21365	94.2
351.25345	57.5
368.18134	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	350.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07763	7.0
63.10261	7.1
67.05504	9.7
69.37213	31.6
70.06603	8.7
79.05473	20.8
81.07053	24.3
81.79700	6.1
83.04958	6.5
85.02906	11.5
91.05477	14.1
93.07050	53.4
95.08604	15.0
98.23518	7.1
107.08595	24.9
111.04487	10.4
111.08062	14.4
120.08121	12.9
129.05476	42.9
135.08073	10.7
141.90248	8.6
142.85849	7.1
151.99716	7.0
153.09113	48.8
164.07077	20.2
171.10144	100.0
198.04771	7.0
351.12006	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	350.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.1
57.03429	0.8
57.21373	0.7
66.21224	0.6
67.05503	6.6
69.03440	1.7
69.07074	0.7
71.43555	0.8
79.05489	2.5
81.03425	0.6
81.07052	4.3
83.04994	0.7
83.08623	0.9
84.07090	0.6
84.08147	0.6
85.02907	5.7
91.05479	2.0
93.07032	2.8
95.08606	1.8
97.02891	1.1
107.06951	0.6
107.08594	20.9
108.08914	0.7
109.06520	3.0
109.10162	7.2
111.04406	0.5
111.08089	2.8
112.08414	0.7
123.08070	0.8
125.05999	1.6
125.09644	7.3
135.08063	3.6
145.05002	0.8
151.07574	1.2
153.09111	19.2
171.10165	100.0
172.10544	3.5
232.63643	0.7
247.92244	0.6
350.15851	1.0
351.15771	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.7
57.03419	4.7
67.05495	7.3
69.03432	5.2
69.07053	7.6
71.04953	4.6
72.12872	4.1
79.05490	12.6
81.07048	18.5
83.04987	4.4
83.08626	4.4
85.02892	19.7
86.09707	15.7
91.05458	10.6
93.07047	78.3
95.08616	45.3
105.00726	3.9
105.06969	4.7
107.08595	100.0
109.10138	11.3
118.14346	4.4
120.08094	10.3
121.23559	5.0
123.39237	4.2
127.03935	6.6
131.77377	4.1
135.10748	7.8
135.11694	89.8
140.56416	3.7
153.12743	62.9
157.13397	5.8
164.37886	3.7
171.13849	5.1
189.14761	7.3
331.43024	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	350.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.9
55.05502	4.9
57.03414	1.8
67.05505	6.0
69.03417	3.2
69.07053	10.5
72.00771	1.9
79.05074	2.8
79.05488	13.7
81.03413	2.8
81.07042	8.5
83.04967	4.0
85.02901	16.6
85.06513	2.7
91.05478	17.0
93.07044	91.3
94.07377	2.9
95.04967	2.6
95.08613	19.7
97.02899	4.0
97.06526	31.0
105.04513	2.2
105.07024	7.3
107.08592	100.0
109.02941	2.4
109.06528	3.7
109.10152	6.6
113.75940	1.8
119.06090	2.0
119.08563	1.9
120.08134	2.0
121.10157	2.7
127.03912	3.0
135.11693	90.4
137.13239	2.3
145.04950	3.5
153.12761	25.7
171.13773	5.2
188.60466	2.0
189.14877	7.4
225.84917	2.1
237.51332	2.2
337.46912	2.0
351.18585	1.9
351.22498	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	351.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00310	1.6
60.63489	1.5
69.87155	3.7
69.87502	2.6
77.57110	1.6
93.62198	1.6
97.60673	1.7
146.29453	1.8
164.08940	1.4
351.06909	82.2
351.12552	100.0
352.07172	2.3
352.12738	2.5
360.71268	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71788	0.5
56.96560	11.7
67.19431	0.6
69.03425	0.9
81.07046	0.8
84.96030	3.9
85.02908	1.6
98.41006	0.5
98.97579	100.0
99.97885	0.9
110.97575	9.4
112.99125	2.2
116.97788	1.4
116.98617	27.7
124.99146	1.6
127.00723	1.1
128.98605	7.6
129.02260	1.2
131.00171	0.7
134.99684	2.7
135.08217	0.6
140.98595	2.3
141.69640	0.5
143.00174	2.4
144.98105	2.2
145.01698	2.0
146.99654	2.0
147.03281	5.2
152.98599	2.4
155.06966	1.2
158.99651	34.3
159.99939	0.8
161.01228	0.8
162.99147	0.8
163.02715	1.3
165.04320	2.8
170.99660	3.3
171.03264	3.8
173.08054	1.0
175.02803	1.3
177.00710	20.0
189.00670	2.0
189.04309	7.9
190.04924	0.6
190.14413	1.4
195.01785	0.8
198.90416	0.5
201.00705	2.4
201.04295	0.8
207.05376	2.1
213.04253	0.7
218.99684	1.0
219.01770	17.5
219.05052	0.7
231.05412	3.2
237.02791	18.9
249.06842	0.7
291.07452	28.3
292.07840	1.6
309.08548	72.8
310.08710	2.9
332.10132	1.5
351.09583	42.8
352.09799	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1228
Annotation	XR 774
Peak:m/z	Relative Intensity
53.36744	0.4
55.01863	0.7
67.05490	0.5
69.07068	0.6
69.47364	1.5
79.05479	1.1
81.07053	1.7
91.04212	0.5
91.05461	1.4
93.07059	1.0
94.06580	0.5
95.04971	0.8
95.08614	0.4
97.06532	0.6
98.65416	0.4
103.05508	0.5
105.07024	1.5
107.04965	0.7
107.08625	0.7
108.40977	0.4
109.06509	0.7
118.98915	0.5
119.08630	0.7
121.10161	0.5
127.03981	0.6
131.04944	1.1
133.06503	0.7
133.10144	0.5
137.05962	0.5
145.10120	0.5
151.03835	0.7
155.14261	0.5
161.05933	0.6
164.84178	0.5
165.05478	1.3
167.38048	0.5
177.05385	0.6
184.05165	0.6
189.05507	1.0
189.07086	1.3
190.07762	1.7
191.08543	1.4
199.07559	1.3
202.07736	6.5
203.08530	3.5
204.09135	0.6
205.06500	2.4
206.07126	0.5
207.07964	0.5
215.08624	2.7
217.06468	1.0
218.07243	2.5
219.08035	6.6
220.08806	3.1
221.09431	0.5
229.06396	0.8
230.05211	0.7
230.07262	6.6
231.08035	11.8
232.08659	2.8
233.05956	2.7
233.09680	2.3
234.06664	0.9
235.11185	0.7
237.09238	0.8
242.03854	0.4
242.07094	1.2
243.07988	1.3
244.08630	0.8
245.06056	2.1
245.09659	1.6
246.06740	4.0
247.07516	9.6
248.08287	9.8
249.09013	1.9
250.10712	1.0
257.05872	0.7
258.06778	4.7
259.07520	8.6
260.08286	5.8
261.05566	3.8
261.09103	2.9
262.06201	1.2
262.09933	1.1
263.07620	0.4
263.10583	3.3
265.08563	1.8
272.08142	1.0
273.06003	0.6
273.09085	19.2
274.06235	3.2
274.09604	2.4
275.07080	6.7
275.22873	0.5
276.07782	17.9
277.08536	5.8
286.06216	0.8
287.06949	1.7
288.07727	1.4
289.04947	3.0
289.08569	9.2
290.06027	0.9
290.09302	12.3
291.10098	14.7
292.10468	1.5
293.08008	2.7
301.08572	8.3
302.08881	0.9
302.13876	1.2
303.06436	0.9
304.07297	15.1
305.07999	9.5
306.08505	1.1
318.08893	1.9
319.09634	100.0
320.10272	20.2
320.14511	1.2
321.10858	0.8
323.12738	0.9
334.16306	0.9
336.09897	1.9
348.02698	0.6
351.12241	50.5
352.12561	3.7
352.17551	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
55.05503	4.2
57.03439	2.3
57.07063	0.7
62.98240	0.6
65.03920	0.6
67.05157	0.6
67.05505	10.9
69.07061	4.2
70.06857	0.6
70.07218	1.0
71.04982	1.2
71.08630	1.9
75.04468	0.8
79.05045	0.8
79.05497	14.9
80.05799	0.6
81.07054	12.2
82.56931	0.4
83.04958	1.2
83.08620	1.9
85.06554	0.9
91.05481	10.4
93.07043	21.8
95.04948	1.7
95.08604	9.1
97.06529	1.1
97.10159	0.9
99.08080	1.8
101.09666	0.9
105.04508	0.8
105.07021	10.9
107.08595	11.5
109.06522	1.5
109.10165	4.3
113.09615	0.4
116.99267	1.7
117.07045	2.5
119.08584	11.2
121.10142	10.0
121.69530	0.4
123.08116	0.4
123.11652	1.0
129.06993	1.3
131.08562	4.5
133.10124	9.8
135.11696	9.6
137.05966	1.4
137.13303	0.4
143.08554	1.7
145.10149	4.5
147.11671	8.6
149.09637	0.6
149.13254	6.2
151.11185	1.0
157.10135	1.9
159.11696	4.9
161.13263	6.6
163.11227	1.2
163.14822	1.6
165.12758	0.7
171.11696	2.8
173.13216	2.0
175.14804	2.8
177.12787	0.8
179.14293	2.4
185.13304	2.3
187.14769	0.5
191.10463	1.4
199.14763	0.9
203.14336	0.6
209.21048	0.5
213.16405	1.6
221.15372	0.5
231.17432	0.9
231.21078	1.5
240.10976	0.8
241.19508	5.2
259.20572	18.4
260.21057	0.8
277.18671	0.8
277.21585	3.7
289.21732	0.6
323.16110	1.0
333.14410	1.6
333.24158	2.4
351.15414	100.0
351.25119	17.8
352.15787	6.9
352.25269	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	12.5
57.03434	3.0
65.97810	1.8
67.05506	19.5
69.03425	7.9
69.07040	2.0
71.04996	6.2
71.09924	2.0
75.19666	2.1
79.05495	26.4
81.07056	27.9
83.04976	27.4
84.04501	2.0
84.08154	9.2
85.02891	12.1
85.06540	4.9
86.70473	1.7
91.05486	16.3
91.97149	1.7
93.07041	55.9
94.07362	2.1
95.04974	3.7
95.08611	28.5
97.02920	3.6
97.06498	3.2
97.10231	1.9
99.08076	4.0
105.07042	4.6
107.04936	2.8
107.08598	42.0
109.06488	10.4
109.10188	3.6
111.04445	14.8
111.08071	29.0
117.07069	2.4
120.08081	5.9
123.08047	7.1
123.11693	8.1
125.09627	6.3
127.07573	5.7
129.05473	100.0
130.04988	13.2
130.05814	2.7
135.08017	9.6
135.11696	8.4
137.09584	3.1
141.09100	13.8
146.06009	3.4
153.09103	44.3
153.12749	5.1
155.10637	10.3
155.27960	1.9
171.06775	2.2
171.10162	73.6
172.10445	3.0
173.11710	3.1
178.08717	6.3
189.11246	15.1
257.03250	2.0
333.10556	4.0
347.91470	1.8
351.11124	6.2
351.15521	4.5
351.19217	7.9
352.10291	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	351.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	12.5
57.03434	3.0
65.97810	1.8
67.05506	19.5
69.03425	7.9
69.07040	2.0
71.04996	6.2
71.09924	2.0
75.19666	2.1
79.05495	26.4
81.07056	27.9
83.04976	27.4
84.04501	2.0
84.08154	9.2
85.02891	12.1
85.06540	4.9
86.70473	1.7
91.05486	16.3
91.97149	1.7
93.07041	55.9
94.07362	2.1
95.04974	3.7
95.08611	28.5
97.02920	3.6
97.06498	3.2
97.10231	1.9
99.08076	4.0
105.07042	4.6
107.04936	2.8
107.08598	42.0
109.06488	10.4
109.10188	3.6
111.04445	14.8
111.08071	29.0
117.07069	2.4
120.08081	5.9
123.08047	7.1
123.11693	8.1
125.09627	6.3
127.07573	5.7
129.05473	100.0
130.04988	13.2
130.05814	2.7
135.08017	9.6
135.11696	8.4
137.09584	3.1
141.09100	13.8
146.06009	3.4
153.09103	44.3
153.12749	5.1
155.10637	10.3
155.27960	1.9
171.06775	2.2
171.10162	73.6
172.10445	3.0
173.11710	3.1
178.08717	6.3
189.11246	15.1
257.03250	2.0
333.10556	4.0
347.91470	1.8
351.11124	6.2
351.15521	4.5
351.19217	7.9
352.10291	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	351.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03975	2.2
54.57646	2.3
55.05506	11.3
57.03446	2.7
57.19430	2.0
61.02927	2.5
67.05502	20.3
67.50344	2.2
69.03425	4.8
69.07065	3.2
69.82105	5.3
71.04971	3.8
79.05486	26.8
81.07058	30.9
83.04977	25.3
84.04500	3.0
84.08144	13.0
85.02896	18.7
85.06544	5.3
91.05486	14.5
93.07046	58.1
93.07615	4.6
95.04961	7.9
95.08602	30.9
97.02876	2.0
97.06568	2.8
99.08121	2.8
102.05542	3.9
105.07018	4.8
107.08585	38.4
109.06508	9.8
109.10155	7.0
111.04433	12.7
111.08090	27.6
113.05962	3.0
120.08121	9.4
123.08089	7.3
123.11718	6.1
125.09637	2.9
127.07568	7.2
129.05473	100.0
130.05006	20.1
130.05821	3.1
135.08041	7.6
135.11679	7.1
137.09537	2.8
141.09129	8.0
146.06027	4.0
150.09113	4.5
153.09090	44.8
153.12756	2.6
154.09479	3.6
155.10657	8.7
171.06841	3.0
171.10159	73.0
172.10587	3.8
178.08664	6.4
189.11223	13.5
222.07507	4.3
238.11676	2.3
301.77362	2.3
333.10913	3.5
351.11490	8.1
351.15485	9.0
351.19293	10.8
352.10333	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.6
55.05507	9.1
56.96569	2.0
57.03436	3.9
57.07084	1.5
64.93549	1.3
65.73478	1.5
66.93066	1.5
67.05502	19.6
69.07059	10.6
69.42239	5.3
69.42657	2.5
71.04987	1.8
71.08621	4.0
72.53387	1.6
78.36046	1.3
79.05490	26.5
79.83296	1.6
81.07055	22.7
83.04956	1.7
83.08614	4.6
85.06548	2.0
91.05481	22.5
91.05999	2.6
93.07043	34.8
95.08607	16.4
97.06538	2.1
97.10175	2.8
99.08105	3.5
101.09674	2.5
105.07028	20.5
107.08578	19.2
109.06505	1.8
109.10168	9.4
116.99282	2.3
117.07043	4.7
119.08586	18.0
121.06492	2.0
121.10139	19.5
123.11714	3.2
125.74311	1.4
129.06981	2.0
131.08578	5.9
133.10130	20.8
133.51343	1.4
135.10730	2.3
135.11693	19.2
137.09639	1.4
143.08618	2.4
145.10143	8.8
147.11688	18.2
149.13246	11.2
151.11188	2.5
157.10135	3.5
159.11710	5.4
161.13237	11.9
163.11198	2.5
163.14854	3.1
163.31038	1.3
165.12689	1.7
171.11732	3.9
173.13234	3.6
175.14839	4.7
177.12747	2.6
179.14357	4.5
185.13322	3.5
186.81761	1.9
187.14818	1.9
195.01477	1.5
199.14835	2.7
213.16364	2.1
231.21106	2.1
241.19514	9.4
259.20602	36.3
277.21689	7.8
333.14188	2.7
333.24237	3.7
351.15436	100.0
351.19391	11.7
351.25168	39.0
352.15808	6.7
352.25745	1.8
365.39523	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	23.5
56.96560	36.8
64.75330	8.3
67.05500	57.8
69.07076	20.7
70.76348	12.2
71.08629	14.5
76.02611	7.7
79.05502	82.0
81.07061	61.5
84.29703	7.6
91.05473	52.4
93.07038	100.0
95.04964	10.4
95.08620	37.1
97.10209	10.0
98.16522	8.4
99.08105	10.6
105.07033	75.9
107.08605	66.7
109.06526	11.4
109.10181	19.0
110.97475	10.3
111.08058	9.0
119.08601	60.3
121.10155	53.3
129.06982	13.1
131.08600	34.2
133.10123	55.3
135.11716	46.8
145.10144	25.4
146.19382	8.5
147.11678	55.3
149.09450	8.0
149.13283	21.5
159.11705	21.0
161.13248	41.2
171.11684	16.1
171.31606	9.5
175.14856	20.1
180.11288	10.1
199.06451	15.1
199.14842	10.7
207.09933	18.6
217.07480	11.0
229.07663	12.1
231.09055	10.6
235.56694	9.5
241.19531	30.6
245.38344	8.9
255.09048	28.6
259.20581	94.5
269.10709	11.4
270.18741	9.2
273.10107	15.3
278.34006	9.0
289.21472	9.9
300.23230	10.7
333.17291	41.6
351.15176	18.4
351.18848	92.4
351.25098	78.4
369.19327	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	351.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	6.0
55.05507	28.0
56.96572	67.6
57.03436	25.3
57.07077	10.7
59.45303	5.6
67.05505	77.0
69.07062	33.2
70.41592	12.7
71.08633	54.4
79.05501	58.3
81.03432	10.0
81.07055	89.7
83.05009	9.3
83.08602	15.3
91.05484	57.7
93.07049	87.5
95.04967	13.8
95.08614	56.9
97.06524	13.1
99.08096	50.4
105.07014	40.2
107.04948	6.2
107.08580	50.0
109.06519	8.9
109.10143	22.2
111.08099	7.1
117.07038	12.7
119.08592	43.3
121.10136	40.4
129.07082	6.6
131.08559	20.4
133.10124	44.8
135.11707	37.4
137.06012	11.1
138.70528	5.8
143.08543	9.2
145.10146	19.0
147.11705	25.8
149.13258	24.4
151.11147	31.4
157.10106	9.8
159.11702	12.7
161.09578	9.2
161.13313	31.0
163.11215	13.1
163.14824	9.4
165.12805	9.7
167.03885	7.2
170.22556	6.5
171.11810	10.2
173.13184	8.8
175.14923	8.5
179.14308	38.0
185.04718	5.9
199.06306	8.7
208.22449	6.1
213.08037	6.9
217.07408	11.0
241.19554	19.2
251.09688	8.4
255.09024	29.3
259.20566	50.2
267.09048	14.3
269.10580	21.1
273.10172	9.7
277.21603	57.5
285.10080	9.4
289.21588	6.7
333.17215	42.7
351.18246	100.0
351.25177	90.9
369.19406	45.3
374.19907	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	351.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26328	1.8
55.05525	2.9
57.03470	2.0
58.26861	1.7
67.05500	7.9
68.05032	2.5
69.03424	2.7
69.07070	5.7
70.06594	19.5
71.05008	1.8
71.72675	1.5
79.05505	5.6
79.93340	1.7
81.03417	2.1
81.07059	19.2
83.04987	2.6
84.08150	1.8
85.02905	11.5
91.05478	3.6
93.07042	35.1
94.07383	3.8
95.08604	100.0
96.08952	2.6
97.06532	3.5
98.06092	5.4
100.07629	3.6
105.07042	2.9
107.08591	30.8
109.02805	1.6
109.06547	4.5
109.10181	5.5
111.08089	6.6
112.07604	10.8
113.06067	1.8
113.08086	1.8
114.05550	1.9
119.08588	3.2
123.11707	34.0
123.12542	3.1
128.07127	2.4
129.05444	2.4
135.11703	21.9
137.05928	1.7
137.09605	3.6
141.12767	4.6
145.05000	1.8
153.09142	3.8
153.12743	53.0
155.07008	3.3
155.10675	5.9
156.06569	2.7
171.10164	8.6
171.13821	7.2
172.10562	3.1
173.08121	2.4
173.11844	1.8
178.08672	2.5
189.14746	2.7
196.09705	6.8
254.10246	2.1
307.20059	1.9
313.97333	1.6
333.14230	1.8
343.73792	1.5
350.98810	2.0
351.12115	2.6
351.15521	63.7
352.15924	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	351.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86675	1.9
55.05499	7.8
57.03433	2.5
61.02899	2.1
67.05504	17.2
69.03420	4.5
69.07060	4.4
70.76486	3.6
79.05489	16.5
81.07058	32.4
83.04970	8.0
85.02901	18.0
85.06524	2.3
91.05477	11.6
93.07046	58.2
95.04974	4.0
95.08609	100.0
97.06527	2.9
99.08096	2.1
107.08595	60.5
109.02866	2.5
109.06500	3.6
109.10146	7.7
111.04446	5.2
111.08108	11.8
117.07018	1.9
120.08161	2.3
123.11707	56.5
124.12008	2.1
127.03931	2.5
127.07562	2.5
129.05479	32.0
130.05008	10.0
135.08076	2.7
135.11697	75.4
136.11963	1.8
141.09105	3.9
141.12685	6.4
141.18394	1.8
153.09122	15.7
153.12750	39.8
155.10637	5.2
171.06735	4.8
171.10164	27.9
178.08766	3.0
189.11281	3.5
189.14874	4.8
299.55417	1.8
308.11325	2.1
351.10440	14.4
352.10196	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	351.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58364	0.5
55.05499	1.2
57.07071	1.3
58.18162	0.5
62.41374	0.5
66.80486	0.5
67.05506	2.1
67.33303	0.4
67.36979	0.5
69.03423	0.6
69.07072	1.6
71.05841	0.6
74.33821	0.5
79.05488	1.1
81.07074	0.8
84.08137	1.3
85.02879	2.4
85.06544	100.0
86.06878	1.6
91.05483	0.6
93.07077	3.1
95.08613	1.4
97.06528	11.9
97.07121	0.9
103.07574	5.7
107.08582	3.6
109.10175	1.5
135.11723	1.4
150.78915	0.5
150.80136	0.5
153.12743	6.5
153.13878	0.7
171.13803	9.7
189.14891	2.5
212.86330	0.6
333.13669	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2015
Annotation	6,7-Dihydroxydihydrolinalool 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.05529	1.4
57.07059	2.2
63.00909	1.0
67.05514	4.1
69.07082	1.7
69.45227	4.6
69.45585	1.9
70.38474	0.9
71.04974	1.0
73.25494	0.9
79.05474	2.1
81.07063	1.5
84.08144	6.3
85.02914	4.0
85.06544	100.0
86.06877	1.9
91.05488	1.2
93.07027	5.0
95.08614	4.3
97.02936	1.1
97.06535	16.0
99.08106	1.1
103.07595	5.1
107.08606	4.1
109.10168	4.9
110.06067	1.3
111.08115	1.0
114.00270	0.9
119.08595	1.2
120.08125	5.0
127.38254	0.9
135.11678	3.5
137.09634	2.5
138.17540	0.9
153.12701	6.1
155.10657	7.0
170.08124	5.8
171.13829	7.8
173.11732	4.9
178.08714	2.4
178.34593	1.0
182.08141	6.5
189.14838	2.5
241.10561	1.0
291.17078	2.1
351.10852	1.4
351.19186	3.8
352.10281	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	351.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	24.8
57.03439	6.9
57.07061	6.9
67.05505	20.1
69.03445	4.8
69.07072	33.4
69.98881	5.5
69.99236	9.2
70.24176	4.0
71.04998	10.4
72.08940	4.1
77.53565	4.0
79.05489	22.2
81.03413	5.0
81.06575	4.8
81.07059	100.0
81.07510	8.6
83.04955	4.5
83.08622	6.9
84.08154	21.9
85.02906	16.4
85.06542	15.2
91.05486	13.1
93.07042	64.1
95.08611	15.3
97.02902	4.7
97.06532	80.4
99.08092	87.6
104.65919	4.0
105.07023	4.5
107.08595	66.5
109.10171	26.5
117.09124	7.1
119.28349	4.0
120.08124	27.3
121.06573	4.7
122.06094	4.4
123.11693	5.3
130.04951	5.5
135.11708	34.9
136.07587	6.4
137.09680	4.6
153.12753	52.4
155.10579	4.7
164.07057	5.0
170.08177	15.2
171.13844	46.2
173.11649	5.4
177.05446	4.6
178.08630	7.8
182.08165	27.9
189.14882	11.0
213.05598	4.3
291.16879	8.3
351.15372	8.4
351.18857	27.4
352.10373	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	351.2142
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
53.63828	0.4
55.05513	0.7
67.05481	1.2
69.07058	0.7
71.08643	0.4
79.05471	1.6
80.05011	0.4
81.07049	1.6
91.05470	1.1
93.07031	1.9
95.08609	0.9
99.08099	0.5
102.31256	0.4
105.07009	1.4
107.08628	0.9
119.08603	0.8
121.10085	0.6
124.68925	0.4
131.08551	0.8
133.10124	0.5
133.81866	0.5
145.10110	0.6
147.11678	0.7
222.14902	0.5
259.20547	0.8
275.20038	0.4
292.22696	1.5
333.20020	0.8
334.24280	0.5
346.08276	0.4
348.70911	0.5
351.21393	100.0
352.21564	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	351.2141
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
65.88509	0.3
69.00388	0.3
75.56987	0.3
82.41914	0.3
84.37815	0.3
104.65781	0.3
106.92397	0.3
137.34180	0.3
144.27881	0.3
158.24071	0.3
195.09927	0.3
228.37979	0.3
281.13730	0.5
333.20410	0.4
351.21402	100.0
352.21725	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	351.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.0
57.03431	1.8
67.05500	6.3
69.07064	3.5
69.22996	3.1
69.23404	5.6
71.05010	1.4
79.05091	1.4
79.05501	5.7
81.07050	6.6
87.08102	1.6
91.05511	3.1
93.07044	4.9
95.04980	2.2
95.08617	5.8
98.88010	1.2
105.07038	1.9
107.08598	3.5
109.10149	1.5
119.08591	2.4
121.10165	2.4
133.10249	1.9
135.08089	2.3
135.11708	2.3
137.05928	2.6
145.10028	1.5
147.11641	2.0
149.13290	1.7
151.11227	1.3
159.11673	1.6
165.08876	3.0
171.11844	1.5
191.10381	8.2
193.12161	1.6
206.12859	3.4
219.13606	5.9
221.11472	100.0
222.11862	4.9
245.11650	1.7
263.12558	28.7
275.19861	6.9
291.19189	2.0
316.37674	1.5
317.20795	5.6
333.20221	4.5
334.21133	12.8
351.21393	43.0
351.25055	3.8
352.21631	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57599	1.1
53.03937	2.2
53.93333	1.1
55.01860	2.2
55.05260	1.4
55.05507	17.8
56.96560	1.4
57.03434	9.8
57.07067	3.0
59.30551	1.3
64.18396	1.2
65.03943	2.8
67.05500	49.9
69.07068	20.3
69.55020	3.4
71.04987	2.9
71.08639	1.8
75.04471	1.3
77.03919	2.8
78.57320	1.4
79.05489	75.4
80.05845	3.0
81.07053	55.9
82.07378	1.5
83.04977	2.8
83.08612	8.6
85.06538	4.2
88.12000	1.2
91.05476	52.4
91.06052	2.8
92.05795	1.7
93.07037	100.0
94.07388	2.1
95.04985	7.9
95.08603	39.8
97.06533	4.0
97.10161	2.3
99.08074	6.4
101.09679	1.5
105.07024	64.0
106.07322	2.9
107.08588	60.1
109.06507	4.1
109.10155	16.5
111.08054	1.8
113.09602	1.5
115.10589	1.1
117.07011	13.5
119.08570	58.0
120.08901	1.9
121.06447	1.4
121.10137	47.1
123.08059	2.3
123.11694	6.7
125.09622	1.2
128.06203	1.7
129.06982	7.2
131.08557	21.4
133.10121	51.3
134.10526	1.9
135.08076	1.3
135.11684	48.2
136.12030	1.6
137.09657	1.7
137.13223	1.3
143.08571	8.9
145.10124	22.4
146.98006	1.2
147.11673	47.9
149.09616	4.3
149.13252	30.5
150.13536	1.6
151.11192	1.4
151.56602	1.3
153.09163	1.4
157.10156	9.1
159.11691	22.4
161.09746	1.4
161.13245	35.6
162.13615	1.5
163.11191	3.0
163.14821	9.8
163.95103	1.3
165.12697	1.9
171.11664	17.2
173.13252	11.8
175.11142	1.8
175.14789	17.5
177.12686	4.4
177.16377	1.8
179.14337	1.8
185.13254	12.5
187.14777	4.9
189.12730	2.6
195.13950	1.5
199.14799	8.9
203.14290	2.2
207.13829	1.8
213.16397	5.9
217.15979	2.0
217.19463	3.0
221.15370	1.4
231.17488	2.8
231.21028	7.7
235.16951	2.1
241.19504	32.6
242.19806	3.0
259.20566	90.8
260.20840	7.1
261.22321	1.6
263.12552	1.6
275.11945	2.0
277.21674	19.2
278.21997	2.3
285.54672	1.5
333.17429	3.5
333.24100	10.1
351.18347	4.4
351.25244	81.3
352.25674	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07360	2.2
53.03934	3.9
54.29183	2.3
55.01856	6.0
55.05260	2.7
55.05507	34.7
57.03193	2.8
57.03438	41.8
57.07057	6.3
65.03924	3.2
67.05502	70.8
69.07067	30.8
69.51654	9.0
71.04972	7.2
71.08583	2.4
75.04440	2.5
79.05059	4.1
79.05493	74.4
81.03408	2.7
81.07055	89.3
82.07358	2.8
83.04942	6.9
83.08620	16.8
85.06508	8.9
89.18292	2.4
91.05479	60.0
93.07043	100.0
94.07365	4.2
95.04936	8.2
95.08599	66.3
96.08877	3.5
97.06503	8.3
97.10137	2.9
99.08097	5.5
104.99260	2.4
105.04488	4.9
105.07022	56.4
107.08584	52.4
109.06476	9.6
109.10154	25.5
111.08063	6.1
113.88514	2.3
117.07015	15.9
119.08580	43.3
121.10133	49.3
123.08083	4.6
123.11665	10.2
125.09595	4.1
127.87720	2.6
129.06953	6.5
131.08568	19.0
133.09206	2.5
133.10126	39.7
134.10507	2.3
135.08028	5.0
135.10765	3.2
135.11685	37.4
136.12137	2.2
137.05986	2.6
137.09544	5.4
139.11179	4.4
143.08508	8.6
145.10115	23.1
147.11685	40.7
149.09560	3.8
149.12233	2.9
149.13240	25.6
151.11159	3.3
157.10126	5.4
159.11690	17.8
161.09634	2.8
161.13257	24.0
163.11127	5.3
163.14790	6.7
165.09056	3.4
165.12720	6.2
171.11656	9.8
173.13280	10.3
175.14777	9.5
177.12712	4.2
179.14447	3.0
185.13242	11.4
187.14732	8.9
189.12717	3.2
191.10402	3.1
199.14754	5.3
203.17731	3.3
205.15837	5.3
207.13686	2.3
217.19504	3.1
221.11472	8.5
231.21002	5.4
241.19495	17.7
259.20581	57.8
260.20755	3.1
263.12338	2.9
277.18863	3.0
277.21640	24.6
278.21820	3.7
319.22498	4.2
333.24118	8.7
351.21161	15.3
351.25168	99.3
352.25290	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	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.6
54.55131	2.0
55.01875	3.3
55.05518	17.5
57.03440	14.1
57.07070	2.3
67.05511	45.5
69.07075	14.3
70.02898	5.0
71.08636	54.5
79.05492	40.4
81.03424	7.3
81.07062	44.6
83.04993	11.0
83.08610	10.3
85.06549	4.4
91.05473	25.4
93.06445	3.2
93.07048	50.1
95.04973	13.4
95.08614	36.4
95.72268	2.1
97.06537	9.5
97.10160	2.6
98.23399	3.5
99.06251	2.2
99.08099	35.2
105.07048	20.9
107.04939	6.9
107.08588	27.7
109.06536	3.8
109.10153	9.7
111.08068	3.0
117.07023	4.1
119.08571	15.0
121.06494	2.1
121.10139	22.9
125.93301	2.2
131.08531	4.8
133.10136	14.5
135.11697	36.5
137.09601	2.9
141.09064	2.9
143.08508	2.2
145.10120	4.3
147.11703	5.3
149.09625	2.5
149.13222	11.0
151.11195	19.0
159.11751	5.3
161.13229	10.9
163.11171	9.5
163.14775	2.3
167.10657	2.9
171.11537	2.2
177.12843	4.8
179.14316	100.0
180.14636	5.5
221.15456	3.3
235.16914	6.3
241.19571	2.5
259.20395	3.8
277.21674	41.6
278.21884	2.7
351.21341	3.5
351.25317	46.8
352.25735	3.0
367.14215	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
51.10639	2.3
51.96299	2.5
55.01865	4.6
55.05510	17.5
56.96558	3.9
57.03434	7.7
57.07076	5.4
66.55458	2.6
67.05504	36.3
69.07070	16.8
70.66111	2.3
71.04988	4.1
71.08628	7.0
79.05489	43.6
81.07056	44.9
83.04959	2.3
83.08645	4.4
85.06540	3.6
91.05479	36.0
93.07046	64.7
93.83725	2.8
95.04974	15.5
95.08613	33.8
97.06548	7.3
97.10133	2.6
99.08119	5.6
104.99276	3.2
105.07018	41.0
107.08594	34.0
109.06528	29.5
109.10178	14.6
116.31707	2.6
117.07027	7.2
119.08562	31.9
121.06487	5.3
121.10143	23.3
123.08057	4.1
123.11694	3.6
128.06226	2.6
129.07007	3.4
131.08559	14.0
133.10124	34.7
135.08023	2.6
135.11691	27.2
137.09596	5.1
143.08554	4.9
145.10095	13.9
147.11688	32.3
149.13243	13.4
153.09210	2.3
157.10133	7.1
159.11670	14.4
161.13226	16.4
163.11192	6.8
163.14825	3.7
165.12744	37.2
171.11694	8.0
173.13234	7.7
175.14819	11.6
177.12781	3.4
179.14365	3.9
185.13223	9.8
191.14322	4.8
225.19345	2.3
231.21144	6.2
233.15291	2.8
241.19479	19.5
244.51653	2.8
259.20584	56.2
261.22003	3.0
277.21591	8.4
289.21640	27.8
295.19043	3.3
333.24146	4.6
351.21323	8.5
351.25250	100.0
352.25473	7.1
369.19150	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.0
55.01878	2.9
55.05509	16.5
57.03439	9.8
57.07079	3.0
58.04067	1.4
60.04507	2.1
61.99773	1.7
67.05505	46.3
67.05867	2.4
69.07074	17.6
70.22820	2.2
71.04992	2.6
71.08637	2.1
71.96184	1.5
75.05219	1.7
77.03908	2.2
79.05492	73.0
80.05021	2.2
80.41618	1.5
81.07055	56.9
82.07369	1.5
83.04993	3.5
83.08625	10.2
85.06561	2.7
91.05477	52.3
93.07043	87.9
95.04951	11.1
95.08605	38.1
95.31813	1.8
97.06541	5.3
97.10214	3.9
98.22705	3.3
99.08119	6.0
105.04566	3.6
105.07032	54.4
107.04980	3.6
107.08600	55.0
108.08887	2.0
109.06548	6.2
109.10152	13.5
111.04459	2.5
111.08098	2.5
113.09666	1.9
116.65068	1.6
117.07025	15.1
119.06119	1.5
119.08580	48.0
119.09411	2.7
121.02871	2.3
121.06536	3.8
121.10136	40.2
123.08102	2.7
123.11725	5.2
125.09567	1.9
129.07048	7.1
129.23889	1.6
131.08585	19.6
133.10126	44.9
135.08096	4.0
135.10684	1.8
135.11691	42.7
137.05975	13.9
142.07774	1.6
143.08604	7.5
145.06529	5.7
145.10144	22.0
147.11688	41.8
149.09561	3.6
149.13278	29.3
151.11208	4.0
157.10150	6.7
159.11719	17.8
161.13251	39.1
163.07570	2.6
163.11232	4.4
163.14767	8.0
171.11673	15.0
173.06032	3.8
173.13283	7.7
175.11195	2.9
175.14816	18.2
177.12784	2.0
180.43964	1.5
185.13278	13.7
187.14850	3.3
189.12747	3.2
189.16400	1.8
191.07088	5.4
193.60663	1.5
199.14842	8.3
201.16277	1.5
203.14305	3.2
213.16432	6.6
215.18022	1.8
217.19594	3.0
219.06410	2.1
221.15427	2.4
231.17476	2.9
231.21013	11.1
241.19493	34.7
241.21814	2.2
242.19832	3.2
259.20575	100.0
260.21002	6.8
274.21674	1.9
275.20013	2.7
277.18118	5.0
277.21661	15.5
292.22733	7.4
333.24219	9.9
351.21078	84.8
351.25400	71.7
352.21265	4.9
352.25339	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	352.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95192	0.4
53.03937	0.8
55.01860	0.9
55.05504	1.3
56.96561	1.7
57.03430	1.2
61.02921	0.9
67.05492	1.3
68.13267	0.4
69.03442	3.6
69.81313	0.9
71.04988	1.0
73.02900	0.6
79.05499	3.9
81.03424	0.8
81.07060	30.1
82.07379	1.0
83.04962	0.5
83.08626	1.1
85.02907	6.8
85.06552	7.6
89.13154	0.4
91.05476	1.1
93.07053	2.2
93.32195	0.3
95.04984	0.9
97.02908	2.2
98.23422	0.7
98.97579	5.5
99.97935	0.6
109.06526	27.7
110.06873	0.9
110.97599	0.5
111.04445	0.4
111.08070	2.1
116.98636	2.2
119.05017	0.4
120.08039	0.5
127.03917	1.1
127.07558	12.2
128.98616	0.8
134.99640	0.6
137.05978	14.5
137.09637	0.4
145.04974	1.4
146.99699	0.4
149.01213	0.7
155.07036	100.0
156.07433	3.2
158.99678	0.5
163.03900	1.1
173.08105	38.1
174.08510	1.0
177.00842	0.9
180.08649	1.9
190.05006	0.6
190.10704	1.0
192.60715	0.4
192.98676	0.5
216.98680	0.7
219.01886	1.0
234.99806	1.3
258.99829	0.8
270.99945	0.6
293.05371	0.8
310.08963	1.0
311.06317	0.6
312.07718	0.4
317.12271	0.8
330.07080	1.3
348.07922	0.9
352.10037	1.7
352.13837	0.4
352.22305	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83015	1.0
55.05510	2.3
57.07073	2.1
59.05009	2.7
59.47630	1.2
67.05505	7.5
69.03430	1.9
69.07066	5.9
69.35372	5.7
71.04989	2.2
71.08646	1.1
79.05502	7.4
81.03429	1.1
81.07057	100.0
82.07385	1.8
83.69721	1.1
85.02905	13.7
85.09697	1.2
89.63372	1.2
91.05476	3.2
93.07047	3.4
95.04961	1.2
95.08604	34.4
97.02903	2.2
99.08095	3.4
105.07018	1.7
107.04971	4.9
107.08592	2.2
109.02876	2.1
111.11716	2.0
120.08180	1.4
121.10213	1.8
122.87200	1.1
124.03989	1.9
126.09174	1.2
127.03898	1.6
131.04924	1.9
133.10139	3.9
135.04385	1.8
137.03255	1.2
137.06000	1.5
137.13257	43.6
145.04979	5.0
145.08800	1.3
151.03940	1.7
155.14330	11.8
163.06006	3.9
167.07098	2.7
169.10081	1.2
173.05997	1.6
180.10220	2.4
191.14392	1.9
192.07822	2.1
250.10788	1.7
261.09192	1.7
274.64230	1.3
302.13730	3.1
320.14706	2.6
321.11325	1.7
334.16571	1.4
352.17529	3.9
353.14160	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	352.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18010	1.5
53.03944	2.0
55.01864	4.1
55.05515	12.3
55.10418	1.2
56.05037	8.8
58.06573	1.2
60.04525	13.6
67.05504	31.5
68.05018	2.9
69.03419	2.0
69.07069	30.4
70.06586	4.0
71.04992	3.1
77.03921	2.1
79.05044	2.0
79.05495	30.8
80.05019	16.5
81.03436	3.1
81.05798	3.1
81.07056	26.3
82.06572	5.3
83.04977	3.1
83.08614	5.5
84.08144	1.8
91.05472	21.3
92.05016	1.7
93.07045	27.5
94.06573	20.5
95.04976	10.1
95.07356	5.1
95.08608	21.1
96.08138	4.6
97.06532	5.4
98.09747	1.5
103.05518	2.0
105.07031	26.1
105.07721	1.6
106.06591	3.4
107.04961	5.5
107.08598	16.9
108.08121	9.0
109.06531	3.2
109.10154	9.3
110.06027	2.3
111.08067	2.1
117.07016	6.2
119.08579	18.2
120.08116	4.7
121.06461	2.4
121.08968	1.2
121.09203	1.6
121.10147	17.2
122.09675	3.7
123.11675	1.5
124.07625	3.4
125.09624	2.1
129.06999	2.0
131.08563	8.8
132.08110	1.6
133.10144	15.3
134.09680	4.1
135.08066	1.5
135.11662	6.3
136.07562	2.3
136.11230	2.4
137.09613	4.1
138.12794	6.4
143.08557	2.6
145.06525	1.7
145.09047	2.1
145.10098	10.1
146.51833	1.3
147.11671	9.8
148.11211	3.0
149.09665	3.4
150.09163	1.9
150.12785	1.9
152.10686	2.0
154.12280	2.2
157.10144	2.3
159.11731	6.4
160.07605	4.7
161.13290	3.7
162.09183	2.3
163.11179	6.2
164.10760	3.4
164.14311	1.5
165.07072	1.6
170.09789	2.2
171.10417	2.1
171.11739	3.0
173.11748	1.5
173.13271	3.6
174.09148	2.3
176.14346	2.8
177.12746	29.5
180.13855	5.5
185.13503	1.6
186.09102	2.0
186.12807	1.9
188.10670	8.8
190.16127	1.5
192.13867	2.0
194.15402	4.6
198.14970	2.2
201.11371	2.0
204.13808	12.9
206.15410	4.5
208.13374	1.6
210.14841	3.4
212.10617	1.4
212.14629	1.7
212.16490	6.1
214.08693	1.6
214.12285	13.4
216.10272	1.7
216.14044	3.0
222.14896	20.7
223.15555	2.6
224.16460	2.5
226.14442	3.3
230.15649	2.4
232.09720	9.1
236.16528	7.0
237.10132	1.3
238.12315	2.6
239.17998	2.6
240.13889	2.9
257.19022	10.3
258.14890	7.5
272.16470	7.9
272.19086	1.4
274.21671	20.9
275.20041	37.0
275.22821	1.9
276.20367	3.1
284.12872	5.8
290.17606	4.2
290.21194	4.8
292.22708	100.0
293.20764	3.0
293.23511	2.9
302.13882	7.4
316.15350	3.0
316.22711	3.7
329.05219	1.5
334.13440	2.7
334.23767	29.5
352.12894	2.1
352.24857	71.8
353.10165	2.9
353.25244	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	353.0846
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
56.96544	2.0
59.84007	1.6
66.19086	1.5
69.03426	3.6
70.24380	2.6
70.24715	2.7
73.02919	1.8
85.02911	6.4
87.25544	1.7
97.02876	2.3
127.03947	2.6
134.42183	1.5
143.01894	2.8
145.04991	1.8
173.02966	2.8
183.04932	2.7
203.04111	2.2
245.05159	4.6
255.07327	1.9
353.08447	100.0
354.08725	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	353.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	2.0
59.84007	1.6
66.19086	1.5
69.03426	3.6
70.24380	2.6
70.24715	2.7
73.02919	1.8
85.02911	6.4
87.25544	1.7
97.02876	2.3
127.03947	2.6
134.42183	1.5
143.01894	2.8
145.04991	1.8
173.02966	2.8
183.04932	2.7
203.04111	2.2
245.05159	4.6
255.07327	1.9
353.08447	100.0
354.08725	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	353.1488
Annotation	CCT018159
Peak:m/z	Relative Intensity
55.05502	4.2
62.92374	1.3
64.83037	1.4
67.05515	12.0
69.07077	3.5
69.12544	9.2
79.05488	6.3
81.07060	11.3
83.08605	1.7
91.05477	4.2
93.07040	7.1
95.08591	7.5
97.06525	1.9
98.23519	2.4
99.08140	2.0
99.56517	1.5
103.46027	1.3
105.07030	4.2
107.08572	5.2
109.06538	2.8
109.10182	6.8
114.59718	1.5
119.08562	4.1
121.10152	3.0
123.11732	1.9
129.07013	2.0
131.08562	4.5
133.10129	3.4
135.11740	1.8
141.06958	1.5
143.08536	2.3
145.10100	3.5
157.10114	2.1
169.10173	2.0
171.32455	1.6
178.13545	1.5
185.13142	1.4
197.13257	2.0
243.21036	1.4
261.22153	5.6
342.74033	1.6
352.31851	4.6
353.14880	100.0
353.24478	12.6
353.31934	2.8
354.15363	9.3
354.33621	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1698
Annotation	Ile-lle-OH
Peak:m/z	Relative Intensity
50.86010	0.4
55.05493	0.8
60.62066	0.5
67.05488	1.4
69.07076	1.4
73.71127	0.4
79.05508	1.2
80.05019	0.8
81.07051	1.1
83.08621	0.6
91.05490	1.1
93.07050	0.6
95.08601	0.8
105.07030	1.0
107.08613	0.9
109.06504	0.6
119.08567	0.7
121.10181	0.6
123.08115	0.4
125.09639	0.5
133.10117	0.6
144.18701	0.4
159.11803	0.5
189.12837	0.4
222.14922	0.5
273.17984	0.4
276.20404	0.8
292.22687	1.3
293.23056	2.5
335.15933	3.7
335.23792	0.8
353.16983	100.0
353.60205	0.5
354.17273	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	353.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.3
62.98259	7.6
67.05505	3.3
69.07079	1.0
69.12665	4.1
70.06573	1.0
71.08620	1.0
72.04517	1.0
77.96959	1.7
79.05508	1.4
81.07052	3.1
81.21169	0.7
88.07641	0.9
91.05510	1.3
93.07044	2.4
95.04984	1.1
95.08603	2.5
97.95714	0.7
103.98460	1.2
105.07030	1.0
107.08610	1.4
109.10189	1.2
116.99284	4.3
119.08537	1.2
121.10121	0.9
135.11673	1.1
145.02402	1.0
145.10123	1.2
145.55350	0.9
149.13260	1.0
159.03963	1.4
165.12779	1.3
173.05563	1.3
191.14297	0.8
199.07094	2.8
213.08640	2.7
241.08168	1.7
244.07468	0.9
255.09686	8.2
257.11270	1.0
261.22159	1.5
284.10034	1.2
335.15942	78.5
336.16339	4.4
353.17007	100.0
354.17413	6.0
354.33640	4.6
369.04865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1699
Annotation	Ile-lle-OH
Peak:m/z	Relative Intensity
50.41138	0.4
52.02029	0.4
55.05518	0.5
59.04968	0.5
62.98248	0.5
63.09230	0.4
67.05507	4.4
69.89568	0.4
73.58376	0.4
77.96959	1.0
79.05484	2.2
81.07056	4.1
89.97002	0.5
91.05475	1.0
93.07040	2.1
95.08610	3.1
103.07594	1.4
103.98502	2.0
105.07068	0.9
107.08607	1.4
109.10145	1.1
116.99251	1.8
117.07024	0.4
121.10147	1.3
123.11743	1.0
124.15127	0.3
131.00868	0.6
131.08574	1.1
133.10126	0.5
135.11681	0.9
137.13326	0.4
143.43021	0.4
145.02365	0.6
145.10144	0.7
147.11656	0.6
149.13264	1.2
159.03995	0.5
159.11705	0.6
163.14836	0.7
173.05478	1.1
173.13229	0.5
187.14809	0.5
188.07823	0.7
243.21086	1.7
255.09726	1.1
261.22107	3.0
335.15652	2.6
335.25916	1.1
336.28708	0.4
353.16989	100.0
354.17255	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	353.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.2
55.01858	1.2
55.05505	12.1
57.03436	5.3
57.07073	6.0
57.80382	0.8
57.94655	0.9
62.98250	0.8
65.03934	2.8
67.05501	98.3
68.05830	1.4
69.07067	13.9
69.51502	3.5
71.04987	1.5
71.08617	3.9
75.04485	0.9
75.15665	0.8
77.03933	1.4
77.96945	1.3
79.05490	53.5
81.07052	91.7
82.07364	1.5
83.04964	2.3
83.08617	10.4
85.00296	0.8
85.06530	4.3
85.10176	2.2
89.80439	0.8
91.04944	1.8
91.05475	22.4
93.06177	1.1
93.07038	71.1
95.04947	5.0
95.08602	73.7
96.08906	1.6
97.06508	2.9
97.10143	3.0
98.23454	2.0
99.08091	6.0
103.98455	2.9
105.04524	1.7
105.06349	1.2
105.07024	17.4
107.08591	39.1
109.06508	2.9
109.10148	29.5
111.08089	2.4
111.11713	0.9
113.09636	2.3
116.99244	5.3
117.07013	10.9
119.08571	11.0
121.10135	36.2
123.08070	1.8
123.11703	14.2
125.09634	1.4
126.76884	0.9
129.06947	1.0
131.08553	22.3
133.10123	11.8
135.11690	26.3
137.09654	1.3
137.13243	8.1
139.11136	1.3
145.10110	15.6
147.11655	11.3
149.09676	1.9
149.13240	20.4
151.11185	0.9
151.14818	3.4
153.12733	2.4
159.11667	15.0
161.13234	8.2
163.14807	14.9
165.12709	1.8
173.05492	5.4
173.13254	13.4
175.14821	3.5
177.12784	2.0
177.16370	6.3
179.14288	1.3
187.14793	9.5
191.14323	1.9
201.16385	3.2
205.15843	2.8
215.17889	1.1
217.08139	1.7
217.19492	1.1
219.17479	1.5
233.19043	1.3
233.22627	5.9
243.21075	33.7
244.21559	1.2
255.09645	1.1
257.53888	0.8
261.22116	85.2
262.22458	3.6
263.23917	1.1
271.09149	0.9
279.20313	1.2
279.23132	4.3
335.16013	1.7
335.25751	15.0
351.97650	0.9
353.16968	100.0
354.17395	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	353.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77160	0.5
53.03945	1.0
55.01860	1.0
55.05507	2.2
57.03421	2.0
57.07065	0.7
61.02906	1.5
67.05495	2.0
69.03428	18.7
69.07068	15.2
69.66182	0.4
70.07371	0.5
70.14584	0.4
71.04980	1.2
72.29699	0.4
73.02909	1.0
75.20298	0.4
75.50771	0.4
79.05494	2.9
81.03410	3.8
81.07061	6.3
83.04989	2.7
83.08617	1.4
84.08123	0.7
85.02905	14.9
85.06532	2.5
86.03255	0.5
87.04466	0.8
91.03950	0.4
91.05462	2.9
93.07050	3.6
95.04965	1.4
95.08605	8.4
97.02914	2.5
97.06528	1.0
98.22666	0.9
99.04456	1.0
103.03961	0.5
103.05521	0.5
105.07030	5.3
107.04921	1.2
107.08596	10.0
109.02876	1.4
109.06487	2.4
109.10130	1.0
110.90899	0.5
111.08073	4.1
112.39246	0.4
115.03855	0.6
117.07005	0.6
119.08582	4.8
120.08069	0.7
121.06487	2.1
121.10147	6.5
123.08057	4.1
127.03928	4.5
129.06953	0.6
130.04979	0.7
131.08569	9.0
133.06444	0.5
133.10126	7.7
134.10376	0.5
135.08044	14.8
135.11649	2.8
136.08418	0.5
137.09590	1.0
137.13214	0.8
143.02512	0.4
143.08560	1.5
145.04919	1.2
145.10068	3.4
147.11673	4.2
149.09624	6.3
149.13278	2.5
151.03938	0.5
152.10733	0.8
155.14323	1.0
158.10892	3.4
161.09621	0.8
163.11276	0.4
163.14822	2.8
164.07060	1.8
167.07063	0.5
173.13263	17.7
174.13647	0.9
175.14742	1.2
176.11983	0.5
191.14302	100.0
192.14636	6.6
194.07547	0.4
202.86189	0.4
212.22957	0.4
254.93564	0.5
293.11945	0.7
294.09741	1.4
321.05823	1.5
335.10693	0.5
335.18375	0.6
351.16260	0.4
353.08316	0.6
353.12296	1.6
353.19568	11.1
354.12097	0.4
354.19946	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	6.4
57.03440	3.2
57.07066	10.0
62.17600	2.7
67.05505	18.5
69.03416	3.2
69.07063	17.2
70.06578	2.8
74.84432	2.6
79.05479	8.9
81.03392	3.0
81.07053	100.0
82.56937	2.7
83.08591	3.8
83.26295	2.8
84.08131	7.8
85.02896	14.2
85.06546	26.1
89.03883	4.4
95.04961	5.7
95.08603	64.7
97.10120	2.9
99.08084	9.9
103.05513	3.3
105.07001	5.5
107.04948	5.7
107.08611	2.9
109.02824	2.7
109.10154	5.2
111.11710	3.8
117.03360	7.0
117.06986	3.9
118.06535	9.0
119.08604	4.0
120.08102	9.5
121.10138	2.6
130.08646	3.7
131.08589	3.0
132.05307	2.9
135.04387	13.3
137.13255	44.6
138.13542	2.7
145.02846	10.4
146.05966	16.1
152.10687	4.6
155.14311	25.9
163.03903	63.6
164.04263	3.9
164.07069	10.8
166.08644	6.5
167.07056	3.4
173.09627	2.6
173.13239	3.8
173.15335	9.8
188.07060	8.6
191.14532	4.7
191.16394	63.6
294.09744	10.7
321.09378	5.3
353.15341	13.7
353.20337	8.6
379.47791	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	353.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	7.9
56.08647	2.0
57.07084	9.9
57.56922	1.8
61.21530	1.8
67.04727	1.8
67.05504	16.4
69.03392	4.4
69.07074	19.2
69.63189	6.0
69.63602	3.7
79.05492	7.6
81.03405	3.1
81.07059	100.0
83.08619	3.1
84.08128	11.2
85.02908	11.4
85.06540	22.1
89.03928	2.7
91.05498	3.1
93.07074	4.0
95.04965	3.0
95.08613	55.6
97.10180	3.1
98.23387	2.7
99.04468	2.1
99.08093	10.1
107.04954	2.9
109.02870	2.7
109.10149	3.4
117.03368	4.8
118.06547	8.1
120.08116	17.2
125.13349	2.0
130.08672	3.1
131.04938	3.9
131.08571	3.3
135.04446	9.6
137.13254	32.5
144.08089	3.4
145.02846	6.3
145.10181	2.6
146.06003	17.2
151.03992	2.6
152.10719	6.2
155.14319	25.0
163.03893	49.0
164.07083	8.1
166.08630	13.0
173.13292	5.2
173.15372	8.4
175.14822	2.6
177.05392	2.3
182.08253	2.1
188.07066	17.4
190.05025	2.6
191.06998	3.0
191.16425	56.8
192.16719	2.4
203.02298	2.0
275.09113	2.0
293.11438	2.5
293.14865	3.0
294.09717	7.5
307.16422	2.6
308.14633	3.0
321.09604	4.5
353.15161	9.0
353.20706	8.1
354.15512	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98741	1.4
53.03951	1.5
55.05504	6.0
56.05028	2.8
57.03421	3.3
57.07088	7.5
57.24467	1.2
67.05498	16.4
69.03428	3.5
69.07068	28.7
69.96888	1.3
70.54598	1.6
71.04992	7.6
71.08646	2.6
79.05477	6.7
81.03400	1.9
81.07056	100.0
82.07388	3.2
83.08620	5.5
84.08140	78.2
85.02901	45.0
85.06544	29.8
85.10191	1.6
91.05458	2.1
93.07054	3.6
95.04974	2.0
95.08607	57.3
96.08957	3.8
97.10166	2.8
99.08089	24.0
104.38131	1.5
104.97831	1.5
107.05058	1.9
107.08582	1.8
108.08131	2.0
109.10139	8.4
110.10497	2.3
111.11744	4.5
120.08080	4.3
121.10149	5.7
125.13247	2.9
127.03882	2.1
130.05037	2.7
130.08641	23.3
131.03407	3.2
137.13260	34.8
138.09097	1.8
139.11307	2.0
143.14326	7.5
146.06033	1.7
150.05551	3.2
152.07074	1.9
155.10696	3.6
155.14301	88.4
156.11057	4.4
156.14679	4.1
157.12233	7.7
163.03969	2.1
164.05882	1.5
164.07062	70.3
165.07819	7.0
173.15369	76.5
174.15742	3.5
175.13396	2.1
178.08665	3.0
182.08136	5.9
189.53024	1.6
191.14368	4.1
191.16399	28.7
196.09633	3.0
224.09103	3.8
229.32854	1.5
248.12576	1.8
279.13458	3.0
280.08112	4.6
289.11905	2.3
293.11798	1.4
293.14951	42.2
294.09720	75.1
294.15439	6.6
295.10580	3.9
312.10782	7.9
335.12393	3.3
353.13489	4.1
353.17188	13.1
353.20679	2.1
354.11636	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	353.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
65.32438	0.5
69.54773	2.0
89.29168	0.5
98.22731	1.0
98.31202	0.5
126.97742	0.6
180.26091	0.5
188.08299	0.6
221.23181	0.5
335.21960	0.8
353.22952	100.0
354.23203	5.6
367.07684	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
60.04508	0.6
66.61367	0.2
67.05492	0.7
69.07066	0.6
69.19136	1.6
79.05476	1.1
80.04994	0.6
81.07047	1.1
83.08620	0.3
91.05474	0.3
93.07034	1.1
94.06545	0.3
95.08632	0.3
98.22650	0.6
105.07027	0.7
106.77800	0.3
107.08571	0.6
108.08111	0.3
108.08916	0.5
109.06579	0.4
111.08068	1.0
119.08578	0.5
121.10101	0.4
123.08021	0.2
131.08571	0.3
133.10077	0.3
145.70772	0.3
153.09145	0.4
188.41370	0.3
192.98471	0.3
196.11325	0.3
275.22012	0.3
276.20532	0.4
293.23019	1.6
294.24185	1.2
353.22928	100.0
354.23199	5.8
354.26895	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.4
55.01867	7.5
55.05511	20.3
57.03429	23.3
57.07073	5.1
59.05006	6.3
61.02927	26.5
67.05500	40.5
69.03427	56.1
69.07065	23.8
70.32425	7.1
71.04993	53.4
73.06533	4.8
74.24823	3.7
79.05491	37.9
81.03412	20.7
81.07052	100.0
83.04987	15.3
83.08604	9.0
85.02898	29.7
87.04471	25.6
91.03947	18.0
91.05477	43.9
93.07043	77.8
95.04969	35.8
95.08018	6.9
95.08604	87.5
97.02891	37.3
97.06531	23.0
97.10151	7.9
99.04477	8.4
99.08105	9.5
105.07030	84.3
107.04977	6.9
107.08596	72.2
109.06554	22.0
109.10155	72.6
111.04435	15.6
111.08052	6.0
113.09589	5.3
115.03928	13.6
117.07025	16.5
119.08580	84.4
121.06506	17.2
121.10138	92.3
123.04428	10.6
123.08073	26.5
123.11728	22.5
125.05992	6.0
125.09623	17.5
127.11193	48.6
129.05495	4.3
129.06992	13.7
131.08556	39.6
133.04962	13.1
133.06500	3.9
133.10126	70.6
135.08064	11.7
135.11685	44.1
136.08896	4.4
137.05894	5.0
137.09621	16.3
137.13235	5.1
141.05412	6.9
141.06989	10.6
142.07782	9.7
143.08568	27.0
145.06488	4.9
145.10132	47.2
147.08047	13.4
147.11671	58.2
149.09619	9.9
149.13243	22.6
150.44876	3.8
151.07538	7.8
151.11157	4.6
153.12721	25.8
155.08531	9.6
156.09418	5.1
157.10110	34.6
159.06554	12.3
159.08046	13.4
159.11687	71.4
161.09616	9.8
161.13226	22.6
163.11195	6.6
163.14774	7.8
165.06909	6.2
165.09143	7.8
165.12729	7.9
167.07106	5.3
167.08546	3.7
167.10626	6.4
169.08720	4.3
169.10094	17.4
171.08066	8.1
171.11702	21.2
173.09650	10.2
173.13258	20.5
175.11224	13.2
175.14810	12.2
177.09096	13.9
177.12752	18.2
183.11673	12.0
185.09679	5.7
185.13234	20.0
187.09702	6.9
187.14812	12.4
189.12833	9.0
189.16364	47.5
190.16681	4.2
191.14288	8.5
193.15874	9.6
195.10168	9.2
195.11723	14.9
195.17400	6.5
197.13228	8.6
199.14836	10.3
201.12764	20.2
201.16367	26.4
203.14243	5.7
203.18053	20.2
207.17383	4.5
209.13272	7.2
211.14775	8.6
213.11058	7.4
213.12770	16.9
213.16315	8.2
215.17982	8.9
217.19498	8.0
219.14020	3.8
219.17445	12.0
221.18982	7.9
227.17999	14.5
229.15825	7.9
231.13832	16.4
231.17477	6.4
233.19006	4.8
243.17474	5.7
245.19017	26.5
247.16844	4.9
249.14905	7.3
253.19504	5.4
263.20059	14.7
267.15771	7.0
269.18945	14.1
281.19049	13.0
287.20013	15.0
293.11844	5.9
299.20062	31.2
305.21057	9.8
317.21085	26.5
321.10898	5.0
335.22119	41.1
353.13770	7.2
353.19388	6.1
353.23221	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.4
55.01867	7.5
55.05511	20.3
57.03429	23.3
57.07073	5.1
59.05006	6.3
61.02927	26.5
67.05500	40.5
69.03427	56.1
69.07065	23.8
70.32425	7.1
71.04993	53.4
73.06533	4.8
74.24823	3.7
79.05491	37.9
81.03412	20.7
81.07052	100.0
83.04987	15.3
83.08604	9.0
85.02898	29.7
87.04471	25.6
91.03947	18.0
91.05477	43.9
93.07043	77.8
95.04969	35.8
95.08018	6.9
95.08604	87.5
97.02891	37.3
97.06531	23.0
97.10151	7.9
99.04477	8.4
99.08105	9.5
105.07030	84.3
107.04977	6.9
107.08596	72.2
109.06554	22.0
109.10155	72.6
111.04435	15.6
111.08052	6.0
113.09589	5.3
115.03928	13.6
117.07025	16.5
119.08580	84.4
121.06506	17.2
121.10138	92.3
123.04428	10.6
123.08073	26.5
123.11728	22.5
125.05992	6.0
125.09623	17.5
127.11193	48.6
129.05495	4.3
129.06992	13.7
131.08556	39.6
133.04962	13.1
133.06500	3.9
133.10126	70.6
135.08064	11.7
135.11685	44.1
136.08896	4.4
137.05894	5.0
137.09621	16.3
137.13235	5.1
141.05412	6.9
141.06989	10.6
142.07782	9.7
143.08568	27.0
145.06488	4.9
145.10132	47.2
147.08047	13.4
147.11671	58.2
149.09619	9.9
149.13243	22.6
150.44876	3.8
151.07538	7.8
151.11157	4.6
153.12721	25.8
155.08531	9.6
156.09418	5.1
157.10110	34.6
159.06554	12.3
159.08046	13.4
159.11687	71.4
161.09616	9.8
161.13226	22.6
163.11195	6.6
163.14774	7.8
165.06909	6.2
165.09143	7.8
165.12729	7.9
167.07106	5.3
167.08546	3.7
167.10626	6.4
169.08720	4.3
169.10094	17.4
171.08066	8.1
171.11702	21.2
173.09650	10.2
173.13258	20.5
175.11224	13.2
175.14810	12.2
177.09096	13.9
177.12752	18.2
183.11673	12.0
185.09679	5.7
185.13234	20.0
187.09702	6.9
187.14812	12.4
189.12833	9.0
189.16364	47.5
190.16681	4.2
191.14288	8.5
193.15874	9.6
195.10168	9.2
195.11723	14.9
195.17400	6.5
197.13228	8.6
199.14836	10.3
201.12764	20.2
201.16367	26.4
203.14243	5.7
203.18053	20.2
207.17383	4.5
209.13272	7.2
211.14775	8.6
213.11058	7.4
213.12770	16.9
213.16315	8.2
215.17982	8.9
217.19498	8.0
219.14020	3.8
219.17445	12.0
221.18982	7.9
227.17999	14.5
229.15825	7.9
231.13832	16.4
231.17477	6.4
233.19006	4.8
243.17474	5.7
245.19017	26.5
247.16844	4.9
249.14905	7.3
253.19504	5.4
263.20059	14.7
267.15771	7.0
269.18945	14.1
281.19049	13.0
287.20013	15.0
293.11844	5.9
299.20062	31.2
305.21057	9.8
317.21085	26.5
321.10898	5.0
335.22119	41.1
353.13770	7.2
353.19388	6.1
353.23221	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.1
55.01868	25.4
55.05515	38.5
57.03437	38.9
57.07076	21.5
59.04999	4.9
62.72172	2.8
65.03932	6.7
66.15922	3.2
67.05164	6.6
67.05505	96.6
68.05852	3.5
69.06715	4.6
69.07071	38.1
71.01342	3.8
71.04993	7.9
71.08318	3.6
71.08636	33.1
71.44842	3.4
79.05492	69.1
81.03411	8.0
81.07057	100.0
83.04982	29.4
83.08622	16.3
85.06561	9.1
91.05475	51.9
93.07046	66.2
95.04974	54.6
95.08607	72.1
97.02868	4.2
97.06525	15.6
97.10163	10.8
98.07349	6.1
99.08080	12.8
105.04546	3.5
105.07033	37.4
107.04948	65.0
107.08594	39.6
109.06512	29.3
109.10147	38.4
111.04458	6.5
111.08065	6.3
111.11758	3.5
112.05260	7.8
113.06007	11.1
117.07030	23.8
119.04954	5.2
119.08585	32.3
121.06487	13.5
121.10153	25.4
122.07297	23.0
123.04408	5.9
123.08078	9.9
123.11665	15.5
125.05977	4.5
125.09654	7.5
128.06177	3.7
129.06998	14.1
131.08560	27.9
133.06471	19.4
133.10158	16.2
135.08107	17.1
135.11691	26.3
137.09627	8.6
137.13223	6.0
139.11281	3.8
141.07007	4.4
141.12744	10.4
143.08563	13.3
145.06502	11.3
145.10086	17.7
147.08058	28.1
147.11691	11.0
149.09637	9.7
149.13225	8.0
151.07536	4.1
155.08578	5.1
157.10147	8.8
159.11673	7.5
161.09610	17.8
161.13300	6.1
162.10345	3.7
163.11194	8.8
163.14810	6.8
165.09084	4.3
165.12767	5.9
166.13133	5.5
169.10167	4.7
169.15880	19.3
171.11679	8.5
173.13268	12.4
175.11128	3.8
177.12750	9.5
180.13881	3.3
183.13770	38.3
185.13245	5.0
187.11162	4.1
187.14816	12.4
189.12782	5.3
197.13306	5.0
203.14339	4.2
205.15921	8.1
215.14310	10.0
233.15359	46.0
237.16475	3.6
251.23689	22.0
261.22058	15.9
273.18439	20.0
274.09338	3.5
279.19559	19.8
279.23203	13.7
287.53571	3.1
289.18286	3.7
290.18781	10.1
299.57916	4.2
319.22711	5.9
335.27850	23.7
353.16953	13.6
353.26837	34.7
354.26801	4.0
354.33521	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.76698	1.3
53.03933	1.9
53.94277	1.3
55.05505	15.0
55.13934	1.4
56.14219	1.4
57.03427	5.2
57.07064	5.5
65.03940	2.8
67.05504	91.1
68.05818	2.0
69.07065	12.5
69.23946	4.8
69.24358	4.1
71.08635	3.8
79.05491	55.8
81.07056	94.3
83.08646	7.2
85.06529	6.4
91.05473	24.1
93.07040	61.0
94.07373	1.8
95.04942	4.2
95.08604	74.1
96.08955	2.0
97.06536	3.2
97.10159	3.5
99.08095	4.4
105.04507	1.4
105.07022	17.4
107.08587	38.5
109.06503	2.3
109.10146	27.6
110.10485	1.8
111.08061	2.5
113.09645	3.0
116.99233	1.6
117.07021	8.9
119.08588	12.3
121.10147	29.0
123.08093	2.3
123.11701	14.4
131.04797	1.4
131.08565	21.9
133.10101	10.4
135.11688	22.8
137.09602	2.2
137.13251	9.2
139.11095	1.9
145.10129	14.4
147.11697	14.3
149.09552	1.9
149.13255	23.2
151.14822	4.3
153.12769	3.1
159.11703	11.8
161.13269	8.9
163.14827	17.5
173.05501	3.6
173.13232	13.8
175.14870	3.8
177.16368	6.1
179.14363	1.9
187.14769	9.3
201.16362	1.9
215.17912	2.4
217.07840	2.1
233.22610	7.6
243.21045	34.4
244.21352	1.9
261.22128	100.0
262.22675	6.9
279.23248	3.8
335.25775	13.7
353.16956	40.4
353.26846	11.5
354.17365	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	353.2688
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
55.01855	2.6
55.05510	10.4
57.03429	1.8
57.07080	8.4
57.09958	1.1
59.04987	1.1
59.75711	1.0
64.77225	1.2
67.05506	15.8
69.03419	3.9
69.07068	21.4
69.97050	3.6
71.05013	2.9
71.08625	19.4
73.12492	1.2
77.78542	1.0
79.05493	10.4
81.07056	29.7
83.04975	1.9
83.08629	7.3
85.06554	2.3
91.05484	7.2
93.07047	11.2
95.04981	7.2
95.08598	23.7
95.74341	1.3
97.06541	5.9
97.10172	3.3
99.08097	15.9
105.07026	11.1
107.08586	10.1
109.06513	21.7
109.10146	10.7
111.08067	1.3
117.06987	1.7
119.08581	10.8
121.06509	4.8
121.10125	8.4
123.08032	2.4
123.11676	2.9
131.08546	6.9
133.10110	9.6
135.08040	4.4
135.11691	4.6
137.09595	1.5
137.13177	1.3
139.11177	4.2
141.09123	1.7
143.08539	1.6
145.10083	5.3
147.11691	3.5
149.13237	3.8
150.60988	1.1
151.11145	1.6
151.14801	2.1
153.12807	1.5
159.11708	2.8
161.13208	3.4
163.11156	4.5
163.14810	1.4
165.12759	40.9
166.13083	2.3
173.13330	2.1
175.14827	4.0
177.12758	4.9
179.14270	2.7
187.14864	1.3
189.16429	2.1
191.14293	1.6
191.17818	1.9
201.16341	1.6
209.19037	13.3
219.17496	1.7
237.18448	2.3
253.02528	1.2
261.22174	2.1
275.20050	1.4
279.07547	1.2
279.19577	3.3
289.25262	17.3
299.23676	1.6
307.26450	5.7
317.24738	73.0
318.15543	1.2
318.25009	6.4
335.25787	100.0
336.26163	6.5
354.33591	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	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
53.08043	1.0
55.05510	16.7
57.03445	5.5
57.07072	4.4
57.92216	1.0
64.79026	1.1
65.03938	3.2
67.05503	90.3
68.05830	2.3
69.07062	14.1
71.04990	2.0
75.04462	2.1
77.03941	1.6
79.05490	40.0
81.07054	96.4
82.07394	2.7
83.08618	7.8
84.31612	1.0
85.06547	3.2
91.05470	19.5
93.07043	55.2
94.07401	2.8
95.04971	4.2
95.08604	71.1
96.08955	1.8
97.06534	3.1
97.10152	1.5
98.23459	2.3
99.08054	1.6
101.51881	1.2
105.07025	16.8
107.08589	33.7
109.06486	1.1
109.10149	32.3
110.10484	1.1
113.09647	2.4
117.06995	9.0
119.08574	14.1
121.10144	31.8
123.08119	1.2
123.11702	19.2
131.08566	18.7
133.10126	10.7
135.11679	24.3
135.12640	1.7
137.09607	1.9
137.13242	8.0
145.10127	14.3
147.11687	10.1
149.13258	17.7
151.14821	1.9
153.12793	1.4
159.11676	10.7
161.13261	7.8
163.14822	12.1
173.13246	11.3
175.14827	3.3
177.12747	1.3
177.16389	4.2
187.14774	7.2
191.14328	1.6
201.16362	2.7
205.15889	1.9
219.17281	1.3
226.08104	1.2
233.22627	5.2
243.21092	24.7
244.21408	2.3
253.46574	1.3
261.22128	100.0
262.22479	5.9
279.23187	7.5
317.24857	1.2
335.25803	13.7
336.26080	1.5
353.26874	35.7
354.27289	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03938	2.6
55.05510	11.9
57.03428	5.1
57.07071	3.2
57.10649	1.0
57.10935	1.2
57.20357	1.1
65.03938	2.2
67.05505	80.7
68.05845	1.4
69.07066	11.0
69.32075	4.0
70.55180	1.1
71.05001	1.8
71.08618	1.8
71.14331	1.1
77.03914	1.5
78.23051	1.2
79.05489	32.9
81.07058	88.4
82.07391	2.6
83.04999	2.1
83.08603	6.6
85.06567	2.4
89.32018	1.0
90.10126	1.1
91.05490	16.1
91.43735	1.3
93.07040	47.1
95.04980	3.1
95.08604	67.0
96.08971	2.3
97.06546	2.8
97.10168	3.1
99.08092	2.0
105.04535	2.6
105.07034	13.6
107.08593	34.7
109.06583	1.1
109.10156	38.8
109.10898	2.3
110.10486	1.1
111.08090	2.0
113.09618	2.4
117.06994	10.0
119.08592	14.1
121.10141	28.8
123.11708	20.5
131.08565	17.9
133.10132	12.6
135.11697	25.8
137.09695	1.8
137.13275	9.6
139.11224	1.5
145.10124	13.6
147.11693	9.6
149.09608	1.4
149.13255	20.4
151.11189	1.3
151.14841	1.7
153.12762	2.2
159.11694	14.7
161.13237	8.7
162.66243	1.2
163.14818	11.2
165.12776	1.9
173.13283	15.8
175.14828	4.1
177.16420	5.1
179.14319	1.6
187.14853	9.7
189.16324	1.2
201.16420	2.5
215.18011	1.3
233.22702	4.2
243.21080	25.4
261.22128	100.0
262.22473	8.2
263.23859	1.8
268.08093	1.0
279.23099	7.4
301.28909	1.3
317.24710	1.5
335.25839	10.5
353.14868	5.4
353.26895	32.2
354.27338	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	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01887	1.0
55.05511	14.6
57.03438	4.0
57.07076	5.5
65.03934	1.9
67.05505	92.6
68.05852	2.0
69.07070	13.4
69.17617	2.4
69.18054	3.0
70.33560	0.8
71.04996	2.6
71.08643	4.4
75.04492	2.2
77.03927	1.9
79.05493	44.1
80.05840	0.9
81.07056	91.9
82.07399	1.4
83.04980	1.2
83.08625	7.6
85.06556	3.0
91.05479	22.9
92.05836	0.9
93.07043	61.4
95.04985	3.2
95.08605	66.6
96.08973	1.0
97.06524	4.0
97.10199	3.7
99.08099	3.7
105.04507	1.2
105.07027	16.5
107.08595	40.8
108.08939	1.0
109.06548	2.6
109.10156	34.7
110.10508	1.4
110.14693	0.8
111.08096	1.8
111.11725	1.3
113.09657	1.9
115.04686	0.8
117.07014	8.9
117.07651	0.7
119.06067	1.1
119.08582	16.6
121.06528	0.8
121.10142	35.3
123.08125	2.6
123.11708	21.1
125.09638	1.8
130.07854	1.1
131.08578	19.7
132.08954	0.8
133.10120	15.8
135.11688	29.4
137.09650	3.2
137.13258	8.5
139.11197	1.7
143.08580	0.9
145.10121	17.0
145.11192	1.3
146.10503	0.9
147.11681	10.6
147.12720	1.0
149.13261	22.4
149.14418	1.2
151.11174	1.4
151.14857	1.9
153.12817	2.6
159.11697	14.6
161.13260	10.2
163.14830	12.3
165.12842	2.4
165.16415	0.9
172.12393	0.8
173.13246	16.4
175.14899	3.3
177.12729	1.3
177.16385	4.7
179.14415	1.1
187.14799	12.2
187.16245	1.0
190.18562	0.8
191.14290	1.0
201.16344	5.0
205.16019	1.2
215.14328	4.6
215.18034	1.4
219.17477	1.7
233.22650	3.9
235.28078	0.8
243.21071	24.0
243.23393	1.2
244.21609	1.5
257.83615	0.8
261.22131	100.0
262.22516	7.9
263.23901	1.0
279.23303	4.1
291.23325	3.3
317.24988	1.1
324.63141	0.9
335.25806	6.7
336.29141	2.2
353.14978	1.7
353.27011	39.0
354.27332	1.8
354.33832	2.5
373.01068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1337
Annotation	Imeluteine
Peak:m/z	Relative Intensity
53.03946	0.5
55.01863	0.7
55.05502	0.6
55.38872	0.3
55.50505	0.3
57.07063	0.5
67.05499	0.6
67.63403	0.4
69.07080	0.8
72.04498	0.4
77.03927	0.6
79.05487	20.8
80.05829	0.4
81.07053	1.3
83.08605	0.5
84.04506	0.9
85.06535	0.3
91.05460	1.1
93.07027	1.8
95.04314	0.3
95.04952	1.4
95.08605	0.7
100.11261	0.9
103.05462	44.2
104.05790	1.2
105.04525	0.5
105.07034	3.1
107.04948	22.8
107.08574	0.6
108.05300	0.7
109.10133	0.5
118.06539	13.1
119.06851	0.4
119.08616	0.4
121.06508	1.6
121.10140	0.3
123.08039	0.3
124.07598	1.2
126.09119	0.4
130.06491	0.3
131.04918	15.4
131.08516	0.3
132.05237	0.8
136.07582	0.8
136.11256	0.6
137.06018	0.4
146.05992	6.1
147.06361	0.3
148.07555	0.7
149.05981	1.1
149.13214	0.3
151.03925	0.4
152.10748	0.9
154.12228	1.3
156.13789	1.8
161.06036	0.4
163.03903	0.4
166.12286	0.7
169.06494	0.3
171.14934	0.4
172.03748	0.5
174.05487	4.0
175.07584	0.6
176.07056	1.7
178.08565	0.4
181.06442	0.5
184.13319	1.9
188.07104	0.4
201.05486	0.5
206.08112	21.6
207.08423	1.0
213.05487	0.9
219.08932	0.4
227.07082	0.8
253.08899	0.3
263.07602	0.5
266.11740	7.7
266.17508	0.5
280.18982	0.5
281.18604	1.0
294.11304	2.5
301.36597	0.3
310.23734	14.5
322.10831	2.1
337.14478	0.6
354.13336	100.0
354.26312	12.8
355.13644	7.1
355.26770	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1911
Annotation	Platyphylline N-oxide
Peak:m/z	Relative Intensity
57.03423	0.7
61.02913	0.7
67.05489	0.4
68.20329	0.3
68.41151	0.3
69.03433	1.7
69.07039	0.6
70.36712	0.6
71.04980	0.4
73.02921	2.0
77.22359	0.3
79.05464	0.9
81.03395	0.6
83.04954	0.4
85.02908	2.4
87.04468	3.3
89.03922	2.1
93.07001	1.1
95.04965	0.7
95.08593	0.5
97.02878	0.9
97.06508	0.5
99.04467	1.8
101.02331	0.6
102.12494	0.3
107.04961	0.7
109.02829	0.4
111.04422	0.4
111.08037	0.6
112.73895	0.3
113.05999	2.9
115.07539	0.7
117.03368	3.4
121.10113	1.1
127.03947	0.7
129.05504	0.4
129.09099	0.4
131.07050	1.0
133.08864	0.4
134.07196	0.4
135.04408	6.7
139.07526	0.7
139.11148	0.8
145.02838	5.0
148.11195	16.0
149.11523	0.5
156.70290	0.3
157.08600	1.9
163.03893	39.5
175.09612	1.0
175.13281	0.4
192.13815	56.8
193.14182	3.2
299.66104	0.3
354.19089	100.0
355.09592	0.6
355.13629	6.9
355.19409	7.5
364.80017	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.3
55.05515	6.2
62.06086	4.6
67.05507	5.1
69.03422	2.5
69.07083	2.7
73.71415	0.9
79.05502	7.7
81.03438	0.9
81.07053	9.3
83.04996	1.2
83.08626	2.6
91.05476	5.1
93.07048	11.3
95.04977	2.3
95.08619	3.2
97.06541	1.2
97.10150	1.3
105.07024	4.7
107.04952	1.6
107.08580	5.5
109.06519	21.1
109.07214	1.3
111.08086	100.0
112.08426	2.7
117.07045	1.6
119.08560	1.3
121.10114	4.9
126.90240	0.8
131.08601	3.7
133.10269	1.0
135.08054	4.1
143.08626	1.3
145.10130	2.4
153.09106	47.9
154.09497	2.0
157.10097	1.2
159.11694	1.0
199.03888	1.2
213.05482	1.2
216.36105	1.0
259.20517	1.2
273.18530	1.7
274.21463	1.0
276.23230	2.1
277.21506	2.1
291.19620	4.7
292.22928	1.2
294.24234	6.6
318.24295	3.4
336.25311	2.8
354.17313	14.9
354.22684	2.1
354.26804	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	354.264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13507	3.5
52.67010	3.2
55.01868	4.3
55.05497	12.2
57.03433	5.5
65.78642	3.2
65.83099	3.2
67.05503	52.7
69.03424	9.5
69.07075	11.6
71.04969	5.0
71.45751	3.3
79.05493	18.4
81.07045	57.2
83.04976	23.7
83.08603	5.1
85.06530	4.4
91.05478	40.1
93.07053	36.3
95.04973	8.8
95.08605	12.3
105.07021	46.5
107.04945	5.0
107.08593	39.1
109.06506	7.7
109.10151	53.8
119.08584	5.2
121.10146	6.4
123.11712	22.0
131.08592	7.9
133.06516	3.6
133.10120	100.0
135.08049	3.5
135.11647	4.0
135.73035	3.3
138.71536	3.8
139.07602	3.6
149.09575	5.9
151.11174	97.7
161.09598	5.8
169.60753	3.9
171.17152	3.3
177.09109	8.0
179.10703	14.8
197.15375	34.8
225.14801	6.9
263.20016	4.5
273.18582	11.7
291.19501	14.4
319.22635	10.1
354.40891	8.0
355.28244	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	354.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.01864	1.8
55.05514	9.2
57.03421	2.0
57.07077	1.2
58.32137	0.4
60.04506	0.7
62.06091	21.6
65.03926	1.5
67.05504	25.3
69.03411	1.7
69.07066	6.8
71.04979	2.1
71.21420	0.8
72.42305	0.5
73.16412	0.5
77.03918	0.6
79.05042	1.1
79.05491	17.1
81.03416	6.7
81.07056	21.7
83.04984	2.6
83.08614	3.4
85.06541	1.4
91.05479	21.5
91.06049	1.0
93.07043	16.5
94.07369	0.5
95.04956	4.6
95.08604	15.9
95.09219	0.9
97.06518	1.9
97.10149	1.8
99.08055	0.7
103.05471	1.3
105.04536	0.6
105.07030	20.7
106.07373	0.9
107.04948	2.8
107.08594	7.6
108.08084	0.7
109.06515	4.0
109.10150	7.8
111.08063	2.0
115.05468	2.3
117.07021	7.3
119.04982	0.7
119.08582	16.1
121.06514	3.0
121.10145	6.8
123.08060	3.1
123.11694	2.6
125.09625	1.7
128.06201	0.6
128.07085	0.5
129.06995	3.2
131.04926	0.9
131.08568	9.5
132.08830	0.5
133.06537	1.2
133.10118	8.2
135.08076	2.8
135.11682	2.8
136.07556	3.8
137.05974	0.8
137.09584	3.5
137.13234	0.9
141.06992	4.2
142.07774	0.7
142.12228	0.8
143.04912	1.0
143.08582	1.6
144.04440	0.7
145.02824	0.6
145.06496	1.1
145.10126	6.9
146.06004	1.4
147.04404	1.9
147.08028	1.5
147.11682	6.0
149.05991	1.0
149.09599	3.0
149.13257	1.1
151.03851	0.6
151.07538	0.7
151.11186	1.5
152.06154	0.6
153.06955	1.6
153.09135	0.6
155.08559	2.8
157.06508	1.7
157.10115	2.0
159.04408	1.9
159.11652	3.5
161.02315	0.7
161.05965	1.2
161.09622	0.9
161.13272	1.7
162.05469	0.6
162.44359	0.5
163.03889	5.2
163.07552	0.7
163.11168	2.5
163.14856	0.8
165.06979	1.1
165.12785	1.6
167.06998	0.6
169.06487	1.5
169.10114	1.3
170.11761	1.6
171.04411	2.8
171.08025	0.7
171.11705	1.5
172.03896	1.1
173.02338	1.8
173.05991	1.3
173.09550	0.8
173.13229	3.8
175.03909	1.5
175.11153	1.1
177.05499	0.6
177.12738	1.7
177.16370	0.5
178.08705	1.0
179.08612	0.6
181.06462	1.2
183.08069	1.1
183.11745	1.5
185.06013	2.6
185.13275	0.7
187.03833	2.9
187.14861	1.3
189.05515	0.8
189.12772	0.7
191.14268	1.1
193.12189	0.9
195.08052	0.7
197.05994	4.9
197.13261	2.1
199.03899	15.3
199.07401	0.5
201.05463	2.2
201.12799	0.9
201.16490	0.5
204.06555	0.9
205.06563	0.8
207.08009	1.1
211.07564	0.7
213.05440	5.2
215.03268	0.9
215.06926	0.7
215.14342	1.2
217.05006	3.0
225.05457	8.2
225.09070	0.7
227.06984	1.3
229.19501	1.5
233.15422	0.9
235.07529	0.7
237.05444	0.9
239.07045	3.2
239.10658	0.7
239.17938	1.3
247.20683	0.8
249.05385	0.6
251.07143	1.4
252.07828	0.5
253.08589	1.2
257.19083	3.2
263.06995	0.7
267.13751	6.3
273.12613	0.5
275.20068	12.0
275.22943	0.9
276.20355	1.0
277.08627	0.7
283.13434	0.7
291.13742	0.9
292.15454	1.2
293.11621	0.8
294.24432	0.6
295.09668	0.7
301.12262	1.5
309.14938	1.8
310.16379	1.3
311.12723	1.3
311.16168	0.7
319.13113	3.8
323.09171	1.7
327.15884	0.9
336.14188	1.0
336.25360	2.4
337.10416	1.1
337.14304	14.5
354.15262	3.2
354.26373	100.0
355.11536	6.5
355.15457	5.5
355.26688	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	354.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	26.7
57.02511	7.3
57.03433	9.4
57.07070	11.8
67.05516	68.5
69.03417	14.4
69.07060	15.7
72.82048	6.2
77.35091	6.5
79.05485	30.8
81.03404	9.9
81.07058	71.6
82.07417	8.3
83.04990	100.0
88.10567	6.4
89.43102	6.7
91.05490	45.5
93.07042	31.8
95.04971	8.0
95.08601	28.8
97.06546	7.0
97.10108	7.9
99.04427	8.6
99.60870	6.4
105.07023	41.2
107.08609	43.0
108.56226	6.2
109.06575	7.1
109.10146	50.7
111.08075	7.6
119.08542	8.7
123.11711	19.9
131.08542	9.4
133.10136	85.3
135.07997	9.9
149.09612	11.6
151.11194	77.1
152.11436	7.9
159.11664	8.0
161.09625	8.1
175.11189	6.8
177.09096	17.2
179.10625	14.9
197.15298	35.0
217.52917	8.5
217.88348	7.1
225.18559	11.9
231.18431	7.5
273.18494	16.3
291.19522	17.7
319.22751	14.6
329.93558	9.1
354.40677	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	354.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
55.05516	1.8
56.05029	0.7
57.07059	0.5
63.80008	0.3
67.05506	2.1
67.48315	0.3
68.04988	0.4
69.03414	0.5
69.07047	1.1
70.06570	0.6
71.05002	0.4
72.04517	0.9
74.06067	0.8
74.35881	0.3
78.71413	0.3
79.05491	2.2
80.04989	0.4
81.03418	0.3
81.07060	2.8
82.06580	1.1
83.04983	0.4
83.08630	0.8
85.02902	0.4
85.06516	0.4
87.02679	0.4
88.07607	0.5
91.05478	0.9
93.07020	1.7
94.06556	1.3
95.04944	0.5
95.07334	0.6
95.08610	2.7
96.08109	0.7
96.40449	0.3
97.06513	0.5
99.04432	0.4
100.07612	0.8
100.11266	0.8
101.69395	0.3
103.05456	1.4
105.07024	1.4
107.04967	0.8
107.08585	1.2
108.08130	1.8
109.10152	1.5
112.07608	0.9
118.06552	0.6
119.08570	1.1
121.10101	0.8
122.09704	1.8
123.08074	0.5
123.10434	0.6
124.07582	6.7
126.09136	0.7
128.10695	0.4
131.04875	0.5
133.10150	0.6
135.11623	0.4
136.11195	2.1
137.05948	0.4
137.09573	0.4
138.09135	2.2
139.09900	1.6
140.10716	0.9
142.12297	1.7
145.10036	0.4
149.09705	0.4
150.12830	0.6
152.10680	4.8
153.11464	0.8
154.12274	1.9
156.13852	1.0
160.03590	0.3
161.05931	0.8
163.03902	2.1
166.12268	6.1
167.06981	0.6
167.13029	1.3
168.13840	1.7
173.06021	0.4
175.07559	0.9
177.70651	0.3
181.06480	0.7
182.15382	0.6
184.13350	1.1
185.06058	0.4
189.05360	0.5
194.15474	0.3
195.08075	0.4
201.05411	0.6
203.07068	0.4
213.05449	0.7
215.07187	0.6
225.05498	0.6
227.07085	1.7
233.05849	0.3
236.16426	0.9
246.18564	1.2
250.18057	1.1
251.06978	0.4
256.19183	0.6
263.07111	0.4
264.19598	1.3
265.19867	0.3
266.17371	1.8
267.14322	0.4
280.19141	2.8
282.20670	0.5
292.22562	0.7
308.22089	2.5
309.14886	0.6
310.23746	100.0
311.12659	0.5
311.24063	7.3
312.25375	1.5
324.93631	0.3
337.14410	1.1
354.13809	2.1
354.26370	75.3
355.11670	1.7
355.15332	1.9
355.26718	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	355.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02383	0.4
66.66742	0.3
67.05482	0.3
70.69826	0.5
79.05500	0.8
83.04970	0.5
89.03909	4.9
95.04961	0.7
107.04939	1.8
111.04446	0.5
117.03378	8.5
131.68182	0.3
135.04416	15.1
136.04753	0.4
145.02849	11.4
146.03207	0.3
163.03899	100.0
164.04283	2.4
181.05092	0.3
193.26524	0.3
336.20740	0.3
337.09030	0.4
355.13559	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1024
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
53.82013	0.2
63.02359	0.3
65.03954	0.3
68.68844	0.2
69.21778	0.2
70.58532	0.4
74.67602	0.2
79.05499	0.8
83.04980	0.9
86.47388	0.2
89.03912	5.8
91.86629	0.2
93.03376	0.3
95.04964	0.3
107.04950	2.1
111.04402	0.3
117.03378	8.5
134.75679	0.3
135.04416	16.2
136.04759	0.3
145.02846	12.3
145.03839	0.5
163.03902	100.0
164.04242	2.4
181.05020	0.3
231.95485	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1646
Annotation	CHEBI:70510
Peak:m/z	Relative Intensity
55.05505	7.5
55.52039	1.7
57.07062	4.4
67.05515	3.9
69.05813	2.5
69.06210	8.2
69.07050	5.1
70.06584	6.5
75.29259	1.5
81.07042	4.5
83.08595	4.3
88.07630	13.0
93.07030	2.7
95.08588	3.8
102.09162	2.8
106.08661	5.6
109.10137	2.8
111.11812	1.8
117.35751	1.5
232.91472	1.6
252.32971	1.7
281.15381	2.6
295.12537	1.7
299.16302	2.0
336.32648	3.6
338.34171	4.3
354.33578	12.6
355.16422	100.0
355.34045	3.7
356.16827	6.7
356.35196	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.4
56.96571	7.8
57.07089	2.2
67.05508	17.1
68.05833	1.4
69.07083	7.7
69.07631	6.2
70.06593	16.9
71.08646	1.2
74.06098	2.0
79.05491	4.2
80.05842	1.3
81.07063	12.7
83.08625	2.2
84.08140	1.4
86.38096	1.0
88.07635	23.5
89.07980	1.8
91.05489	1.3
93.07057	2.4
95.08622	9.7
96.08910	1.2
97.10144	1.4
97.96819	1.4
98.23498	2.2
98.97550	1.1
102.09195	6.4
106.08675	9.8
107.08555	1.3
109.06583	1.0
109.10129	2.8
110.97572	5.0
123.11732	1.7
128.98605	4.6
145.10103	1.5
146.99651	3.1
159.11655	1.1
163.23941	0.9
173.13332	1.0
187.14954	1.2
195.41315	1.0
199.06393	1.2
212.20071	1.4
245.21815	1.1
252.10345	1.3
263.09528	1.5
303.13028	1.1
313.27783	1.2
315.16309	18.0
319.59445	1.2
331.15805	1.5
333.17358	29.7
336.32559	3.1
337.32813	3.0
351.18427	8.7
354.33661	100.0
355.16113	39.2
355.33978	49.3
356.18848	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	355.1729
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
56.16475	0.3
59.22783	0.3
69.07063	0.3
69.28099	1.6
79.05493	0.3
81.07044	0.5
81.40645	0.3
84.08127	0.7
91.05479	0.4
93.07039	0.3
100.11246	0.4
105.07080	0.5
105.26264	0.3
107.04950	0.4
107.08591	0.3
119.08576	0.6
121.02834	0.4
135.04442	0.5
163.03937	1.1
165.05524	0.4
167.07071	0.3
175.07610	0.3
193.16061	0.3
210.14935	0.8
219.02870	0.6
246.68539	0.3
322.09845	0.3
355.17273	100.0
356.17581	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	355.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.5
56.96554	0.9
62.98254	0.4
67.05492	2.8
68.05827	0.7
69.07088	2.2
69.07402	0.4
70.06585	2.8
71.45723	0.4
73.06560	1.0
79.05488	1.3
81.07056	3.4
83.08612	0.8
88.07630	4.3
89.07938	0.7
91.05443	0.6
93.07063	1.3
93.23344	0.5
95.08611	2.7
96.08942	0.4
102.09177	1.0
103.98494	0.6
105.07025	0.5
106.08684	2.4
107.08572	0.8
109.10172	1.0
110.97624	0.5
116.99276	0.4
119.08571	0.5
121.10147	0.7
121.86668	0.4
123.11726	0.5
133.10156	0.4
147.11751	0.4
172.70351	0.4
173.05614	0.5
245.22562	0.5
255.09749	0.6
270.08197	0.4
315.16412	1.2
333.17236	2.6
337.17419	3.5
337.32962	0.9
351.18457	0.7
354.33670	9.2
355.18576	100.0
355.33905	17.4
356.18878	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	355.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.4
57.07071	1.6
58.06581	0.7
60.81657	0.4
62.98259	1.9
67.05489	1.4
67.72100	0.4
69.07070	6.9
69.60326	1.0
70.06590	11.0
71.08626	0.8
81.07053	1.8
83.08630	3.2
83.56856	0.4
88.07630	14.3
93.07044	0.6
95.08593	1.1
97.10155	1.3
98.97544	0.4
102.09179	3.6
105.07011	0.5
106.08662	7.6
109.10142	0.8
116.99236	0.7
121.10159	0.5
125.88375	0.4
127.22337	0.4
215.14319	0.4
217.08112	2.9
231.46805	0.4
255.09860	0.7
294.31509	0.4
312.32501	0.7
314.10382	0.4
337.17505	15.0
338.17719	1.1
338.34128	5.6
354.33655	1.1
355.18552	32.5
355.33792	1.9
356.18805	2.8
356.35208	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33368	4.7
55.05508	11.0
62.06089	10.3
67.05511	12.7
69.07082	6.2
71.45587	7.3
79.05492	17.4
81.03439	6.9
81.07063	17.7
86.00170	5.5
91.05494	23.1
93.07041	13.9
95.08599	6.5
97.06538	28.7
97.10142	5.6
103.21590	5.8
105.07041	17.9
107.04955	6.8
107.08591	18.5
109.06511	6.6
109.10133	14.1
112.03734	6.5
119.08598	18.0
121.10168	5.4
133.10167	32.3
133.11108	6.6
147.08060	7.1
151.11198	16.0
156.06316	19.1
168.19910	5.0
182.68777	5.1
188.08928	100.0
221.11572	6.0
268.22446	10.5
284.20816	6.0
289.17755	6.9
311.24277	7.6
312.25064	13.1
324.57471	5.1
356.18732	6.7
356.25858	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46379	3.1
51.60281	3.3
53.03972	5.2
55.01862	13.2
55.05511	20.3
56.96569	35.6
57.03429	14.0
57.77399	3.6
67.05502	75.7
69.03434	9.0
69.07062	17.3
71.04996	9.2
79.05500	40.8
81.03428	7.8
81.07058	69.6
82.07361	6.1
83.04987	38.6
83.08618	9.7
85.06541	11.2
88.07641	4.7
91.04934	7.6
91.05476	59.1
93.07049	44.4
95.04975	27.2
95.08627	22.3
97.06536	87.6
97.96815	10.0
98.97594	5.8
99.08106	6.0
102.64359	4.1
105.07027	54.2
107.04975	9.6
107.08611	46.7
109.06528	20.9
109.10157	57.1
110.97586	15.6
111.08083	16.5
113.06033	7.7
115.97821	4.5
117.07011	6.0
119.08573	11.0
121.06479	9.6
121.10156	6.8
123.08086	8.7
123.11698	14.1
128.98593	19.1
129.07037	7.1
131.08589	14.4
133.06548	5.2
133.10132	100.0
135.08038	10.5
135.11678	3.9
145.10129	4.1
146.99655	11.1
147.08078	6.0
149.09665	10.8
151.11177	68.0
157.10156	4.1
159.08063	4.7
159.11745	5.4
161.09641	5.2
171.11600	3.9
173.09676	4.2
175.11220	5.6
177.09109	14.0
179.10667	5.5
183.13812	12.7
187.11313	3.9
191.10733	6.0
209.06981	4.1
219.13913	4.5
221.11609	5.2
243.17540	6.6
257.89651	4.0
259.12219	5.1
259.62042	3.7
261.18405	7.8
271.16980	4.9
275.25943	3.7
289.18042	25.0
297.24146	3.9
307.19095	6.5
310.96255	3.6
315.16275	57.6
321.20627	13.9
333.17337	95.7
334.17691	9.3
351.18350	21.8
356.19464	20.8
356.34216	24.8
357.19992	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	356.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03214	2.9
55.50291	2.8
57.89246	2.4
59.79776	3.0
62.06087	5.2
62.98232	3.2
66.06847	2.5
66.52560	2.6
69.57077	4.9
69.57440	9.2
72.07938	3.4
79.05478	3.7
81.07074	4.3
91.05500	3.2
93.07071	5.0
98.23444	5.5
104.44802	2.7
109.10117	3.3
114.58531	2.7
156.06335	4.0
188.08978	33.8
206.46799	2.7
258.11557	10.1
284.20584	3.9
312.24863	3.1
320.25772	6.9
333.19193	4.0
338.17801	20.5
356.18884	100.0
356.25302	22.0
357.19357	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	356.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96671	1.9
54.89475	1.9
55.01868	6.3
55.05510	51.6
57.03417	3.9
67.05504	27.7
67.62463	2.1
69.03413	5.5
69.07068	28.7
69.19168	7.8
69.19573	4.9
70.06605	2.6
77.00906	3.5
77.72187	2.1
79.05492	40.4
81.07056	26.4
83.04971	5.3
83.08623	29.7
84.74906	2.2
85.06526	2.2
87.20012	2.1
91.05482	20.9
93.07043	27.3
95.04965	4.2
95.08588	12.1
97.06544	11.3
97.10166	66.3
105.07038	24.6
107.04954	5.7
107.08594	100.0
108.08926	2.8
109.10149	9.0
111.08093	6.3
117.07018	9.8
119.08569	13.1
121.06527	2.9
121.10123	5.9
123.11711	2.7
125.09635	69.7
131.08572	7.3
133.10129	14.5
135.08063	20.5
135.11670	5.8
137.09648	2.1
137.13243	2.3
143.10728	2.8
145.10104	15.9
147.11679	10.7
149.09622	9.8
153.09094	20.1
159.11627	12.3
161.13252	8.0
163.11160	4.0
168.74452	2.0
171.10194	3.2
171.11638	4.5
171.13797	10.5
173.13266	3.8
175.14812	2.8
181.12212	4.0
185.13232	5.2
199.13216	2.9
201.09708	3.7
203.14337	5.7
217.14351	84.8
219.17398	2.9
227.11304	4.3
229.19545	2.7
236.27672	2.5
239.17984	5.2
249.18394	2.1
257.18991	16.3
275.20068	65.6
276.20288	5.3
303.23209	22.0
310.25085	2.0
315.18216	13.4
321.24277	14.9
333.19101	37.8
334.19293	5.1
351.20209	24.9
352.20563	3.2
356.20773	7.3
356.35104	12.5
357.20547	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	356.3525
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
55.05515	9.2
57.07080	1.9
58.06595	0.6
62.06090	0.6
67.05502	0.6
68.05021	0.4
69.06715	0.4
69.07073	7.9
69.61092	0.3
69.67088	0.8
69.67480	0.6
70.06596	13.6
70.46500	0.3
71.08607	0.7
74.06075	0.3
83.08625	3.7
85.10185	0.3
86.06049	0.3
88.07633	16.0
95.08582	0.4
97.10196	1.7
98.23376	0.6
99.07735	0.3
102.09179	4.2
105.84395	0.3
106.08673	8.7
113.13457	0.3
129.32414	0.3
202.78772	0.3
220.00269	0.3
294.31415	0.4
310.31207	0.3
312.32568	0.9
338.34171	5.3
356.35233	100.0
357.35574	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	357.1335
Annotation	Pluviatolide
Peak:m/z	Relative Intensity
53.03941	0.4
55.01862	0.6
55.05490	0.3
64.87901	0.3
67.05512	0.7
69.03411	0.8
69.07058	0.5
70.06594	2.7
71.06901	0.3
71.45610	0.4
77.03917	0.5
79.05493	1.7
81.03402	0.7
81.07046	1.0
85.02907	0.7
85.06570	0.4
86.09709	1.3
89.03947	0.3
91.05470	1.7
93.07040	0.7
94.04177	1.9
95.04467	0.5
95.04967	3.3
95.08593	0.6
95.82114	0.3
97.02878	0.5
97.06567	0.4
103.05473	0.9
105.07014	0.8
106.04221	0.3
107.04957	3.5
107.08573	0.4
108.02099	0.4
109.02860	1.2
109.06504	0.6
109.10170	0.3
111.04398	0.4
113.54914	0.3
115.05464	1.7
117.07031	1.1
119.04914	0.5
121.06487	1.0
122.03648	6.4
123.04456	0.5
125.02363	0.8
127.03938	0.4
129.06987	0.7
130.06523	3.9
131.04926	1.3
133.03101	0.7
133.06479	0.5
135.04436	1.4
137.05974	100.0
138.06305	2.8
143.04927	6.6
145.06490	0.8
147.04471	0.3
149.06001	1.3
151.03909	16.5
151.05005	1.2
151.07469	0.4
152.04198	0.5
153.05458	1.0
159.72641	0.3
160.05205	0.4
161.05933	1.0
162.06755	0.6
163.07581	0.3
165.05498	1.6
167.07037	1.6
171.04321	0.4
172.03970	0.6
173.06015	0.3
175.07587	3.0
175.11067	0.4
176.03421	0.4
177.05490	1.6
177.09102	0.6
179.08501	0.3
181.05035	0.8
184.15285	0.4
185.05940	0.4
191.07001	0.5
194.07242	0.5
195.06511	1.3
203.07010	2.6
204.06610	1.1
205.08557	2.5
207.08128	0.4
209.08073	0.3
210.06729	0.5
213.05441	0.4
215.07066	0.5
219.08124	0.9
220.31012	0.3
221.06003	0.6
222.06741	0.3
225.09027	0.6
233.08037	0.4
235.07578	0.6
236.08276	0.6
247.07605	0.8
251.06897	0.5
251.10884	0.5
252.07800	0.5
253.08556	0.8
255.12263	0.3
263.06769	0.4
264.07880	0.5
265.08563	0.6
267.10068	0.4
269.07968	0.3
279.06793	0.4
279.10095	1.2
281.08133	0.9
283.09918	0.5
293.08063	0.5
295.09674	0.6
297.10986	1.0
299.12729	0.3
303.23441	0.5
307.09589	1.0
309.11154	0.6
313.10666	0.6
321.11130	1.1
325.06949	0.5
325.10602	3.9
326.11191	0.4
327.12253	13.4
328.12769	1.0
329.13757	0.9
339.12280	1.2
357.13300	29.6
357.18744	19.0
358.13547	2.5
358.19299	1.2
378.71973	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1333
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
51.02383	0.7
56.18916	0.7
60.38230	0.6
65.03936	1.4
79.05497	2.2
81.03407	1.6
81.07055	2.1
88.14957	0.8
89.03941	0.8
91.05483	2.3
93.07053	0.9
94.04188	3.3
95.04970	1.7
102.04700	2.3
103.05451	6.3
105.07040	1.8
107.04929	2.6
109.02936	0.9
109.06500	3.1
115.05470	2.4
117.03362	1.1
117.07017	3.7
119.04959	1.4
121.06556	0.8
122.03643	8.8
128.06216	4.2
129.07001	12.9
130.04170	4.4
131.04930	13.2
131.08568	1.3
133.06487	1.2
133.10182	0.9
137.05974	100.0
138.06348	2.1
143.04880	1.4
144.05634	1.2
145.02803	1.3
145.06480	6.4
146.03618	2.7
147.04413	5.8
149.05989	2.8
151.03944	4.2
151.07544	0.9
155.06104	1.2
157.06468	8.3
158.07295	2.5
159.04420	1.4
160.05188	3.5
161.05966	7.5
161.09732	0.8
162.06747	14.3
163.07565	5.7
165.05476	4.6
167.07022	1.3
172.05203	1.6
173.05966	1.9
174.06764	12.1
175.07545	17.9
177.05484	3.0
177.09132	2.0
181.05020	3.6
187.07558	7.4
189.05510	4.7
189.09096	21.3
190.06210	1.4
190.07796	1.1
191.07004	0.8
191.08542	2.9
203.06967	1.9
204.06474	1.4
205.08598	31.7
207.07985	1.3
215.06926	3.8
218.07324	2.5
219.08075	6.3
221.06227	0.9
227.07091	1.2
231.07985	1.2
233.08002	22.5
235.07487	2.3
236.08153	1.2
246.06827	1.5
247.07626	4.5
249.09103	1.1
251.10780	1.3
261.09097	3.8
263.06866	1.9
264.07697	2.0
267.10284	1.4
275.07056	1.1
277.08606	1.8
278.09286	1.6
279.10126	3.5
289.08496	2.4
291.06393	1.1
291.09610	0.7
293.08292	0.8
293.11627	3.4
295.09766	1.2
306.08862	3.0
307.09662	7.8
311.12921	1.1
321.11194	5.5
324.09814	0.8
327.12305	2.5
339.12277	9.8
357.13333	22.1
357.17749	1.8
358.13596	1.5
358.21765	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.7
55.01856	1.7
65.03913	1.3
67.05491	1.3
69.03426	3.3
69.07067	1.0
69.10458	2.8
70.06590	2.3
71.04975	0.5
71.06921	0.8
73.39529	0.5
77.03933	0.7
78.84682	0.5
79.05508	3.6
81.03411	1.6
81.07050	2.0
83.04945	0.5
85.02890	2.1
86.09711	1.2
91.05479	3.7
93.07024	1.8
94.04171	2.1
95.04967	9.5
95.08623	1.1
97.02872	1.5
103.05444	2.0
105.03396	0.6
105.04490	0.7
105.07009	2.3
107.04948	7.9
107.08576	0.9
108.09080	0.5
109.02875	3.0
109.06490	1.6
111.04430	0.7
114.72384	0.5
115.05458	2.5
117.07013	2.2
119.04966	0.7
121.02856	0.9
121.06489	3.3
121.10150	1.2
122.03649	6.9
123.04426	1.9
125.02332	3.0
125.05962	0.9
127.03886	0.8
130.06525	2.8
131.04926	1.7
133.03076	1.1
133.06490	1.7
134.03603	0.7
135.04405	2.7
137.05971	95.3
138.06285	3.1
139.07506	0.7
143.04929	6.9
145.06491	1.1
147.04396	0.8
147.07997	0.8
149.05948	3.5
149.13298	0.8
151.03905	23.0
151.05002	1.2
151.07587	0.7
152.04240	0.7
153.05489	1.5
153.06923	0.6
154.06311	0.5
159.08131	0.8
159.11739	1.0
160.05159	0.8
161.05980	2.2
162.06721	0.8
163.07585	0.8
165.05484	2.6
165.06981	1.6
167.07054	4.0
171.04370	1.2
172.03903	2.5
172.05173	0.6
175.07520	3.7
177.05499	4.5
177.09055	1.6
179.08569	0.7
181.04982	2.4
181.06442	1.2
182.07280	0.6
184.15337	1.0
185.05983	0.8
189.09167	0.7
190.07719	1.1
191.07045	0.9
191.08592	1.1
194.07158	0.7
195.06499	4.8
195.08043	1.0
195.13821	0.6
197.05974	0.8
203.06978	4.2
204.06595	3.4
205.06740	0.9
205.08543	3.1
207.08084	1.0
210.06747	1.8
211.07497	0.9
215.06993	0.7
218.07281	0.9
219.08025	2.3
221.06015	1.8
222.06583	0.8
223.07458	1.1
224.08398	1.3
225.09152	1.9
226.06285	0.8
231.08171	0.6
234.06775	0.6
235.07524	2.2
236.08278	1.9
237.05511	0.8
237.09016	1.3
238.06265	2.2
239.07091	1.1
247.07579	2.2
249.09071	1.8
250.55122	0.5
251.07019	2.1
251.10678	1.1
252.07811	2.4
253.08502	2.7
255.06290	0.7
258.64352	0.5
261.09100	1.1
263.06958	1.3
264.07852	1.5
265.08441	1.5
266.05499	0.8
266.09213	0.6
267.10019	1.2
268.07388	0.7
268.10815	0.8
269.08173	0.6
275.06897	0.9
277.08545	1.7
278.09637	0.7
279.06595	1.8
279.10162	2.8
280.07504	0.8
281.08109	5.1
282.09000	0.6
289.08725	0.7
293.07947	1.1
295.09729	1.0
297.11276	3.0
298.08475	0.6
301.10809	0.6
307.09589	2.5
308.09964	0.8
309.11172	1.0
311.09323	1.3
311.12744	2.3
313.10776	1.4
321.10999	0.8
325.07089	1.1
325.10623	16.1
326.11136	2.3
327.12231	12.3
328.12534	1.2
329.13821	2.2
339.12170	2.7
357.13354	40.2
357.18796	100.0
358.13919	4.4
358.18951	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	357.2013
Annotation	(3R)-methylthiofentanyl
Peak:m/z	Relative Intensity
56.56416	0.4
62.98263	0.6
69.07061	0.5
69.51345	1.5
79.05507	0.6
81.07059	0.5
84.08144	1.2
86.09719	0.4
93.07024	0.6
97.06495	0.6
98.23479	0.8
102.33175	0.5
105.07056	0.5
107.08592	0.6
108.08917	0.5
141.89323	0.4
159.07607	0.6
217.08102	0.8
243.09682	4.6
257.11203	4.0
273.10660	0.9
285.37039	0.4
304.23669	0.7
311.04019	0.5
339.19211	1.9
348.40747	0.4
357.20117	100.0
358.20438	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	357.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.8
57.70419	0.6
58.49159	0.4
67.05502	0.6
69.54205	2.0
79.05480	1.0
81.07053	1.1
87.64758	0.5
91.05489	1.1
93.07032	1.5
95.04967	0.7
95.08604	1.0
98.97654	0.7
105.07023	1.0
108.60097	0.5
109.10148	0.6
111.08095	0.5
119.08587	1.2
121.10130	0.5
131.08539	0.7
133.10130	1.2
185.09105	0.9
188.15234	0.6
215.84508	0.5
217.08118	8.3
231.09792	0.8
235.16135	0.5
243.09726	3.8
257.11224	7.0
269.48618	0.5
273.10730	0.7
307.19061	0.6
316.16888	0.5
316.62228	0.5
357.20114	100.0
358.20459	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	358.165
Annotation	(-)-Stephabinamine
Peak:m/z	Relative Intensity
51.02385	0.5
53.03942	0.6
67.13087	0.3
69.03427	0.4
69.14883	2.0
72.08137	2.6
77.03918	0.6
79.05490	23.2
80.05811	0.6
81.07043	0.4
85.02905	0.3
86.09705	5.0
91.05466	1.2
93.07045	2.1
95.04969	2.0
98.23431	0.6
103.05462	52.2
104.05790	1.6
105.04461	0.5
105.07016	3.5
107.04950	26.8
108.05273	0.7
118.06523	1.7
121.06496	1.4
127.03907	2.2
131.04926	19.8
132.05217	0.5
137.05952	2.0
138.06270	1.1
146.06001	9.2
146.07153	0.5
146.11760	0.8
149.05980	1.7
151.03893	2.2
152.04248	0.9
153.05431	0.4
178.08623	32.0
179.08968	1.1
180.06476	0.4
180.10155	0.7
185.16457	2.7
197.08092	1.3
210.11244	20.0
211.11530	1.3
213.15913	0.7
222.71753	0.3
235.08359	0.6
258.09808	0.4
259.20114	0.4
313.13861	0.4
322.11548	0.5
326.13901	10.0
327.14316	0.8
328.12027	0.3
340.12915	0.6
358.16461	100.0
359.16885	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	358.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36700	3.7
55.01878	4.5
55.05511	23.3
57.03424	4.5
57.07087	4.0
67.05502	90.2
69.03427	5.2
69.07059	13.4
69.55155	17.3
71.04981	38.7
79.05505	25.9
81.07056	54.9
83.04985	10.7
83.08630	13.0
85.06537	7.4
87.04481	9.4
91.05479	55.7
93.07040	47.2
95.04977	12.0
95.08603	50.8
97.06551	5.4
105.07017	31.6
107.08569	22.4
109.06506	8.8
109.10159	83.3
111.08100	15.7
113.06039	4.5
117.07018	8.5
119.08568	42.0
121.10168	12.1
123.08104	11.2
123.11732	5.0
125.09572	4.5
128.06212	4.4
129.07072	4.1
131.08569	8.9
133.10132	72.5
135.08037	8.5
135.11685	7.7
137.05978	8.7
137.09602	44.3
139.07564	8.2
143.08543	4.1
149.09598	6.8
151.11183	26.8
155.10660	29.5
161.09602	23.6
169.12245	10.6
173.11725	100.0
175.11147	5.0
179.10649	44.5
180.10982	3.8
187.13289	29.5
193.12210	4.5
197.08072	4.2
211.08746	4.0
211.13368	12.2
223.13298	5.5
225.14853	4.0
273.18500	19.4
277.17993	9.5
291.19461	29.2
309.20679	9.7
313.92267	5.5
317.17944	6.9
335.19107	29.1
358.20416	9.0
358.29071	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	358.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.2
55.01874	2.9
55.05508	14.2
57.03435	10.4
58.39700	1.8
58.54714	1.8
59.04988	2.4
60.18063	1.6
65.03956	2.6
67.05157	3.1
67.05506	38.1
69.03422	3.6
69.07069	43.0
71.04996	19.3
73.02920	3.9
78.09083	1.8
79.05495	43.2
81.03425	10.9
81.07058	42.0
83.04988	5.9
83.08613	6.7
85.06531	4.1
85.73985	1.7
91.05485	23.9
93.07052	33.5
95.04971	20.2
95.08607	17.4
96.68532	1.8
97.06532	100.0
98.06853	2.0
99.08092	5.5
105.07022	25.1
107.04952	6.9
107.08578	21.0
109.06537	11.1
109.10169	13.0
111.08108	5.4
115.07574	29.5
117.07009	13.3
119.08598	12.7
121.06489	5.9
121.10161	11.4
123.08059	5.8
123.11744	4.0
127.03888	2.1
129.07018	7.5
131.08559	14.9
133.06480	2.5
133.10109	22.4
135.08031	8.7
135.11687	8.0
137.09615	4.6
143.08559	6.1
145.10118	11.9
147.08057	3.2
147.11639	2.9
149.09657	2.5
149.13274	6.1
151.11189	12.4
155.08601	2.3
157.10123	5.8
159.11687	11.1
161.09601	4.3
161.13231	3.8
163.11200	3.1
169.10156	2.7
171.11661	6.9
173.13303	4.4
175.11206	3.4
177.12759	6.1
180.75047	1.8
181.12187	2.8
185.13281	3.4
195.13841	4.8
201.12698	2.3
205.12126	2.5
210.60201	2.0
217.15839	2.9
219.13913	2.2
221.15414	3.1
223.13232	3.4
233.15477	2.9
237.14777	3.1
250.52840	2.0
255.17465	2.5
273.18594	10.4
291.19623	5.4
305.21088	4.5
358.19601	3.5
358.23584	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58591	3.7
55.01873	7.6
55.05502	16.9
57.03429	5.1
59.04981	4.3
67.05505	79.1
69.03426	4.4
69.07061	13.3
71.04997	49.4
71.21230	3.5
71.85946	3.1
79.05492	14.3
81.07062	41.1
83.04976	7.9
83.08601	12.8
85.06568	7.3
87.04469	8.4
90.91115	3.4
91.04941	5.1
91.05482	61.0
91.06043	3.6
93.07051	40.0
95.04926	16.8
95.08604	52.1
97.02901	4.1
97.06523	7.8
105.07009	26.8
107.04949	6.0
107.08608	15.8
109.06506	3.9
109.10160	85.6
111.08063	10.4
111.51578	4.1
113.06046	3.8
117.07028	9.6
119.08569	37.7
121.06496	6.1
121.10098	7.4
125.09584	4.9
128.06238	4.0
131.08560	8.6
133.10127	79.1
134.10480	3.5
135.08063	11.4
135.11667	5.7
137.09615	49.4
139.07623	7.4
143.08615	7.9
147.11740	4.7
151.11151	35.4
155.10628	27.5
161.09662	21.8
169.12283	10.1
173.11743	100.0
175.11221	4.5
178.09395	3.9
179.10664	42.3
183.13812	7.1
187.13319	22.1
211.13283	11.7
245.19179	4.4
273.18533	24.1
286.04675	3.4
291.19537	34.6
309.20581	13.3
358.20422	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	358.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.6
57.03434	14.7
60.27384	8.4
67.05492	39.6
69.07056	58.0
70.12984	29.3
71.04990	18.6
72.74521	10.3
77.63139	9.0
79.05488	37.8
79.21049	8.4
81.03413	12.7
81.07056	34.1
81.93756	8.5
83.04990	16.0
91.05467	35.9
93.07052	40.7
95.04981	21.5
95.08625	20.7
97.06525	100.0
105.07038	35.2
107.08629	17.0
109.10118	13.0
113.06043	12.3
115.07580	61.2
119.08591	22.0
121.06445	11.1
121.10136	14.4
127.03905	10.3
131.08556	13.4
133.10161	16.8
137.63828	9.8
145.10117	14.1
176.63289	10.0
177.12746	12.5
263.20172	11.9
273.18427	12.4
281.78271	10.0
291.19598	25.5
305.17548	29.5
309.75238	9.5
371.83078	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	358.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	27.7
57.03429	11.1
60.10986	4.3
65.03930	4.9
67.05505	100.0
68.37550	4.2
69.06762	3.8
69.07069	31.7
69.78539	8.7
69.78903	9.2
71.05000	44.2
76.15395	3.9
79.05483	37.3
81.03422	9.4
81.07058	37.7
83.04961	8.9
83.08604	8.1
91.05457	32.2
93.07040	43.0
95.04975	48.5
95.08607	41.3
97.06522	12.0
97.10167	9.4
99.08089	92.9
105.07037	23.0
107.04991	5.7
107.08595	32.6
109.06499	25.5
109.10104	7.5
117.07071	6.4
119.08572	27.5
121.06496	9.3
121.10151	27.9
123.08062	18.0
125.09624	7.4
127.07541	14.9
131.08557	20.1
133.06444	5.1
133.10155	15.9
135.08052	12.5
135.11674	9.2
137.09621	4.7
143.08549	10.9
145.10139	30.0
146.95946	4.5
147.08049	50.6
147.11703	13.6
149.09627	6.8
153.09094	7.6
157.10106	12.7
159.11687	8.5
161.09685	10.9
161.13309	6.4
163.11172	49.0
171.11636	7.3
173.11771	5.1
175.11226	6.4
213.16299	6.5
217.15825	5.4
227.17958	5.2
228.72031	4.8
245.18977	11.8
255.17448	16.2
263.20096	15.3
273.18463	75.3
291.19543	94.3
292.19931	7.5
305.21112	41.8
323.22128	11.1
358.23785	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	358.259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39850	2.4
53.03936	3.7
55.01868	3.0
55.05511	24.3
56.85733	2.5
57.03435	6.3
57.07071	9.4
62.98267	14.5
63.84333	2.8
67.05505	36.2
69.03428	3.2
69.07068	28.0
69.35912	9.4
69.36328	5.1
70.06599	13.0
70.07396	4.8
71.01355	4.7
71.05000	4.1
71.06938	4.0
71.08625	6.4
73.02915	3.1
76.33644	2.8
79.05489	28.7
81.03429	10.5
81.07056	55.9
83.04976	9.3
83.08617	9.6
87.04459	5.9
88.07629	24.5
89.07975	4.8
91.05477	29.2
93.07045	25.6
95.04990	13.6
95.08598	24.1
97.06534	10.1
97.10175	6.4
98.23376	6.1
99.08070	3.1
102.09193	4.7
105.07013	24.1
106.08691	9.9
107.04984	3.3
107.08611	11.2
109.06514	5.9
109.10173	8.9
113.05937	3.5
117.07023	8.0
119.08604	12.5
119.64291	2.8
119.81134	2.8
121.10137	13.2
123.08118	5.8
123.11700	5.7
129.06990	4.7
131.08568	11.5
133.10110	14.7
135.08107	3.2
135.11720	7.2
137.09657	3.5
145.10155	6.2
147.11655	13.5
149.09650	3.4
157.10139	4.1
159.11758	3.2
161.13293	4.5
165.12775	8.9
171.11754	4.6
187.14897	3.3
243.63342	3.2
275.20151	11.8
289.21527	4.0
317.19556	20.4
335.20792	17.0
339.34726	3.8
340.35016	5.2
349.49686	2.8
353.21899	6.4
357.35574	52.0
358.20447	24.3
358.36166	100.0
359.22107	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	358.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.7
53.09816	2.7
55.01864	7.0
55.05510	34.7
57.03432	14.4
57.07071	7.8
62.98254	10.7
65.03936	3.1
67.05504	55.8
69.03445	3.8
69.07067	32.4
70.06596	15.6
70.52585	6.1
71.01345	10.4
71.04984	7.5
71.08630	4.6
77.00925	2.9
79.05489	50.9
81.03417	24.5
81.07059	61.9
83.04992	13.5
83.08627	13.2
85.06566	4.2
87.04449	4.0
88.07629	18.7
89.07967	6.1
91.05475	43.9
93.07042	35.0
95.04951	20.4
95.08613	34.6
97.06505	7.0
97.10175	5.9
102.09150	4.7
105.07026	31.5
106.08679	12.8
107.04961	9.0
107.08582	19.3
109.06526	8.6
109.10191	15.3
111.08133	3.9
117.07022	8.7
119.08577	30.8
121.06561	2.7
121.10131	15.9
123.08083	11.1
123.11726	9.7
129.06996	7.4
129.09152	3.2
131.08604	12.7
133.10100	17.6
135.08090	5.3
135.11716	11.1
137.09648	4.3
143.08562	4.9
145.10129	7.7
147.11725	12.5
149.09651	6.5
157.10149	5.7
159.11693	4.8
165.12796	4.8
175.11310	4.0
181.12271	3.3
184.65401	3.0
195.62825	3.1
240.17017	3.1
256.26303	3.2
275.20096	10.7
296.33084	4.7
307.22879	4.2
317.19598	11.8
335.20682	12.8
340.34766	7.7
353.21701	7.1
357.35596	53.2
358.20374	25.7
358.36151	100.0
359.09454	5.4
359.22366	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	358.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07898	0.8
55.05511	3.0
57.03412	0.9
57.07078	7.3
67.05503	4.8
69.03436	0.9
69.07075	2.9
69.23985	4.5
70.06592	11.9
71.04978	1.3
71.08632	4.8
71.93230	0.7
79.05506	3.8
81.07047	6.7
83.08623	2.9
85.10184	1.7
87.04465	1.3
88.07633	17.1
91.05478	5.2
93.07034	6.8
95.04980	2.4
95.08607	4.2
97.06515	0.9
99.08076	2.3
102.09200	4.2
105.07054	2.7
106.08665	9.1
107.08594	3.2
109.10165	1.6
111.08113	0.8
119.08588	2.5
121.10134	2.7
125.09615	1.0
131.08549	1.6
133.10136	2.2
135.11665	1.3
139.11206	2.5
140.14984	0.7
145.10120	0.9
147.11662	1.6
149.13347	1.3
151.11200	0.9
157.10213	1.0
159.11740	1.3
161.13261	1.9
163.11247	1.1
171.11713	0.9
175.14922	0.8
195.13817	1.3
213.25699	0.9
217.19563	0.9
241.19524	0.9
259.20416	1.3
259.73172	0.8
261.00711	0.8
270.58850	0.9
277.21780	4.7
295.19431	0.8
305.24774	2.2
316.07492	2.0
327.06439	1.0
332.83084	0.9
334.02582	0.9
340.35687	6.8
344.06741	1.9
358.18381	1.3
358.36768	100.0
359.09009	6.3
359.21771	2.3
359.25674	1.0
359.37112	6.6
374.88928	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57948	1.9
55.24244	1.9
55.64658	2.2
56.96561	10.8
58.35712	2.1
70.10580	4.5
98.97581	72.8
116.98627	39.3
119.01903	4.2
134.99677	10.2
172.94362	2.2
174.97667	15.7
177.00903	8.5
178.00986	2.2
179.00758	5.7
180.00629	2.4
190.59789	2.1
190.95468	3.3
192.98709	11.0
195.43050	2.6
198.97672	4.5
210.69208	2.2
214.95580	9.3
216.98715	48.5
219.02005	7.7
220.02216	3.5
221.01840	5.4
232.96603	20.8
233.03462	2.4
234.99756	65.5
235.99881	4.1
237.97098	3.1
238.95631	12.6
240.98686	2.6
245.01788	2.4
250.93710	2.8
250.97681	9.3
251.59991	2.3
255.98262	8.5
256.96625	66.2
257.96780	2.9
258.99850	19.3
260.00049	3.1
261.00104	5.0
261.03122	10.8
261.97119	4.6
262.03238	6.9
263.03009	15.2
264.03122	4.8
268.94897	2.1
272.94473	3.4
274.97693	51.4
275.97757	4.3
277.00876	19.2
279.00769	4.0
279.98169	17.7
280.93643	2.3
280.96689	5.3
284.99857	7.3
292.94928	3.4
292.98795	5.9
293.95810	4.3
298.97772	67.1
299.97791	9.3
303.00858	13.3
304.01007	3.1
316.95013	25.0
316.98804	94.0
317.02069	4.6
317.95471	3.7
317.99020	11.8
334.96045	20.8
336.92212	7.3
340.00476	3.1
340.98782	51.0
341.98972	6.4
358.99866	100.0
359.03452	7.1
360.00150	14.7
360.04077	2.8
376.96970	3.8
377.00967	6.9
382.01556	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	359.1335
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
53.03932	1.8
55.01862	1.3
55.05506	1.9
67.05502	1.6
69.51143	3.5
71.04997	5.3
77.03949	1.1
77.51228	0.8
79.05489	3.6
81.03439	1.1
81.07059	5.2
83.04978	1.8
85.02910	5.0
91.05476	1.3
91.41458	0.8
93.07034	2.0
95.04974	9.2
95.08600	4.2
97.02885	10.1
98.22661	1.9
99.04478	4.6
105.07018	4.4
107.04946	1.6
109.02871	1.3
109.06494	1.9
110.60714	0.8
111.04457	1.8
111.08087	15.6
121.73163	0.9
123.04396	2.5
123.08050	3.3
127.03911	100.0
128.04230	1.2
133.06491	2.9
151.03902	3.8
151.07513	6.3
161.05896	1.3
169.08591	1.2
179.07021	12.7
197.08084	64.9
198.08437	1.0
302.09982	1.0
331.09879	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1336
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
53.03945	1.0
55.01876	1.3
55.05513	0.8
55.71501	0.4
61.02944	0.5
65.40679	0.4
67.05507	1.8
69.03428	1.3
70.11484	1.2
71.04994	4.5
71.05376	0.6
77.03950	0.6
79.05497	3.3
81.03438	1.1
81.07069	3.6
83.04971	0.9
85.02907	5.3
91.05498	1.4
93.07048	1.6
95.04975	7.1
95.08612	4.1
97.02892	8.9
99.04458	4.9
102.41225	0.5
103.05490	0.5
104.54334	0.4
105.04521	0.5
105.06390	0.6
105.07011	3.8
107.04964	1.7
107.08562	0.9
109.02921	2.4
109.06542	4.6
111.04466	0.9
111.08074	15.7
123.04432	2.4
123.08080	3.2
125.06049	0.8
127.03914	100.0
128.04254	2.1
133.06461	2.6
137.05966	1.0
149.02345	1.1
151.03918	3.0
151.07555	5.5
153.05466	1.8
161.05989	1.5
165.69746	0.4
169.04926	0.6
169.08569	0.9
179.07037	13.8
197.08086	74.5
198.08473	3.0
245.46962	0.5
247.54411	0.5
284.15305	0.4
301.89450	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1341
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
53.03938	2.3
55.01862	1.3
55.05516	2.1
57.03435	2.2
65.03928	1.2
67.05500	2.8
69.03429	2.8
69.22887	4.0
69.23286	1.1
71.05002	4.9
79.05502	4.8
81.03408	1.5
81.07065	6.4
83.04981	1.6
85.02913	6.8
85.06541	1.1
86.09670	1.1
91.05498	3.0
93.07030	2.5
95.04954	9.0
95.08613	5.9
97.02901	10.1
98.23454	1.6
99.04474	4.6
105.07043	5.5
107.04948	1.8
107.08580	1.1
109.02870	3.4
109.06533	4.8
109.10162	0.9
111.04462	1.2
111.08083	15.9
115.05507	1.1
119.04998	0.9
121.06519	1.4
123.04436	3.6
123.08103	3.7
125.06014	2.6
127.03916	100.0
128.04251	1.8
128.80009	0.9
131.04945	1.6
133.06482	3.8
135.04454	1.3
135.08107	1.0
135.11674	1.0
137.06009	2.2
145.04933	1.6
151.03925	3.7
151.07594	5.0
151.11264	1.0
152.08325	1.7
153.05470	3.2
161.05986	1.8
167.07071	1.1
169.05009	1.6
169.08620	1.4
179.07047	15.2
179.41711	0.9
181.04974	1.4
183.08072	0.9
197.08087	75.9
198.08461	2.7
210.06822	1.7
212.08228	0.9
225.09030	1.6
237.09250	1.2
238.10011	1.0
240.07898	0.8
241.08452	0.8
251.07214	0.9
253.08598	3.1
257.08212	1.4
281.08316	1.3
281.11642	1.9
283.09601	2.4
299.12772	1.0
300.09903	1.4
313.10498	5.1
313.14172	2.0
327.12363	5.6
331.15149	0.9
341.13934	2.6
359.10110	1.5
359.14340	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	359.149
Annotation	Negundin B
Peak:m/z	Relative Intensity
51.02399	1.2
55.01865	3.5
55.05497	2.0
57.03438	3.2
65.03937	7.6
67.01865	1.5
67.05498	4.6
69.03413	4.9
71.04977	2.2
72.16071	1.4
75.04390	1.2
79.05485	4.3
81.03412	2.1
81.07038	3.6
82.04170	1.8
83.04983	1.8
85.02887	8.0
86.09669	1.8
91.05470	5.5
93.03397	3.0
93.07029	2.5
93.25684	1.2
93.77110	1.6
95.04973	8.6
95.08604	2.6
97.02870	3.5
97.06526	1.6
103.05442	1.7
105.07037	2.2
107.04933	8.6
107.08571	2.6
109.02893	2.1
109.06526	1.7
109.10123	2.0
110.03645	5.5
111.04451	10.2
111.08095	2.1
115.05490	1.5
119.08562	2.0
121.02863	22.7
121.03830	2.0
121.06525	2.0
123.04440	2.0
123.08026	1.5
125.06010	9.9
127.03913	15.1
128.06161	1.9
129.07013	1.3
131.04939	4.8
131.08514	1.5
135.04427	1.7
135.08015	3.7
137.05981	5.9
137.09634	1.6
139.03868	1.9
144.05684	3.0
145.04941	4.7
145.06465	3.0
147.04414	2.3
149.02319	8.3
149.06007	2.4
151.03856	3.3
151.07538	2.4
153.05458	12.6
153.06783	2.3
154.07716	1.9
155.08514	1.5
158.07289	1.3
159.08022	4.4
161.05910	4.1
161.09592	5.8
162.06689	2.8
163.06033	1.6
163.07513	1.9
165.06953	6.9
166.07683	1.6
167.07047	6.1
167.08412	2.5
169.06441	3.0
171.06561	1.4
175.07526	2.1
177.05423	1.8
177.06952	1.4
178.07729	3.6
179.07043	3.0
179.08537	3.5
181.04936	16.7
181.06491	6.7
182.05261	1.3
182.07240	3.8
183.08018	4.3
184.05161	2.1
188.08203	1.8
193.06459	1.9
194.07289	4.3
195.08035	12.0
196.08836	1.4
197.05969	7.5
197.08051	8.7
197.09521	2.4
199.07501	1.7
203.08461	2.0
205.06624	1.7
206.07315	3.3
207.08083	3.9
209.05998	3.7
209.09547	3.1
210.06711	11.2
210.10255	2.1
211.07565	9.1
212.08253	6.3
213.09077	2.0
219.08061	3.5
220.08588	3.2
221.05986	3.4
221.09587	11.3
222.06737	3.5
222.10265	3.5
223.07523	17.0
223.11044	2.5
224.08211	5.3
225.05432	2.3
225.09094	10.0
226.06075	1.8
227.07095	10.8
227.10651	3.5
234.06892	3.9
235.07541	4.4
235.10922	1.5
236.08281	3.2
237.05408	3.3
237.09106	11.6
238.06218	7.7
238.09814	10.5
239.07034	13.3
239.10643	3.4
240.07790	25.1
241.08546	7.6
242.05690	1.5
242.09271	2.4
248.08205	2.4
249.09016	6.6
250.09770	1.7
251.07094	7.5
251.10460	3.6
252.07809	7.4
253.08574	53.0
253.12186	17.9
254.05403	1.7
254.09236	6.8
255.06543	7.2
255.10135	15.7
257.08029	9.4
257.10791	2.1
263.07184	2.3
263.10513	2.3
265.08533	6.5
266.06339	2.1
266.09332	10.9
267.06448	5.1
267.10172	7.7
268.07315	9.1
269.08115	11.2
270.08817	8.5
270.12027	2.4
271.13287	3.1
277.08551	4.0
279.06387	1.5
279.10120	2.3
280.07455	1.7
281.08072	12.0
281.11679	17.8
282.08762	5.4
282.11948	2.7
283.06216	3.5
283.09573	23.7
284.10385	10.0
285.07651	2.7
285.11005	6.6
285.14667	3.0
294.08844	3.8
295.09619	5.3
297.07483	3.7
297.11243	5.0
298.08197	6.1
298.11877	5.1
299.12787	21.9
300.09979	12.4
300.13116	2.4
309.11157	14.2
310.11942	5.7
311.09103	1.8
313.10605	69.7
313.14313	37.8
314.10947	4.5
314.14468	2.9
315.11264	2.3
325.10245	1.6
326.11481	4.8
327.12250	98.8
328.12766	10.4
331.15359	18.5
341.09521	2.1
341.13812	36.9
342.14120	3.8
348.95575	1.4
359.10446	9.8
359.14825	100.0
359.22726	4.3
359.73495	1.7
360.15079	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	359.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01869	8.2
55.05509	5.8
57.03433	5.6
61.02913	4.8
67.05498	11.3
69.03422	12.3
69.08376	7.7
69.08781	15.6
73.02929	6.3
79.05495	13.4
81.03454	7.6
81.07050	18.1
83.05008	4.2
83.08688	3.8
84.04504	4.6
85.02900	51.0
86.09699	4.4
91.05479	9.4
93.07048	11.3
95.04985	7.9
95.08626	20.2
97.02885	18.2
98.22616	7.4
99.04459	5.8
103.05482	7.9
105.03399	7.8
105.07028	13.7
107.04948	5.8
107.08590	47.0
109.02913	8.6
109.06499	7.2
109.10148	13.9
111.08101	7.6
119.04925	6.5
119.08598	8.4
121.06562	4.8
121.10156	10.8
122.03578	7.8
123.11698	10.5
127.03916	87.0
129.07011	10.9
131.04939	12.2
133.06516	4.7
133.10123	24.1
135.04454	3.9
135.08020	4.2
137.05981	100.0
137.07028	7.0
137.13309	3.5
139.11230	4.3
143.04941	4.1
145.04976	18.7
147.04407	10.1
149.09633	6.3
151.03914	22.3
151.07616	6.8
151.11191	11.0
153.05443	4.2
157.06494	10.7
160.05203	6.2
161.05951	4.0
161.09615	6.7
163.06094	6.3
163.07521	8.6
167.07066	12.7
167.10751	4.9
173.06033	5.9
174.06804	4.3
175.07524	36.3
179.07062	17.9
179.10718	13.8
179.17950	11.0
187.07526	29.6
189.09175	12.8
197.08073	55.8
197.11723	96.3
198.12206	3.8
203.08600	8.7
205.08583	5.0
209.15306	4.6
217.08618	15.1
231.08084	4.3
234.14966	4.2
241.08842	3.6
246.06978	3.4
247.07680	4.3
248.08298	6.1
255.06705	4.6
266.65347	3.9
270.08905	7.3
279.10278	7.2
291.10162	16.3
297.93240	4.2
311.12863	12.2
315.19199	3.5
316.17395	16.6
323.12637	19.5
341.13696	20.6
359.15344	14.2
368.07849	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	359.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01869	8.2
55.05509	5.8
57.03433	5.6
61.02913	4.8
67.05498	11.3
69.03422	12.3
69.08376	7.7
69.08781	15.6
73.02929	6.3
79.05495	13.4
81.03454	7.6
81.07050	18.1
83.05008	4.2
83.08688	3.8
84.04504	4.6
85.02900	51.0
86.09699	4.4
91.05479	9.4
93.07048	11.3
95.04985	7.9
95.08626	20.2
97.02885	18.2
98.22616	7.4
99.04459	5.8
103.05482	7.9
105.03399	7.8
105.07028	13.7
107.04948	5.8
107.08590	47.0
109.02913	8.6
109.06499	7.2
109.10148	13.9
111.08101	7.6
119.04925	6.5
119.08598	8.4
121.06562	4.8
121.10156	10.8
122.03578	7.8
123.11698	10.5
127.03916	87.0
129.07011	10.9
131.04939	12.2
133.06516	4.7
133.10123	24.1
135.04454	3.9
135.08020	4.2
137.05981	100.0
137.07028	7.0
137.13309	3.5
139.11230	4.3
143.04941	4.1
145.04976	18.7
147.04407	10.1
149.09633	6.3
151.03914	22.3
151.07616	6.8
151.11191	11.0
153.05443	4.2
157.06494	10.7
160.05203	6.2
161.05951	4.0
161.09615	6.7
163.06094	6.3
163.07521	8.6
167.07066	12.7
167.10751	4.9
173.06033	5.9
174.06804	4.3
175.07524	36.3
179.07062	17.9
179.10718	13.8
179.17950	11.0
187.07526	29.6
189.09175	12.8
197.08073	55.8
197.11723	96.3
198.12206	3.8
203.08600	8.7
205.08583	5.0
209.15306	4.6
217.08618	15.1
231.08084	4.3
234.14966	4.2
241.08842	3.6
246.06978	3.4
247.07680	4.3
248.08298	6.1
255.06705	4.6
266.65347	3.9
270.08905	7.3
279.10278	7.2
291.10162	16.3
297.93240	4.2
311.12863	12.2
315.19199	3.5
316.17395	16.6
323.12637	19.5
341.13696	20.6
359.15344	14.2
368.07849	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	359.1701
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
52.69170	0.5
53.03937	0.6
55.01871	0.6
55.05510	1.0
55.63777	0.4
57.03432	1.4
57.54420	0.5
61.02921	1.4
67.05495	1.4
69.03423	3.5
69.42067	2.6
69.89899	0.5
71.04992	0.9
73.02926	0.7
79.05492	2.1
81.03413	1.4
81.07047	2.1
83.04955	0.6
84.26635	0.5
85.02909	10.1
86.09693	1.5
91.05476	4.8
92.62633	0.5
93.07050	5.5
95.04961	2.6
95.08612	1.6
97.02895	4.1
97.06513	0.6
98.22710	1.1
99.04456	1.4
103.05488	1.1
105.03394	0.9
105.07022	5.8
107.04964	0.8
107.08594	41.3
108.08939	0.9
109.02862	1.5
109.06528	2.7
109.10155	2.0
111.08066	2.1
119.08574	4.2
121.06512	1.3
121.10120	3.9
123.04348	0.6
123.08064	0.7
123.11715	1.0
127.03031	0.8
127.03916	13.8
130.05080	0.9
131.04906	0.9
131.08534	0.8
133.06570	0.6
133.10132	20.2
134.10410	0.9
135.04407	0.7
135.08086	0.8
135.11702	4.2
137.06013	4.7
137.09581	0.8
138.06274	1.2
139.03923	0.5
139.07558	1.7
143.08549	1.0
145.04984	1.9
149.06079	0.7
149.09613	2.3
151.03931	1.4
151.07538	1.4
151.11186	5.5
153.04404	0.6
161.05965	0.7
161.09613	5.9
163.03983	0.6
163.07541	1.8
163.11200	1.0
165.05435	1.2
167.10684	8.7
177.05518	0.7
179.07050	2.3
179.10672	13.1
180.10907	0.8
182.60210	0.5
191.14359	0.6
197.08105	9.1
197.11725	100.0
198.12057	2.9
200.13979	0.6
207.06499	2.0
231.21448	0.6
234.14792	0.8
248.75859	0.5
316.17535	1.2
359.16626	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12026	1.0
53.03942	4.1
55.05513	100.0
56.05854	1.1
57.07087	1.2
64.01505	0.8
64.72554	0.9
67.05499	7.7
69.06758	0.9
69.07067	5.9
72.31920	0.9
76.06004	1.1
79.05494	14.7
80.36209	0.9
81.07055	11.5
83.08621	56.6
85.10190	1.1
91.05476	6.3
93.07046	23.0
95.04987	1.6
95.08614	7.7
96.66978	0.9
103.76145	0.9
105.07024	6.8
107.08598	13.1
109.10140	4.6
112.44424	0.9
117.06995	1.0
119.08562	6.5
121.10139	12.0
123.11759	1.7
133.10149	5.5
135.11700	13.1
145.10107	1.2
147.11710	4.5
149.13258	6.4
159.11742	2.2
161.13254	2.8
163.14839	3.2
171.11678	1.2
171.89316	0.9
173.13266	1.6
175.14835	2.1
189.16565	1.1
259.20612	2.8
272.81778	1.0
275.20084	2.8
277.21591	17.9
289.21710	1.0
359.13345	1.1
359.29391	13.7
359.36859	1.2
360.29770	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.6
53.03937	0.7
62.43860	0.6
69.03429	1.2
69.79913	1.7
72.08150	1.0
77.03890	0.7
81.03395	0.8
85.02902	4.2
86.09673	1.0
88.81721	0.5
89.03911	1.8
91.05492	8.6
93.07026	1.3
95.04971	23.5
96.01629	0.5
96.05337	1.1
97.02886	2.0
103.05471	3.5
105.04482	1.3
107.04945	1.4
109.06521	1.4
111.04439	0.7
117.03386	3.0
118.06570	1.7
119.04945	36.1
120.05264	1.4
121.06506	1.8
121.42706	0.5
123.04433	56.1
124.04757	1.7
127.03913	1.9
131.04951	0.7
135.04407	7.5
137.05989	1.7
145.02840	6.3
145.04907	1.5
146.06012	11.0
147.04413	21.9
163.03909	50.4
164.04242	2.0
164.07051	5.5
165.05482	11.0
178.08636	25.8
179.08989	1.0
181.03699	0.5
181.04953	21.6
196.09692	84.8
197.10040	3.4
210.75064	0.6
348.36407	0.7
360.14401	100.0
361.10010	1.0
361.14673	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	360.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14361	0.4
53.03934	0.5
55.01853	0.5
57.03434	0.9
61.02901	1.1
68.21965	0.4
69.03423	1.5
69.24656	0.4
69.35153	1.5
69.35550	0.8
73.02908	0.9
77.03909	0.8
80.55631	0.4
81.03412	1.1
85.02901	8.0
87.22237	0.5
95.04939	1.2
97.02889	2.8
103.05466	34.1
104.05785	0.6
109.02895	0.6
110.44958	0.4
127.03900	2.7
131.04922	100.0
132.05220	2.8
135.04417	1.4
137.05937	1.1
145.02768	0.5
145.04944	2.8
150.23386	0.4
151.40179	0.5
163.03902	10.1
163.07539	35.7
164.07898	1.5
180.08728	1.0
180.10098	0.9
181.04979	3.7
181.08624	1.3
198.11237	0.8
199.09660	5.5
241.14751	0.6
325.97711	0.5
342.19760	0.5
360.17065	1.4
375.51602	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67409	1.3
53.03943	4.7
55.01874	10.2
55.05511	48.7
55.05780	2.5
57.03442	16.8
58.11000	1.6
59.05005	20.1
65.03936	5.5
67.05505	99.2
69.03426	12.8
69.07069	100.0
69.64137	4.5
70.04210	5.0
71.01360	10.6
71.04993	78.2
73.02911	11.8
73.06570	3.5
77.03937	4.0
79.05493	97.9
80.05829	1.7
81.03419	24.6
81.07058	77.3
82.07402	2.0
83.04978	15.4
83.08619	20.4
84.02121	11.7
85.02914	2.3
85.06537	7.2
87.04480	1.8
87.08092	1.7
91.05481	55.3
91.06050	3.0
92.06264	1.7
93.07044	78.7
94.04155	2.0
95.04967	33.1
95.08603	33.0
96.05773	2.1
97.02895	5.3
97.06532	91.3
97.10159	25.5
98.07348	2.2
99.08101	3.0
103.05463	1.8
105.04517	4.7
105.07031	33.9
107.04961	10.3
107.08596	42.9
107.43604	1.5
108.44080	1.6
109.06520	22.7
109.10150	31.7
110.07307	2.1
111.08075	10.0
113.06024	2.3
113.09640	3.5
115.07567	56.3
116.07904	1.7
116.52512	1.8
117.07063	9.3
119.08580	23.8
121.06506	7.0
121.10146	41.8
123.08069	6.1
123.11694	5.4
125.09628	21.2
127.03873	2.6
129.07037	4.2
131.07074	8.4
131.08568	13.9
133.06476	3.3
133.10138	19.4
135.08069	5.9
135.11708	7.7
137.09615	4.5
142.07845	2.1
143.08569	4.6
145.10139	9.7
147.08025	2.7
147.11742	8.2
148.12627	2.0
149.09618	8.3
149.13237	5.2
151.11209	2.7
153.09149	3.5
153.12746	22.9
153.38510	1.7
155.10654	14.1
157.10144	6.7
159.11687	8.2
161.13271	2.7
163.11186	4.8
165.09097	1.8
165.12836	2.1
166.13527	1.7
169.10114	1.9
171.10240	3.6
171.11697	3.4
173.11745	44.7
173.13225	3.9
175.11200	2.6
177.12785	4.8
179.14326	2.5
185.13271	2.3
189.11211	18.7
189.12643	2.3
194.13052	21.0
195.13783	6.8
202.88383	1.4
212.13934	2.1
213.14870	2.3
223.13280	3.5
227.16504	3.1
229.19479	1.8
235.16917	1.8
239.18034	2.1
257.19067	4.7
259.39096	1.6
267.44650	1.9
273.18478	4.5
275.20062	34.3
291.19629	2.1
292.88428	1.6
293.20856	1.8
307.22791	2.1
360.23312	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
55.01872	9.3
55.05520	16.0
57.03206	3.7
57.03438	28.5
67.05502	30.1
69.03434	9.2
69.07064	16.3
70.72895	3.1
71.04987	14.3
79.05495	33.5
81.03418	39.8
81.07057	19.9
83.04982	11.7
83.08612	6.8
85.02911	20.5
91.05482	21.7
93.07040	18.8
94.69576	2.7
95.04966	18.6
95.08620	15.0
97.02915	5.6
97.06527	17.4
97.10185	11.3
99.04472	2.8
105.07044	10.9
107.04970	11.3
107.08587	14.8
109.06519	100.0
109.10139	13.4
111.04435	3.5
111.08094	4.4
115.07591	14.3
115.08257	2.4
117.07047	6.9
119.08605	9.7
121.06537	10.4
121.10184	6.8
123.08103	9.2
125.09650	15.0
127.03928	10.7
129.06966	3.1
129.27530	2.6
131.08588	6.4
133.06535	2.8
133.10138	6.8
135.08057	8.2
137.09625	9.4
145.05005	2.8
145.10127	5.2
149.09616	3.9
153.09113	11.6
155.08530	2.6
159.08086	14.9
161.09680	3.6
163.06085	2.7
165.09190	3.2
171.10165	26.0
171.11575	4.7
171.53470	2.7
173.11818	8.1
189.11212	7.1
193.12283	5.0
197.13313	3.2
211.13318	4.5
223.13338	3.0
233.15488	4.5
237.14902	10.4
253.15811	3.2
271.16916	8.8
289.17972	17.6
300.21506	3.4
307.19141	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	360.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
55.01878	12.5
55.05508	62.2
57.03433	13.9
57.07070	7.0
59.05001	14.9
67.05503	80.4
69.03441	10.1
69.07066	76.2
69.63992	16.5
71.04993	100.0
78.88393	3.9
79.05492	67.1
81.03407	20.6
81.07053	84.7
83.04997	8.5
83.08625	29.1
85.02926	7.9
85.06541	16.0
91.05473	45.1
93.07050	47.1
95.04981	27.8
95.08607	50.4
97.06539	30.5
97.10165	42.1
99.08090	3.7
105.07031	39.4
107.04964	15.9
107.08587	44.8
107.61798	3.6
109.06528	25.1
109.10172	12.1
111.08097	10.5
113.06027	13.9
117.07008	16.6
119.08566	21.9
121.06502	11.3
121.10173	13.7
123.08076	8.1
123.11758	5.3
125.09627	27.7
129.07030	5.8
131.08542	22.1
133.06464	6.2
133.10121	24.7
135.08057	16.7
135.11723	22.1
137.09671	10.7
143.08577	11.1
145.06477	5.3
145.10117	10.9
147.11705	11.5
149.09631	15.0
149.13274	13.1
153.12791	6.4
157.10144	7.7
159.11633	24.6
161.13303	6.5
163.11188	9.9
169.10170	7.9
173.11755	9.8
173.13264	5.7
175.11078	4.5
175.41553	4.0
177.12784	17.8
179.14374	4.6
187.11177	6.9
189.11250	17.6
195.13824	17.7
200.12788	6.6
205.12231	6.5
209.15427	5.7
213.14854	6.4
217.15895	8.9
223.13312	18.4
227.16403	71.5
257.19104	4.3
273.18594	11.5
275.20062	56.5
282.00916	4.4
291.19580	24.7
307.22751	11.7
360.23972	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	360.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.7
55.01874	4.7
55.05256	4.1
55.05510	44.0
57.03440	3.7
59.05010	5.1
67.05506	86.5
69.03422	5.7
69.07066	33.9
70.95049	4.4
71.04993	86.6
73.06541	8.0
79.05501	83.0
80.05836	3.2
81.03411	3.1
81.07057	38.8
83.08613	23.3
85.06547	7.8
87.08134	6.0
91.05476	29.8
92.54907	2.9
93.06448	4.0
93.07043	83.3
95.04985	5.9
95.08620	40.7
96.00635	2.7
97.06525	13.8
97.10181	37.6
100.57098	3.4
101.21076	3.2
105.04484	4.0
105.07030	22.9
107.08602	59.9
107.16450	3.3
109.06529	3.8
109.10155	67.7
111.08088	5.7
117.07031	6.3
119.08593	17.5
121.06534	3.4
121.10144	83.2
122.10495	6.1
123.11672	3.7
125.09628	27.6
131.08572	6.6
133.10153	14.3
137.09598	5.2
145.10129	9.2
147.11650	6.7
149.09619	10.0
153.12740	61.9
154.13011	2.8
155.10669	38.1
157.10115	3.6
159.11751	5.4
161.13249	6.5
171.10178	5.9
173.11740	100.0
173.13257	4.9
174.12119	6.2
177.12778	3.3
179.14297	3.9
181.12166	3.7
189.11197	40.9
189.12584	3.7
190.14516	3.6
227.16582	5.8
239.18254	3.1
257.18948	9.0
271.29330	3.1
275.20059	71.4
276.20447	5.3
293.21121	4.6
293.79892	3.0
295.92487	3.1
354.11880	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	361.1129
Annotation	Glucosyringic acid
Peak:m/z	Relative Intensity
53.03934	2.2
55.01883	2.3
57.66394	1.0
65.03940	2.6
67.05507	3.3
69.03423	4.2
70.58327	2.1
76.38377	1.1
77.03931	3.0
79.05477	3.2
81.03438	2.3
81.07064	1.8
85.02893	9.4
91.05508	1.5
93.03394	1.6
93.07054	3.8
95.04967	26.3
95.08601	1.2
97.02872	5.6
100.97786	1.0
105.04514	4.0
107.04955	2.2
107.08593	2.3
109.06518	3.5
110.03668	1.3
111.08086	2.1
117.07091	1.2
121.02888	1.4
121.06510	3.9
123.04427	18.2
123.08080	2.0
125.02325	8.6
127.03907	9.2
128.04248	1.2
131.04887	2.6
132.04259	1.7
132.05281	3.4
135.08090	2.5
137.05975	15.9
139.03963	1.4
140.04677	100.0
141.05051	2.2
145.05011	1.7
147.04416	1.6
151.07495	2.7
153.05435	1.4
153.09024	1.3
155.07028	42.1
156.07394	1.8
163.03911	3.4
163.07571	3.2
164.04208	3.9
164.07965	2.0
165.07095	1.2
165.09117	9.0
167.03427	2.6
167.07054	11.5
173.08095	2.8
181.04959	9.3
181.08548	8.7
182.05267	1.8
191.05576	4.2
199.06006	68.0
199.09651	53.3
200.06325	1.9
243.35747	1.2
291.04337	1.2
305.85110	1.3
343.12476	2.1
361.13821	30.7
361.18054	1.9
362.13867	1.4
376.35782	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1492
Annotation	Semperoside
Peak:m/z	Relative Intensity
55.01871	0.8
55.05494	1.3
57.03427	1.7
58.99263	0.4
59.04989	0.6
61.02931	2.6
65.99969	0.4
67.05494	1.4
69.02316	0.4
69.03426	8.2
69.15067	1.4
69.15484	1.3
71.01350	0.4
71.04975	1.4
71.31765	0.4
73.02895	1.1
73.73770	0.3
79.05487	2.0
81.03440	2.4
81.03822	0.4
81.07048	1.5
83.01351	0.6
83.04968	0.7
85.02402	0.8
85.02900	12.7
86.84856	0.4
87.04466	1.6
91.03939	0.6
91.05468	1.2
91.76032	0.4
93.07030	1.5
95.04964	8.7
95.08586	2.2
97.02895	5.7
99.04434	1.8
101.02323	0.3
105.07030	1.5
107.04941	0.9
107.08590	3.6
108.38943	0.4
109.02880	2.1
109.06503	1.8
109.10140	0.6
111.04444	0.6
111.08057	0.7
111.43478	0.4
113.56773	0.4
117.07010	1.5
121.06490	0.9
123.04436	2.4
123.08060	5.8
125.02350	0.4
125.05998	0.5
125.09635	0.6
127.03914	9.7
135.08044	5.1
137.05956	1.4
139.03906	0.8
141.05446	2.4
145.04962	1.6
145.06516	0.9
151.07527	9.9
153.05478	0.7
153.09111	1.7
163.07535	3.0
169.08600	0.9
171.06447	1.1
180.43552	0.4
181.08588	11.8
182.08878	0.5
186.89200	0.4
199.09647	100.0
200.09959	3.7
236.73483	0.5
293.27368	0.4
335.91049	0.4
361.14893	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	361.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54676	0.6
53.03939	1.3
54.36926	0.7
55.05511	12.1
57.03433	1.6
57.07067	4.0
59.04993	1.1
64.41422	0.6
65.03924	0.7
67.05504	20.3
67.17051	0.9
69.03419	1.3
69.07065	5.4
69.98724	1.5
71.04995	7.7
79.05491	6.8
81.07055	100.0
82.07390	1.9
83.04997	1.5
83.08610	1.7
85.02921	0.7
85.06541	6.9
89.06033	2.4
91.05503	1.7
93.07047	9.6
95.04966	8.1
95.08600	18.5
97.06532	0.8
97.10157	10.7
98.23328	1.0
99.04472	1.2
99.08098	2.5
105.07052	2.4
107.08595	4.3
109.06527	3.5
109.10176	2.2
111.04467	1.2
111.08083	3.3
113.05952	0.8
121.10172	1.0
123.08093	1.6
123.11703	71.0
124.12044	2.0
125.09663	0.8
133.10110	4.3
141.12755	3.4
151.11174	15.1
162.87068	0.8
166.72896	0.6
169.12228	27.6
170.12646	1.3
187.13260	9.5
207.23357	0.8
217.71606	0.7
223.63704	0.9
343.17654	1.1
365.63925	0.7
369.56357	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.05511	13.6
57.03460	1.1
57.07074	2.5
58.38136	0.6
59.04993	1.3
61.49416	0.7
65.03930	1.6
67.05502	22.6
69.03428	1.6
69.07070	4.0
69.20280	1.7
69.20680	3.1
71.04994	9.0
71.08664	0.7
79.05495	7.4
81.07056	100.0
82.07401	2.2
83.04984	1.4
83.08626	2.2
84.74719	0.9
85.02880	0.9
85.06544	7.1
86.09702	0.7
89.06036	2.8
91.05488	2.2
93.07043	9.5
93.87389	0.7
95.04981	7.4
95.08606	19.7
95.15289	0.7
97.10159	8.3
98.97565	1.2
99.04454	1.0
99.08113	1.5
105.07058	2.3
107.08600	4.4
109.06532	3.6
109.10155	2.6
111.04414	0.9
111.08092	2.9
113.09605	0.8
121.10139	1.1
123.08080	1.9
123.11704	66.5
124.12075	1.3
133.10114	3.3
141.12764	3.2
151.11189	12.2
158.95500	0.7
163.07491	0.8
169.12234	26.8
170.12595	1.1
187.13298	11.7
187.14874	1.0
193.12292	0.7
201.81128	0.8
300.48572	0.7
304.09995	0.7
343.17126	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46166	0.6
53.03954	1.1
55.05257	0.9
55.05513	13.5
57.03420	1.7
57.07071	3.4
59.04993	1.8
65.03919	1.5
65.43299	0.6
67.05505	22.0
69.03432	1.7
69.07080	5.5
70.75237	1.0
71.04997	9.5
79.05492	8.0
81.07055	100.0
82.07394	2.5
83.05008	1.6
83.08614	2.2
85.06539	6.2
89.06029	2.8
91.05489	2.6
91.97732	0.6
93.07040	8.1
95.04971	8.0
95.08601	18.0
97.10166	11.8
99.04456	1.3
99.08098	2.1
105.07023	3.5
107.08585	5.3
109.06513	3.8
109.10166	1.9
111.04433	1.1
111.08102	2.8
113.06010	0.9
119.05042	0.7
121.10138	1.5
123.11705	76.0
124.12073	1.6
127.03920	0.9
133.10127	5.0
141.12743	4.3
151.11182	16.3
158.64540	0.6
169.12239	27.4
187.13306	13.1
187.14877	1.2
343.17532	1.4
361.09106	2.4
368.93130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03933	0.9
53.03940	1.3
53.99308	1.0
55.05513	15.0
55.20359	1.0
57.03444	1.8
57.07074	3.7
59.05008	1.6
67.05165	1.4
67.05508	21.7
69.03426	2.8
69.07066	5.8
69.19643	6.2
71.05003	9.1
72.77516	1.0
77.35068	1.0
77.58158	1.0
79.05500	7.8
81.07062	100.0
82.07397	2.3
83.04967	1.1
83.08611	2.3
85.02908	3.2
85.06551	6.3
89.06042	2.3
91.05486	1.4
93.07048	9.5
95.04985	7.5
95.08608	20.8
97.06586	1.0
97.10168	9.5
99.04456	1.1
99.08091	2.1
100.78381	0.9
105.07036	2.6
107.08612	4.1
109.06523	4.7
109.10139	3.0
111.04456	1.6
111.08087	3.5
113.09582	1.1
121.02832	1.0
121.10145	2.2
123.08112	2.0
123.11714	72.5
124.12020	1.6
133.10168	5.0
137.06027	1.9
141.12755	4.0
151.11191	15.4
166.08687	1.2
167.06992	2.0
169.12253	28.1
181.32280	1.0
187.13304	16.6
189.08952	1.2
273.56955	1.0
343.17493	1.6
362.24026	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	361.1986
Annotation	Arg Trp
Peak:m/z	Relative Intensity
54.86946	0.4
57.07065	0.6
63.70056	0.4
67.05503	0.5
69.62548	1.4
72.08131	0.5
74.09718	0.4
81.07072	0.8
109.10100	0.5
129.01855	0.5
289.14221	3.5
296.05313	0.5
315.19278	1.6
317.07846	0.5
329.17221	6.4
361.10904	3.6
361.19791	100.0
361.23438	7.6
361.79193	0.7
362.20114	7.2
362.27005	2.2
362.32208	0.7
380.07950	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.9
66.37315	0.8
67.05521	0.8
69.30856	3.9
81.42881	0.8
93.07059	1.0
104.99309	1.1
120.96656	0.9
129.01933	1.0
133.10049	0.9
245.55038	0.8
278.95587	2.2
317.08035	1.3
320.48816	0.8
345.07767	1.3
346.08417	1.2
361.10962	6.5
361.23495	100.0
362.23962	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	361.235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	1.4
59.98475	0.6
67.05496	0.9
68.99799	0.7
70.05153	1.1
81.07054	1.3
82.77184	0.6
95.04947	0.6
95.08588	0.9
98.22792	0.8
100.48526	0.6
104.99303	0.6
107.08587	0.8
129.01859	4.4
147.02800	0.7
159.11710	0.6
169.23537	0.6
180.61723	0.5
185.08029	1.5
249.14642	0.7
263.16104	1.7
279.15662	0.8
317.08072	0.8
343.21924	0.8
345.07477	1.1
346.08206	1.3
361.11014	5.2
361.23480	100.0
362.23743	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	361.235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	0.7
57.71758	0.3
66.83932	0.4
67.05487	0.8
69.10932	2.6
70.06573	1.0
72.08141	1.1
81.07064	0.6
85.02902	0.5
88.07629	0.8
91.05479	0.6
93.07043	0.7
95.08612	0.5
107.08556	0.3
116.20998	0.4
119.08595	0.5
165.12813	0.5
193.04961	1.5
205.79451	0.4
237.44133	0.4
249.14603	0.5
262.10834	0.6
263.16165	0.8
315.19266	0.9
320.19846	0.5
361.11371	2.2
361.23499	100.0
361.78952	0.8
362.23682	7.0
362.27481	0.5
362.32690	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.2
57.07074	13.0
60.69489	3.8
67.05509	15.4
68.99790	16.8
69.03455	4.4
69.07083	5.1
78.94855	4.1
79.05477	19.3
79.67257	3.3
81.07059	24.7
83.05029	3.5
85.02970	3.4
85.06541	8.9
91.05470	23.6
92.97058	3.3
93.07031	35.0
93.60033	3.4
95.04972	35.7
95.08604	16.2
97.06528	13.5
104.99303	4.3
105.07027	48.7
107.08607	16.2
109.06542	5.2
109.10160	6.0
111.00782	4.5
117.07033	12.1
119.08582	46.2
121.10148	8.9
128.06216	6.3
129.01834	100.0
129.07002	9.2
130.07782	4.3
131.08566	30.1
133.10127	48.2
135.11691	10.3
138.31354	3.8
139.00357	5.3
142.07785	9.6
143.08554	21.2
144.09386	6.0
145.10097	42.2
147.11674	8.9
155.08566	5.2
155.62204	3.5
156.09309	7.7
157.01337	9.9
157.10126	21.4
158.10947	7.9
159.11691	12.0
161.09680	4.1
169.10170	8.4
171.11716	13.0
173.09694	5.0
173.13243	20.3
175.14870	5.1
175.88692	3.9
183.11742	5.0
185.08086	57.4
185.13156	6.4
187.14825	16.2
199.14804	7.6
206.10814	3.8
209.13345	8.2
211.14792	6.7
213.12654	3.5
221.13240	6.0
235.14844	5.8
251.18063	4.0
259.15381	4.1
317.08063	8.1
346.08405	6.2
360.37463	20.5
361.10706	32.5
361.23380	56.8
361.37805	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.2
53.06115	3.4
53.49850	3.3
55.01871	11.6
55.05513	48.9
56.00684	4.0
57.07077	6.3
67.05505	54.9
68.99805	5.4
69.03426	5.0
69.07069	51.5
70.79340	6.3
72.08121	4.8
72.24750	3.8
79.05493	100.0
81.03411	9.8
81.07049	55.9
83.04967	14.3
83.08624	22.7
91.05483	64.6
93.07043	55.5
95.04971	18.8
95.08615	34.3
97.10169	42.0
105.04516	5.3
105.07027	48.1
107.04955	54.4
107.08601	64.0
109.06479	10.1
109.10147	21.2
111.08066	8.9
114.56424	3.8
117.07011	26.9
119.04906	10.2
119.08576	51.9
121.06507	14.1
121.10133	17.6
123.08043	5.5
123.11681	9.2
125.09648	38.6
129.01851	20.4
129.07002	8.8
131.08585	27.0
132.10556	4.9
133.06480	13.9
133.10143	23.3
135.08032	14.8
135.11678	19.1
143.08571	8.6
145.10121	27.5
147.08044	14.9
147.11685	20.3
149.13257	17.2
153.12698	8.7
157.10133	7.3
159.11705	17.8
161.09662	4.4
161.13254	9.0
163.14680	5.3
169.12294	4.7
171.11697	10.6
173.13281	17.0
175.14830	60.5
185.08110	15.0
186.86812	3.9
187.14818	17.9
189.11240	28.7
189.16313	6.9
193.04996	5.6
201.16338	7.3
217.15871	11.5
223.93369	4.0
233.15370	32.7
273.18552	7.6
292.20197	9.3
317.08075	8.9
325.25296	4.4
338.13684	4.4
343.26291	57.5
346.08374	10.2
361.10709	42.2
361.28214	14.5
362.30313	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	361.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	14.4
57.07077	14.4
63.60567	3.1
67.05501	39.8
69.07068	14.1
72.04939	3.4
79.05497	65.3
81.07059	46.0
83.08628	11.2
85.10186	6.1
91.05466	20.2
93.07044	96.0
95.04973	5.5
95.08611	43.8
97.10151	4.8
101.38646	3.6
105.07055	20.2
106.15002	3.9
107.08598	68.9
109.10162	19.9
117.06992	6.5
119.08561	18.4
121.10163	55.0
123.11708	8.1
129.01808	7.6
131.08578	8.2
133.10133	17.3
135.11696	60.9
145.10132	4.9
147.11681	18.7
149.13245	49.7
159.11664	7.5
161.13240	11.8
163.11150	4.8
163.14799	20.8
171.11668	5.9
175.14871	9.1
185.13297	5.4
203.81847	4.8
235.16901	4.0
241.19527	12.8
259.20511	25.6
277.21680	36.0
361.10593	17.4
361.31003	100.0
362.31171	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	362.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12405	0.9
53.03965	1.5
55.05504	1.4
56.89725	0.8
57.03452	0.9
67.05498	1.4
68.08578	1.0
69.03444	2.8
70.06578	1.5
70.17573	2.9
72.08114	1.8
77.03937	1.6
79.05482	5.7
81.03403	1.0
81.07056	1.7
85.02888	6.5
86.09703	1.3
91.05481	14.6
93.07043	50.4
95.04970	4.5
95.08578	1.8
97.02884	2.7
103.05499	1.1
105.04507	1.0
105.07034	6.2
109.02891	1.7
109.10215	1.5
119.04942	1.8
119.08588	11.8
121.10127	3.9
123.08100	1.3
133.06497	8.4
135.08084	1.1
137.05978	33.0
137.09618	4.1
138.06346	1.3
145.04985	1.7
147.08052	5.8
148.46492	1.0
156.53505	0.9
165.09117	100.0
166.09476	3.6
174.85197	1.0
183.10170	14.2
362.12106	3.1
362.24341	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35444	5.3
55.01868	6.4
55.05507	45.3
55.89915	5.4
57.03429	27.0
59.53518	5.4
67.05509	75.9
69.03439	14.4
69.07068	100.0
70.09313	11.4
70.09647	10.6
71.04984	18.4
79.05494	61.2
81.03419	33.1
81.07056	74.8
82.87317	5.2
83.04970	35.9
83.08613	26.5
85.06538	15.8
91.05495	33.6
93.07043	73.7
95.04961	24.3
95.08590	43.8
97.02917	9.1
97.06541	52.8
97.10169	26.7
99.08071	8.8
105.07018	29.9
107.04971	7.7
107.08590	34.1
109.06510	15.6
109.10163	36.2
111.08073	16.0
113.06006	10.7
115.07568	12.9
117.07031	22.7
119.08572	23.4
121.06494	16.6
121.10165	27.7
123.08051	16.5
123.11726	11.3
125.09642	16.6
127.07655	8.5
131.08546	18.6
133.10143	12.6
135.08054	13.4
135.11684	12.1
137.05960	10.7
137.09612	25.7
143.08539	7.3
145.10095	9.8
147.11676	13.7
149.09619	9.9
149.13264	16.0
150.09085	31.3
151.09953	71.4
155.10692	10.7
159.11700	10.2
165.09146	9.3
173.11853	6.3
173.13298	6.8
177.09232	6.5
189.11208	26.0
195.13766	30.6
200.12709	6.6
213.14906	21.0
217.15685	7.9
221.15370	9.0
223.13278	42.3
233.15331	6.8
251.16380	17.0
263.19958	8.5
273.18448	25.2
291.19583	54.9
309.20642	13.1
313.91461	6.7
344.14926	10.8
362.23251	66.7
363.18127	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	362.2664
Annotation	U-75302
Peak:m/z	Relative Intensity
56.03801	0.4
56.40882	0.3
56.96551	0.4
57.07064	0.4
66.77746	0.3
69.58949	0.7
69.59310	1.1
70.06576	0.6
71.04970	0.3
73.78691	0.3
81.07069	0.4
95.10470	0.3
97.27282	0.4
97.96702	0.3
100.19629	0.3
131.42250	0.4
151.10176	0.4
160.18756	0.3
193.25281	0.3
256.26328	0.6
300.28940	1.2
320.35638	0.4
321.10260	0.4
321.13736	0.8
362.26633	100.0
362.32266	3.1
363.21454	1.8
363.26962	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	362.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.0
57.07073	7.2
58.06586	2.6
67.05501	6.3
69.07067	1.2
69.78497	1.9
70.06590	18.6
70.06984	1.0
71.04991	14.1
71.08630	4.1
72.08133	2.3
79.05473	2.2
81.07054	6.9
83.08606	1.8
84.08138	2.1
84.09042	0.6
85.10170	0.7
85.10706	0.6
86.09705	3.6
88.07628	7.6
89.06033	1.0
91.05471	2.1
93.07034	2.2
95.08593	2.5
97.06577	0.6
97.10155	2.8
98.22749	0.7
99.08072	1.9
102.09194	4.3
107.08594	1.4
109.10144	4.4
111.03738	0.5
111.08005	0.7
119.08569	0.9
121.10168	0.8
123.11681	2.0
125.09618	2.3
132.10187	8.5
135.11710	0.7
146.11761	10.5
149.13246	0.9
150.43877	0.7
151.11197	1.1
154.05028	0.6
155.10663	1.8
155.14291	9.8
159.11638	0.7
169.52087	0.6
173.11732	5.0
189.11182	3.2
195.13794	0.8
209.15414	0.8
212.23735	2.1
227.16400	4.7
238.25032	0.9
256.26358	16.2
257.26642	1.2
277.21704	4.4
300.28970	40.8
301.29321	2.5
362.32629	100.0
363.16089	1.2
363.21396	5.3
363.32956	6.6
363.95505	0.6
366.82520	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.5
55.05509	5.0
57.07073	6.5
58.06598	2.0
59.04985	0.8
65.47174	0.4
65.93772	0.5
67.05502	15.7
69.07058	2.0
69.71685	0.8
69.72073	1.2
70.06588	17.4
71.04990	25.4
71.08627	4.2
72.08145	2.2
73.25202	0.4
79.05491	2.5
81.03164	0.4
81.07053	12.6
82.07391	0.5
83.04958	0.8
83.08619	3.1
84.08127	1.5
85.06532	0.5
86.09700	3.7
88.07130	0.7
88.07628	7.6
89.05986	0.5
91.05478	1.4
93.07047	1.4
95.08604	1.8
97.10165	4.4
99.08080	2.0
102.09174	4.8
105.07030	1.4
107.08575	1.9
109.10150	8.6
111.08045	0.8
114.09184	1.1
119.08557	1.1
121.10234	0.7
123.11684	3.7
125.09623	3.2
132.10191	8.3
133.10132	1.2
135.07996	0.5
146.11766	6.6
151.11151	1.2
155.10683	4.2
155.14299	19.4
161.13286	1.1
163.11253	0.6
171.10207	0.8
173.11726	16.5
174.12042	0.6
176.12839	0.6
179.14337	0.9
189.11212	5.6
190.14438	0.8
212.23732	1.9
238.25304	0.9
241.19350	0.4
256.26312	17.4
257.26654	0.6
259.20557	0.7
277.21603	6.4
289.17944	0.5
295.22647	0.6
300.28943	29.5
301.29239	2.3
321.13544	0.5
344.31696	0.8
362.32617	100.0
363.21518	1.4
363.32968	6.8
367.09140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.3
56.02621	0.6
57.06822	0.6
57.07079	8.8
58.06596	3.2
59.05005	0.6
65.03925	0.6
67.05503	9.8
69.07059	2.0
70.06593	21.2
70.63403	0.5
71.04992	21.5
71.08633	5.9
71.45255	0.6
74.06099	0.5
79.05492	1.9
81.06577	0.6
81.07052	10.8
83.08623	2.9
84.08151	0.8
85.10159	1.1
86.09683	0.7
88.07632	28.0
89.06007	0.8
91.05471	2.1
93.07041	3.3
94.95531	0.5
95.08585	2.9
97.06598	0.6
97.10176	4.1
99.08098	3.0
100.98857	0.6
102.09183	16.9
107.08581	2.0
109.10166	3.9
111.08090	0.7
114.09184	1.1
119.08587	1.0
123.11715	2.0
123.16200	0.6
125.09659	3.3
132.10188	1.4
133.10139	1.2
135.11697	1.2
149.13303	1.3
151.11215	1.5
155.10687	2.1
155.14297	9.7
159.11736	1.3
161.13312	1.1
163.11220	0.9
171.10052	0.6
173.11758	8.6
174.12257	0.6
176.12813	0.6
177.12787	1.9
179.14311	1.2
189.11191	4.1
190.14577	0.5
195.13783	1.4
209.15381	0.6
212.23813	1.1
213.08203	0.6
227.16420	8.1
256.26361	58.7
257.26654	3.5
267.01920	0.6
277.21637	5.0
295.22681	0.8
309.24207	0.6
339.14728	1.0
344.31653	4.6
362.32654	100.0
363.21442	7.3
363.32959	7.0
366.00485	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.3
67.05503	3.0
68.05835	1.2
69.07076	1.3
69.75395	1.9
79.05502	2.3
81.03441	1.0
81.07050	2.4
83.05011	1.5
91.05498	1.2
93.07039	1.3
95.04995	1.5
95.08596	1.5
98.23465	1.3
105.06995	1.4
113.00022	2.1
117.07070	1.3
135.30377	1.2
154.07558	1.4
169.02592	1.6
176.14384	3.8
187.88545	1.2
195.10042	1.5
235.65048	1.2
255.09145	1.5
266.09149	1.6
277.14124	8.4
283.08859	1.5
345.16995	1.5
363.17877	100.0
364.18051	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	363.157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	9.5
60.51068	6.8
62.57500	6.6
67.05490	20.9
69.07067	7.8
79.05495	19.0
81.07047	22.7
91.05492	16.7
93.07028	9.9
95.04964	12.3
95.08661	12.9
100.12635	7.1
105.07055	17.0
107.04993	9.1
107.08602	11.6
113.00035	17.9
117.07027	15.7
119.08580	7.8
121.10110	7.6
127.03912	8.5
131.08553	10.0
145.06525	15.0
147.04298	8.1
159.04462	8.1
159.11731	8.0
169.02600	29.0
173.05986	12.1
191.06999	8.6
193.12325	8.7
289.18054	20.5
317.13449	13.3
325.74023	8.4
363.17349	97.4
363.21524	100.0
364.28525	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	363.1648
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
50.76966	2.0
51.73573	2.3
53.03942	3.6
55.01874	3.3
55.05500	5.5
56.90496	2.0
57.03432	5.4
61.02915	5.1
65.03927	2.2
67.05502	27.6
69.03439	11.1
69.07053	5.3
69.23153	11.0
71.04980	3.7
73.02901	3.1
77.03912	2.6
78.08932	2.4
79.05486	32.9
81.03405	7.1
81.07051	10.2
83.04962	4.8
85.02903	20.7
87.04453	5.8
91.05476	54.6
92.39895	2.5
93.07041	69.5
95.04961	37.9
95.08619	11.8
97.02892	10.8
97.06525	3.1
105.04528	3.3
105.07015	17.9
107.08584	18.9
109.06495	9.4
109.10143	7.4
111.04440	10.1
111.08071	10.7
113.05993	3.7
117.07004	8.9
119.04925	4.8
119.08580	39.2
121.06489	9.5
121.10145	9.2
122.33121	2.4
123.04408	20.8
123.08040	6.8
127.03852	3.0
129.07051	2.6
135.08064	7.0
137.05940	8.0
137.09656	15.3
139.07513	3.8
141.05460	100.0
142.05710	3.0
147.08043	10.9
149.09605	5.6
153.09081	13.0
159.06612	11.0
159.07730	2.9
162.14212	2.7
165.09120	67.3
166.09418	2.7
177.32329	2.5
183.10159	76.0
185.11731	4.6
201.11203	39.1
301.89523	2.5
302.82175	2.3
331.03113	2.5
356.13379	2.9
363.15240	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.165
Annotation	1-O-beta-D-Glucopyranosylamplexine
Peak:m/z	Relative Intensity
56.81348	1.0
63.62391	1.0
65.95498	1.1
66.58889	1.2
67.05503	4.1
70.54332	2.8
72.88245	1.1
77.03916	2.2
79.05496	11.0
81.03417	1.3
81.07078	1.7
83.04991	1.3
85.02914	4.6
91.05478	23.9
91.79779	1.1
93.07047	81.3
94.07365	2.2
95.04958	6.7
95.08598	1.6
105.04519	3.5
105.07034	6.2
107.08633	1.6
109.06544	1.4
109.10142	1.7
111.08056	1.6
117.07043	2.6
119.04960	1.7
119.08582	14.9
121.10160	6.8
123.08019	1.5
127.03909	1.2
135.08026	1.5
137.05984	22.3
137.09637	3.9
141.05539	2.9
142.03992	1.3
147.08066	6.7
148.62267	1.2
153.09109	1.3
159.80794	1.2
164.23338	1.2
165.09117	100.0
166.09515	2.4
182.66319	1.3
183.10216	2.9
201.11223	13.9
228.17744	1.2
340.44064	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.165
Annotation	Suspensoside A
Peak:m/z	Relative Intensity
55.01862	3.6
55.05500	4.7
58.19036	3.2
58.96990	2.7
67.05509	24.2
69.03420	6.2
69.07075	2.9
69.29613	7.0
69.29996	8.3
71.04987	3.3
73.02895	4.0
79.05490	30.4
81.07050	10.0
85.02923	16.9
91.05486	46.6
93.07047	71.3
95.04967	39.0
95.08588	9.2
97.02906	6.8
97.39938	3.1
98.31689	3.2
105.04562	3.3
105.07030	9.0
107.08607	15.1
109.06499	5.7
109.10133	10.3
111.04429	13.1
111.08078	5.3
113.06019	5.1
117.07019	3.1
117.56013	3.5
119.04964	4.1
119.08591	36.8
121.10146	8.0
123.04433	12.1
123.08007	3.6
125.09683	3.6
135.08044	10.2
137.05948	6.5
137.09605	11.8
139.07535	3.3
141.05469	100.0
147.08043	13.4
153.09067	7.0
159.06534	9.5
165.09126	62.8
165.45743	2.9
183.08546	3.2
183.10159	61.7
184.10593	3.5
201.11229	30.0
244.63106	3.5
363.16345	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	363.1651
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
57.03429	1.5
58.12461	0.9
65.03953	1.2
66.43060	0.8
67.05502	12.7
69.03416	1.1
70.69022	2.2
71.05018	1.0
79.05489	8.7
81.07055	11.6
81.95171	0.9
82.07458	1.1
82.34439	1.0
85.02901	2.4
91.05471	10.0
93.07054	12.1
94.07370	1.1
95.04950	13.0
95.08604	41.8
96.08934	1.0
97.02888	1.3
105.06979	1.1
107.05006	1.1
107.08588	4.2
109.06496	3.2
109.10159	6.9
116.97097	1.1
117.07030	1.6
119.08581	22.0
120.08886	1.3
121.06495	1.3
121.10156	2.6
137.05960	1.1
137.09604	17.7
138.10019	1.1
147.08044	2.2
149.09607	2.7
153.09094	1.9
159.51295	0.9
165.09108	100.0
166.09453	6.0
167.07097	1.1
167.10695	2.8
178.70982	0.9
183.10156	11.2
184.10460	1.0
185.11737	4.9
201.11214	34.9
210.11920	1.0
246.12468	1.0
277.62781	1.0
291.76498	1.0
302.97675	1.1
312.86490	1.0
345.10858	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.178
Annotation	Thyrotropin releasing hormone
Peak:m/z	Relative Intensity
54.46693	0.5
55.01874	0.5
55.05514	1.0
56.96570	0.7
67.05491	1.6
69.07062	1.8
69.31518	1.1
69.31908	1.4
70.06603	0.9
79.05488	1.5
81.03430	0.6
81.07056	1.9
91.05481	1.3
93.07047	1.5
95.08632	1.4
98.22697	1.1
103.15715	0.6
105.07033	1.5
107.04969	0.6
107.08600	1.1
109.06515	0.6
109.10127	1.2
112.68425	0.5
119.08562	0.6
125.09659	0.6
131.08563	0.7
146.06046	0.6
147.04437	2.0
149.09612	0.8
167.07053	0.6
169.07613	0.6
173.41554	0.6
191.07028	2.4
200.20081	1.1
223.09441	1.9
276.20404	2.2
277.14093	10.6
277.17117	0.8
345.16864	1.1
363.17810	100.0
364.18140	5.8
364.24948	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	363.178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46693	0.5
55.01874	0.5
55.05514	1.0
56.96570	0.7
67.05491	1.6
69.07062	1.8
69.31518	1.1
69.31908	1.4
70.06603	0.9
79.05488	1.5
81.03430	0.6
81.07056	1.9
91.05481	1.3
93.07047	1.5
95.08632	1.4
98.22697	1.1
103.15715	0.6
105.07033	1.5
107.04969	0.6
107.08600	1.1
109.06515	0.6
109.10127	1.2
112.68425	0.5
119.08562	0.6
125.09659	0.6
131.08563	0.7
146.06046	0.6
147.04437	2.0
149.09612	0.8
167.07053	0.6
169.07613	0.6
173.41554	0.6
191.07028	2.4
200.20081	1.1
223.09441	1.9
276.20404	2.2
277.14093	10.6
277.17117	0.8
345.16864	1.1
363.17810	100.0
364.18140	5.8
364.24948	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	363.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91217	13.6
58.06591	12.6
59.45993	11.9
67.05496	14.1
71.04973	11.8
81.07064	18.7
88.07610	12.5
97.06495	14.1
104.99264	26.7
137.74889	11.6
172.78400	11.9
189.31129	12.4
252.20963	13.0
271.28146	14.4
363.19589	100.0
363.25641	19.5
363.32910	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2142
Annotation	Hydrocortisone
Peak:m/z	Relative Intensity
57.07067	0.9
58.06571	0.3
62.63132	0.3
65.82989	0.3
70.06592	2.7
70.52536	0.6
71.06908	0.4
72.08150	0.3
72.88596	0.3
80.54263	0.3
81.07047	0.5
86.09686	0.5
88.07631	0.9
98.23364	0.3
98.67147	0.3
102.09203	0.4
132.10182	0.9
137.05746	0.9
146.11755	0.7
171.60297	0.3
171.67690	0.4
191.15681	0.3
212.23788	0.5
235.13116	0.9
249.14667	0.8
256.26401	1.0
257.26743	1.2
300.28906	1.8
301.29297	3.1
305.14200	0.5
323.15411	0.3
345.09027	1.1
362.32617	4.3
363.21408	100.0
363.32965	10.0
364.21725	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	363.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	1.8
58.06579	0.7
60.85526	0.4
61.19123	0.5
69.07077	0.4
70.06590	4.8
71.06909	0.8
71.08636	0.7
71.45218	0.6
72.08140	0.4
81.07047	0.5
84.08137	0.5
86.09711	1.4
88.07619	2.2
90.91743	0.4
96.59690	0.4
102.09165	0.6
119.76050	0.4
127.17116	0.4
132.10207	2.0
138.64473	0.5
146.11752	1.9
203.09512	0.4
256.26328	1.9
257.26746	3.2
275.16205	1.4
300.28918	5.0
301.29297	6.5
345.16626	0.7
362.32635	11.5
363.21405	100.0
363.32953	24.9
364.17648	0.6
364.21765	7.7
364.25925	0.8
364.32837	0.5
377.59686	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2142
Annotation	Hydrocortisone
Peak:m/z	Relative Intensity
55.05499	1.1
56.96559	0.4
57.03427	0.6
64.62160	0.3
69.07053	0.5
69.70235	1.3
79.05470	1.2
81.07059	0.8
93.07050	1.0
95.01398	0.4
95.04985	0.4
95.08604	0.8
105.07021	0.8
107.08586	1.1
109.06492	0.5
119.08618	0.6
121.06479	1.0
131.08583	0.4
133.10132	0.4
134.56891	0.3
135.08038	0.6
147.11664	0.5
149.13216	0.4
161.13251	0.5
163.11205	0.5
177.12787	0.9
209.11449	0.6
221.24098	0.3
261.22186	1.0
271.20642	0.6
281.13525	0.4
289.21619	6.0
331.18762	1.0
345.24097	0.4
362.32410	0.6
363.21387	100.0
364.21741	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	363.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66668	0.5
55.07386	0.5
65.14583	0.5
67.44065	0.5
69.59525	2.1
70.13633	0.5
88.07616	0.6
91.97491	0.5
112.38666	0.5
124.17347	0.5
124.65180	0.5
130.54721	0.5
173.82649	0.5
295.18457	0.5
343.77393	0.5
362.32852	0.6
363.21417	100.0
364.21667	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	363.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.2
57.07071	4.9
57.24638	0.6
67.05495	2.3
69.07063	2.0
71.08634	3.7
71.45700	0.9
75.00827	0.7
76.29807	0.8
79.05486	0.9
81.07075	1.5
85.10196	1.7
89.06023	3.9
91.05486	1.2
93.07050	2.1
95.08599	1.1
106.26724	0.8
107.08613	1.0
109.06540	1.3
119.08575	1.2
121.66771	0.8
123.08072	3.2
133.08600	1.9
161.13277	1.0
179.14319	1.7
195.12265	1.9
249.14471	1.0
256.07504	1.2
277.21805	0.8
295.16464	1.3
302.30130	0.9
345.23959	0.9
363.25040	100.0
363.28824	6.1
364.25436	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	363.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44263	0.4
55.01864	0.7
55.05506	4.4
57.07078	5.0
67.05501	5.2
67.98988	0.5
69.03403	0.5
69.07067	8.5
70.62925	0.8
71.04990	0.8
71.08629	3.0
73.06525	0.7
79.05490	4.6
81.07055	10.6
82.20686	0.5
83.04973	0.7
83.08624	2.8
85.06543	2.4
91.05470	2.3
93.07033	5.9
95.04945	0.7
95.08599	10.5
97.06521	1.7
97.10178	0.7
99.08076	2.3
105.07019	3.7
107.08578	4.2
109.06513	16.5
109.10156	4.7
111.08071	1.5
116.26649	0.5
117.07024	0.6
119.08575	4.2
121.06506	0.7
121.10148	2.8
122.07251	1.4
123.08064	51.4
123.11671	1.4
124.08403	0.8
125.09592	0.7
131.08505	0.8
133.10132	2.0
135.08061	4.6
135.11665	1.4
136.08823	0.6
137.09586	3.1
137.13205	1.1
141.14180	0.5
145.10107	0.8
147.11661	1.4
149.09625	1.3
149.13240	1.4
151.11142	0.9
159.11618	0.7
161.13281	0.9
163.11150	0.6
163.14841	0.6
165.12724	1.3
167.14381	1.3
173.13220	0.6
179.14301	62.4
180.14680	1.5
193.15857	2.1
233.19078	0.5
263.19983	0.5
275.20157	0.9
289.25449	0.6
303.26675	0.6
307.22632	4.7
331.26257	3.9
363.28909	100.0
364.29294	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	363.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.5
55.70906	0.7
57.07080	1.7
63.48121	0.9
64.72279	0.8
67.05503	6.6
69.07066	8.9
69.17723	3.5
71.05003	1.3
71.08620	1.5
77.61713	0.7
79.05492	3.2
81.07061	9.2
83.08615	3.6
89.06023	1.9
91.00641	0.7
91.05470	1.7
93.07059	4.6
95.08611	9.0
97.06513	2.6
97.10155	1.2
105.07026	2.9
105.09902	0.7
105.71872	0.8
107.08608	5.0
109.06525	6.9
109.10163	4.1
110.52422	0.8
111.08056	2.3
119.08561	3.9
121.10115	3.8
123.08067	49.0
123.11687	1.3
124.08411	1.2
133.10120	3.4
135.08040	4.3
135.11653	2.2
137.09608	4.5
137.13255	1.1
145.10057	1.2
147.11691	1.8
149.09598	1.8
149.13264	1.6
159.11682	0.8
175.14824	0.9
179.14307	9.4
273.02100	0.8
275.19952	1.5
289.25168	1.1
295.22617	1.0
303.26874	1.0
307.22699	8.1
331.26309	3.8
336.73236	0.9
363.28925	100.0
364.29175	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	364.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58567	0.4
60.89667	0.4
69.03413	0.9
70.54229	0.9
71.04966	0.4
74.52627	0.3
78.04705	1.4
79.05479	0.9
81.03411	0.6
81.07047	0.4
85.02899	3.6
91.05439	0.5
93.07032	1.0
94.07349	0.4
95.04959	1.0
97.02885	1.1
98.22781	0.4
98.97564	1.3
106.04164	1.6
107.04956	1.1
107.08593	0.5
112.45306	0.4
112.46143	0.4
123.04420	3.6
124.05212	1.7
127.03899	1.0
129.36266	0.5
135.04514	0.6
135.07893	0.4
137.05984	0.4
140.04727	1.1
145.04958	0.8
149.06027	0.5
151.03903	1.1
151.09901	0.8
152.04671	1.0
155.07053	1.1
156.10213	0.5
158.99660	0.4
167.07031	100.0
168.07339	3.4
180.08672	0.6
184.09712	1.6
185.02594	0.4
185.04199	1.4
185.08093	1.2
201.11212	0.8
202.11517	0.8
203.05240	2.5
302.17392	0.7
323.10291	0.6
364.18250	0.8
365.10760	7.3
373.71503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.2
57.03441	4.3
57.07081	1.0
62.10456	0.8
67.05508	5.3
69.03439	1.7
69.07064	2.8
70.13630	0.7
71.05926	1.0
72.08154	7.1
72.66158	0.7
79.05495	4.9
81.03419	1.0
81.07057	53.0
85.02911	6.3
88.70561	0.8
89.75637	0.8
93.07040	11.5
93.71289	0.7
95.04986	1.0
95.08604	7.6
97.02876	2.2
97.06525	2.2
105.06984	1.5
107.08604	1.9
107.52509	0.9
109.10170	3.0
111.11710	2.2
119.52739	0.8
120.08105	3.5
121.10151	17.3
123.11703	23.8
123.85159	0.8
125.06004	5.6
127.03956	0.9
131.08589	1.1
136.06184	2.9
139.11172	12.8
145.05005	1.3
149.09613	2.5
167.10678	100.0
168.11006	4.9
171.14919	2.7
180.06535	1.1
185.11732	58.8
186.12109	2.8
199.14458	1.1
257.87323	1.0
339.15903	0.9
364.19666	1.5
365.15765	3.2
365.20590	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	364.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.01868	1.2
55.05492	0.7
57.03434	0.8
57.07061	1.1
59.05004	3.8
61.02912	1.1
67.05504	3.0
67.88375	0.6
69.03421	2.2
69.37819	2.9
69.38178	1.1
70.62189	0.7
70.69775	0.6
73.02914	1.6
79.05497	10.2
81.03415	1.6
81.07057	27.6
82.07338	0.6
85.02905	4.5
85.06517	0.7
87.04460	0.9
90.08332	0.7
91.05484	2.7
93.07041	14.5
95.04961	1.1
95.08608	17.5
97.02889	1.4
97.06509	3.8
105.07021	7.8
107.04945	1.3
107.08592	14.7
108.03530	0.6
109.02869	1.0
109.06567	0.7
109.91890	0.6
119.08565	2.1
120.08093	1.5
121.10145	100.0
122.10455	3.9
123.08073	1.2
123.11706	24.5
125.05993	6.9
127.03947	1.0
131.08533	1.1
131.61145	0.7
133.07637	0.9
136.06184	10.7
139.11172	14.9
142.94604	0.7
145.04895	0.8
149.09615	13.0
150.09998	0.9
167.10675	59.9
168.11012	1.3
185.11768	1.7
311.14960	1.4
329.15796	1.0
364.19580	3.9
365.20325	0.9
372.31995	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
55.05494	1.2
57.03431	5.9
59.04987	0.9
61.73454	0.8
62.65921	0.9
65.98505	0.9
67.05503	1.2
68.01715	0.9
69.03430	3.7
69.13091	5.9
75.04477	12.5
77.03920	1.2
79.05485	5.7
79.05878	0.9
79.84056	0.8
81.03406	1.5
81.07050	8.0
85.02908	12.5
87.04475	2.6
91.05476	7.3
93.07042	72.6
94.07396	2.2
95.04974	4.3
95.08599	4.1
97.02911	2.7
97.06524	1.8
105.04559	1.9
105.07015	5.5
107.08598	4.4
109.02856	1.0
111.04422	0.9
111.08082	10.0
119.08588	0.8
120.08104	1.5
121.10139	100.0
122.10477	3.9
123.08040	2.1
123.11714	5.2
125.05979	4.9
127.03933	2.6
131.08527	1.8
133.07634	1.7
136.06169	9.9
139.11174	23.4
145.04970	4.3
145.10069	0.9
149.09613	13.7
163.06009	2.7
167.10675	42.4
168.11069	1.4
185.11690	1.3
234.06044	0.9
293.13864	1.4
304.31607	1.0
311.14859	2.4
329.15952	0.9
364.19971	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	364.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.3
57.03429	2.5
67.05505	3.2
69.03423	3.8
69.07065	8.7
70.15003	1.3
70.15329	1.3
75.04456	0.9
79.05505	6.2
81.03402	1.3
81.07054	39.2
82.07381	1.1
83.04990	1.3
85.02917	4.8
91.05480	5.9
93.07048	19.6
95.04965	1.1
95.08612	6.9
97.02892	1.0
97.10184	1.1
98.22712	1.4
105.07010	2.5
107.08605	2.5
109.06551	1.4
109.10155	2.3
111.08073	1.7
111.11723	3.0
115.87939	1.1
119.08626	1.4
121.06475	1.2
121.10136	17.8
123.11700	17.9
125.06014	1.0
129.07007	1.3
131.08562	33.9
132.08885	2.0
136.06195	1.2
139.11176	12.9
149.09608	55.8
150.09950	2.1
151.19360	0.9
152.05663	16.5
152.98988	1.0
153.04071	1.1
166.27481	0.9
167.10672	100.0
168.11028	3.1
185.11719	33.9
186.11987	2.0
195.11250	0.8
276.71692	0.9
287.67871	0.9
319.02936	1.0
331.08450	1.0
346.18582	2.0
364.19977	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	364.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73021	0.7
51.88637	0.8
53.03938	2.3
55.01884	1.6
55.05261	1.3
55.05514	20.9
57.03455	1.2
57.07062	2.6
60.08163	3.7
65.03934	2.2
67.05506	52.3
68.05830	1.0
69.07069	21.5
69.70155	2.6
70.10110	0.7
71.04994	4.7
71.08636	2.1
73.02914	2.1
76.44920	0.8
77.03951	0.8
79.05496	29.2
81.07059	39.6
83.04984	1.6
83.08627	8.1
85.06540	0.7
87.77593	0.8
91.05488	12.4
93.07049	34.3
95.04979	4.4
95.08609	28.9
97.06538	4.6
97.10152	2.5
98.22739	1.5
99.04477	1.9
99.08121	1.8
105.04501	1.6
105.07022	8.7
107.08595	18.6
109.06515	3.6
109.10162	9.5
111.08086	1.1
117.07007	2.0
119.08581	5.9
121.06524	1.0
121.10136	11.9
123.08086	3.7
123.11698	2.7
125.06032	0.7
131.08591	2.2
133.10112	3.8
135.08070	2.6
135.11700	6.3
143.08617	1.0
145.10130	2.1
147.11681	2.8
149.13261	4.7
153.12779	0.9
159.11697	1.5
163.14865	1.0
165.12720	0.9
173.13272	0.8
175.14886	1.1
177.12730	2.9
249.18504	1.3
277.21677	4.3
291.19772	0.9
305.24747	58.9
306.25201	4.4
322.98895	1.4
329.24719	4.8
347.25815	17.1
364.32098	100.0
365.10449	2.6
365.23151	7.8
365.27411	6.9
365.32086	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	365.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29641	0.4
70.04156	0.9
87.61436	0.4
128.92712	0.4
131.14185	0.5
185.04227	20.3
185.05896	1.0
203.05261	42.9
204.05617	1.5
225.04672	0.5
245.04984	0.5
254.82332	0.5
315.55563	0.5
365.10587	100.0
366.10925	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62533	1.3
51.90965	1.3
55.01857	1.7
55.05523	2.0
67.05505	1.9
69.03429	2.4
69.07069	12.2
70.79211	1.6
71.04992	4.9
74.02423	5.8
79.05491	2.7
81.03429	1.3
81.07054	4.6
83.04977	1.5
85.02897	3.7
86.09708	30.1
91.05460	3.9
93.07016	2.0
93.15282	1.4
95.04955	5.5
95.08601	1.8
96.38232	1.5
97.02892	4.3
97.06550	3.2
99.04446	2.6
103.38350	1.3
105.07038	3.6
106.06551	3.6
107.04956	1.4
107.07310	3.7
108.04469	2.9
108.08131	16.6
109.06520	2.2
111.08091	8.9
112.07657	1.5
115.34405	1.3
119.08614	1.7
120.08091	3.7
121.10155	1.5
123.04404	1.8
123.06774	1.8
123.08053	2.3
127.03915	59.4
127.50646	1.4
128.04262	2.2
132.10228	3.0
133.06476	2.0
136.06207	9.5
138.09138	86.8
140.10712	2.3
151.03925	28.6
151.05025	3.0
151.07552	3.8
152.05650	3.8
152.10663	3.2
161.09474	1.4
163.03912	1.8
164.07086	1.3
179.07056	9.5
179.20770	1.3
196.69572	1.4
197.08099	52.9
198.08403	2.6
241.09599	2.0
255.11198	1.8
301.11789	2.5
319.23666	3.8
347.18875	1.7
365.20587	5.4
365.24347	100.0
366.20755	2.3
366.24713	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	365.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43760	1.8
56.09462	1.8
70.23504	4.7
81.07085	2.1
94.24013	1.7
95.04948	2.6
106.19756	1.6
117.06974	2.2
126.63130	2.0
127.59425	1.6
137.05728	9.1
143.42328	1.6
161.76419	1.6
184.44029	1.6
195.09904	2.9
205.08350	100.0
206.08727	5.2
235.13101	2.8
246.11134	2.4
254.91446	1.8
263.12558	43.9
269.10666	6.7
279.12000	2.7
319.15170	2.7
347.18225	3.9
365.19727	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	10.2
57.15081	2.9
60.39148	3.1
69.53711	12.4
86.39020	3.4
87.22784	3.0
133.52052	2.8
135.34102	3.3
148.23906	3.2
186.61340	2.9
195.71078	2.9
203.41708	3.1
269.10562	16.6
287.11569	5.4
365.17249	100.0
366.17459	4.6
383.17148	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	365.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.6
55.05503	16.8
57.07075	93.7
65.74417	4.0
67.05495	26.2
69.07066	46.4
69.56030	6.6
69.56418	9.4
71.05000	6.2
72.72195	3.7
79.05476	11.4
81.07051	17.7
83.04960	6.1
83.08629	13.6
85.06541	52.6
91.05489	7.2
93.07031	24.5
95.08612	21.9
97.06513	18.0
105.06989	4.6
107.08572	23.5
109.06501	23.4
109.10139	7.1
111.08091	5.0
111.11757	4.1
119.08618	4.3
121.10101	7.7
123.08068	14.1
133.10123	5.8
135.08049	31.4
135.11684	31.2
140.98500	5.5
147.11664	4.9
147.13754	3.3
149.09644	4.7
151.07639	5.7
153.12744	13.1
165.12749	8.4
177.12738	15.7
179.14323	8.5
189.00507	3.7
191.14258	4.5
193.12299	5.7
217.14346	24.0
254.35110	3.6
263.20065	78.3
279.19568	6.4
289.23407	3.8
303.13831	3.7
337.27661	6.0
341.15955	3.9
347.25809	100.0
348.26089	4.7
365.12732	7.1
365.17151	38.0
365.22409	18.6
365.26627	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	24.8
56.15566	7.2
56.96569	42.0
67.05510	25.7
69.07095	18.4
69.82944	23.8
69.83289	10.2
73.85975	7.7
79.05508	18.1
81.07048	35.8
83.04979	45.7
83.08631	10.5
87.04415	8.9
91.05486	17.6
93.07048	19.4
95.05010	19.8
95.08614	14.1
95.81663	8.1
97.06525	12.6
105.07006	9.8
107.08594	17.5
109.06525	18.3
109.10154	12.5
111.08088	8.5
116.98568	8.9
119.08602	16.0
121.10135	12.0
123.08075	12.5
127.03676	10.0
128.98677	8.3
133.10020	8.2
149.09596	8.5
203.05312	25.1
217.07420	9.8
225.90482	9.3
237.08908	18.6
247.12982	21.8
273.18698	11.1
291.19604	11.6
329.24939	9.5
333.20282	18.6
347.25742	29.6
365.10535	42.0
365.17117	27.5
365.23016	100.0
365.27115	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	365.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05204	5.7
55.05492	8.7
56.96559	41.9
63.82034	6.3
67.05504	19.2
69.07060	18.1
69.47750	6.3
69.56587	25.9
71.84102	6.4
74.67946	6.1
74.88271	6.0
79.05489	12.1
81.07050	24.3
83.08614	7.7
86.86047	6.6
91.05476	13.7
93.07033	17.9
95.04978	15.5
95.08622	13.4
104.99270	7.6
105.07011	17.1
109.10172	7.3
113.59264	6.8
121.10103	6.9
127.33514	6.5
133.10117	9.6
151.11218	8.7
175.80121	6.0
177.09138	7.7
193.38503	6.0
195.09984	8.7
201.07582	7.0
203.05417	6.8
229.07529	11.0
231.09106	9.2
235.08594	6.3
241.07478	7.5
243.09148	15.5
247.08583	9.9
261.09988	8.4
273.18427	9.4
305.14276	7.9
319.15143	13.7
347.25879	11.4
365.10864	31.7
365.17389	35.1
365.22879	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40316	2.3
55.05509	8.6
56.96550	4.3
57.03432	3.6
60.58639	2.7
67.05505	12.0
69.03474	2.8
69.07073	11.7
69.26557	11.1
79.05492	9.9
80.28950	2.7
81.03417	2.6
81.07071	12.6
91.05486	7.5
93.07053	5.4
95.04962	3.8
95.08613	5.3
105.07021	5.9
106.66134	2.7
107.08579	4.7
107.29449	2.6
109.10159	4.1
113.38426	2.4
119.08568	6.9
131.08580	4.2
133.10124	7.9
135.08017	3.9
166.97954	2.6
185.04227	5.5
195.10031	3.3
203.05267	13.1
212.98141	2.6
214.82675	2.7
215.03633	3.2
223.13370	5.4
271.06308	14.6
273.18411	3.1
279.41290	2.6
291.19623	9.6
305.14456	3.3
317.62552	2.6
347.09332	3.2
347.13101	9.6
365.10583	25.2
365.18915	4.8
365.23016	100.0
365.27539	6.5
366.23468	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50969	1.8
55.01852	1.7
55.05503	5.3
61.02919	2.2
67.05505	9.5
69.03419	5.4
69.07068	9.6
69.55576	7.8
70.06612	4.5
71.04987	5.9
72.08154	4.8
76.93880	1.7
79.05486	8.8
81.07056	27.9
83.04946	4.5
83.08624	3.6
85.02908	8.8
85.06544	100.0
85.29961	1.7
86.06883	2.5
87.04462	5.3
91.05457	5.6
93.07043	21.1
94.07348	1.8
95.04977	6.3
95.08607	12.0
97.02872	3.0
97.06539	18.7
97.07660	4.4
99.04461	2.6
103.07561	4.8
105.07031	7.3
107.07333	3.5
107.08613	6.9
107.94709	1.7
108.04462	2.9
109.06537	3.6
109.10146	25.2
111.08092	4.3
113.05991	10.6
114.10297	15.7
119.08577	1.7
120.08114	3.7
121.06503	2.7
121.10138	16.1
122.02396	6.9
123.08042	9.5
123.11707	3.9
124.07519	1.8
127.03883	3.0
127.11303	2.0
131.08557	3.5
133.10127	7.9
137.09657	5.2
139.11192	23.7
149.09636	12.5
151.11186	7.8
155.10655	9.6
166.04965	2.6
167.10675	83.7
168.06650	2.1
168.10968	5.4
169.08595	4.6
169.12231	6.3
182.04541	5.2
185.04330	1.9
185.11728	6.9
190.04240	2.0
196.06029	7.9
203.12842	12.3
216.91687	1.9
243.12320	2.0
271.23233	2.2
321.19150	3.3
333.10638	3.1
343.94263	2.0
344.91888	2.3
347.12076	2.2
365.08209	4.3
365.12787	2.3
365.17676	6.9
366.19812	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	365.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12118	0.7
55.05506	3.6
57.03436	0.9
57.07072	2.0
65.03936	0.6
67.05501	5.6
69.03435	3.5
69.07064	7.4
69.55966	1.5
69.56347	1.5
71.04994	5.0
79.05501	3.9
81.03414	0.8
81.07049	8.2
83.04970	3.1
85.02917	3.4
85.06540	100.0
86.06867	2.3
91.05468	3.4
93.07039	11.6
95.04958	4.4
95.08590	8.7
97.02885	1.6
97.06525	14.5
98.23435	0.7
99.04446	2.5
103.07584	4.5
105.07027	2.7
107.08585	3.6
109.06486	1.0
109.10152	25.0
110.10588	0.8
111.08083	2.6
111.11733	1.0
113.05996	9.7
121.10127	8.1
123.08080	4.9
123.11691	1.1
127.64845	0.7
129.07036	0.7
131.08569	2.4
133.10121	1.2
137.09615	5.4
139.11176	24.1
139.12263	1.3
149.09608	8.9
151.11227	1.5
155.10689	7.8
167.10669	72.1
168.11028	3.1
169.12160	0.8
185.11800	3.4
203.12767	11.4
204.13092	1.0
365.15884	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	1.3
55.05508	4.6
57.03450	1.0
57.07071	1.2
59.04993	1.5
65.03938	1.2
67.05505	12.1
69.03431	9.6
69.07064	9.1
70.80003	1.5
79.05489	20.3
79.57193	1.0
81.07055	16.0
83.04980	7.1
85.02910	3.0
85.06565	2.2
91.05486	7.9
93.03423	2.0
93.07047	40.3
94.07384	1.8
95.04961	4.5
95.08613	24.9
97.02895	35.9
97.06534	6.0
105.07032	6.1
107.04942	2.2
107.08590	8.7
108.08855	0.9
109.06526	1.9
109.10160	3.9
110.33622	0.9
111.04459	9.5
111.08051	1.5
113.09644	1.6
114.10277	1.2
114.42841	1.0
121.06516	1.2
121.10147	42.1
122.10504	1.6
123.08063	4.7
123.11738	2.0
125.06023	6.5
125.09644	1.2
131.08563	9.0
137.09637	1.2
139.11198	4.0
149.09618	19.7
150.09940	1.9
151.11185	2.5
167.10681	100.0
168.11018	5.5
169.12222	1.9
185.11719	27.9
186.12094	2.8
187.14952	1.0
197.50365	1.1
203.12822	9.4
259.31552	1.1
387.07532	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
55.05514	0.9
57.03433	5.1
66.47900	0.6
67.05506	5.9
69.09690	3.9
79.05492	2.8
81.07062	2.0
85.06545	3.6
89.75829	0.6
91.05491	2.4
93.07054	2.5
95.04978	7.7
95.08585	1.4
97.06556	0.7
98.23597	0.7
105.07055	1.5
107.04959	1.4
107.08651	0.8
109.06520	6.3
113.06010	13.8
117.07021	1.8
118.18062	0.6
119.08603	1.0
120.48416	0.6
121.06550	0.8
125.05782	1.4
129.06982	0.9
131.08528	0.7
135.08069	3.5
137.05762	3.6
145.06512	1.3
161.09642	0.9
173.05971	1.5
195.09918	2.5
205.08357	29.3
217.15906	1.8
224.12068	0.7
249.14616	0.7
263.12540	21.5
264.12927	1.3
273.18356	3.3
289.17697	1.2
291.19437	3.8
347.18198	1.6
347.22092	0.9
365.19168	12.3
365.23056	100.0
366.19507	1.1
366.23465	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	365.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41103	0.7
54.39829	0.8
69.97627	1.8
70.86030	0.7
82.00334	1.3
95.01086	1.9
107.04708	1.9
109.02632	0.9
125.05801	0.9
137.05745	1.7
149.05728	4.7
150.06509	2.9
174.41022	0.9
179.06779	6.7
191.10432	1.1
194.12761	1.4
205.08377	9.2
219.09990	2.6
220.10677	1.9
221.11476	18.8
222.12199	8.8
233.11499	4.2
234.12103	1.2
247.13031	1.6
251.12538	7.4
263.12546	16.8
264.12885	1.3
277.14212	1.0
289.17761	2.1
319.15125	10.2
320.15500	1.0
331.18817	6.0
347.18179	5.1
348.18900	4.4
363.63431	0.9
365.19165	20.2
365.23010	100.0
366.19492	1.8
366.23331	8.5
366.47791	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.4
70.25848	0.4
70.69489	0.7
79.05489	0.6
81.07049	1.7
88.01924	0.5
88.73316	0.4
93.07037	0.4
95.04984	0.6
95.08602	1.1
107.08636	0.4
109.06546	0.7
111.08092	0.6
121.06570	0.4
123.11712	0.8
127.03938	0.6
141.07156	0.4
151.03879	0.6
170.11836	0.4
179.07040	1.3
193.08327	2.8
195.09891	2.0
223.12840	0.4
235.55200	0.4
251.12495	1.1
279.12103	0.8
329.17224	0.7
347.18393	0.8
365.19342	100.0
366.19666	7.9
366.23636	0.3
388.24393	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24503	0.3
55.05013	0.3
70.40795	0.8
82.06799	0.3
86.89654	0.3
107.04709	0.3
107.11292	0.3
115.17986	0.3
136.90904	0.3
143.28006	0.3
149.05757	0.8
150.99234	0.3
152.75311	0.3
179.06830	0.5
205.08377	0.5
221.11510	2.2
222.12161	0.6
249.14651	0.5
251.12592	0.5
263.12570	1.2
289.17712	0.4
319.15219	2.0
331.18881	0.3
347.18326	0.4
347.22015	0.4
365.23001	100.0
366.18784	0.5
366.23318	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	365.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76159	0.8
55.01876	2.8
55.05515	10.6
57.03444	4.9
59.96318	1.3
61.16203	1.0
63.66819	0.9
64.66193	1.0
67.05507	15.8
69.03427	3.6
69.07065	17.2
69.20445	0.9
70.06606	1.9
71.04991	1.2
71.89198	0.9
79.05495	11.5
81.03418	2.4
81.07056	10.0
83.04991	2.7
83.08632	3.9
83.83537	1.1
85.06564	1.0
91.05474	5.9
93.07056	9.2
95.04950	5.3
95.08604	5.2
97.02895	3.8
97.06535	3.1
97.10181	5.8
102.08402	1.2
105.07020	4.7
107.04953	3.6
107.08599	8.2
109.06477	2.5
109.10157	5.4
111.08110	1.2
117.06993	3.3
117.60239	1.1
119.08578	4.2
121.10154	2.8
123.08078	2.6
125.09634	4.7
131.08571	3.1
133.06532	2.0
133.10130	2.8
135.08075	2.8
137.09673	1.8
140.37511	0.9
145.10115	2.7
147.08049	1.8
147.11784	1.3
149.09642	1.8
149.13237	1.4
149.53049	1.0
151.11211	1.6
159.11751	1.7
178.90471	1.0
184.29309	0.9
185.04216	1.2
189.11237	2.7
189.21800	0.9
195.13882	1.7
203.05235	1.5
221.11411	4.7
223.13232	7.3
263.12659	1.2
273.18527	7.1
291.19547	30.7
347.13123	1.6
347.22049	1.2
364.33319	4.3
365.10455	4.5
365.23026	100.0
365.32990	2.6
366.23312	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	365.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31609	0.5
51.98124	0.5
55.05510	0.8
56.96556	1.5
67.05486	1.4
69.65020	1.7
69.65356	0.6
79.05495	0.5
80.16042	0.6
81.07056	0.6
91.05474	0.7
107.04949	2.8
126.51862	0.5
135.17990	0.6
190.08633	0.9
203.05457	0.7
213.08043	0.9
217.07484	0.5
221.11449	3.2
231.09117	0.7
241.07387	0.9
249.54655	0.5
255.09184	1.0
261.10016	0.8
263.12595	1.6
273.09943	0.7
291.19379	0.8
348.19281	0.8
365.10464	2.4
365.23010	100.0
366.19400	0.7
366.23383	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	365.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.5
66.82516	0.4
67.05495	1.4
69.63808	1.9
79.05472	0.6
81.07050	0.8
85.06532	1.4
91.05459	0.6
95.04999	1.5
95.08598	0.7
109.06522	1.4
113.05985	3.4
117.07067	0.5
135.08041	0.8
137.05708	1.8
161.09766	0.5
181.04646	0.5
195.09920	1.0
205.08357	13.8
263.12527	9.4
264.13071	0.6
273.18433	0.9
282.95200	0.6
291.19458	1.2
342.76462	0.6
347.18234	0.8
347.22116	0.6
365.19284	6.0
365.22998	100.0
366.23395	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	365.23
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76200	0.8
55.05516	1.9
57.07074	1.6
67.05513	2.4
69.07059	2.8
69.11371	4.9
71.08625	2.1
79.05486	1.8
81.07049	2.5
82.21482	0.9
83.08633	1.1
85.06548	1.5
89.06035	2.5
91.05529	1.2
93.07035	3.0
95.08611	2.5
97.06518	2.8
105.07008	1.3
107.08617	2.5
109.10181	1.2
110.62247	0.8
119.08611	1.2
121.10061	1.1
123.08082	1.4
135.08037	2.0
135.11630	1.1
145.10107	1.3
155.43645	0.9
175.15079	0.9
177.12697	1.6
195.13780	1.3
203.05286	2.5
247.30093	0.8
287.03156	0.9
329.24741	3.8
347.25818	8.6
352.25061	1.0
365.10641	8.5
365.22986	100.0
365.26740	5.0
366.23215	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.5
55.01867	21.5
55.05508	32.2
56.96558	4.6
57.03440	20.5
57.07072	5.7
59.05002	21.1
59.33026	2.3
65.03944	6.1
67.05504	93.9
69.03426	8.0
69.07063	28.2
69.32301	2.0
69.76137	6.9
70.23119	2.1
71.04992	7.0
77.03936	2.3
79.05494	67.5
79.05950	4.4
81.03419	17.5
81.07055	100.0
82.07382	2.6
83.01345	3.2
83.04985	19.9
83.08615	16.1
84.86145	2.1
85.06549	11.5
91.05482	89.9
92.63956	2.2
93.07039	66.4
94.07393	2.4
95.04962	24.7
95.08606	37.2
95.09203	2.4
97.06525	8.4
97.10203	2.4
98.22742	3.5
99.04459	2.2
103.03905	2.3
103.05549	2.2
105.04521	5.0
105.07029	63.7
107.04955	23.3
107.08590	60.3
109.02857	3.4
109.06518	15.6
109.10155	53.0
111.04437	3.9
111.08076	9.6
113.06015	2.8
115.11211	4.5
117.07021	18.1
119.05042	2.4
119.06058	3.0
119.08577	23.7
121.06504	12.8
121.10149	16.6
123.04488	3.2
123.08073	30.2
123.11699	13.1
125.05907	2.2
128.06198	4.7
129.06996	9.5
131.04884	2.9
131.08565	29.5
133.06499	18.2
133.10129	88.9
134.10397	2.6
135.08063	22.8
135.11719	12.4
137.06009	2.3
137.09625	6.0
139.07518	4.1
142.07834	3.0
143.08554	7.3
145.06439	3.2
145.10092	13.1
147.08035	7.9
147.11705	7.7
149.09592	19.5
151.11179	50.1
153.12740	3.8
157.10152	7.5
159.08064	6.9
159.11707	4.5
161.09610	10.8
161.13234	4.4
163.11304	3.6
165.09102	2.6
169.12291	7.0
171.11691	4.5
173.13263	2.5
173.15492	2.6
175.11188	8.7
177.09105	15.2
177.12778	6.5
179.10611	4.3
181.12178	3.1
185.13269	3.6
189.12761	5.1
197.11646	3.4
203.05437	5.8
207.13785	5.5
215.12802	4.1
227.18001	3.4
243.09039	4.4
245.18895	9.7
251.12819	4.7
253.14336	63.9
254.14812	5.1
255.17534	3.2
261.10153	2.8
263.20056	11.7
269.13962	6.5
273.18500	42.2
275.14835	2.1
291.19531	31.1
293.21042	15.3
321.24573	2.9
347.22153	9.7
347.25833	11.8
365.10538	9.2
365.15604	5.5
365.23163	84.0
365.26846	3.2
366.23450	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	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01867	7.1
55.05511	32.4
55.05782	1.7
55.20358	0.9
57.03440	10.3
59.04997	2.2
65.03931	1.3
67.05502	34.8
69.03425	13.2
69.07066	41.4
69.07451	2.0
69.47823	4.5
71.04987	1.9
73.02951	0.9
79.05492	27.7
79.05952	1.8
81.03420	6.9
81.07056	21.3
83.04979	5.2
83.08622	9.7
91.05481	16.0
92.82202	0.9
93.07045	17.6
95.04970	8.2
95.08605	11.6
97.02895	16.3
97.06551	2.8
97.10167	20.0
102.66644	0.8
105.07030	11.6
107.04959	6.4
107.08593	16.7
109.02869	1.2
109.06512	2.8
109.10163	11.7
111.04447	1.1
111.08060	2.8
115.05428	1.9
117.07030	8.8
119.08592	11.2
121.06499	3.4
121.10120	4.6
123.08083	5.1
125.09628	13.0
129.07004	2.2
131.08606	6.8
133.06483	1.9
133.10152	4.3
135.08060	6.1
135.11714	2.9
137.09648	2.7
143.08578	2.9
145.10095	4.5
147.08047	5.0
147.11728	2.5
149.09589	2.1
149.13260	2.9
153.09171	1.6
157.10141	2.5
159.11711	3.5
161.09625	2.2
163.11183	1.6
165.09126	2.5
171.11681	1.7
173.11617	1.3
175.11208	2.2
177.12807	2.4
185.13263	1.6
187.11217	1.5
189.11208	6.4
195.13788	1.4
203.05251	1.5
205.12256	2.6
223.13278	33.3
224.13696	2.2
227.17935	1.6
245.19130	1.8
255.17561	1.2
263.20145	1.1
273.18448	11.2
291.19531	100.0
292.19861	5.2
350.94437	0.9
365.10791	2.3
365.23190	58.1
366.23520	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08508	3.5
55.01867	9.0
55.05509	46.0
56.96566	8.0
57.03428	17.0
65.03940	5.1
67.05509	52.7
69.03436	8.1
69.07076	27.9
69.56616	13.5
79.05492	70.1
81.03448	3.3
81.07059	80.6
83.04978	9.4
83.08628	14.5
88.89942	3.4
91.05482	96.8
93.07046	54.8
94.36856	3.3
95.04971	16.7
95.08597	44.0
97.06514	8.0
97.10179	8.6
98.22749	7.1
101.05970	3.3
103.05455	4.4
105.04507	3.9
105.07030	74.3
106.07364	3.4
106.24683	3.7
107.04974	9.5
107.08602	37.6
109.06523	17.0
109.10152	9.6
111.08082	7.5
115.05521	6.2
116.06232	6.9
117.07012	51.4
119.08572	49.9
121.06528	11.9
121.10128	20.3
123.08081	12.3
125.09669	9.9
128.06248	20.4
129.07019	30.5
130.07805	11.4
131.08569	100.0
132.08951	3.2
133.06496	9.1
133.10147	26.2
135.08057	8.0
135.11705	7.0
137.09578	7.1
139.11220	7.9
141.07004	12.0
142.07762	8.1
143.08563	96.5
144.08983	4.3
145.06502	3.7
145.10130	96.6
147.08069	22.7
147.11708	10.7
149.09596	6.1
151.07574	4.1
155.08534	12.8
157.10121	30.6
159.08063	9.5
159.10564	3.7
159.11668	21.6
161.09613	20.7
163.11267	3.5
169.10136	15.2
171.11707	22.8
173.13193	3.9
175.11189	8.6
177.12778	6.8
181.10074	16.1
183.11769	9.0
185.13275	8.7
189.11246	6.3
189.12831	4.0
195.11696	22.1
196.12286	4.3
199.11221	4.9
199.14839	5.6
205.08363	5.4
213.12695	3.4
216.19499	2.9
221.11603	7.1
227.17998	9.2
237.16386	25.1
245.19034	8.1
246.11334	3.7
255.17569	18.6
273.18518	66.4
274.18799	4.1
277.96576	3.7
303.19284	12.9
319.15207	9.4
321.16705	4.2
333.09836	11.6
347.18283	15.8
347.22189	39.6
348.18436	4.2
365.10651	7.2
365.19131	79.6
365.23413	10.0
366.19370	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2688
Annotation	Vitetrifolin F
Peak:m/z	Relative Intensity
53.03946	2.0
55.01874	3.7
55.05509	16.7
57.03439	2.9
57.07076	57.7
58.81825	1.8
59.05001	10.3
67.05505	25.7
69.07068	41.5
69.75991	7.0
71.04987	3.7
71.08611	3.1
73.06536	3.2
75.37724	1.7
78.23569	1.8
79.05495	13.9
81.07052	29.4
81.07500	2.3
83.04975	5.6
83.08617	11.4
84.00489	1.8
85.06548	35.4
90.07401	2.2
91.05480	9.8
93.07043	22.2
93.84486	1.9
95.04940	1.9
95.08608	22.4
97.06519	18.0
97.10192	2.1
105.07030	7.3
107.04922	2.7
107.08581	18.8
107.16773	2.1
108.15092	2.1
109.06522	26.9
109.10124	10.3
111.08085	7.2
111.11751	3.6
117.06973	2.1
119.08574	4.9
121.10130	9.6
122.07274	2.0
123.08063	93.9
123.11716	3.7
133.10150	8.7
135.08054	39.4
135.11697	29.2
137.09752	2.6
137.13289	2.8
139.07628	2.6
143.08543	1.8
145.10104	4.9
147.11635	4.5
151.07539	3.9
153.12738	17.4
159.56433	1.8
161.09641	2.1
161.13252	2.2
163.11163	3.0
165.09074	2.1
165.12756	11.9
167.14302	3.1
177.12747	24.1
179.14293	72.4
180.14684	3.0
181.12251	2.0
187.13313	11.5
195.13785	2.4
214.80391	1.9
217.14323	15.0
237.20216	2.2
263.08115	2.7
263.20062	29.4
279.19534	3.5
281.21039	2.1
329.24725	6.8
337.27490	4.2
341.51300	2.2
347.25800	100.0
348.26111	4.2
365.10773	4.3
365.15067	3.4
365.22864	10.5
365.26944	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2687
Annotation	Vitetrifolin F
Peak:m/z	Relative Intensity
53.03955	1.2
55.01862	2.2
55.05508	12.9
57.03429	3.7
57.07075	94.3
58.07410	1.4
58.80829	1.0
65.03953	1.7
67.05502	17.4
69.03382	1.2
69.07065	51.7
70.05473	3.4
71.04978	4.8
73.06523	1.7
79.05486	13.8
81.07056	19.4
83.04980	5.7
83.08150	1.6
83.08606	10.7
85.06540	58.4
91.05470	5.6
93.07044	22.0
95.04939	2.7
95.08607	20.0
96.17516	1.0
97.06528	17.7
101.06009	1.7
105.07019	5.6
107.08588	24.1
109.06517	28.4
109.10164	7.5
111.08059	8.8
111.11696	5.7
119.08573	5.0
121.06537	1.2
121.10131	6.0
123.08068	11.7
123.11729	2.2
125.06026	1.2
131.08534	2.1
133.10120	3.1
135.08043	34.7
135.11693	31.9
136.08411	1.8
137.09598	1.3
137.13161	1.4
145.10118	3.2
147.11687	2.5
149.09636	3.6
149.13269	1.1
151.07530	4.0
153.12749	18.7
159.11661	1.6
161.09633	1.7
163.11163	3.9
165.12743	13.4
167.14339	3.1
177.12740	13.8
179.14323	2.6
181.12250	2.9
183.13829	1.6
191.14328	2.0
193.12230	2.5
195.13770	2.5
201.14819	2.3
203.05272	1.4
213.46162	1.3
217.14346	20.1
263.20053	54.5
264.20435	3.4
279.19592	5.9
281.21045	3.2
291.19534	2.4
319.26407	1.5
329.24606	2.0
337.27408	4.7
347.25787	100.0
348.26233	9.2
365.10410	2.5
365.17041	3.7
365.22198	7.4
365.26862	18.8
385.53207	1.5
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
55.05505	1.1
57.07077	8.4
61.95304	0.2
62.58233	0.2
67.05502	1.7
69.02660	0.2
69.07062	1.2
69.77106	0.3
69.77444	0.8
71.04988	0.4
71.08640	0.4
72.60497	0.3
76.36728	0.3
78.42681	0.2
79.05479	0.8
80.27187	0.2
81.07063	1.6
83.04974	0.5
83.08624	0.7
85.06541	5.3
91.05470	0.6
93.07039	1.7
95.04968	0.8
95.08607	1.7
97.06527	0.5
105.07025	0.7
107.08588	1.4
109.06522	2.7
109.10127	0.6
119.08582	0.7
121.06521	0.3
121.10124	0.5
123.08069	3.2
124.08871	1.4
125.05959	0.4
131.08546	0.5
133.10124	0.7
135.08069	2.0
135.11670	0.5
137.05980	0.6
137.09642	0.5
139.07535	0.6
143.08559	0.3
145.10091	0.4
151.07533	3.4
151.11250	0.3
152.08319	6.1
153.12672	0.3
157.10150	0.7
159.11629	0.3
161.09705	0.4
165.09105	6.9
165.10426	0.5
165.12769	0.4
166.09769	0.6
177.12782	0.6
179.10686	1.5
181.12250	0.4
185.13283	0.5
194.13026	3.1
195.13741	0.7
200.30145	0.3
203.05315	0.4
207.13797	1.0
213.88774	0.3
221.15283	0.3
234.03070	0.3
235.16957	0.6
249.18506	0.8
263.20050	5.3
277.21817	0.4
279.19473	0.3
291.19528	0.5
319.26306	1.2
347.25800	20.9
348.26193	2.1
365.26852	100.0
366.27161	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	365.2688
Annotation	Vitetrifolin F
Peak:m/z	Relative Intensity
53.03954	1.1
55.01864	3.0
55.05512	19.4
57.03433	4.0
57.07075	12.6
59.05013	2.0
64.24660	1.3
67.05161	1.8
67.05505	23.4
69.03429	1.4
69.07069	71.3
70.67229	1.6
71.04993	8.1
71.08636	1.7
73.06562	2.6
79.05495	20.9
81.07059	26.0
83.04983	9.3
83.08623	15.8
85.06532	10.3
91.05481	6.4
93.07044	29.1
95.08024	2.0
95.08609	24.9
97.06537	27.9
101.05991	3.0
105.07037	4.1
107.08594	30.3
109.06514	16.1
109.10164	10.1
111.08077	8.6
111.11739	6.9
115.07561	1.7
118.98400	1.1
119.08591	3.1
121.06515	1.2
121.10151	6.3
123.08092	6.3
123.11717	1.5
133.10115	3.4
135.07050	1.7
135.08061	27.9
135.11690	55.7
136.12000	1.9
137.09666	1.4
137.13240	3.3
145.10115	4.9
147.11661	3.4
149.09666	1.2
149.13229	2.3
151.07544	4.6
153.12746	35.5
161.09569	2.5
163.11211	4.9
165.12756	25.4
167.14352	5.3
171.13802	1.5
177.12766	16.9
179.14369	1.7
181.12233	3.4
183.13780	1.4
193.12257	6.1
199.13290	2.7
201.14828	3.0
217.14328	33.0
218.14601	1.2
263.20087	3.9
264.80923	1.2
271.28995	1.0
319.26578	1.5
329.24768	1.7
337.27438	2.1
347.25812	100.0
348.26309	7.9
365.10400	2.0
365.26871	15.0
382.25076	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2688
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
50.45494	0.9
55.01876	0.8
55.05506	4.3
57.07076	100.0
63.65920	0.8
67.05503	7.5
69.07073	9.1
70.70007	1.1
70.70348	1.1
71.04988	1.0
71.08650	1.0
73.92486	0.8
77.75157	1.0
79.05503	4.3
81.07065	8.9
83.04965	1.2
83.08611	2.4
85.06544	61.6
88.02344	0.9
91.05482	3.4
93.07056	7.5
94.86934	0.8
95.04992	1.5
95.08609	10.3
95.10361	0.8
97.06519	3.5
97.10155	0.9
105.07021	3.4
107.08599	9.7
109.06514	19.2
109.10162	3.3
111.04436	2.5
111.08084	3.8
113.46035	0.9
117.46837	1.0
119.08594	4.2
121.10130	3.6
123.08067	9.7
123.11750	0.8
125.06003	1.6
131.08591	1.6
133.10159	2.6
135.08044	17.7
135.11674	4.0
137.05992	1.3
139.07568	1.1
145.10104	1.7
147.11670	2.3
149.09615	3.1
149.13235	1.3
151.07503	5.4
152.08348	3.2
153.12723	1.5
159.11681	1.2
161.09592	1.0
163.11188	1.3
165.09099	10.6
165.12785	2.3
166.07419	0.9
167.14270	1.2
175.11298	1.2
177.12773	3.9
179.10683	1.9
179.14313	1.7
191.14291	1.8
195.13832	3.2
199.57283	0.8
208.14688	1.7
221.15424	2.2
245.18855	0.9
261.18472	1.9
263.20068	58.5
264.20380	3.8
279.19632	6.7
281.21106	2.5
291.19629	2.5
305.24722	2.8
319.26276	4.7
329.24933	1.7
337.27380	3.7
347.25812	93.4
348.26144	7.2
365.10434	1.3
365.26865	90.2
366.27274	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	365.2689
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.05492	1.1
57.07065	1.2
57.86776	0.3
61.87220	0.3
67.05501	1.2
69.07061	1.2
70.56528	0.6
79.05495	0.6
81.07043	1.5
83.08602	0.4
85.06539	0.4
91.05476	3.2
93.07027	0.8
95.08631	1.7
105.07065	0.6
107.08567	1.0
109.06487	0.8
109.10154	0.9
119.08598	0.3
121.10142	0.6
123.08107	2.0
124.08835	1.5
133.10056	0.4
135.08017	0.5
135.11662	0.4
137.09586	0.5
151.07521	3.3
151.11127	0.5
152.08319	5.7
165.09116	8.0
166.09891	0.5
175.11310	0.4
177.12766	0.4
179.10689	1.5
181.12302	0.5
184.49036	0.3
185.04228	1.3
194.13000	3.2
197.93738	0.4
203.05173	2.0
207.13850	1.4
249.18445	0.6
263.20047	1.6
285.59970	0.4
319.26349	1.0
347.25833	15.6
348.26270	1.3
365.10712	5.9
365.26846	100.0
366.27292	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2688
Annotation	3-Acetylvarodiol
Peak:m/z	Relative Intensity
55.05513	1.2
57.07076	11.5
67.05520	1.3
69.07055	1.2
69.53699	1.1
71.08620	0.3
79.05499	0.9
81.07053	2.2
83.08633	0.4
85.06543	7.0
86.53210	0.2
91.05482	0.8
93.07037	1.4
95.04942	0.3
95.08600	2.1
97.06543	0.7
98.22745	0.5
105.07033	0.7
107.08580	1.4
109.06517	11.2
109.10162	0.9
110.06871	0.4
111.08174	0.3
119.08597	0.9
121.10139	0.7
123.08074	2.2
123.11737	0.3
131.08630	0.2
133.10197	0.4
133.17348	0.3
135.08047	0.4
135.11699	0.6
137.05978	1.3
137.09668	0.3
139.02074	0.3
145.10104	0.3
147.11743	0.5
151.07536	6.2
165.09143	0.9
185.11197	0.3
193.12242	1.0
194.12898	0.2
203.05278	0.7
237.47029	0.2
263.20056	100.0
264.20392	6.1
281.21191	0.4
319.26324	0.3
347.25821	3.3
365.10278	2.2
365.26883	6.9
366.27301	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2689
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
51.53604	0.6
55.01849	0.8
55.05520	4.5
57.03415	1.0
57.07069	1.8
58.75750	0.6
67.05502	8.2
69.07071	15.5
69.50439	2.1
71.04986	1.0
71.08619	1.9
78.00365	0.6
79.05491	5.6
80.06275	1.8
81.07052	8.1
83.04983	1.5
83.08607	2.8
85.06535	2.1
91.05478	1.8
93.07038	8.2
95.08611	7.0
97.06508	4.0
99.08089	1.3
100.24796	0.5
105.07027	1.2
107.08598	6.3
108.05736	0.7
109.06511	2.4
109.10126	3.3
111.08044	1.5
111.11698	0.7
119.08556	1.5
121.10117	2.4
123.08038	1.4
133.10095	0.8
135.11690	10.8
136.05167	2.0
137.05972	3.4
137.13260	1.5
140.04576	0.6
145.10133	1.8
147.11671	1.3
151.07578	1.4
153.12737	4.9
159.11674	0.6
163.11163	1.2
167.14290	2.8
179.14326	6.3
181.12234	1.1
185.04189	1.1
193.12239	100.0
194.12680	2.9
195.13817	0.6
199.13341	1.2
203.05275	3.1
205.15883	7.3
217.14362	14.2
221.15372	2.6
221.19028	1.0
256.37515	0.7
319.26422	5.0
328.50839	0.6
347.25806	65.5
348.26175	6.1
365.10468	8.8
365.26932	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	366.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.6
55.05494	1.3
56.96560	6.0
61.81718	1.3
62.78156	1.2
67.05500	4.1
69.03426	3.7
69.07056	1.7
71.43072	1.3
74.39579	1.3
79.05487	11.8
81.03400	1.7
81.07066	8.4
84.08127	2.0
84.96018	2.3
85.02901	8.2
91.05482	5.0
93.07040	6.6
95.04964	5.6
95.08616	14.3
97.02857	1.3
98.97586	14.4
99.97911	1.6
105.07036	24.4
107.04926	1.5
107.08602	5.9
109.06529	6.6
110.97598	7.2
111.08092	2.2
111.97868	1.5
116.98631	7.0
121.06526	2.0
123.08076	13.1
123.11703	3.1
125.05997	2.1
127.03941	2.0
128.98630	9.6
133.06509	7.6
134.99670	2.7
139.07486	6.6
145.04980	1.7
146.06020	2.0
146.99670	4.8
151.07539	40.4
151.11171	1.6
152.07951	1.6
163.21312	1.4
164.15987	1.5
169.08603	100.0
170.08975	2.3
170.99707	1.3
177.00832	1.5
185.04179	2.8
186.04535	4.7
187.09656	64.7
188.07124	2.1
188.10120	1.4
192.01939	3.3
203.05281	8.1
204.05382	6.9
205.05824	1.4
210.02922	3.5
219.01848	3.1
220.02089	1.9
237.02803	1.8
238.03157	2.5
246.02974	3.7
305.08963	2.5
306.00287	1.4
306.09384	9.3
323.10037	1.5
324.06863	2.2
324.10458	9.3
341.84244	1.4
342.07220	2.5
366.07349	3.0
366.11017	48.7
367.10825	7.9
384.08093	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	366.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.7
55.05508	3.2
61.02914	5.9
65.03895	1.9
67.02491	1.8
67.05502	5.6
69.07063	2.9
79.05502	10.3
81.07050	7.5
83.04995	2.9
91.05479	20.1
93.07038	7.1
95.04978	4.8
96.08128	10.0
97.06515	2.1
103.86118	2.1
105.07021	14.5
106.06549	2.4
106.32353	1.7
107.04994	5.1
107.07347	2.1
107.08588	5.7
108.08096	3.0
109.06508	9.5
109.10108	2.5
109.57004	1.7
110.06019	2.5
111.03770	1.9
115.05465	2.8
117.02029	2.5
117.05663	2.0
117.06996	2.8
119.04939	6.9
121.06485	2.5
122.06030	3.6
122.09673	9.9
123.06829	2.4
124.07592	19.8
125.06028	2.8
130.06509	8.0
131.08607	2.0
132.07994	4.7
133.02870	5.8
133.06541	2.5
133.10201	2.6
134.09596	3.3
136.07585	12.6
137.05972	3.0
138.09149	6.9
142.06563	2.8
143.08549	2.9
144.08070	5.1
145.08878	3.3
145.10106	2.1
146.05963	4.4
146.09669	3.0
147.06775	2.2
149.05994	5.8
150.09143	21.5
151.09912	15.2
152.10690	30.0
153.01733	2.2
156.08096	4.5
158.06026	6.2
158.09644	4.0
159.04381	2.4
160.07549	11.4
162.09111	14.0
164.10741	6.1
165.05479	16.5
165.06894	3.4
168.08060	2.7
170.09700	8.9
171.10423	7.0
172.07591	9.1
172.11093	4.1
172.34538	2.1
174.09135	24.1
175.09875	4.4
176.10680	6.9
179.07043	19.5
181.08897	2.8
182.06033	2.1
184.07576	4.1
185.08298	2.3
186.09134	19.6
186.12759	11.1
187.09891	8.4
188.10680	30.2
189.11436	6.9
195.10298	8.2
196.11385	4.0
196.18701	1.9
198.09091	2.4
199.09927	5.8
200.10693	7.8
200.14314	6.8
202.12402	2.2
204.10104	3.7
207.09955	6.4
209.08362	5.5
210.09198	6.6
210.12701	4.6
212.10692	7.2
213.11382	2.9
214.08682	8.5
214.12250	75.5
215.12744	2.8
216.10237	8.9
216.13818	16.1
220.11238	4.7
221.11566	2.7
223.09848	4.5
224.10742	5.1
227.09340	2.3
228.13805	42.3
232.09660	8.7
238.12228	40.2
239.12762	3.3
246.11301	20.1
248.12828	4.0
256.13315	44.2
257.13724	3.4
266.11816	12.1
269.10428	2.4
284.12820	53.4
288.15936	77.9
289.16241	5.2
298.14389	78.9
299.14777	3.9
316.15421	100.0
317.15744	8.8
320.15530	2.9
322.16434	2.1
334.16571	12.6
335.16714	2.9
348.18127	22.8
366.19501	23.5
367.11707	4.7
367.21005	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	366.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.2
54.53479	2.1
55.01869	7.7
55.05515	18.5
56.96557	2.9
61.02909	3.1
65.03938	4.1
67.05506	35.1
69.03429	8.2
69.07072	3.4
71.04990	22.6
72.08158	8.1
79.05479	13.2
81.03415	2.8
81.07057	95.7
82.07410	2.8
83.04981	32.4
85.02904	28.2
85.06564	2.4
86.43145	2.3
91.05484	21.7
93.06448	4.8
93.07043	100.0
94.07372	4.8
95.04970	42.8
95.08589	14.5
97.02902	6.9
97.06525	7.0
98.56470	2.4
105.07022	30.0
107.04957	2.5
107.08596	46.9
107.97258	2.5
109.06529	13.4
109.10163	13.9
111.08089	3.5
120.08125	4.8
121.10159	6.4
123.08058	12.2
123.11706	52.0
127.03914	5.1
131.08553	3.1
133.10138	57.5
134.10493	4.4
135.11676	2.7
136.07645	2.5
137.06001	3.1
138.09146	3.0
145.04959	6.2
151.07594	2.6
151.11174	43.1
162.58409	2.9
169.08656	8.1
169.12212	15.5
178.05421	3.4
222.04408	4.9
235.08676	2.4
240.05377	4.8
316.98703	2.7
320.01102	4.7
323.10992	2.8
367.18637	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
55.05509	3.2
57.03432	1.7
59.04992	2.2
67.05505	14.7
69.03421	4.2
69.07082	7.3
71.04991	18.7
79.05485	5.6
81.07055	23.7
81.42409	1.2
83.04951	1.8
83.08645	2.4
85.02898	9.1
85.06543	33.9
87.04467	2.2
91.05479	11.2
93.07045	22.1
95.04917	1.6
95.08594	6.3
97.02912	1.7
97.06534	2.3
99.04449	2.3
99.08061	1.3
105.07021	12.2
107.08604	15.9
109.06530	4.6
109.10153	31.8
111.08088	13.2
120.08073	4.3
121.08471	1.9
121.10139	2.8
123.11711	18.4
125.09586	2.2
127.03922	1.2
133.10130	47.3
134.10504	1.5
139.11110	1.4
151.11188	60.1
157.12283	1.6
164.07072	1.4
169.12242	58.5
170.12573	2.5
187.13293	100.0
188.13643	3.1
196.09744	6.3
206.59244	1.2
280.10770	1.3
306.18784	1.7
321.18042	2.2
366.20908	3.5
367.18658	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	366.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62444	2.2
53.03936	2.9
55.01877	9.7
55.05501	15.4
57.03436	3.8
59.05007	4.9
59.52992	2.5
65.29430	2.4
67.05503	27.6
69.03434	9.6
69.07068	7.2
69.54635	9.5
71.04984	22.9
72.08151	2.9
79.05489	7.8
81.03446	3.0
81.07054	100.0
82.07372	3.4
83.04989	26.2
84.08146	3.0
85.02905	26.2
85.06538	3.1
86.35150	2.4
91.05470	16.4
93.07044	85.4
95.04971	40.4
95.08611	10.2
97.02890	7.2
97.06523	4.8
105.07034	30.5
107.07924	3.9
107.08595	45.1
109.06519	9.6
109.10155	20.6
121.10164	8.6
123.08085	10.5
123.11700	40.8
127.03927	6.1
133.10136	50.8
135.11702	4.9
145.04970	7.7
151.11185	32.3
151.12292	4.1
169.12210	4.4
218.82608	2.3
251.68086	2.5
313.16949	2.7
322.90045	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	366.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94468	1.2
53.03939	1.8
55.01877	2.6
55.05506	3.1
55.18922	1.3
56.92776	1.1
57.03430	1.9
57.07076	2.8
59.04997	5.5
67.05500	13.6
69.03436	2.4
69.07061	12.1
69.70938	4.8
69.95374	1.4
71.04986	18.8
79.05482	9.4
81.07052	42.0
83.04962	2.1
85.02900	10.6
91.05479	8.2
93.07045	20.3
95.04975	4.8
95.08598	13.3
97.02860	2.3
97.06479	1.2
99.04455	2.8
105.07036	12.9
107.08595	60.2
109.06489	5.9
109.10149	25.9
111.08086	3.7
113.05987	2.7
121.10133	1.8
123.08105	2.4
123.11702	35.6
127.03916	1.6
133.10121	38.9
139.11197	5.3
145.04897	1.9
151.11179	91.4
152.11499	2.7
169.12231	100.0
170.12621	2.4
179.21280	1.4
187.13283	32.1
187.14862	2.3
188.13576	1.6
196.73505	1.1
367.18625	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.6
55.05521	1.9
57.03434	2.8
59.05001	5.2
61.02930	2.9
64.92612	1.2
67.05509	11.8
69.03437	3.6
69.07075	5.4
69.71535	1.1
70.06624	1.3
70.81234	2.1
71.04996	5.6
79.05492	3.0
81.03423	1.8
81.07058	17.2
83.08620	2.8
85.02909	13.5
85.06554	3.2
86.09697	1.7
91.04019	1.2
91.05493	3.8
92.05849	1.4
93.07043	16.5
95.04969	14.8
95.08613	18.2
97.02912	3.4
97.06555	3.1
99.04453	2.7
105.07039	7.5
107.08594	32.7
109.06510	6.4
109.10153	32.8
111.08083	8.9
113.06004	2.2
121.06560	1.5
121.10164	14.6
123.08067	5.8
123.11711	29.2
127.03944	2.0
129.09119	1.3
133.10146	20.1
138.09167	5.5
139.11182	13.4
145.04976	2.4
151.06030	1.4
151.11186	31.9
157.12199	2.4
169.12242	100.0
170.12605	4.0
178.16977	1.4
187.13303	33.3
193.05014	4.6
196.09654	2.6
256.99979	1.4
316.54993	1.4
321.18188	4.0
366.15979	1.4
366.19897	7.6
367.09518	2.1
367.14243	2.6
367.18494	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	366.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01882	0.7
55.05510	8.8
57.03434	2.6
57.07080	3.9
57.42330	0.7
57.80539	0.5
59.05000	1.2
60.82967	0.5
61.02917	1.4
67.05503	18.0
67.58314	0.7
68.09537	0.5
69.03426	5.1
69.07058	5.0
69.95101	0.6
70.06602	0.6
70.09570	1.6
71.04987	8.5
79.05491	4.2
81.03366	1.5
81.07056	81.2
82.07394	2.0
83.08609	2.5
85.02907	11.7
85.06540	7.1
87.04448	0.8
89.06024	2.3
91.05477	2.4
93.07033	9.9
95.04973	5.2
95.08607	17.5
95.09215	0.9
97.02897	2.8
97.10167	10.1
99.04479	1.1
99.08089	1.5
105.07035	3.6
107.08614	5.1
109.02854	1.4
109.06532	3.0
109.10142	4.5
110.05986	0.6
111.08102	3.4
111.08741	0.6
113.06003	1.7
118.06544	6.9
120.08108	15.8
121.10184	0.9
123.08062	1.1
123.11705	80.2
124.12029	2.0
126.07169	0.6
127.03914	1.6
133.10129	6.7
141.12743	4.5
144.08058	3.2
145.04893	0.7
146.05997	16.5
151.11180	18.8
152.10678	0.8
159.08070	1.1
163.07553	0.6
164.07083	0.6
169.12234	100.0
170.05902	0.8
170.12532	3.3
172.08806	3.2
180.10201	8.3
187.11284	4.9
187.13287	83.8
188.07062	10.2
188.13583	3.1
189.05447	1.2
272.56171	0.7
302.13910	1.4
307.13623	0.7
331.17999	0.7
334.16638	1.0
335.70859	0.7
350.13571	1.3
366.24191	2.0
367.16461	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	366.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29426	0.8
55.05509	7.8
57.03433	1.7
57.07065	3.2
59.04982	1.2
61.02923	1.2
67.05164	1.3
67.05502	15.7
69.03419	3.3
69.07065	4.2
69.47381	3.5
71.04988	8.4
79.05486	3.2
81.03394	1.1
81.07055	70.3
82.07385	1.1
83.08656	1.7
85.02902	10.4
85.06541	5.8
89.06028	2.4
91.05483	1.2
93.07040	6.8
95.04986	5.0
95.08607	16.1
97.02882	2.8
97.10161	8.8
99.04475	1.2
99.08065	2.0
105.07035	1.8
107.08614	4.2
109.02873	1.4
109.06510	3.3
109.10158	3.9
111.08091	2.3
113.06019	1.4
120.08127	4.0
121.10143	1.4
123.11702	66.4
124.12021	2.7
133.10100	5.3
141.12752	2.8
144.08092	1.1
145.04970	0.9
146.05991	3.2
151.11174	18.2
155.84111	0.8
169.12233	100.0
170.12532	4.1
172.08871	1.7
180.10222	2.1
181.37608	0.9
187.13287	56.3
188.07027	2.0
188.13576	1.6
243.48154	0.8
277.19302	0.8
283.34564	0.8
295.39252	1.2
296.95056	0.9
367.16354	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1655
Annotation	Suaveolenine
Peak:m/z	Relative Intensity
50.16549	0.4
61.91688	0.4
67.05532	0.8
70.83112	0.5
73.11750	0.5
81.07053	1.3
85.02892	0.5
91.05485	1.4
106.06573	1.4
107.04958	0.9
115.05463	2.0
117.05759	0.7
117.07030	2.8
118.06538	39.3
119.06894	1.0
120.08101	100.0
121.08430	2.8
123.11706	0.6
124.12022	0.8
127.07642	0.5
130.06580	0.7
132.08009	0.6
136.06171	1.2
137.06532	0.7
142.06526	3.2
143.07306	3.8
144.04482	0.9
144.08086	19.9
145.08458	0.9
146.06003	88.5
147.06363	2.7
155.06071	0.8
160.07559	2.6
164.07062	0.9
169.12294	0.7
170.05983	6.5
170.12596	1.1
178.08643	2.2
180.10187	68.7
181.10526	2.7
188.07065	72.9
189.07375	3.4
205.08638	0.9
238.10803	1.3
307.14606	3.9
308.11273	0.8
366.78549	0.6
367.16507	48.8
368.13562	0.5
368.16937	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1883
Annotation	20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol
Peak:m/z	Relative Intensity
50.61251	2.7
52.78541	2.7
56.96562	17.3
57.89178	2.8
59.29417	2.6
69.15308	5.7
69.15710	17.9
80.86081	3.1
81.07051	7.2
84.19780	3.0
84.96984	2.9
97.96785	4.1
110.97562	4.9
119.90973	2.8
175.43935	3.0
199.06432	3.7
213.07988	9.4
225.07745	3.8
229.07448	5.5
231.09067	7.9
241.10870	3.8
251.09546	7.5
255.08990	6.5
269.10611	26.6
280.10052	3.5
287.11630	8.8
331.15814	6.5
349.16739	8.9
367.17856	100.0
368.18173	7.1
385.18927	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	367.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	17.2
55.05508	47.2
56.96564	31.7
57.02686	5.4
67.05499	52.6
69.03427	4.4
69.07065	20.2
69.87070	12.7
79.05488	100.0
79.09778	4.2
81.07056	40.4
83.04970	23.4
83.08627	20.3
85.06526	7.7
91.05479	39.2
93.07037	36.3
95.04984	14.1
95.08603	25.2
97.06522	17.7
97.10179	15.5
99.04472	6.1
99.08118	5.5
105.07016	40.0
107.04967	27.9
107.08592	48.9
109.06513	7.5
109.10165	24.4
111.08091	6.5
111.91379	4.7
113.66876	4.7
117.07018	10.0
119.08572	30.0
121.06550	8.2
121.10149	20.5
123.08054	6.3
123.11686	6.6
125.09625	17.4
129.06938	6.2
131.08571	11.7
133.10138	24.3
135.08060	11.2
135.11688	7.5
143.08548	4.6
145.10184	10.5
147.11688	17.3
149.09622	56.0
159.11736	12.1
169.12294	5.0
173.11778	6.9
173.13330	8.5
179.14310	6.6
187.14809	6.4
189.11179	18.1
199.06474	7.7
209.15387	6.5
217.07600	7.7
227.12929	9.1
229.07516	14.3
229.19601	9.0
247.08499	9.4
251.12483	4.8
257.19086	12.5
275.20044	71.7
289.78659	4.6
331.15491	4.9
349.16980	8.0
349.23709	50.8
349.27469	12.8
367.18576	65.8
367.24240	6.8
368.19159	6.7
368.31223	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	367.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.6
55.05502	4.3
57.07071	1.4
59.05001	1.6
63.14486	1.1
67.05511	6.9
69.07076	7.9
69.41930	6.1
70.78860	1.2
71.04997	10.1
79.05482	1.8
81.07056	35.1
82.07376	1.8
83.08597	1.6
84.08147	12.4
85.02897	4.5
85.06532	4.7
91.05476	2.7
93.07034	6.3
95.04971	1.8
95.08598	33.6
96.08920	1.5
97.06517	1.3
98.23446	2.3
99.04456	21.3
99.08092	7.7
99.77646	1.1
100.04762	1.1
106.06552	2.6
107.08592	5.2
108.08130	1.7
109.06532	1.8
109.10154	6.9
111.08080	75.0
113.06027	1.6
113.09646	28.2
117.13367	1.1
120.08119	1.8
123.11697	28.1
124.11977	1.4
130.08620	4.1
141.12753	7.9
151.11168	17.0
152.11519	1.8
157.12184	1.2
164.07062	4.4
169.12238	100.0
170.12589	7.3
171.13818	3.9
178.08614	2.2
187.13286	17.4
196.09654	6.6
205.14333	22.6
230.48579	1.2
293.14948	9.5
321.18375	1.8
367.14316	1.6
367.18726	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	367.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15987	0.4
52.77877	0.4
55.01867	1.2
55.05507	0.7
57.03451	0.4
57.20112	0.4
64.48241	0.4
67.05493	1.0
68.99778	0.6
69.07057	0.7
70.57821	1.1
79.05476	0.9
81.03437	0.5
81.07045	1.2
91.05476	1.2
93.07059	0.9
95.08608	0.7
97.02213	0.5
97.06538	0.6
105.07017	1.3
107.04963	0.5
109.10161	0.8
111.00834	0.5
111.08083	0.4
117.06976	0.5
119.08543	0.6
123.04485	0.5
123.08118	0.4
127.03854	0.5
133.10159	0.6
137.05856	0.6
153.01831	3.3
161.05959	0.5
165.07021	0.8
167.08559	0.5
170.46635	0.4
175.07561	0.7
178.07745	1.1
189.05530	0.5
189.07030	0.7
190.07764	0.5
191.08528	0.7
194.07301	0.6
195.08031	0.7
202.07774	0.7
203.08598	0.7
205.06479	0.7
206.07341	0.7
207.08119	1.0
208.08871	0.5
213.09192	0.6
215.10664	1.1
218.07234	3.8
219.07977	1.8
220.08803	0.7
221.06018	0.9
226.06310	0.8
231.08032	0.9
233.09520	0.5
234.06737	1.1
235.07523	1.8
236.08295	1.4
237.09010	0.7
241.08597	1.2
246.06802	1.7
247.07532	1.2
248.08493	1.2
249.08978	0.7
250.06302	0.7
253.14397	0.5
261.09052	2.9
262.06076	0.4
263.06976	1.2
264.07864	3.2
265.08392	0.7
265.49808	0.4
274.06198	0.6
276.07690	0.8
277.08636	1.4
278.09296	1.3
279.10028	0.8
281.13559	1.5
283.09625	2.8
289.08630	3.0
292.07245	1.9
293.07959	1.7
305.08179	0.9
307.09561	3.2
308.10339	1.0
309.07837	0.7
317.08020	1.3
320.06866	0.5
335.09140	22.0
336.09534	2.2
337.06891	0.8
349.10599	0.6
349.19766	0.5
367.11740	16.6
367.20901	100.0
368.12198	1.1
368.21106	6.2
368.25168	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
55.05491	0.5
61.15319	0.4
66.99695	0.4
67.05512	0.6
67.34802	0.4
69.69524	0.5
69.69863	1.3
71.04578	0.4
71.04970	0.4
71.31152	0.4
78.26289	0.5
79.05453	0.6
81.07048	1.4
91.05463	0.9
93.07034	0.5
93.07568	0.5
95.08592	0.7
97.10114	0.4
98.22700	0.5
107.08607	0.6
119.08624	0.5
123.08110	0.4
125.09637	0.6
195.09930	1.3
275.20261	0.6
293.21320	0.6
337.23639	0.5
367.12839	2.4
367.24539	100.0
368.24878	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	367.2455
Annotation	2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate
Peak:m/z	Relative Intensity
50.05684	0.4
67.05510	0.5
69.79361	0.9
69.79716	0.9
79.05520	0.5
80.20611	0.4
81.07043	0.6
83.47763	0.4
85.06918	0.4
87.00238	0.4
91.05469	0.7
93.07033	0.8
95.08629	0.5
105.07053	0.8
108.93855	0.5
109.10159	0.4
111.04478	0.6
133.10153	0.4
145.10149	0.5
195.09943	0.8
275.20163	0.8
314.89984	0.4
349.23618	1.0
367.24539	100.0
368.24869	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	367.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.9
56.12745	0.5
61.53039	0.4
66.43371	0.5
67.05490	1.1
69.07072	0.5
69.78973	1.5
79.05473	1.3
81.07049	1.8
91.05460	1.2
93.07047	0.7
95.08611	0.8
95.43766	0.5
98.23434	0.6
105.07016	0.6
109.10129	0.6
119.08592	0.7
133.10115	0.7
145.10100	0.9
149.09686	0.7
159.11656	0.5
275.20016	2.1
349.23697	0.9
367.24551	100.0
368.24884	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	367.2476
Annotation	Betaenone A
Peak:m/z	Relative Intensity
52.04771	1.8
53.03937	4.3
55.01875	16.0
55.05512	28.4
57.03437	17.6
57.07068	2.0
65.03934	4.4
67.05505	58.6
69.03416	4.4
69.07064	25.8
69.93027	5.6
71.04987	3.9
77.03894	3.2
79.05494	50.8
80.05802	2.0
81.03413	3.7
81.07055	100.0
83.04971	7.6
83.08615	15.7
85.06547	5.8
91.05478	44.4
93.07046	40.7
95.04958	12.6
95.08605	38.1
97.06527	19.1
97.10152	6.5
99.08083	2.7
105.07036	45.4
107.04954	9.2
107.07915	3.6
107.08589	31.6
109.06519	12.0
109.10151	19.2
111.08109	3.5
117.07022	11.9
119.08586	29.6
121.06515	4.2
121.10121	20.3
123.08079	6.5
123.11694	8.7
125.09609	6.6
129.06926	4.6
131.08574	17.6
133.10114	24.3
135.08040	5.9
135.11696	10.4
137.09601	8.8
137.13228	2.3
140.08681	1.8
143.08514	2.5
145.10117	19.3
147.11688	21.0
149.09619	13.0
149.13245	6.1
151.11156	3.9
157.10135	5.6
159.11673	13.6
161.13239	6.3
163.11197	10.3
165.12770	4.0
169.10226	2.7
171.10179	4.8
171.11626	3.9
173.09563	3.2
173.13225	6.5
175.11200	4.3
177.12767	3.6
183.11674	4.9
187.11183	2.2
187.14746	2.2
189.11217	4.5
197.13330	1.9
207.10001	5.2
215.18031	2.8
227.12827	2.3
229.19518	2.1
233.18994	2.6
237.77921	1.9
239.17996	4.7
245.13928	2.7
247.20595	5.9
257.19003	10.1
269.17590	4.2
275.20056	64.6
276.20340	2.6
288.20261	2.1
293.21121	7.3
309.20749	2.7
311.22266	2.3
349.23737	26.2
367.24649	80.7
368.25015	7.3
379.98105	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	367.2481
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
53.03934	1.6
55.01864	4.1
55.05264	1.6
55.05513	21.6
57.03438	7.8
57.07061	1.9
58.54971	1.0
59.05011	1.1
65.03957	1.1
67.05506	20.9
69.03416	2.7
69.06709	1.6
69.07066	25.4
69.12108	6.3
71.04987	1.2
71.08631	27.9
78.23828	1.0
78.24288	0.9
79.05496	13.8
81.03405	2.3
81.07059	21.5
83.04987	5.6
83.08618	7.5
85.06518	1.3
91.05476	7.9
93.07053	11.6
95.04955	5.3
95.08607	10.3
95.11694	1.2
97.06527	4.7
97.10164	8.7
99.08095	20.4
105.07009	5.3
107.04949	2.7
107.08606	9.9
109.06519	2.7
109.10184	6.4
111.08036	1.4
111.11766	0.9
111.77656	1.0
117.07014	3.2
119.08577	4.0
121.06490	3.3
121.10114	5.3
123.08038	3.1
123.11703	1.5
125.09604	6.8
129.06911	1.0
131.08546	3.3
133.10135	4.2
135.08006	1.4
135.11678	3.0
139.11186	2.6
140.99425	1.1
141.01054	0.9
145.10123	2.2
147.11673	2.6
149.09615	2.4
149.13248	2.1
151.11180	3.5
153.01962	1.1
159.11726	1.6
161.13232	1.1
163.11195	2.0
164.11977	1.0
165.12727	1.1
167.10730	3.4
177.12762	3.8
179.10707	1.0
183.11662	1.1
189.11244	4.5
195.13802	1.1
209.13173	1.2
247.20572	1.2
265.21448	1.3
275.20114	10.5
293.21091	100.0
294.21426	6.2
331.25894	1.0
349.23297	1.9
349.27023	2.8
367.24750	40.5
368.25131	2.7
368.31326	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	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.0
53.64006	1.4
55.01877	23.4
55.05511	42.3
56.96572	1.5
57.03439	25.6
57.06823	1.5
57.07062	10.0
59.04995	2.1
65.03934	6.1
66.04706	1.4
67.05503	100.0
67.30412	1.5
67.30794	1.3
69.03412	6.5
69.07064	23.9
70.05923	3.5
71.04984	6.8
71.08622	9.5
77.03931	2.0
79.05493	54.2
81.03420	15.2
81.07055	86.5
81.09718	1.3
83.04980	21.0
83.08622	17.8
85.02902	1.9
85.06544	9.9
85.10172	2.6
91.05478	79.1
92.05810	1.8
93.07043	54.9
95.04962	26.2
95.08022	2.5
95.08606	41.0
97.02882	4.9
97.06520	11.0
97.10153	8.3
99.08120	8.4
103.05435	1.6
105.04523	1.9
105.07033	62.3
105.88702	1.6
107.04952	17.6
107.08591	49.4
109.06513	14.4
109.10152	58.4
110.10455	2.3
111.04440	4.1
111.08087	8.8
113.05979	3.1
113.09624	4.3
115.05391	2.4
117.07019	13.6
119.08584	22.4
121.06485	5.8
121.10146	15.0
123.04377	1.6
123.08076	15.5
123.11681	15.2
125.09641	15.5
127.07552	3.0
129.06967	3.7
131.08559	15.9
133.06552	1.6
133.10130	82.8
134.10486	4.5
135.08035	5.7
135.11697	14.9
137.09602	19.6
141.07011	2.9
143.08559	2.0
145.06448	2.1
145.10121	13.7
147.11690	10.2
149.09619	10.4
149.13263	4.0
151.11179	56.2
153.09181	1.6
153.12828	1.7
155.08521	2.3
159.11682	5.4
161.09618	4.5
161.13254	3.2
163.11186	16.1
163.14835	2.2
165.09081	5.2
165.12755	3.7
169.12166	6.9
171.11699	2.0
173.13298	4.3
177.12691	7.5
179.10612	2.6
179.14296	1.9
181.12273	3.0
187.11195	2.2
189.12755	2.3
191.10713	2.6
191.14334	2.2
193.12344	2.8
195.13826	3.5
197.13335	2.4
199.13295	1.8
205.12138	1.5
207.13655	1.5
209.11679	3.4
215.12723	3.1
229.19498	4.3
239.18010	1.8
247.20567	5.6
253.14354	7.5
257.18991	5.7
265.21417	2.0
275.17065	2.5
275.20071	44.3
276.20483	1.8
293.21158	13.9
294.21457	1.8
331.26251	3.5
336.03568	1.6
349.23685	6.7
349.27402	6.2
367.24719	55.4
368.24985	5.5
368.31430	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	367.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51485	1.8
53.03943	2.6
55.05512	23.3
55.88071	2.3
57.07079	14.3
65.03944	2.6
67.05503	35.9
69.03419	4.0
69.07064	34.8
69.18419	13.6
71.04978	7.8
71.08628	10.9
77.03925	3.4
79.05488	31.6
81.07052	82.8
83.04974	7.5
83.08612	18.7
85.06531	7.9
91.04935	4.6
91.05466	38.8
93.07042	68.3
94.07347	2.5
95.04971	27.1
95.08600	100.0
97.06506	10.9
97.10169	5.6
99.08080	13.8
105.07024	76.5
106.07338	3.2
107.08588	59.1
108.08971	2.3
109.06517	16.9
109.10159	46.3
111.08082	5.1
117.07021	13.7
119.08573	70.4
120.08883	2.4
121.06493	7.3
121.10136	46.3
123.08059	27.8
123.11699	25.3
125.05970	3.4
125.09620	4.4
125.16260	2.0
128.06262	6.6
129.07010	6.8
131.08566	45.0
133.10129	49.6
135.08049	16.3
135.11687	28.3
137.09631	8.2
137.13255	25.4
139.11182	2.7
141.06985	4.9
142.07765	9.6
143.08556	17.9
144.09300	9.1
145.10121	46.3
146.07291	4.6
147.08049	6.9
147.11674	22.0
149.09622	15.6
149.13263	16.9
151.11134	3.1
153.12697	5.0
155.08591	6.8
156.09329	7.8
157.10124	34.4
159.08047	4.7
159.11699	34.3
160.12216	2.2
161.09612	32.7
161.13255	92.6
163.11198	5.6
163.14828	10.1
165.06998	2.5
169.10106	11.9
170.10861	3.6
171.11658	20.0
173.09579	5.2
173.13243	20.9
175.11205	10.0
175.14830	25.3
177.12753	3.2
177.16388	3.8
179.08572	7.1
179.14310	32.6
181.10117	7.0
182.10912	3.4
183.11691	13.8
185.09642	3.7
185.13239	13.0
187.14790	15.4
189.16368	10.4
191.14351	3.4
191.18004	4.3
192.58673	2.5
193.10068	3.8
194.10921	5.0
195.11713	9.3
196.12407	3.9
197.13223	13.8
199.14816	10.5
201.12682	4.5
201.16408	6.2
209.13206	17.9
211.14774	8.3
213.12682	5.6
213.16389	4.6
215.17950	3.8
217.15807	2.8
217.19470	6.0
223.14740	5.0
227.14368	12.7
229.19504	8.1
229.62929	2.4
235.14828	2.6
239.17899	3.7
251.20094	9.9
253.19612	2.8
255.17432	4.3
257.18808	4.5
265.19604	5.7
269.18988	3.7
293.21143	8.8
293.28067	3.1
303.26913	9.8
321.27963	2.4
331.26398	37.1
349.27454	96.1
350.27704	4.2
367.26245	10.1
367.29010	3.6
367.33411	36.8
368.34009	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	367.2845
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
53.03941	1.2
55.01869	1.0
55.05514	12.7
57.03412	1.3
57.07074	4.9
67.05507	11.0
69.03426	0.9
69.07070	20.9
69.37244	4.0
71.04996	2.4
71.08636	10.7
72.85730	0.9
79.05507	7.1
81.07060	20.4
83.04986	3.1
83.08627	8.4
85.06564	1.0
91.05474	5.3
93.07058	10.7
95.04981	1.3
95.08607	21.0
97.06555	2.9
97.10174	2.2
99.08100	13.6
105.07018	5.6
107.08605	11.2
109.06529	6.6
109.10165	9.0
111.04445	2.4
111.08089	3.7
117.06998	1.2
119.08589	6.9
121.06519	2.4
121.10168	7.2
123.08071	25.6
123.11683	3.9
125.05985	2.3
125.09652	1.6
131.08566	2.4
133.10133	8.6
135.08078	5.7
135.11716	5.0
137.09636	2.9
137.13297	2.7
139.07570	1.4
145.10138	2.3
147.11711	3.8
149.09648	2.2
149.13268	3.2
151.11200	2.2
151.14790	0.9
153.12729	6.9
159.11713	2.0
161.13257	1.2
163.14856	1.7
165.12772	2.2
167.14401	1.3
169.89119	0.8
175.14911	1.4
177.12862	1.4
177.16451	1.0
179.14305	34.5
180.14616	1.4
181.12257	1.6
189.16393	2.8
191.14371	1.4
193.15860	2.3
219.17455	1.1
223.20717	0.9
233.19077	1.2
251.20117	11.1
252.20546	1.1
293.21118	12.5
293.28461	3.1
303.26767	12.7
313.25253	1.7
321.27982	5.3
331.26312	42.0
332.26706	2.6
343.49359	0.9
349.27374	100.0
350.27722	7.7
350.33972	0.8
367.28424	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	367.2846
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
52.22981	2.2
53.90051	2.4
55.05504	15.8
56.39920	2.4
57.07072	10.6
57.57989	2.8
59.05003	3.4
60.08141	2.3
63.36037	2.3
67.05500	13.7
69.03416	2.7
69.07077	21.0
71.08615	8.3
79.05492	9.8
81.07053	26.2
83.08607	9.7
85.06538	13.3
85.10185	8.1
91.05461	5.3
93.07030	14.5
95.04967	4.1
95.08614	25.9
97.06483	3.0
97.10201	5.8
99.08094	9.0
105.07015	12.7
107.08585	13.6
109.06522	15.6
109.10153	9.5
111.04431	2.4
111.08070	5.9
113.09628	8.0
117.07011	4.0
119.08562	9.7
121.06506	5.1
121.10143	9.6
121.23718	2.8
123.08076	16.7
123.11688	5.2
131.08580	6.7
133.10146	9.9
135.08063	6.8
135.11705	9.2
137.09564	3.5
137.13213	3.7
145.10150	5.5
146.90317	2.6
147.11656	3.5
149.09639	2.5
149.13242	3.2
151.14772	2.6
153.12743	6.5
159.11668	3.8
161.13268	3.8
162.21562	2.4
165.12714	2.9
173.13406	3.1
179.14308	41.7
180.98854	2.6
205.15964	3.0
209.18982	6.8
251.20096	6.3
293.20996	8.1
303.26770	19.2
321.27789	3.5
331.26331	55.0
332.26587	3.0
349.27374	100.0
350.27695	7.1
367.28622	4.4
368.42633	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
56.07599	0.2
57.03139	0.2
57.03427	0.8
61.02918	1.1
69.03424	2.1
69.40628	0.4
69.41029	0.9
71.04999	0.4
73.02909	0.4
81.03421	1.0
81.07053	0.7
83.04982	0.4
85.02901	5.8
87.04459	0.4
91.03961	0.3
93.07058	0.4
97.02883	2.1
99.04462	0.5
107.08585	1.5
109.02885	0.4
109.06570	0.3
111.08110	0.5
122.86658	0.3
125.09660	1.2
127.03918	1.0
132.04448	6.8
145.05011	1.2
153.09065	0.9
160.03954	0.6
161.04744	0.3
166.18562	0.2
171.06564	0.4
171.10167	5.5
178.04991	61.1
179.05336	2.1
188.07161	0.4
189.07507	0.4
189.11214	1.1
206.04486	100.0
207.04820	4.3
255.63376	0.3
270.97931	0.2
368.09735	0.8
368.14227	0.5
369.11511	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.8
57.03434	5.6
67.05473	0.9
69.07053	1.3
70.03323	1.7
71.01350	2.6
71.04979	2.3
79.05486	1.4
81.07050	2.4
81.20067	0.6
83.04977	1.6
84.08127	1.7
85.02907	78.7
85.06116	0.8
85.06549	8.5
86.03232	1.2
91.05474	4.2
93.07026	2.7
95.01318	0.6
95.04984	0.7
97.06523	2.4
103.03926	0.8
107.04908	1.0
107.08582	2.8
109.10130	0.7
111.08051	2.0
113.02349	2.2
117.05756	2.4
118.06536	10.4
120.08099	1.2
124.03947	1.3
125.09634	1.5
129.09105	1.4
131.03386	3.8
132.08090	1.1
134.09650	5.1
135.04422	0.9
135.11653	1.5
136.07578	1.8
137.06000	0.6
145.02858	2.4
145.04822	0.6
146.06006	43.1
147.08018	0.8
151.03845	0.7
151.09908	1.7
153.09093	1.8
153.12740	8.5
167.03378	1.0
171.10190	5.6
171.13800	1.7
174.05501	0.6
177.05504	4.1
178.08630	100.0
179.08997	3.6
188.07043	0.9
189.11246	0.8
204.10210	0.8
206.08096	1.5
238.10652	0.7
248.09196	0.7
272.11078	0.9
290.10178	1.0
292.18979	0.9
306.20532	1.4
308.11279	92.9
309.11621	4.6
336.10703	1.2
368.13416	65.0
368.20657	1.9
369.13950	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	368.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.7
55.05508	13.6
57.03437	8.8
59.04992	9.8
61.02935	6.5
62.92860	3.6
67.05489	19.1
69.03453	4.9
69.07078	21.4
70.06577	5.5
71.04987	5.4
71.43453	4.4
79.05484	25.3
81.07057	40.0
83.04994	20.6
83.08617	4.7
84.04504	5.1
85.02901	54.8
85.06539	6.5
85.07970	3.6
91.05446	18.9
93.07037	61.1
95.04971	5.4
95.08609	84.6
97.02895	8.1
97.06548	9.8
99.08082	5.5
101.06026	4.0
104.33401	3.6
107.08593	56.1
109.06510	15.0
109.10149	10.2
111.04442	12.8
111.08087	21.9
113.09645	36.6
115.03936	4.1
117.03378	4.3
118.06543	10.6
120.08119	7.2
123.08073	11.4
123.11717	24.9
124.07578	5.1
125.09627	5.5
127.03966	4.6
127.07571	8.8
129.05467	79.0
129.06320	6.2
130.05019	35.5
131.03465	4.4
131.10707	13.8
135.08018	9.4
135.11688	29.5
141.09181	8.9
145.02896	8.4
146.06009	18.2
150.09158	8.8
151.09924	31.4
152.10701	6.0
153.09105	52.3
153.12761	25.0
159.10097	5.1
163.03879	4.9
164.10684	13.1
171.10167	100.0
171.11568	7.0
171.13786	43.3
172.10471	6.1
177.05469	13.0
178.08661	34.5
189.11223	49.3
191.03510	3.8
193.08572	5.5
206.00227	3.7
236.09206	28.8
240.08693	9.0
248.16417	5.5
249.06221	4.1
292.19110	50.1
306.20767	9.9
308.11255	25.5
336.10837	11.2
368.13699	26.6
368.21048	28.5
369.16733	20.5
369.20511	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	368.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93440	0.6
53.03944	0.6
55.01860	0.7
55.05505	3.5
57.03431	1.3
61.02922	1.0
61.39450	0.6
67.05511	3.3
69.03422	2.5
69.14658	3.3
70.06576	0.8
79.05500	4.7
81.03402	1.3
81.07054	11.7
83.04974	2.6
83.08614	2.0
85.02910	7.4
85.06505	0.6
87.04469	0.8
91.05484	2.4
93.07045	2.8
95.04950	1.5
95.08637	3.1
97.02887	3.0
97.06528	1.5
97.10156	1.4
98.97594	0.7
99.04443	0.7
105.07003	1.0
107.08592	27.9
108.08965	1.0
109.06522	3.4
109.09493	0.7
109.10142	3.5
111.04398	0.8
111.08080	2.8
113.05994	0.8
119.06071	0.8
123.08084	0.8
125.06006	1.5
125.09631	26.5
126.10024	0.7
127.03885	1.0
127.07494	0.8
129.05452	0.8
132.04468	2.3
135.04367	0.6
135.08080	3.6
145.04913	1.1
150.09122	0.9
153.05505	0.7
153.09106	12.6
157.40919	0.6
163.03842	1.4
171.06561	1.9
171.10164	100.0
172.10481	3.7
177.05510	0.8
178.04996	17.6
179.05382	0.9
189.07584	1.0
189.11237	11.6
206.04491	32.4
207.04677	1.2
226.79968	0.6
368.09665	0.9
368.13828	2.1
369.11548	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83755	1.1
55.05518	2.5
57.07072	3.0
59.04986	1.1
67.05508	1.8
69.03444	2.1
69.07061	3.9
69.85484	3.2
71.04982	5.1
73.06578	1.5
79.05488	3.2
81.07052	6.9
84.08124	1.6
85.02914	4.6
85.06546	100.0
86.06860	2.1
87.69367	1.1
93.07040	11.4
95.04961	1.4
95.08604	2.7
97.06529	19.2
103.07586	4.5
107.04959	1.1
107.08597	7.8
109.10186	3.0
111.04452	1.3
118.06564	1.5
123.11653	1.3
130.49889	1.1
135.04448	2.7
135.11700	9.3
136.07584	2.0
136.12129	1.1
143.10750	1.1
145.02869	2.2
146.06071	2.8
147.08070	1.2
149.06075	1.1
153.09175	1.5
153.12746	36.2
154.13049	2.6
164.07063	2.5
165.95486	1.1
171.10168	6.1
171.13789	7.2
177.05466	5.9
178.08675	2.8
182.08147	2.7
188.07024	1.3
189.11263	1.9
203.71970	1.1
212.06276	1.0
230.10071	1.3
247.12027	1.1
272.11139	4.7
282.09464	1.3
290.12177	1.2
300.10736	2.9
308.11551	1.9
318.11685	4.0
328.50970	1.1
336.12720	3.9
350.12253	1.2
368.13318	3.0
368.19571	1.4
369.15146	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	368.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
55.01875	5.1
55.05511	20.5
56.21115	1.7
56.96579	2.2
57.03440	3.8
58.06610	7.7
60.04528	26.7
67.05503	16.3
68.05061	2.1
69.03445	4.0
69.07066	14.7
69.17297	2.1
70.03322	4.2
71.05010	8.0
72.04530	2.6
73.07230	2.0
74.16886	2.4
79.05488	16.3
80.05881	1.9
81.03419	4.9
81.07052	22.5
81.36955	2.3
83.05026	6.0
83.08627	10.1
84.08160	13.2
85.06560	2.7
86.09699	36.3
86.10201	2.3
88.07658	4.3
91.05503	7.3
93.07037	19.8
94.06590	2.2
95.04964	13.3
95.08633	8.5
97.06517	11.6
97.10178	21.3
98.23338	3.3
100.07638	2.7
105.07055	8.5
106.06621	2.9
107.04993	3.3
107.08587	16.6
109.06539	6.6
109.10178	3.2
110.09724	2.0
111.04460	4.1
111.08115	3.4
112.07597	31.0
112.08286	2.2
113.06033	4.4
115.28651	1.9
117.07039	4.0
119.08640	4.5
121.06517	5.0
121.10177	9.1
122.09683	13.0
123.08125	4.8
125.09648	12.0
128.10716	36.8
129.07028	3.6
131.08591	5.2
133.10085	2.3
135.08110	4.0
135.11662	4.6
138.12828	2.4
145.10158	4.0
149.09688	2.7
156.10309	4.7
159.11734	3.2
161.09657	3.3
163.11148	2.7
172.09804	7.4
177.12787	3.5
180.13916	7.8
187.11281	4.9
189.11218	17.0
195.13930	2.7
208.10411	3.8
223.13383	6.7
229.07620	5.9
247.08653	3.9
272.20227	3.2
273.18436	10.4
290.21295	8.9
291.19470	14.6
308.22272	20.5
350.23221	16.4
351.18503	4.3
368.24567	100.0
369.19827	17.5
369.24860	7.8
387.20673	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01864	2.2
55.05512	13.4
56.05014	0.7
57.03451	1.6
57.07067	0.8
58.06604	5.0
60.04526	16.4
61.44536	0.7
67.05502	10.7
68.05006	0.8
69.03437	3.4
69.07066	8.4
70.06590	1.9
71.05000	6.2
71.66418	0.8
72.04533	0.7
77.06773	0.6
79.05484	12.1
80.05024	1.4
81.03423	2.0
81.07056	10.9
82.06590	1.3
82.07380	0.7
82.29597	0.7
83.04975	2.3
83.08620	7.8
84.08152	6.0
85.06556	3.3
86.09703	21.8
86.10223	1.5
88.07615	2.8
91.05484	4.9
93.07043	10.6
94.06572	1.4
95.04980	4.4
95.08593	5.1
96.08121	2.5
97.06518	1.4
97.10164	13.6
100.07597	2.1
105.07012	4.6
107.04963	1.9
107.08609	6.1
108.08132	0.8
109.06528	3.9
109.10143	2.0
110.06038	2.4
110.09756	1.3
111.08118	1.0
112.07600	18.4
113.06002	1.9
117.06995	2.1
119.08602	2.2
120.08102	1.0
121.06514	1.1
121.10149	4.9
122.09650	6.4
123.08067	3.0
124.07534	1.1
125.09653	9.9
126.09135	0.8
128.10716	22.9
130.08618	1.6
131.08549	3.0
134.09668	1.0
135.08073	3.1
135.11708	2.0
136.11238	1.0
137.09634	1.1
138.12772	4.0
143.08556	1.1
143.10623	1.2
145.06520	1.2
145.10130	2.1
146.09631	1.2
148.11240	1.3
153.01805	1.0
154.08626	8.8
156.10208	1.2
157.10075	1.5
159.11681	2.6
163.11142	1.0
169.10201	0.9
171.11716	1.0
172.09692	10.0
177.12766	1.0
180.13831	12.0
187.11208	1.6
189.11197	9.9
189.12784	0.8
217.15939	1.2
221.15369	2.4
222.15053	0.9
223.13258	4.6
238.17923	0.7
260.13980	0.8
269.45132	0.7
272.20148	1.4
273.18411	5.8
290.21124	6.4
291.19403	6.8
308.22171	10.5
332.22269	1.9
350.23254	19.1
350.27570	1.2
351.23593	0.8
368.12018	1.7
368.24329	100.0
369.24768	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	368.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30449	1.2
55.01881	2.1
55.05500	8.5
56.96559	1.5
57.07060	3.4
67.05486	7.6
69.03432	4.2
69.07072	8.3
72.04516	80.4
74.84546	1.4
79.05495	8.7
81.07054	6.9
83.04971	2.1
83.08595	1.8
91.05437	3.2
93.07035	15.4
95.04976	4.5
95.08623	4.0
97.02885	12.6
97.06530	3.4
97.10178	3.5
99.08134	1.7
100.07620	2.3
101.09669	1.5
105.07021	3.8
107.04937	2.0
107.08612	6.0
109.10173	4.0
111.04444	9.1
113.05978	3.3
114.09179	8.4
119.08636	3.1
121.05754	1.6
121.06489	9.9
121.10125	11.5
123.04424	22.0
123.08044	1.6
125.05945	1.9
128.10728	4.3
131.08545	10.1
137.05986	1.5
139.11205	2.9
142.12238	2.2
147.08017	3.6
149.09624	14.8
150.08174	1.3
151.11218	1.4
161.13264	5.2
167.10677	17.4
171.11615	2.3
184.16965	60.3
185.17235	2.1
189.12729	4.2
202.18013	100.0
203.18365	2.5
207.13814	1.7
212.54385	1.3
217.12292	1.7
235.13287	3.2
244.21729	1.2
253.14333	7.5
262.18039	2.3
280.19073	48.6
281.19406	4.4
338.19351	1.5
345.13763	2.7
350.26944	2.5
368.13080	4.3
368.28217	10.7
369.20023	3.7
376.85800	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	0.4
67.05481	0.5
69.03445	0.5
69.07067	0.6
79.05513	0.5
81.07031	0.4
85.02892	0.9
85.39095	0.4
93.07039	1.4
95.08594	0.5
107.08590	0.6
108.08913	0.5
111.04484	0.4
111.08105	0.8
114.10332	0.4
122.07140	0.5
130.04938	0.4
135.68851	0.3
137.05904	0.6
153.09135	1.5
154.09438	0.7
167.03596	0.5
169.06895	0.4
171.10211	1.2
172.10510	1.5
174.07597	0.5
177.05470	1.0
179.03391	0.9
185.04199	3.0
191.03119	0.6
203.05219	0.5
206.05490	3.7
207.06285	7.2
226.17378	0.4
338.09705	0.5
369.11566	100.0
370.11938	6.1
370.16324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1183
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
51.02383	0.3
53.03943	0.5
55.01858	0.6
55.05506	0.7
58.24198	0.2
61.01143	0.6
61.02921	0.2
65.03938	1.0
67.05508	3.4
69.03436	2.5
69.07067	0.4
69.20277	1.3
70.06602	0.2
70.79134	0.2
71.01357	0.4
73.02911	0.6
77.03932	1.2
79.05495	6.3
81.03403	0.8
81.07050	1.0
81.82063	0.2
83.01338	0.8
83.04984	4.4
84.08149	0.4
85.02906	2.3
86.09698	0.6
87.00811	0.5
89.03896	1.1
91.05484	1.7
93.03406	1.3
93.07040	1.4
95.01288	0.3
95.04968	19.1
96.05284	0.4
97.02895	4.4
97.06535	1.3
103.05479	1.2
105.04507	1.3
105.07031	0.7
105.92799	0.2
106.06555	0.4
107.04951	8.3
107.08576	0.3
108.05267	0.3
108.08138	0.3
109.02875	2.7
109.06511	0.8
111.04443	5.8
115.05409	0.3
117.03371	1.5
117.06995	0.3
118.06522	1.5
118.08928	0.2
119.08598	0.4
120.08112	0.6
121.02871	0.8
121.06490	1.8
123.00790	0.4
123.04419	4.7
123.08050	0.3
123.11665	0.2
124.07584	0.6
125.02357	3.5
125.06004	1.7
127.03954	0.3
128.03391	0.2
129.05469	2.3
130.21971	0.2
131.04941	0.6
133.02844	0.4
134.03654	0.3
135.04413	100.0
136.04744	2.9
137.05940	0.4
138.09160	0.4
139.03888	2.8
139.80769	0.2
144.08078	0.7
145.02786	1.5
146.06000	3.9
147.04495	0.4
147.06458	0.3
149.05963	3.6
151.03889	3.2
153.05475	7.7
157.04980	2.4
159.04408	0.5
163.03900	3.0
164.07077	1.0
165.05489	0.3
165.07405	0.8
170.05914	0.2
171.06508	0.8
171.91541	0.3
175.06049	0.6
177.05469	23.8
178.05812	0.9
182.08163	0.5
188.07056	3.2
189.12726	0.3
195.06525	10.2
196.06879	0.6
198.11301	0.8
207.13821	0.6
213.07558	0.4
217.07056	2.9
245.06633	0.3
256.70694	0.2
294.09720	0.4
295.10071	1.7
299.07663	1.2
333.09900	0.2
351.10788	3.5
352.11212	0.2
369.11649	10.0
369.15262	8.5
370.11743	0.6
370.15790	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1336
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
50.48729	0.5
54.03274	0.5
55.01715	0.5
55.01937	1.1
55.25800	0.4
57.03497	0.7
79.05590	0.8
81.07130	0.7
82.45415	0.4
86.25083	0.5
91.05582	1.2
95.05029	0.6
98.23513	1.0
103.05672	0.6
105.07136	1.0
107.05097	1.5
115.05563	0.5
117.03630	0.5
117.07182	0.6
119.08701	0.6
121.06623	0.5
131.05081	2.0
137.05957	3.3
145.06628	1.1
145.10194	0.5
153.05588	0.5
154.07591	0.5
157.06619	0.7
159.04488	0.6
161.06133	1.4
164.06947	0.5
165.07152	1.7
166.07861	1.1
167.08690	0.9
169.06448	0.6
175.07671	0.9
177.05640	0.6
177.07091	0.8
178.07755	3.0
179.08691	1.8
181.05141	0.5
181.06624	1.3
187.07684	1.0
189.07158	1.5
190.07840	1.7
191.08575	3.4
192.09250	0.8
193.06575	1.3
194.07256	4.8
195.08241	1.5
199.07722	1.4
202.07742	3.8
203.08525	3.5
204.09302	0.6
205.06509	3.0
205.10274	0.7
206.07393	1.8
207.08098	3.0
207.09897	0.6
207.13884	0.5
208.08910	1.4
209.06099	0.9
209.09798	1.5
211.07588	0.7
215.08794	1.0
217.06644	0.7
218.07201	2.9
219.08052	6.7
220.05267	0.5
220.08846	2.9
221.06053	2.2
221.09616	1.1
222.06735	3.5
223.07584	2.9
224.08383	0.7
230.07372	1.2
231.08058	5.7
232.08743	2.7
233.05937	2.3
233.09654	1.0
234.06735	2.4
234.10379	0.7
235.07533	6.5
236.04721	0.6
236.08374	2.1
237.05620	0.7
237.09087	4.4
238.06331	1.6
238.10016	0.8
239.07169	1.3
245.09686	1.1
246.06807	1.0
247.07565	6.0
248.08319	6.6
249.05577	1.4
249.09035	4.1
250.06223	2.8
250.09911	1.0
251.07025	4.5
251.10777	1.4
252.07825	2.9
253.08621	1.6
257.20599	0.5
258.06924	0.6
258.69373	0.6
259.07672	1.9
260.08350	1.5
261.05820	0.7
261.09158	3.5
262.06387	1.0
262.10034	2.2
263.07098	2.0
263.10672	1.9
264.07776	3.4
265.08606	14.4
266.06161	0.9
266.09430	4.2
267.06464	0.8
267.10272	1.1
273.09128	0.7
275.07141	1.8
276.07822	3.6
277.08734	2.2
278.05862	1.2
278.09457	2.1
279.06628	3.4
279.10190	4.8
280.07547	0.6
280.10898	1.2
281.08374	0.7
281.11359	0.9
282.08908	0.9
283.09625	0.8
289.04938	0.6
290.09244	1.2
291.06796	1.1
291.10147	16.3
292.10532	1.3
293.08072	6.2
294.08755	5.7
295.09564	2.8
304.07324	0.8
305.08032	0.7
307.09689	4.7
308.10455	2.6
309.11194	12.8
310.11722	1.3
311.09021	1.4
311.12515	0.8
319.09689	6.6
322.08295	2.6
322.19376	0.5
323.09195	1.0
325.10773	0.5
337.10690	100.0
338.11176	10.6
339.12067	1.7
341.13879	0.6
358.93277	0.5
369.13287	33.0
370.13611	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1334
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
55.01863	2.2
55.26596	0.7
57.03421	0.8
62.67129	0.5
67.05509	1.0
68.68739	0.6
69.03406	1.3
74.95750	0.7
79.05474	1.0
81.07050	1.4
83.89847	0.6
86.00657	1.2
91.05462	2.4
93.07050	0.7
95.04961	1.5
98.22689	1.2
103.05460	1.0
105.07009	1.7
106.06520	1.5
107.04970	2.1
107.08603	1.2
108.08076	0.8
109.10136	0.7
115.05408	1.0
116.01665	1.4
119.04961	0.8
119.08534	1.0
128.07031	0.8
129.07016	1.0
131.04906	2.4
137.06003	2.4
139.03867	4.6
145.06447	1.3
147.04358	1.1
147.11784	0.8
148.07639	1.2
152.06131	0.6
153.05411	0.7
155.04948	0.8
159.04498	1.0
161.05963	0.7
165.05502	1.7
165.07024	2.7
166.07800	1.6
167.07161	0.8
167.08545	1.0
167.11180	0.6
169.04388	1.2
169.06146	2.0
173.05989	0.6
177.05470	0.9
177.06972	1.5
178.07782	2.7
179.08536	1.9
181.06456	1.7
189.07036	2.1
190.07773	2.3
191.08624	4.2
192.09280	0.8
193.06532	1.3
193.10110	1.0
194.07240	5.6
195.08113	2.3
202.07713	4.8
203.05388	1.5
203.08574	5.1
204.09262	1.4
205.06447	4.3
206.07251	2.5
207.08090	5.1
207.09810	1.3
207.13782	6.2
208.08795	1.4
209.05994	0.8
209.09589	2.7
210.06664	1.2
211.07581	1.2
215.04874	8.3
215.08620	1.3
217.06537	1.1
218.07243	4.5
219.08038	8.1
220.05260	0.9
220.08847	5.3
221.05963	3.5
221.09572	2.5
222.06775	5.4
223.07541	3.5
223.11211	0.8
224.08257	1.1
225.09172	0.8
230.07178	0.9
231.08060	7.1
232.08784	3.4
233.06036	3.1
233.09564	1.6
234.06755	3.5
235.07498	8.5
236.08272	4.2
237.05446	0.9
237.09126	6.9
238.06290	2.2
238.09883	2.3
239.06973	1.1
245.05971	0.9
245.09656	1.8
246.06764	1.5
247.07555	8.5
248.08269	9.8
249.05501	1.4
249.09018	5.3
250.06241	4.2
250.09801	2.0
251.06961	6.0
251.10739	1.9
252.07712	3.2
253.08746	1.7
259.07526	2.4
260.08365	1.3
261.05679	1.2
261.09128	3.8
262.06262	1.2
262.09888	2.4
263.06967	3.7
263.10721	3.4
264.07828	3.9
265.08597	17.5
265.11249	1.3
266.05942	1.4
266.09290	6.4
267.10248	1.0
275.07056	1.8
276.07706	4.6
277.08615	3.8
278.05753	2.1
278.09329	3.5
279.06857	5.0
279.09924	5.4
280.07208	1.2
280.10895	1.5
281.11685	1.3
282.08875	1.3
283.09653	1.0
290.45145	0.7
291.06854	1.1
291.10120	16.7
291.13242	1.3
292.07425	1.2
292.10675	1.8
293.08102	8.6
294.08838	6.2
295.09567	3.0
305.08142	1.5
307.09689	6.0
308.10306	3.4
309.08115	0.5
309.11157	15.9
310.11780	1.0
311.09100	1.9
311.12646	1.3
319.09576	7.6
322.08392	3.8
323.09103	1.5
325.10773	0.7
337.10699	100.0
338.11224	11.3
339.12103	2.0
369.13702	29.6
370.13721	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	369.1437
Annotation	Aquiledine
Peak:m/z	Relative Intensity
57.77483	2.7
65.73729	2.6
66.52883	2.6
69.07063	4.1
69.12645	2.8
72.70103	2.6
96.53602	2.9
105.47473	3.1
277.79745	3.2
316.62387	3.0
319.86240	2.9
329.14212	3.6
347.15302	6.5
362.38141	3.4
368.31458	16.6
369.14389	100.0
369.24332	4.5
369.31937	14.3
370.14606	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	369.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.7
61.03222	0.9
61.11366	0.8
61.76614	0.8
61.97483	0.8
62.98269	4.7
67.05519	4.8
69.07063	2.6
69.65173	3.6
70.08459	0.8
71.08620	2.2
71.59389	0.9
72.04509	4.4
77.96955	7.7
79.05502	3.1
81.07055	6.4
83.05009	1.6
83.08593	1.6
85.06523	1.1
91.05485	3.9
93.07031	5.6
95.04967	2.8
95.08618	3.4
97.06534	1.7
97.10172	1.9
99.08111	2.0
103.98505	4.0
105.07037	2.2
107.04955	1.2
107.08567	2.1
109.10152	1.4
111.08067	0.9
116.99261	3.8
117.07026	1.1
119.08559	2.0
121.10181	2.3
123.08041	1.0
125.09622	1.4
131.00827	1.2
131.08611	1.6
133.10115	1.2
136.12816	1.0
145.02365	2.1
145.10104	2.0
147.11749	1.8
151.11194	3.4
159.11676	1.1
175.11194	1.3
184.17003	2.7
185.17314	1.9
187.06982	1.3
202.18039	3.1
203.18411	2.0
227.10159	1.5
277.21609	4.2
282.15628	2.0
295.12808	11.3
311.12289	1.2
323.12292	100.0
324.12543	6.1
351.15323	3.5
351.25208	2.2
352.16525	1.4
369.16425	19.2
369.20590	1.4
369.24274	1.4
370.16946	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.6
56.96568	30.4
61.11261	2.9
63.15631	2.8
67.05505	3.1
69.07070	2.9
70.10077	8.3
80.21198	2.7
83.08603	4.4
85.07738	2.6
97.10148	4.0
97.96815	2.8
98.23380	3.4
110.97574	3.9
128.98607	4.0
137.02766	4.0
149.36313	3.4
161.15755	2.5
185.04843	3.6
187.44989	3.3
195.06831	3.1
199.06413	7.4
213.07980	11.7
217.07585	6.5
225.07922	3.4
229.07574	7.7
231.09070	9.7
239.09534	7.1
241.11102	9.6
243.09279	3.7
244.75697	3.5
247.08467	5.1
251.09598	6.3
256.87836	2.9
259.12161	7.5
269.10635	43.1
287.11609	15.1
333.17310	16.8
351.18384	32.3
369.19641	100.0
370.20029	5.9
387.20493	61.7
388.20645	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	369.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.2
55.05513	8.4
57.03424	5.8
57.07061	2.8
58.02110	2.0
59.05003	18.0
64.19947	1.6
64.85077	1.6
66.56940	1.8
67.05504	16.6
69.03427	8.7
69.07066	28.2
70.06599	2.7
71.04990	2.8
71.44938	1.7
79.05493	7.6
81.03448	3.2
81.07052	12.3
83.04988	7.2
83.08627	4.0
84.04482	9.3
84.08143	4.1
85.02901	30.3
85.06547	6.1
87.04461	10.7
91.05497	3.7
93.07040	16.2
95.04953	4.0
95.08604	100.0
96.08952	4.2
97.02893	3.4
97.06527	9.9
102.05550	6.8
105.07037	2.8
107.04957	6.4
107.08585	10.6
108.08936	2.4
109.02831	2.4
109.06517	2.3
109.10171	5.8
111.04464	4.0
111.08078	4.3
113.09637	84.3
114.09972	2.3
115.07573	5.3
117.03385	1.9
118.06622	3.0
123.11706	6.6
125.09631	2.0
127.03895	2.2
129.05516	5.5
130.04994	63.6
131.10677	68.3
133.02863	4.6
135.04433	6.8
135.11694	8.3
136.06181	3.7
139.03874	2.6
145.02859	6.5
146.05994	8.3
148.06169	6.7
148.07414	1.8
151.03960	5.6
153.09109	2.4
153.12761	6.4
157.05141	2.1
161.02335	2.3
164.06979	2.2
165.05409	2.2
171.10161	4.8
171.13792	79.1
172.10583	3.7
176.07126	2.7
177.05479	13.7
178.08609	13.7
179.03365	12.1
189.14899	7.1
190.11575	4.4
196.09731	12.0
202.10893	2.3
204.10147	2.3
207.15866	13.9
220.11980	2.7
222.07605	3.6
234.55022	2.1
236.09254	10.0
238.12996	15.2
240.08710	14.7
244.44542	1.9
276.23685	2.3
352.10287	2.8
369.11642	18.5
369.15491	41.8
370.11325	4.3
370.15939	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	369.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01865	4.7
55.05517	9.9
55.61525	2.0
56.05016	2.4
57.03441	6.0
57.07067	2.3
59.05000	20.8
62.71673	2.3
66.41151	2.2
67.05502	18.2
69.03427	9.7
69.07068	28.9
70.06591	3.2
71.04989	4.8
71.44437	2.6
74.24147	2.4
77.00355	2.0
77.44113	2.0
79.05494	7.4
81.07057	15.6
81.94032	2.1
83.04977	5.7
83.08630	8.9
84.04508	15.4
84.08144	4.6
85.02902	47.7
85.06549	7.0
86.06077	2.2
87.04474	9.1
91.05466	5.1
93.03437	2.0
93.07047	18.3
95.01346	3.2
95.04981	7.9
95.08601	95.0
96.08987	3.6
97.02880	2.9
97.06535	12.3
99.08135	2.6
102.05553	9.6
107.04977	6.5
107.08576	12.9
108.08132	2.2
108.08922	3.1
109.06522	7.2
109.10152	11.8
111.04420	3.6
111.08063	4.5
113.09642	100.0
114.10010	3.9
115.07590	4.9
118.06553	4.7
120.08073	2.5
123.04424	4.5
123.11716	6.2
124.03966	2.6
124.07575	3.8
125.02453	2.0
127.03908	3.3
128.08084	2.5
129.05492	8.4
130.04997	95.0
130.48607	2.3
131.05260	3.4
131.10674	68.3
132.10989	4.0
133.02861	6.5
135.04442	8.5
135.11676	6.5
136.06203	3.6
137.06017	6.0
139.03957	2.8
145.02873	4.7
146.06027	10.3
148.06200	4.3
150.09169	3.4
151.09958	9.2
153.09015	2.2
153.12767	9.7
154.09605	2.7
161.35753	2.2
162.05507	2.2
164.07103	3.2
165.05511	3.9
166.08725	2.9
167.07098	2.5
171.10181	4.6
171.13806	94.8
172.10481	6.1
172.14154	5.0
176.07068	3.5
177.05447	7.3
178.08644	24.7
179.03416	19.0
179.08986	2.7
189.14946	7.3
191.03186	2.2
193.08453	2.8
196.09679	16.9
206.07753	2.2
207.14078	2.7
207.15839	12.3
209.08011	2.5
213.64891	2.7
222.07637	5.2
236.09212	16.7
238.12930	20.4
240.08644	23.3
283.08130	3.7
326.12445	3.9
351.11899	3.4
369.11661	33.9
369.15646	52.2
370.11035	2.6
370.14899	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45715	0.5
55.01858	4.7
55.05500	6.1
57.03436	2.9
57.07061	1.6
61.99069	0.6
67.05500	6.4
69.07063	5.6
69.38374	1.3
69.38760	1.5
71.04977	0.8
71.08609	1.1
79.05495	6.6
81.07049	25.6
82.07368	1.2
83.04981	3.0
83.08602	3.3
85.06549	0.7
91.05482	3.4
93.07043	5.5
95.04993	1.0
95.08598	6.1
97.06506	1.8
97.10147	0.8
105.07027	4.4
105.76860	0.6
107.08584	4.9
109.06509	10.8
109.10123	3.8
111.04436	16.3
111.08054	1.6
118.06633	0.6
119.08564	5.0
121.10142	4.7
123.08063	2.1
123.11681	2.2
125.05980	6.3
125.09631	0.7
129.06961	1.2
131.08543	2.6
133.10098	3.9
135.08063	3.0
135.11684	4.5
137.05963	100.0
137.13260	1.8
138.06335	3.3
143.08554	1.3
143.54393	0.6
145.10115	1.9
146.06029	1.3
147.08034	2.3
147.11679	6.0
149.09610	4.6
149.13266	1.4
151.07547	3.0
151.11160	1.5
157.10112	2.1
159.11662	1.5
160.20503	0.6
161.09615	6.1
161.13264	2.2
162.10191	0.8
163.11174	3.2
163.14790	1.2
165.09096	1.9
165.12650	0.8
167.10654	0.9
171.11606	0.9
173.13232	0.8
175.11177	6.3
175.14809	1.1
177.08995	0.7
177.12787	1.0
179.10693	1.9
188.07048	0.8
189.12706	1.6
193.12138	1.2
203.17926	6.5
209.11446	1.2
213.16362	2.0
221.18985	1.6
231.17445	8.3
233.11778	0.9
241.15874	1.1
249.18509	11.8
251.67300	0.6
259.16983	0.7
277.17963	74.8
278.18262	4.3
295.19003	11.4
296.19409	0.8
318.34027	0.6
330.27176	0.8
351.21625	12.0
352.21732	0.8
369.12936	0.9
369.22556	8.6
370.16309	0.8
370.23007	0.9
377.96454	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26209	0.4
55.05505	0.6
57.07063	0.4
64.66209	0.4
67.05489	0.6
69.07071	0.7
69.85622	1.3
74.98396	0.4
79.05466	1.0
81.07028	1.5
83.96295	0.5
86.12894	0.4
86.24097	0.5
93.07043	0.8
95.08585	0.9
97.32944	0.5
109.10175	0.5
115.39097	0.4
131.08583	0.5
134.76833	0.4
165.12735	0.7
165.62056	0.4
229.25699	0.5
295.21918	0.9
333.24084	0.5
351.25369	0.7
369.26105	100.0
370.26425	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	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.8
55.01887	8.4
55.05514	42.4
57.03434	16.1
57.07092	11.6
63.14888	4.3
63.51532	4.1
66.68288	4.7
67.05500	100.0
69.07076	20.2
70.11105	13.3
71.04985	6.4
71.08630	37.0
72.99614	4.8
77.61845	4.6
79.05489	66.5
81.03414	8.0
81.07054	70.9
83.04990	10.8
83.08614	20.2
84.81953	5.2
85.06563	9.7
91.05478	39.0
93.07046	60.3
95.04976	20.4
95.08596	56.8
97.06530	7.3
97.10185	19.2
99.08080	24.7
105.07031	29.5
107.04952	9.2
107.08593	54.8
109.06532	10.6
109.10162	44.9
111.08096	6.6
117.07032	14.4
119.08562	35.6
121.10149	29.5
125.09645	19.8
131.08566	8.3
133.10112	29.7
135.08031	5.6
135.11691	41.6
137.06004	6.1
143.08533	9.8
145.10107	7.0
147.11693	16.1
149.13272	10.5
150.39383	5.7
151.11166	17.5
153.05487	4.8
157.10153	7.5
158.56967	5.0
159.11720	10.2
161.13257	14.8
163.11186	7.6
171.11685	5.3
173.13274	9.2
175.14932	4.9
178.87155	4.6
179.14287	57.3
181.12267	4.5
185.13327	5.2
189.11198	14.9
209.11722	16.0
212.02353	5.0
225.77815	5.0
227.12718	6.8
228.58354	5.1
237.11220	24.7
257.02173	5.3
259.20541	16.4
277.21570	67.8
293.17532	17.1
351.25296	80.8
352.25543	6.6
369.20038	16.5
369.24155	10.7
369.31607	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	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
55.01870	10.8
55.05511	61.3
57.03436	23.6
57.07078	7.9
57.73274	1.8
59.04984	2.0
65.03925	3.5
67.05505	96.9
68.05823	2.9
69.03418	2.2
69.07063	36.6
69.28826	10.9
71.04987	7.3
71.08631	44.9
77.03901	2.5
79.05493	60.6
81.03430	8.9
81.07054	100.0
82.07391	2.3
83.04976	17.5
83.08620	35.8
85.06544	7.4
85.10165	2.2
88.59040	2.2
90.97836	1.8
91.05478	49.7
93.07044	73.9
95.04974	20.0
95.08604	46.6
96.09011	1.7
97.06541	14.4
97.10163	23.7
99.04479	2.2
99.08092	40.4
105.07030	34.8
107.04944	4.2
107.08595	51.1
108.08946	2.6
109.06503	7.2
109.10138	19.6
111.08089	13.5
113.09645	4.3
117.07019	13.3
119.08591	19.6
119.21394	2.1
121.06493	4.0
121.10154	24.5
123.08065	2.6
123.11701	8.5
125.09618	20.9
129.07016	4.1
131.08566	12.7
131.95309	2.0
133.10133	22.3
135.08066	5.4
135.11693	22.6
137.09593	6.0
139.11160	3.9
143.08574	4.5
145.10097	11.5
147.11662	17.5
149.09572	2.4
149.13260	25.2
151.11176	43.0
157.10146	5.4
159.11684	12.3
161.09656	2.4
161.13257	17.5
163.11206	15.5
163.14771	2.7
165.12738	10.4
171.10233	3.2
171.11620	4.0
173.11739	14.2
173.13164	3.7
175.11203	2.5
175.14857	5.6
177.05498	4.1
177.12755	8.7
178.06328	3.8
179.14316	10.9
185.13208	4.2
189.11217	22.8
195.13779	15.8
199.14751	3.8
203.14215	2.5
213.14871	2.5
221.15417	3.1
227.12764	12.7
229.14420	2.6
231.21031	3.9
233.11688	9.5
241.19423	8.7
245.13821	6.5
249.22220	2.9
253.18045	7.5
259.20526	14.8
263.86151	1.9
269.17456	55.9
270.17804	2.4
270.53531	2.1
277.21628	75.7
278.21811	3.7
295.22577	4.2
351.15643	2.6
351.25262	54.9
352.25717	4.2
369.16409	4.4
369.26364	41.1
369.33890	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	370.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
55.05511	3.6
56.05026	1.1
57.03424	0.7
57.07058	0.6
65.03928	3.1
67.05505	7.8
68.99800	1.2
69.03423	4.2
69.56274	2.9
70.06596	1.6
77.03929	2.6
79.05506	3.2
82.06558	0.9
83.04980	15.4
84.08154	1.6
85.02908	16.6
85.06531	1.7
86.09711	0.7
91.05479	3.0
93.03420	6.9
93.07034	1.2
95.04972	8.2
97.02875	0.7
98.09681	0.9
105.03397	7.0
105.04482	1.2
105.07040	0.7
107.04960	18.9
109.02922	0.9
109.10130	1.1
111.04441	20.7
112.04784	0.8
118.06480	1.1
120.08124	0.8
121.02837	3.1
123.04443	7.8
129.05487	8.9
131.03403	0.9
133.02856	31.9
134.03442	1.0
135.04416	2.1
137.05968	1.3
139.03912	13.3
144.04468	1.3
146.06033	3.4
151.03918	15.9
157.04959	10.2
161.02339	18.7
161.03668	1.1
162.05496	1.1
163.03857	0.9
164.07086	1.2
167.07079	0.9
175.06041	10.6
176.07095	1.6
178.05894	0.8
178.08627	8.7
178.12289	1.2
179.03395	100.0
180.03778	2.8
182.75763	0.8
191.14233	0.9
196.09695	2.7
203.05428	1.4
204.06563	1.1
209.15425	1.0
210.14896	0.6
308.11420	1.6
324.14331	1.1
326.12253	2.2
352.10132	3.4
352.14175	0.8
353.08588	3.0
370.11197	8.3
370.15027	12.4
371.16589	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30297	2.2
53.03957	5.0
54.49320	2.1
54.53797	2.2
55.01865	4.7
55.05511	53.7
56.05047	2.6
57.03460	2.6
58.06619	2.6
59.04999	7.1
60.08169	2.1
65.03943	3.9
67.05501	44.8
69.03435	15.9
69.07066	76.8
70.06604	3.7
70.08076	2.5
71.05000	3.5
71.45631	2.2
79.05496	46.0
80.05012	25.5
81.03421	11.4
81.07060	39.4
82.06625	2.2
83.04977	6.9
83.08619	36.2
84.08170	2.7
85.02911	26.3
85.06537	2.9
87.97972	2.4
91.05476	33.3
93.07043	29.5
94.06560	13.8
95.04973	10.5
95.07340	3.0
95.08610	26.8
96.08142	2.7
97.02918	3.9
97.06516	5.1
97.10172	56.4
99.04476	3.5
100.11261	5.7
103.05480	7.4
105.07039	29.7
106.06568	5.1
107.04952	17.1
107.08598	44.8
107.09246	1.6
108.08128	6.9
108.29464	2.0
109.02888	4.0
109.06535	5.5
109.10168	12.2
111.08096	6.5
114.09159	11.9
117.07012	7.0
119.08577	23.2
120.08107	2.5
121.06528	5.7
121.10135	12.1
122.09725	2.4
123.04480	5.6
123.08061	5.6
123.11710	3.1
125.09637	48.8
127.03915	5.5
129.07016	5.1
131.04901	4.4
131.07736	2.6
131.08609	8.3
132.10184	23.8
133.06558	4.2
133.10143	23.3
135.04442	2.5
135.08047	13.7
135.11703	6.9
136.11208	2.5
137.05971	12.3
137.09679	4.4
139.03941	2.3
139.07668	2.3
142.12251	7.9
144.05647	2.7
145.04980	7.4
145.10101	14.0
147.08093	3.4
147.11690	10.9
149.09593	11.7
150.12823	3.3
151.03902	2.8
151.11253	2.7
153.05504	4.5
153.09143	4.5
159.11694	5.5
161.05946	5.1
161.13271	9.9
163.11252	3.8
165.05524	3.7
165.12762	15.7
167.07037	31.4
171.10249	4.9
171.11703	3.4
172.13307	3.4
173.13281	4.1
175.07562	9.8
176.14359	3.6
178.08591	3.7
179.14307	6.2
183.06464	2.6
187.07574	10.0
189.11214	56.8
189.12816	4.1
191.07065	3.7
191.14284	25.8
193.15862	3.6
197.06059	2.5
199.07535	3.7
202.07841	2.7
203.08586	2.8
204.13841	4.3
205.06177	3.2
206.77020	2.2
209.15353	4.2
210.07666	4.1
217.08499	4.5
218.07138	2.6
219.08032	3.8
222.14861	11.7
223.15569	2.3
224.16621	2.8
234.06651	2.8
235.07625	3.2
239.17960	3.6
246.06718	3.5
249.09027	5.4
257.18994	8.5
261.09106	2.4
266.09137	2.7
274.21680	5.2
275.20059	42.5
276.20465	3.5
277.08627	5.2
278.09430	5.0
279.06616	3.3
281.11783	4.4
292.22699	100.0
293.23303	3.4
294.08862	2.8
300.09833	4.9
305.08109	2.6
306.09033	2.5
308.09961	3.1
309.11258	9.1
321.11246	9.9
338.11261	3.1
339.12259	10.7
341.13828	10.1
352.12592	3.8
352.24850	5.2
353.13724	7.9
367.76523	2.4
370.13199	7.8
370.20483	4.0
370.25870	4.6
370.30606	5.0
371.14963	11.1
371.20749	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	371.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52132	0.3
52.47980	0.3
56.96546	0.4
69.03429	0.3
69.76507	0.9
70.06609	0.3
71.04974	0.4
85.02894	0.9
92.87213	0.3
95.04958	0.5
97.02951	0.3
98.97609	0.5
107.04943	0.3
118.48560	0.3
147.06499	0.4
163.03841	0.5
164.10692	1.5
192.62790	0.3
209.07895	1.1
209.13692	0.5
210.11220	1.4
294.11972	0.3
371.13126	100.0
372.13373	6.8
372.17545	0.3
384.87296	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1337
Annotation	sinapaldehyde glucoside
Peak:m/z	Relative Intensity
53.03938	4.4
55.01875	3.5
57.03429	3.7
59.05002	4.7
61.02937	2.8
67.05518	4.8
69.03431	18.5
69.09425	7.4
69.09831	4.0
70.27699	1.7
71.01339	2.9
71.05001	4.2
77.03918	4.2
79.05490	24.6
81.03414	12.8
81.07073	3.7
83.04965	1.8
85.02909	22.4
91.05476	9.2
93.07018	11.8
95.04961	28.8
95.05522	2.0
95.08571	1.8
97.02911	9.9
99.04472	3.3
103.03939	2.3
103.05449	13.4
105.03377	3.0
105.04510	3.8
105.07012	7.9
107.04955	100.0
108.05282	3.7
109.02881	37.5
109.06516	7.7
111.04465	4.1
111.08047	1.6
121.06504	19.3
123.04408	10.1
125.02336	5.6
125.06031	2.9
125.09619	1.5
127.03910	10.9
131.04924	6.6
133.02873	4.5
133.06477	5.2
135.04431	13.8
137.05954	5.1
139.03909	20.4
139.07544	2.3
141.05428	3.7
145.04948	2.7
147.08012	2.0
149.05977	31.5
149.09599	7.2
151.03896	23.2
153.05467	6.8
157.04922	2.1
157.73018	1.6
159.04451	4.2
161.05914	1.9
163.07661	1.8
165.05473	87.7
166.05899	3.1
167.07040	37.5
177.05466	39.5
181.08635	7.7
191.07054	3.0
191.14365	4.2
193.08627	8.8
195.06490	15.0
209.08080	33.8
209.15334	4.4
210.08437	2.0
227.09142	4.1
278.01764	1.6
321.09610	2.3
339.11002	2.6
366.89810	1.5
371.16922	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99343	2.0
55.01855	2.8
55.05527	2.0
57.56941	2.1
58.67966	1.9
65.71302	1.8
67.05501	3.2
69.03422	4.2
69.13173	7.3
69.13586	3.7
79.05482	15.7
81.03395	3.3
81.07069	5.3
86.09689	2.1
91.05476	16.7
93.03445	1.8
93.07055	4.1
94.04190	5.3
95.04963	6.9
95.08589	2.6
98.22691	4.6
103.05465	6.5
105.04527	2.2
105.07045	7.9
107.04962	22.3
109.06495	5.0
111.04427	2.4
115.05463	6.3
116.06270	3.8
117.07025	2.2
119.04974	2.8
119.08598	4.1
121.06544	4.0
121.10188	3.7
122.03612	9.5
123.04429	2.7
124.05185	3.8
125.09656	2.6
128.06245	9.2
129.07011	15.9
131.04967	6.6
131.08568	14.5
132.05710	2.8
133.06516	3.1
133.10130	4.2
135.04350	2.6
137.05980	100.0
137.09608	2.1
138.06306	4.1
141.07008	6.4
144.05678	13.0
145.04961	2.1
145.06503	4.1
145.10220	2.2
147.04469	2.1
147.08093	3.2
149.05988	4.1
151.03918	7.6
151.07549	4.9
152.04732	3.7
153.05481	3.6
155.05968	2.4
156.05698	25.0
157.06470	8.9
158.07265	3.8
159.08054	17.0
160.05212	2.9
161.05998	7.0
163.03934	2.7
163.11284	2.1
165.05519	2.9
165.06946	2.8
167.07050	63.5
169.06470	2.7
169.07721	4.3
172.05249	5.9
173.05951	6.2
174.06813	6.1
175.07538	16.3
177.05511	9.9
177.09183	2.4
178.07735	4.3
179.07092	4.7
179.08604	3.6
179.65007	2.1
181.06483	3.5
184.05234	3.7
185.05937	2.3
186.06808	4.8
187.07530	28.3
188.08041	2.4
189.07019	3.7
189.09129	7.9
190.07829	6.8
191.06958	3.9
191.08583	4.0
191.14331	4.1
193.10130	2.8
194.07327	2.3
196.05124	2.2
198.06827	3.1
199.07582	4.4
202.06290	7.2
202.07864	6.0
203.05286	4.9
203.06947	3.3
203.08595	7.5
205.06622	4.0
205.08578	9.1
205.10187	4.8
206.07266	8.6
207.08098	8.5
208.04675	2.0
209.15414	4.5
211.07620	6.5
214.06267	2.4
215.06866	3.7
215.08635	6.2
216.09280	2.3
217.08585	74.4
218.07216	15.7
219.08014	8.3
219.10031	4.5
221.06195	2.8
221.09625	8.9
223.07582	6.0
224.04700	3.4
224.08417	4.3
226.06200	4.9
229.08620	3.4
231.08115	7.0
232.08870	6.5
233.09573	19.4
234.06740	13.8
235.07509	12.7
236.08218	3.1
237.05458	4.2
237.09151	2.9
238.09857	3.4
239.07013	20.6
240.07600	3.4
241.08670	14.6
242.05777	4.5
245.05986	3.3
246.06819	6.0
247.07474	8.5
247.09674	33.7
248.08107	4.0
249.05872	1.8
249.06755	3.0
249.09102	21.2
250.09827	5.5
251.07079	9.2
252.07768	12.3
253.08475	2.9
255.06673	3.4
257.08163	3.6
259.07513	2.7
260.08347	7.1
261.09155	31.6
262.06403	2.3
262.09622	5.5
263.07037	14.0
263.10483	2.7
264.07819	5.1
265.08551	7.6
266.09402	8.4
267.06311	2.2
269.08099	11.7
270.08621	2.9
271.05978	8.4
275.06955	2.3
276.07761	2.8
277.08624	23.8
278.09302	13.6
279.06686	5.4
279.10165	6.7
280.07251	5.0
281.08432	2.7
281.11392	9.7
283.09698	6.5
283.74509	2.1
285.07584	35.3
286.08139	3.9
289.08612	10.6
290.09250	3.2
291.06598	2.8
291.10132	4.8
292.10965	3.1
293.04681	2.4
293.08102	6.2
293.11728	23.3
294.08832	2.4
295.09552	5.7
296.10553	2.6
298.08502	2.5
299.26920	1.9
300.09915	50.5
301.10645	24.5
306.08847	7.1
307.09705	9.1
308.06662	4.3
309.11191	25.3
310.11618	4.6
311.09088	3.9
311.12686	3.1
313.10709	8.3
315.12048	2.2
321.11197	38.3
322.11804	6.0
323.09232	7.5
325.10901	2.7
326.11432	14.0
327.12872	6.4
338.11554	7.7
339.12262	20.5
341.13846	16.3
342.14026	2.6
343.15152	2.2
353.13840	80.7
354.14188	5.9
371.14853	59.6
372.15320	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	371.1492
Annotation	Fragransol D
Peak:m/z	Relative Intensity
51.99343	2.0
55.01855	2.8
55.05527	2.0
57.56941	2.1
58.67966	1.9
65.71302	1.8
67.05501	3.2
69.03422	4.2
69.13173	7.3
69.13586	3.7
79.05482	15.7
81.03395	3.3
81.07069	5.3
86.09689	2.1
91.05476	16.7
93.03445	1.8
93.07055	4.1
94.04190	5.3
95.04963	6.9
95.08589	2.6
98.22691	4.6
103.05465	6.5
105.04527	2.2
105.07045	7.9
107.04962	22.3
109.06495	5.0
111.04427	2.4
115.05463	6.3
116.06270	3.8
117.07025	2.2
119.04974	2.8
119.08598	4.1
121.06544	4.0
121.10188	3.7
122.03612	9.5
123.04429	2.7
124.05185	3.8
125.09656	2.6
128.06245	9.2
129.07011	15.9
131.04967	6.6
131.08568	14.5
132.05710	2.8
133.06516	3.1
133.10130	4.2
135.04350	2.6
137.05980	100.0
137.09608	2.1
138.06306	4.1
141.07008	6.4
144.05678	13.0
145.04961	2.1
145.06503	4.1
145.10220	2.2
147.04469	2.1
147.08093	3.2
149.05988	4.1
151.03918	7.6
151.07549	4.9
152.04732	3.7
153.05481	3.6
155.05968	2.4
156.05698	25.0
157.06470	8.9
158.07265	3.8
159.08054	17.0
160.05212	2.9
161.05998	7.0
163.03934	2.7
163.11284	2.1
165.05519	2.9
165.06946	2.8
167.07050	63.5
169.06470	2.7
169.07721	4.3
172.05249	5.9
173.05951	6.2
174.06813	6.1
175.07538	16.3
177.05511	9.9
177.09183	2.4
178.07735	4.3
179.07092	4.7
179.08604	3.6
179.65007	2.1
181.06483	3.5
184.05234	3.7
185.05937	2.3
186.06808	4.8
187.07530	28.3
188.08041	2.4
189.07019	3.7
189.09129	7.9
190.07829	6.8
191.06958	3.9
191.08583	4.0
191.14331	4.1
193.10130	2.8
194.07327	2.3
196.05124	2.2
198.06827	3.1
199.07582	4.4
202.06290	7.2
202.07864	6.0
203.05286	4.9
203.06947	3.3
203.08595	7.5
205.06622	4.0
205.08578	9.1
205.10187	4.8
206.07266	8.6
207.08098	8.5
208.04675	2.0
209.15414	4.5
211.07620	6.5
214.06267	2.4
215.06866	3.7
215.08635	6.2
216.09280	2.3
217.08585	74.4
218.07216	15.7
219.08014	8.3
219.10031	4.5
221.06195	2.8
221.09625	8.9
223.07582	6.0
224.04700	3.4
224.08417	4.3
226.06200	4.9
229.08620	3.4
231.08115	7.0
232.08870	6.5
233.09573	19.4
234.06740	13.8
235.07509	12.7
236.08218	3.1
237.05458	4.2
237.09151	2.9
238.09857	3.4
239.07013	20.6
240.07600	3.4
241.08670	14.6
242.05777	4.5
245.05986	3.3
246.06819	6.0
247.07474	8.5
247.09674	33.7
248.08107	4.0
249.05872	1.8
249.06755	3.0
249.09102	21.2
250.09827	5.5
251.07079	9.2
252.07768	12.3
253.08475	2.9
255.06673	3.4
257.08163	3.6
259.07513	2.7
260.08347	7.1
261.09155	31.6
262.06403	2.3
262.09622	5.5
263.07037	14.0
263.10483	2.7
264.07819	5.1
265.08551	7.6
266.09402	8.4
267.06311	2.2
269.08099	11.7
270.08621	2.9
271.05978	8.4
275.06955	2.3
276.07761	2.8
277.08624	23.8
278.09302	13.6
279.06686	5.4
279.10165	6.7
280.07251	5.0
281.08432	2.7
281.11392	9.7
283.09698	6.5
283.74509	2.1
285.07584	35.3
286.08139	3.9
289.08612	10.6
290.09250	3.2
291.06598	2.8
291.10132	4.8
292.10965	3.1
293.04681	2.4
293.08102	6.2
293.11728	23.3
294.08832	2.4
295.09552	5.7
296.10553	2.6
298.08502	2.5
299.26920	1.9
300.09915	50.5
301.10645	24.5
306.08847	7.1
307.09705	9.1
308.06662	4.3
309.11191	25.3
310.11618	4.6
311.09088	3.9
311.12686	3.1
313.10709	8.3
315.12048	2.2
321.11197	38.3
322.11804	6.0
323.09232	7.5
325.10901	2.7
326.11432	14.0
327.12872	6.4
338.11554	7.7
339.12262	20.5
341.13846	16.3
342.14026	2.6
343.15152	2.2
353.13840	80.7
354.14188	5.9
371.14853	59.6
372.15320	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	371.149
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
55.01860	1.0
55.05499	1.3
63.32800	0.7
67.05503	1.1
67.37506	0.8
67.96109	0.9
69.03394	1.5
69.07070	1.2
70.57224	1.2
70.57560	1.2
79.05468	2.7
80.58750	0.8
81.07041	3.1
81.58369	1.0
82.52114	0.8
83.04977	1.0
83.08626	0.8
85.02904	1.0
85.06538	1.0
85.53603	0.7
89.06786	0.8
89.90034	0.7
91.05470	2.4
93.07036	2.7
95.04951	1.7
95.08591	1.3
97.06556	1.5
99.08095	1.0
100.53040	0.8
105.07034	2.3
107.04971	4.6
107.08580	2.2
109.10145	1.6
119.08543	2.2
121.06481	1.4
121.10131	1.7
121.59765	0.9
123.04391	0.8
128.06215	1.0
129.06964	1.3
131.04924	2.9
131.08598	1.1
133.10208	1.4
135.11653	1.2
137.05994	3.3
143.10648	1.3
145.06479	1.7
147.04384	1.2
155.08549	0.9
158.06757	0.8
159.07957	1.3
159.11691	1.4
163.07858	1.0
165.05679	1.1
165.07043	2.9
167.07079	5.3
167.08426	1.2
169.72862	0.9
173.87491	0.9
175.07513	1.8
178.07732	3.8
179.08539	2.9
181.06470	2.9
187.07599	2.1
189.06984	1.1
190.07648	1.3
191.08553	2.5
191.14268	0.9
193.06454	1.9
194.07275	4.0
195.07996	1.5
195.14420	0.9
202.07736	2.4
203.08615	1.5
205.06526	2.9
205.10220	0.8
206.07253	5.3
207.08145	4.8
208.08652	1.3
209.06006	2.7
209.09619	1.4
210.06770	0.9
211.07544	1.0
213.65822	0.8
215.08556	1.3
217.08549	2.1
218.07288	3.1
219.07983	3.6
220.08722	1.3
221.05922	5.9
221.09528	2.1
222.06734	6.0
222.10104	0.9
223.07501	4.3
224.08330	3.7
225.09009	1.2
231.08073	2.1
232.08957	3.7
233.05862	1.3
233.09608	3.0
234.06740	6.8
234.10378	1.2
235.07498	6.8
236.08328	6.7
237.05437	3.4
237.09195	4.6
239.07002	0.9
241.08614	1.1
244.08702	0.9
246.06754	1.1
247.07518	2.1
248.08299	2.4
249.05386	1.9
249.09091	18.7
250.06276	5.0
250.09804	5.4
251.07054	4.7
251.10411	1.3
252.07800	14.9
253.08490	4.8
260.08377	1.3
261.09131	4.1
263.07025	4.7
263.09854	0.8
264.07797	9.2
265.05042	3.2
265.08582	23.9
265.11649	1.8
266.09344	16.8
267.06824	1.0
267.09988	2.7
275.10574	1.3
277.08621	7.2
278.06097	1.1
278.09348	4.2
279.06516	2.6
279.09921	1.6
280.07288	15.7
280.10538	0.9
281.08005	7.1
281.11337	1.5
282.08688	1.6
289.08600	0.9
291.06726	0.9
293.08075	5.2
293.11703	15.7
294.08795	2.7
294.11899	1.1
295.09641	8.2
296.10440	13.1
297.10837	1.8
300.09967	1.0
306.08783	1.5
307.09897	1.0
309.11255	3.4
310.11990	2.4
311.09265	1.8
311.12668	12.8
312.09921	1.1
313.10565	1.8
321.11276	7.7
323.09012	0.9
324.09872	3.0
325.10745	1.9
339.12253	100.0
340.12762	11.4
341.13565	1.4
353.13858	2.5
371.14890	47.3
372.15158	4.2
372.28061	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1507
Annotation	(-)-Methylpiperitol
Peak:m/z	Relative Intensity
55.05503	3.1
57.07070	8.3
58.06588	3.9
62.06085	2.9
67.05482	3.1
67.18547	1.5
69.07056	3.0
71.08630	2.0
71.11168	2.1
79.05504	2.6
83.08646	2.1
87.04480	3.4
88.07652	2.2
90.98939	1.7
95.08601	3.2
112.99275	1.7
119.08627	2.0
156.17502	2.3
174.18544	6.7
226.90781	1.8
230.24783	6.1
254.28430	4.9
361.74750	1.7
370.33151	3.4
370.40414	23.4
371.15079	100.0
371.25317	5.1
371.40710	10.9
372.15384	6.8
389.16257	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	371.155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58145	1.4
51.51396	1.3
55.01866	2.3
56.96560	9.6
57.03437	15.4
59.04995	4.1
61.02924	8.7
62.65811	1.4
69.03068	3.1
69.03426	43.1
70.06583	2.2
70.11055	3.3
71.01346	1.4
73.02892	7.8
81.03427	4.1
83.04937	1.7
85.02905	100.0
86.09719	1.7
87.04467	25.7
87.10070	1.7
91.03957	4.4
97.02895	39.6
98.97575	30.7
99.04463	3.8
109.02889	7.5
110.97552	7.8
111.04395	1.9
115.03933	32.6
116.13267	1.6
116.98623	11.0
127.03916	21.0
128.98611	5.7
133.04962	47.1
133.10567	2.1
136.99086	1.8
140.98608	1.9
145.04955	54.2
146.99788	2.3
150.05486	4.4
151.51981	1.8
151.86581	1.8
152.98566	2.9
158.99725	2.0
163.03946	3.1
163.06015	30.4
170.99692	2.4
177.00906	7.0
178.00996	1.6
189.00722	1.8
191.02524	4.4
192.02602	2.0
198.97612	1.5
201.00824	5.6
202.00401	1.5
203.02538	2.9
216.98653	9.2
219.01936	23.9
227.02565	2.0
229.00494	8.2
232.96405	2.2
233.03580	8.4
234.99770	10.2
237.02829	15.3
239.11290	6.7
247.01450	2.4
262.99521	1.6
263.02701	3.2
265.02701	1.9
279.00565	1.7
288.00562	1.7
294.29144	1.4
299.00937	3.6
305.02222	1.9
317.01956	2.3
329.01944	6.5
329.05508	6.8
330.02045	2.4
330.07086	8.4
341.02124	1.8
347.03006	6.0
347.06827	2.8
348.04132	2.4
348.07990	9.8
359.03073	1.7
371.06433	9.1
371.12579	3.7
371.26389	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	371.1597
Annotation	Thioridazine
Peak:m/z	Relative Intensity
57.07103	1.6
81.07065	1.6
93.07027	1.5
95.04971	1.6
150.09918	1.2
181.83199	1.3
250.00108	1.3
291.08850	1.5
313.11606	1.6
331.15762	2.2
349.16656	2.6
371.15924	100.0
372.16083	7.8
389.47339	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1678
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
53.03944	0.4
53.42480	0.5
53.46550	0.4
55.05500	0.8
69.03421	1.7
70.06572	0.8
71.04998	0.6
71.44662	0.5
79.05482	1.1
81.03408	1.5
81.07057	2.1
83.04977	1.3
83.08625	0.9
85.02900	2.7
86.09715	0.5
91.05466	0.9
93.07043	1.7
95.04956	3.3
95.08559	0.9
97.02880	0.9
99.04488	0.9
101.06076	0.6
105.07051	0.8
106.06512	0.6
107.04958	1.5
107.08604	1.2
109.02888	1.1
109.06522	1.4
109.10178	0.6
111.04464	0.9
115.05419	0.5
117.07011	0.6
120.04436	0.5
121.06524	2.7
121.10095	0.9
127.03912	1.5
131.04916	0.5
133.10098	0.9
135.04416	0.7
135.08070	1.1
139.03886	0.6
139.11139	0.6
146.06023	0.6
147.06453	0.5
149.05981	3.8
151.03902	0.7
152.10315	0.5
153.05469	1.5
153.09077	1.0
159.04315	0.7
163.03943	3.4
164.07063	0.7
167.07092	1.1
177.05493	1.2
179.03337	0.9
181.08611	2.1
181.12166	0.7
191.07166	0.5
191.14346	1.1
195.06502	1.3
203.03433	0.6
209.07968	0.7
209.15352	2.0
218.74548	0.6
248.09247	0.7
272.54376	0.5
305.10138	1.1
310.00381	0.5
339.10718	0.5
371.16766	100.0
372.17175	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	371.1679
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
50.42239	0.3
55.05503	0.5
60.57396	0.3
67.05499	0.3
69.03423	0.7
71.21497	0.4
75.96591	0.2
78.70916	0.3
81.07039	0.4
83.04987	0.3
85.02908	0.5
93.07039	0.4
93.69489	0.3
95.04977	0.7
100.11277	0.6
105.07047	0.5
107.04964	1.0
107.08593	0.6
109.02866	0.5
123.08099	0.4
127.03925	0.3
131.08592	0.3
133.10135	0.4
135.04425	1.1
137.05910	0.4
143.71504	0.3
148.14111	0.3
149.06033	0.4
149.09631	0.9
151.03891	0.4
165.05499	0.8
167.07033	0.6
170.59258	0.3
177.05499	0.7
182.15346	0.4
191.14330	0.9
203.05206	0.3
209.11375	0.5
209.15388	1.0
210.14859	0.6
337.21036	0.5
355.22180	0.3
371.16754	100.0
372.17078	5.6
372.24951	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42239	0.3
55.05503	0.5
60.57396	0.3
67.05499	0.3
69.03423	0.7
71.21497	0.4
75.96591	0.2
78.70916	0.3
81.07039	0.4
83.04987	0.3
85.02908	0.5
93.07039	0.4
93.69489	0.3
95.04977	0.7
100.11277	0.6
105.07047	0.5
107.04964	1.0
107.08593	0.6
109.02866	0.5
123.08099	0.4
127.03925	0.3
131.08592	0.3
133.10135	0.4
135.04425	1.1
137.05910	0.4
143.71504	0.3
148.14111	0.3
149.06033	0.4
149.09631	0.9
151.03891	0.4
165.05499	0.8
167.07033	0.6
170.59258	0.3
177.05499	0.7
182.15346	0.4
191.14330	0.9
203.05206	0.3
209.11375	0.5
209.15388	1.0
210.14859	0.6
337.21036	0.5
355.22180	0.3
371.16754	100.0
372.17078	5.6
372.24951	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.7
61.97478	20.2
62.98254	29.6
63.22262	2.5
67.05504	3.2
77.96539	3.0
77.96953	33.4
83.08555	2.7
85.06551	3.2
86.45129	2.4
89.96942	3.3
95.04973	6.0
103.98487	77.8
110.91570	2.5
111.04436	3.0
115.44126	2.6
116.99276	18.2
129.05464	3.0
131.00772	16.4
133.10165	4.3
135.97478	2.9
145.02361	38.3
159.03918	8.2
173.05504	3.9
187.07040	12.7
188.07829	30.0
203.06584	8.0
205.08075	8.1
217.08102	27.1
238.28709	2.6
243.09668	7.1
257.77490	2.7
267.09717	5.7
269.11343	14.0
285.10715	100.0
286.10925	4.0
302.07928	5.1
320.09042	8.3
325.13831	4.3
331.17667	3.0
349.18716	2.7
353.16995	9.3
370.31970	17.7
371.15488	74.2
371.25528	12.6
371.32632	5.3
372.16190	5.8
381.74789	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03934	2.3
55.01864	1.6
55.05504	7.0
57.03423	3.4
57.07067	5.7
59.04990	3.4
61.02899	1.6
65.03936	1.4
67.05495	9.0
69.03428	14.6
69.07066	13.4
69.69028	5.7
70.06592	2.7
71.04976	3.9
73.02925	1.6
76.35129	1.5
77.03907	1.5
79.05495	11.0
81.03423	4.9
81.07053	11.7
81.41628	1.3
83.04980	7.8
83.08617	7.6
84.05251	1.3
85.02906	14.4
85.06561	6.7
86.09701	11.9
87.27098	1.5
91.05479	13.0
93.07040	32.5
95.04970	48.3
95.08611	8.5
97.02879	5.9
98.22752	2.9
98.92950	1.3
99.04459	11.4
105.04501	1.9
105.07027	8.1
107.04924	3.9
107.08597	38.9
108.05280	3.0
109.02887	2.7
109.06542	7.1
109.10159	7.0
111.04433	4.1
111.08059	3.1
112.04766	1.7
113.05949	2.1
116.07101	4.2
117.03364	1.4
119.08570	9.3
121.06479	2.9
121.10145	100.0
122.10460	2.9
123.04419	2.1
123.08109	3.0
123.11692	2.8
125.09629	7.3
126.65648	1.4
127.03908	3.8
129.05516	3.0
131.08563	4.9
132.41006	1.4
133.02852	4.8
133.10141	10.0
134.03140	3.0
135.04474	3.3
135.08049	6.6
135.11679	8.7
137.05945	4.0
145.02863	1.7
145.10133	3.4
147.06541	1.8
147.11638	3.7
149.09601	3.9
149.13255	6.2
151.03897	2.6
151.11183	3.8
152.04277	1.8
153.09100	17.8
157.04991	2.0
158.10962	2.8
159.95773	1.5
161.02223	1.8
162.02730	1.8
163.03897	15.9
163.14825	24.3
164.15215	2.8
165.05501	1.7
167.07042	3.3
167.14284	6.6
173.09663	2.6
173.13229	11.0
174.13623	1.6
175.14799	1.7
177.05450	1.6
178.08644	1.5
179.03378	9.4
179.08998	1.7
180.03741	9.6
191.14314	43.4
209.15361	61.3
210.15665	2.3
229.15492	1.4
233.15395	1.9
299.16177	1.4
317.17114	2.0
353.19672	2.3
371.11465	5.3
371.16684	38.0
371.20612	6.3
371.30038	2.2
372.17038	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03947	1.4
55.01871	1.1
55.05508	4.3
57.03432	1.9
57.07078	1.7
61.02907	2.8
63.42319	0.7
67.05499	2.3
69.03434	7.6
69.07054	3.6
69.21736	3.3
71.01315	0.8
71.04991	4.7
73.02906	1.1
79.05490	2.2
81.03403	3.2
81.07059	7.0
83.04983	6.7
83.08633	6.2
85.02902	14.9
85.06538	1.8
87.04478	1.7
89.06022	2.5
91.05511	1.7
92.65694	0.7
93.07047	4.5
95.04968	100.0
95.08619	1.7
96.05303	2.1
97.02897	5.7
97.06529	2.5
99.04457	22.2
99.08078	0.6
103.03938	1.1
105.07033	2.2
107.08602	4.1
109.02869	2.5
109.06521	2.6
109.10166	5.1
111.04404	0.7
111.08063	2.5
117.06966	0.7
119.08598	1.3
120.99356	0.7
121.10134	4.6
123.08054	0.8
123.11694	1.6
125.05987	1.0
125.09639	1.5
127.03927	4.0
131.08571	1.4
133.08609	1.5
133.10136	6.5
135.08040	1.5
135.11728	1.2
137.05952	0.8
137.09549	1.0
139.11180	2.9
145.02817	0.7
145.04958	2.3
145.10162	1.2
147.11674	1.4
149.09637	2.6
149.13326	5.0
151.10147	0.7
151.11153	3.6
153.09109	32.1
154.09428	1.4
160.86299	0.7
163.14838	0.9
165.12787	0.8
167.07065	1.3
167.14297	4.9
169.12283	1.2
171.10216	0.9
173.13290	4.7
177.05432	0.6
181.12286	3.8
185.08177	1.1
191.14261	6.1
193.15912	1.3
197.15550	0.9
209.15370	38.1
210.15715	1.8
227.16519	1.4
233.15352	1.0
263.16318	0.9
315.14340	0.6
335.18359	1.0
353.19769	0.8
371.16702	10.9
371.20804	3.0
372.17297	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
55.01864	1.7
55.05510	1.6
57.03421	2.7
59.04993	1.5
61.02923	2.4
63.94260	0.9
67.05508	1.5
69.03426	10.5
69.07063	1.7
69.20800	5.4
70.33170	0.9
71.04961	1.6
79.05481	1.2
81.03416	5.5
81.07053	3.4
83.04975	2.1
85.02901	27.6
91.03960	1.5
91.05464	2.3
93.07048	3.0
95.04961	2.8
95.08586	2.5
97.02888	6.2
97.30235	1.0
99.04457	1.6
105.07039	2.3
105.26659	1.0
107.08585	6.5
109.02875	2.2
109.06517	4.2
109.10172	2.3
119.08569	3.1
121.06493	2.1
121.10129	8.8
122.07301	1.5
123.08060	4.3
123.11677	2.8
127.03899	4.1
131.08551	1.3
133.10124	6.7
135.08072	1.8
137.09618	12.9
145.04955	3.7
146.71700	0.9
147.11696	1.1
149.09586	7.7
149.13252	5.1
151.11179	14.0
158.10860	0.9
165.12750	33.7
166.13063	1.0
173.13257	2.1
191.14291	14.4
193.15901	1.8
209.15363	100.0
210.15765	5.9
216.76114	0.8
334.57086	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.6
55.01856	3.2
55.05500	4.9
57.03423	2.9
57.07080	2.5
57.87535	1.8
61.02930	2.2
67.05514	4.7
67.85088	2.1
69.03426	19.4
69.07074	7.7
69.75953	4.8
69.76345	4.2
71.04979	4.8
71.88724	2.1
79.05481	12.9
81.03429	6.7
81.07057	13.1
83.04984	9.3
85.02906	22.6
91.05458	10.3
93.07028	10.5
95.04967	7.4
95.08624	10.5
97.02895	7.9
97.06529	2.4
98.23425	2.4
99.08126	2.6
99.56339	1.8
105.06451	2.0
105.07009	12.4
107.04959	18.8
107.08584	27.4
109.02876	3.8
109.06503	9.9
109.10156	12.6
115.05457	3.9
116.06213	2.3
117.07071	3.3
119.08598	7.6
120.08143	2.0
121.06530	5.5
121.10135	28.4
122.03632	3.0
122.07346	2.2
123.08101	5.6
125.09661	5.9
127.03935	4.7
128.06282	2.5
129.05492	3.4
129.07047	11.1
131.04929	7.1
131.08598	12.1
132.05710	3.8
133.06532	3.0
133.10120	100.0
134.10429	2.9
135.08043	17.7
135.11713	6.2
136.07573	2.6
136.48308	2.1
137.05972	49.8
137.09610	55.7
141.07001	4.8
144.05714	6.0
145.04977	5.9
145.06448	2.0
145.10121	3.5
147.08057	2.6
147.11688	6.5
149.06029	3.4
149.09627	9.1
149.13245	20.0
151.03941	3.3
151.07570	2.5
151.11183	42.3
151.55742	2.3
153.05457	3.7
156.05725	7.0
157.06491	4.9
159.08041	9.1
160.81599	2.0
161.06055	4.2
163.13669	1.9
163.14784	9.9
165.05534	3.8
165.12769	22.5
167.07048	49.4
167.08464	2.7
169.06476	3.1
172.05249	2.9
173.05949	2.2
173.13235	12.6
174.06723	3.3
175.07457	10.3
177.05489	7.4
179.07062	3.7
180.07828	3.1
186.06711	3.0
187.03909	2.5
187.07530	15.4
189.09013	4.8
191.07039	6.1
191.08702	2.1
191.14304	77.4
192.07784	7.4
192.14671	2.8
199.07588	5.6
202.06227	4.2
203.08517	3.9
204.07863	2.0
205.08553	4.9
206.07204	3.1
208.13391	2.7
209.15364	88.3
210.15776	2.2
215.08607	3.5
217.08597	27.3
218.07281	5.4
219.07994	5.0
221.09659	4.2
225.09393	2.4
231.08127	2.7
232.08884	2.7
233.09645	5.1
234.06815	4.5
235.07556	5.5
239.07085	5.9
241.08551	7.5
246.06793	3.7
247.07498	3.3
247.09625	16.0
249.09033	11.3
250.06406	2.2
250.09805	4.3
251.07021	4.8
252.07942	4.4
260.08374	3.9
261.09088	14.2
262.09784	3.2
263.07092	8.5
263.10263	2.2
264.07742	2.6
266.09280	3.6
267.10220	2.3
269.08069	5.3
277.08658	8.6
278.09369	8.3
279.06839	2.3
279.10205	4.5
280.07568	3.2
281.08392	2.9
281.11749	6.1
283.09607	4.7
285.07654	10.4
286.08084	3.0
289.08560	6.6
290.09277	4.2
291.10355	2.7
292.10623	2.0
293.08411	3.5
293.11765	10.1
294.08908	2.5
295.09653	2.3
300.09946	8.8
301.10782	9.6
306.08862	4.3
307.09634	5.2
308.10156	2.2
309.11282	10.8
311.12881	2.1
313.10535	3.8
321.11215	21.7
322.11792	2.8
323.09131	5.5
326.11539	5.9
328.12878	3.3
339.12131	9.7
341.10233	3.3
341.13712	9.6
353.13797	30.1
354.14145	2.8
370.68500	2.2
371.15067	29.6
371.19812	9.4
372.15387	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39921	0.6
51.36061	0.7
53.03949	1.0
53.09886	0.6
55.05518	3.1
57.03432	1.8
57.07075	1.5
57.45354	0.7
59.04993	1.2
61.02919	1.7
65.03951	1.0
67.05501	2.9
69.03426	5.3
69.07065	4.3
69.55016	1.2
69.55404	1.4
71.04990	5.9
73.02904	1.2
74.42517	0.6
79.05489	3.3
81.03414	2.8
81.07050	8.6
83.04980	2.7
83.08624	5.1
85.02905	12.7
85.06550	3.1
91.05488	2.4
93.07041	9.6
93.74319	0.6
95.04967	100.0
95.08612	3.6
96.05325	1.9
97.02900	3.9
97.06532	1.5
99.04453	20.8
99.08105	0.8
105.07015	3.4
107.04950	1.0
107.08595	8.8
109.02861	2.3
109.06528	4.6
109.10139	3.9
111.04427	0.9
111.08064	2.6
113.06000	1.2
115.07623	0.8
119.08582	2.4
121.10143	18.4
123.11696	2.1
125.09638	0.8
127.03887	4.0
129.05522	0.7
131.08554	1.9
133.10120	5.8
135.08070	1.8
135.11691	1.7
137.05988	1.4
139.11172	5.5
143.08482	0.8
145.04944	1.8
145.10156	1.0
147.04530	0.7
147.07962	0.8
147.11662	1.3
149.13249	4.1
151.11183	1.9
153.09102	34.8
154.09444	1.4
158.07237	0.7
158.11026	0.7
163.03926	2.0
163.14772	4.3
167.07063	1.9
167.14316	5.6
171.10249	0.7
173.13258	3.5
181.12245	0.9
191.14278	7.7
193.15929	0.8
207.13901	0.7
209.15366	36.6
210.15810	1.4
217.04924	0.8
222.61142	0.8
353.13586	0.8
371.12567	1.4
371.16794	7.7
371.20633	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	8.6
55.05509	33.0
57.07080	9.9
58.21085	6.4
61.02926	12.5
67.05512	23.0
69.03431	31.6
69.07065	18.2
69.56049	20.5
71.04987	30.8
72.32545	6.4
79.05508	31.2
81.03423	20.7
81.07057	73.4
83.04979	11.7
83.08630	7.8
84.78945	6.4
85.02911	21.6
85.06558	7.9
87.04463	11.2
91.05492	30.2
93.07052	56.2
95.04980	19.3
95.08628	45.5
97.02927	11.6
97.06533	21.8
99.08102	16.4
103.05477	14.8
105.07043	51.0
107.04953	29.9
107.08608	67.0
109.02883	8.9
109.06519	20.3
109.10165	49.9
111.04425	10.4
111.08108	13.2
115.03957	10.4
117.07008	11.1
119.08578	54.0
121.06519	20.5
121.10155	36.3
123.04428	11.6
123.08069	10.2
123.11716	27.4
125.09620	38.8
127.11156	23.9
128.63467	6.8
129.05559	10.5
129.07071	9.4
131.04903	13.1
131.08554	30.5
133.10133	44.2
135.11693	30.6
137.05998	72.6
137.09663	11.6
137.13168	7.1
143.08554	20.0
143.10652	54.3
144.05798	10.8
145.06425	8.9
145.10132	30.7
147.06657	6.6
147.07993	7.5
147.11717	21.4
149.05980	11.2
149.09604	12.4
149.13321	7.5
151.07614	10.4
156.05692	13.3
157.06525	11.3
157.10153	20.4
159.08073	15.1
159.11720	27.7
161.13181	9.6
163.07552	9.3
165.09042	10.6
167.07062	59.8
167.10812	8.4
169.10133	12.9
171.11705	8.2
173.13254	19.3
175.07587	23.1
179.08510	7.9
183.68709	7.0
185.13365	9.7
187.07573	25.3
189.09100	11.1
189.16426	17.3
191.14296	13.3
195.11725	12.2
199.07523	11.3
201.16472	14.2
203.08745	11.5
203.17949	9.0
207.08141	11.5
209.11646	10.1
217.08600	51.9
218.07260	9.8
219.08105	13.2
221.09750	11.7
221.19043	15.6
223.07423	8.6
224.83168	7.6
233.09636	12.9
234.06755	14.0
235.07478	9.0
239.07014	13.5
241.08574	12.6
245.18887	9.3
247.09569	13.5
249.09116	26.6
250.09723	10.2
252.07784	19.0
261.09067	26.0
262.09540	9.5
263.06909	14.9
263.20224	10.3
264.07910	8.7
265.08646	14.6
277.08624	24.9
278.09378	12.6
280.07281	11.6
285.07465	25.7
287.19846	7.9
291.10336	10.0
293.08438	10.5
293.11722	25.8
294.08646	7.1
296.10559	10.3
299.20023	13.6
300.10040	17.0
301.10434	11.5
307.09842	13.3
309.11069	18.2
311.12646	11.1
317.21274	19.0
321.11166	26.1
323.08951	11.3
326.11334	14.1
335.22086	24.5
339.12253	100.0
340.12689	14.4
341.13873	10.2
353.13922	38.6
353.23193	28.7
354.10223	7.9
371.14825	85.5
371.24228	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	371.2579
Annotation	3-Oxochola-4,6-dien-24-oic Acid
Peak:m/z	Relative Intensity
53.03924	1.3
55.05513	4.9
57.07074	3.1
67.05492	3.7
69.07061	6.3
69.66634	3.2
69.67022	2.7
71.04981	1.8
79.05482	6.1
81.07048	8.1
83.04973	3.6
91.05484	6.5
93.07048	10.1
95.04958	3.3
95.08606	11.9
97.06545	9.8
97.10178	1.8
98.23509	1.5
105.07030	15.1
107.04922	3.9
107.08584	16.1
109.06532	3.2
109.10148	3.7
111.04417	1.5
111.08055	2.8
117.07032	3.0
119.04940	24.3
119.08572	18.2
121.05710	1.2
121.06461	6.8
121.10162	8.2
123.08058	9.3
123.11731	1.5
125.09639	9.0
129.05411	2.2
129.07001	2.7
131.08549	6.6
133.06477	4.7
133.10124	39.7
134.10425	2.0
135.08047	3.8
135.11641	1.3
137.09615	8.3
142.07805	2.2
143.08534	8.3
145.06508	1.9
145.10117	15.1
147.08076	10.2
147.11679	4.2
149.09607	6.3
153.09094	2.0
155.08505	2.6
156.09338	2.3
157.10095	7.5
159.08080	4.3
159.11664	7.9
161.09584	13.1
161.13251	6.4
165.09097	4.6
170.10902	5.9
171.08083	2.5
171.11668	3.9
173.09613	5.6
173.13246	3.9
175.07594	1.4
175.11174	2.7
175.14799	7.6
181.10095	2.0
183.11696	2.4
185.13268	14.4
187.11224	1.9
187.14835	5.3
189.12703	6.2
189.16278	1.5
195.11806	1.6
197.09575	1.6
199.11192	2.4
199.14836	2.6
203.14296	8.9
205.15923	2.4
205.30309	1.4
209.13309	2.1
213.12733	17.1
214.13196	1.8
215.14325	2.8
223.14836	2.1
223.16837	1.5
227.14346	2.6
229.15909	2.6
231.13785	100.0
232.14148	5.4
233.15295	7.4
241.15958	3.6
247.16916	2.3
249.14816	4.1
251.17976	1.7
255.17398	1.9
265.19571	1.8
267.17383	7.0
283.16821	3.4
285.18463	5.9
293.22437	2.0
311.23575	1.8
325.25092	1.8
327.23273	2.3
335.23630	6.0
353.24744	27.4
354.24908	2.8
371.25787	80.5
372.26135	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	371.2582
Annotation	3-Oxochola-4,6-dien-24-oic Acid
Peak:m/z	Relative Intensity
51.25297	0.6
53.03942	0.8
55.05516	4.7
55.62169	0.5
56.96553	1.1
57.07072	1.7
59.23911	0.6
63.02192	0.5
67.05501	5.1
69.07064	4.3
71.04995	1.4
71.08625	1.2
79.05478	4.2
81.07058	7.6
83.05003	0.8
83.08609	7.6
85.06538	6.0
85.98402	0.6
91.05488	5.3
93.07047	8.8
95.04942	2.9
95.08016	1.2
95.08601	16.4
97.06522	1.3
97.10139	0.7
99.08105	1.5
105.04514	0.8
105.07034	8.7
106.07400	0.6
107.04947	2.1
107.08588	11.6
109.06538	3.2
109.10159	8.4
111.08061	0.7
115.05439	0.6
117.07030	2.5
119.04964	0.7
119.08577	19.6
120.08967	0.6
121.06499	12.4
121.10146	9.0
122.10432	0.6
123.08054	7.7
123.11710	1.0
129.06973	1.4
130.07817	0.7
131.08565	5.9
133.06453	0.9
133.10129	18.9
134.10490	1.0
135.08035	6.2
135.11703	1.8
137.09613	29.1
138.09898	0.6
139.11234	0.6
143.08556	3.0
144.09364	1.4
145.06462	0.6
145.10123	20.3
146.10451	0.7
147.08031	5.1
147.11681	4.2
149.09590	3.0
151.11092	0.8
155.08551	1.1
157.10150	5.5
158.10902	2.7
159.08134	1.1
159.11702	13.1
161.09602	6.9
161.13213	3.1
163.11174	1.5
163.14810	0.6
165.09106	19.6
165.12732	0.8
169.10107	0.9
171.11696	2.9
172.12462	7.8
173.09674	2.7
173.13251	4.4
175.11201	3.5
175.14801	9.8
177.12744	2.1
177.16374	1.1
182.10930	1.2
183.11716	1.4
185.09685	0.7
185.13240	3.0
186.10362	1.0
187.11162	1.0
187.14812	32.1
188.15196	1.7
189.12779	1.1
189.16373	2.4
197.13217	2.7
198.13757	0.6
199.11183	1.2
199.14871	1.6
201.12740	1.9
203.14299	31.4
204.14697	1.6
205.15929	1.6
209.13237	0.7
211.14914	1.2
215.14302	46.3
216.14720	2.5
217.15906	2.5
219.13876	1.6
221.13409	0.6
223.14818	1.2
227.14323	1.0
229.15912	1.5
231.14093	0.6
231.17374	0.8
233.15355	42.2
234.15710	2.4
235.14742	0.8
241.15898	1.6
245.15370	2.9
259.16901	7.2
263.17990	0.6
269.18887	1.5
273.18500	1.2
279.17471	0.6
283.16876	0.7
291.23355	1.3
295.20425	0.8
309.24429	2.7
311.23724	1.0
323.23669	1.4
331.15894	1.6
335.23599	4.8
341.24738	28.1
342.25046	2.4
349.16873	5.7
353.24579	33.0
354.25098	2.4
367.18002	1.0
371.25797	100.0
372.18536	1.1
372.26126	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	372.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.5
58.95316	0.4
59.88834	0.4
68.12274	0.4
69.03432	0.5
69.34988	1.1
69.35385	0.7
79.05479	1.0
83.04998	0.5
89.03908	5.2
93.03442	0.5
95.05022	0.6
98.23427	1.1
105.07088	0.6
107.04959	3.3
111.04464	0.7
117.03387	7.8
124.94212	0.4
127.03931	0.9
127.04813	0.5
135.04419	15.2
145.02844	10.6
145.03853	0.5
146.03221	0.7
154.87337	0.4
163.03903	100.0
164.04254	4.0
164.07086	0.7
181.03847	1.0
196.95190	0.5
246.83179	0.5
264.89288	0.6
334.97745	0.5
372.17233	1.9
373.18335	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	372.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.1
56.96569	24.3
57.07089	0.7
65.36475	0.6
67.05513	1.9
69.07076	1.7
69.88362	2.5
70.93730	0.7
71.08642	1.2
71.95264	1.1
79.05495	1.9
81.07056	2.9
83.08614	1.4
87.04479	3.2
88.07636	1.1
91.05481	1.3
93.07041	3.1
95.04970	0.9
95.08612	3.8
96.08939	0.7
97.96811	1.0
98.22839	1.2
98.97551	0.8
104.60734	0.7
105.00140	0.9
105.07018	2.7
106.29024	0.7
107.08603	4.4
109.06551	0.9
109.10179	2.3
110.97575	3.9
116.98618	1.1
117.07003	1.0
119.08567	2.7
121.10159	5.3
128.98601	5.6
131.08569	2.1
133.10144	3.8
135.11714	0.9
137.09624	1.2
143.00218	1.0
143.10667	3.3
145.10152	7.8
146.99669	2.8
147.11732	1.4
149.09639	1.1
151.00664	1.2
153.02252	0.9
157.01875	0.9
157.10210	1.1
158.10852	0.8
159.11665	5.5
163.11182	0.9
165.09142	1.2
169.01721	1.3
171.03325	1.2
175.14803	1.1
177.16446	1.7
181.05383	1.0
185.04922	2.6
187.06425	1.3
187.14813	5.2
189.04427	1.3
189.12787	1.2
197.04863	0.9
199.06422	2.8
203.04279	0.7
203.05865	4.1
203.14246	1.3
211.06483	2.2
213.08003	1.8
215.05974	0.9
215.14447	2.5
217.07518	1.7
223.06564	1.2
223.08638	1.5
225.07980	2.6
226.21628	2.9
230.74706	0.9
231.09299	1.1
233.15382	28.3
235.10085	1.1
237.08026	2.1
239.09567	3.9
243.09047	2.4
245.10744	1.1
251.09636	2.8
253.11121	3.4
255.09077	1.7
256.26379	1.5
257.10617	2.3
265.11240	0.8
269.10641	2.2
280.09726	1.9
307.15948	1.9
331.15793	47.3
332.16061	2.2
349.16876	100.0
350.17316	5.7
354.25180	0.8
367.17953	7.2
372.18478	18.5
372.26099	2.3
372.30597	1.3
372.34973	5.7
373.12869	0.8
373.18985	1.5
373.27377	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.2
56.96563	24.9
57.07071	1.2
57.29932	0.8
60.07243	0.7
62.39731	0.7
67.05505	1.7
69.07058	2.0
71.08615	1.4
71.45076	1.0
78.21202	0.7
79.05497	0.9
81.07047	2.3
81.87509	0.7
83.08629	1.2
87.04457	3.6
88.07647	1.1
91.05479	1.6
93.07051	2.7
95.08588	3.6
97.10135	0.8
97.96802	1.4
98.97573	1.9
105.00159	1.2
105.07023	3.5
107.08588	6.5
109.06523	2.2
109.10183	1.9
110.97558	3.3
116.98564	1.0
119.08570	4.2
121.06497	0.7
121.10135	7.4
123.08081	1.0
127.46132	0.7
128.98586	6.1
131.08563	1.9
133.06508	0.9
133.10149	5.1
135.11728	1.8
137.02731	0.9
137.09642	2.0
141.02232	0.8
143.08534	1.6
143.10657	2.5
144.09340	1.2
145.10127	10.9
146.99632	3.1
147.11693	3.3
149.09621	1.1
155.03773	1.2
157.10156	1.3
158.10916	1.4
159.11673	8.4
161.01213	1.1
161.13229	2.0
169.01720	0.8
171.03226	1.0
172.12474	1.9
175.11166	0.9
175.14816	2.1
177.16319	1.7
179.03716	1.0
183.03310	1.4
185.04834	2.2
187.06505	0.9
187.14810	7.6
189.04279	1.0
189.12759	2.4
190.05107	1.1
191.06082	0.9
191.14261	1.5
197.04831	1.3
199.06413	1.8
203.05910	3.6
203.14159	0.9
205.07492	1.0
211.06339	1.1
215.14328	2.3
217.07518	2.3
221.08505	0.9
223.02789	1.5
223.08537	1.3
225.07939	3.5
226.21648	3.0
227.09761	1.2
231.09204	1.0
233.15353	43.2
235.09947	1.4
237.04390	1.3
237.07965	2.8
239.09517	3.0
243.09062	2.4
249.07973	0.8
251.09547	3.3
253.11095	2.9
255.09007	2.0
256.26385	1.6
257.10645	1.5
263.09396	0.9
265.10849	0.8
269.10645	1.0
271.12103	1.7
280.09760	2.1
307.15689	1.4
312.28702	0.8
316.68906	0.9
329.24448	1.1
331.15750	45.0
332.16373	1.9
349.16849	100.0
350.17258	6.6
355.26270	2.3
367.17953	9.3
371.25427	0.9
372.18500	19.9
372.26102	3.5
372.35010	3.9
373.12781	2.0
373.19070	1.1
373.27347	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	372.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33142	0.4
55.05556	0.9
56.96332	0.7
56.96634	5.9
57.07132	0.7
67.05576	1.5
69.06808	0.4
69.07148	1.3
71.05062	0.5
71.08714	0.4
71.95313	0.5
77.00966	0.5
79.05541	0.7
80.94907	0.7
81.07127	1.4
83.82216	0.3
90.79377	0.4
93.07160	0.6
95.05078	1.2
95.08671	0.9
95.27354	0.4
97.06625	1.4
98.97677	1.6
99.08160	1.1
100.73520	0.4
105.07111	0.8
107.08687	0.8
108.02591	0.4
109.06583	0.4
110.97686	2.1
116.98738	0.8
119.08704	1.2
121.06687	0.4
121.10237	1.2
123.08163	0.8
128.98621	3.1
129.07054	0.4
131.00247	0.5
131.08675	0.6
133.10229	1.1
135.08101	0.4
143.00307	0.6
145.10246	1.1
146.99590	2.1
149.01297	0.5
151.00720	0.6
153.02299	0.7
155.03831	0.5
157.01805	0.5
157.10132	0.7
159.11691	0.5
161.01248	0.5
167.03850	0.8
171.03278	2.3
175.02916	0.6
181.05453	0.5
183.03377	0.6
185.04881	3.8
187.08157	0.5
187.14958	0.7
189.04411	1.0
191.07680	0.4
193.05458	0.6
197.04924	0.5
199.06421	4.9
199.07875	0.5
203.05907	3.8
203.14320	0.5
205.01848	0.8
205.07567	0.6
209.06886	0.5
211.06502	0.9
213.08096	0.5
215.14352	0.4
217.07460	6.2
217.09264	0.5
219.03424	1.1
219.06825	0.5
219.10732	0.6
223.02759	2.0
223.06415	0.5
223.08485	0.7
225.07990	0.5
226.05208	1.4
226.07339	0.4
231.06999	0.6
231.09087	0.4
233.15369	2.9
237.04300	3.3
239.11269	0.5
239.53763	0.4
249.08109	0.5
251.05794	0.5
253.11226	1.2
255.05397	0.5
262.08871	1.4
267.09064	1.8
268.26193	0.8
271.12244	0.7
277.18060	0.4
279.09189	0.5
280.09656	3.4
281.10480	0.6
285.10019	0.7
289.14703	0.6
297.10150	0.9
298.10843	0.9
303.11557	0.4
305.21143	0.6
307.15808	1.7
310.31116	0.6
331.15631	26.7
332.15912	1.9
337.17178	0.6
349.16818	100.0
350.17139	6.6
354.18866	0.4
367.17892	2.9
372.18402	16.7
372.34625	1.3
373.13458	0.4
373.18759	1.3
373.27438	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	372.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	19.3
58.78719	2.0
59.05000	4.9
60.04520	3.3
61.02924	6.1
69.03429	72.3
69.43938	6.1
69.44318	4.3
69.46769	1.8
73.02917	4.3
75.05935	2.2
80.45151	1.9
81.03410	2.7
85.02902	89.8
87.04465	50.7
91.03964	2.3
93.66586	2.0
94.30254	2.0
97.02892	57.1
98.22752	4.2
99.04466	3.8
109.02897	3.1
109.58657	2.2
115.03930	80.3
127.03925	19.6
133.04964	100.0
145.04965	46.4
150.07597	7.9
151.03920	2.4
157.45236	1.8
163.06013	27.7
175.01224	1.9
186.71776	2.0
223.11696	4.6
241.07109	3.6
249.05832	2.2
259.08130	4.5
269.66412	2.5
277.09143	4.1
295.10211	5.3
312.33295	2.3
344.11713	2.3
373.14520	8.1
373.18671	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	372.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29874	3.9
55.05507	8.6
67.05489	15.2
69.07059	5.3
71.05743	5.1
76.71269	3.8
79.05495	23.1
81.03424	17.3
81.07064	20.1
82.88684	3.7
83.04965	6.4
83.08639	4.2
85.06573	4.0
91.00143	3.4
91.05454	22.0
91.31256	3.4
93.07045	15.1
95.04967	9.0
95.08643	7.3
97.06544	12.2
105.07036	14.6
107.04978	5.5
107.08582	5.8
109.06528	4.7
109.10165	5.5
117.44356	4.8
119.08595	10.4
121.10125	8.0
129.06985	9.7
133.10130	11.0
135.11642	5.0
147.11751	7.3
149.09715	4.6
159.04443	8.3
161.02399	8.4
163.03944	28.0
173.02347	13.6
173.05966	6.5
175.03925	5.0
175.11205	11.8
176.11957	7.1
177.12865	6.2
185.05902	6.2
187.03896	15.2
193.12201	7.5
199.03926	14.1
201.05516	5.8
203.63016	4.4
213.05470	26.9
239.07072	6.3
239.78270	4.1
257.11264	6.7
267.13809	11.2
285.14471	4.1
311.12689	6.0
313.36804	4.3
337.14145	27.5
355.15601	20.1
372.18417	100.0
373.19528	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	373.2221
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
55.05518	8.2
57.03431	1.9
57.07071	2.3
61.09663	1.3
67.05502	14.0
69.03426	5.8
69.07065	12.1
70.74062	1.4
70.74392	1.6
71.04998	2.6
71.99032	1.4
79.05501	2.9
79.64892	1.4
81.03469	1.7
81.07066	17.0
83.04988	7.9
83.08612	7.0
84.45866	1.2
85.02886	6.9
85.06572	2.9
91.05505	3.1
93.07043	9.6
95.08607	29.2
97.02934	2.0
97.06557	1.6
99.08101	2.7
105.07060	5.0
107.08589	19.8
109.06533	9.5
109.10156	100.0
110.10490	1.3
111.08083	2.8
119.08580	34.9
121.10158	11.4
122.11652	1.6
123.08059	11.0
123.11715	7.8
125.09582	1.7
127.03914	1.6
127.11205	1.7
133.10130	20.2
135.11693	98.2
136.12038	2.8
137.09593	12.8
139.11198	2.2
147.11746	1.6
149.13278	6.4
151.11171	7.2
151.14813	12.3
153.12790	1.6
165.16380	2.0
175.14822	43.1
193.15889	61.6
211.16934	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.5
57.07072	4.1
59.05000	3.3
61.02930	2.2
64.24448	1.1
67.05501	15.7
69.03423	7.7
69.07059	11.5
70.95366	2.2
71.04993	1.8
73.37737	1.1
77.64830	1.0
79.05486	2.9
81.07065	15.3
83.04978	7.8
83.08614	7.1
85.02905	6.5
85.06535	2.4
86.78306	1.2
91.05478	2.6
93.07030	8.0
95.08603	34.8
97.02918	1.5
97.06566	2.2
97.10146	1.9
99.08093	2.5
103.85582	1.3
105.07034	5.1
105.29025	1.2
107.07911	2.1
107.08588	20.8
109.06528	6.2
109.10155	98.5
110.10502	2.0
111.08095	3.9
112.33810	1.1
113.09624	1.4
119.08575	40.3
121.10130	14.0
123.08064	12.7
123.11691	7.4
130.42584	1.3
133.10124	21.8
135.11685	100.0
136.12036	5.4
137.09612	14.1
138.10358	1.2
149.13211	6.8
151.11162	7.5
151.14819	10.6
153.12718	2.7
154.11378	1.2
165.16432	2.4
175.14810	45.4
176.15192	3.0
193.14093	3.0
193.15874	63.8
194.16191	3.9
211.16928	63.9
212.17329	2.9
393.52130	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
55.01852	0.3
55.05259	0.3
55.05506	3.2
57.03441	0.4
57.07077	1.1
58.00584	0.2
59.04988	0.4
65.03922	0.4
67.05164	0.3
67.05502	4.9
69.03401	0.6
69.07067	4.2
69.27834	1.1
71.04993	1.7
77.03933	0.3
79.05493	3.4
81.03400	0.3
81.07051	6.5
83.04956	0.6
83.08605	3.0
84.02087	0.2
85.06522	0.8
91.05470	5.0
93.07043	8.0
95.04971	1.4
95.08601	8.7
96.08944	0.3
97.06531	1.3
97.10153	1.1
99.08055	0.6
105.04509	0.3
105.07026	8.4
106.07287	0.2
107.04939	0.6
107.08588	20.9
108.08904	0.6
109.06512	2.1
109.09424	0.2
109.10155	4.3
111.08060	0.6
115.05437	0.3
115.07545	0.4
117.07002	2.5
119.08576	22.4
120.08911	0.8
121.06513	3.4
121.10143	14.6
122.10460	0.4
123.08057	5.2
123.11707	1.4
125.09612	0.7
129.06999	0.7
130.07762	0.8
131.07649	0.4
131.08563	5.5
133.06462	0.7
133.10120	19.2
134.10431	0.6
135.08051	2.9
135.11687	3.9
137.09599	3.4
141.07018	0.4
142.07695	0.3
143.08562	2.6
144.09344	1.4
145.10117	23.0
146.10468	1.1
147.08061	2.4
147.11674	5.5
147.12839	0.2
149.08459	0.4
149.09616	5.1
149.13196	1.2
150.09926	0.3
151.11180	0.6
155.08545	0.5
156.09283	0.4
157.10135	3.4
158.10933	2.5
159.08075	1.4
159.11687	14.1
160.12051	0.8
161.09616	3.7
161.13264	2.8
163.07452	0.3
163.11168	0.9
163.14812	0.9
165.09122	1.7
167.08539	0.4
167.10666	3.0
168.09299	0.2
169.10109	0.6
170.10846	0.5
171.11626	1.5
172.12465	4.7
173.09563	1.3
173.11707	0.6
173.13223	2.4
174.13745	0.3
175.11223	1.4
175.14815	6.8
176.15163	0.3
177.09158	0.3
177.12758	1.6
177.16367	2.4
181.10126	0.2
182.10901	0.5
183.11736	0.4
185.09741	0.3
185.13251	2.6
187.11194	0.9
187.13452	0.9
187.14804	24.6
188.15146	1.1
189.12718	0.9
189.16365	2.1
191.10704	0.3
191.14207	0.5
195.11723	0.2
197.13290	1.1
199.14772	0.5
201.12686	1.5
201.16414	0.4
203.12891	0.6
203.14311	15.5
204.14722	0.5
205.15858	2.8
207.17484	0.4
209.13304	0.2
211.14787	0.5
213.12718	0.9
213.16328	0.5
215.14310	19.9
216.14587	1.2
217.15869	4.3
217.17772	0.4
218.16051	0.4
221.15358	0.4
223.14771	0.3
225.16389	0.3
227.14171	0.5
229.15855	1.0
233.15352	100.0
234.15707	6.3
235.16937	2.0
239.17834	0.3
241.15802	0.4
241.18028	0.6
243.17456	0.6
251.16393	0.6
257.19052	0.3
261.18481	0.9
263.17856	0.3
269.19040	0.3
275.20023	0.8
289.21408	0.3
309.25952	0.3
311.23730	0.3
319.24219	0.4
325.25250	2.5
326.25803	0.3
329.24689	0.4
337.25269	3.2
343.08151	0.5
343.26318	4.9
344.26569	0.7
351.18124	0.3
355.26291	10.2
356.26541	0.7
373.17490	4.1
373.27347	73.9
374.17798	0.5
374.23050	0.4
374.27686	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	373.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16455	0.3
55.05507	2.2
57.07046	1.1
59.68456	0.3
67.05495	1.9
69.07066	3.3
79.05488	3.2
81.06621	0.4
81.07044	4.3
83.04974	0.4
83.08617	2.9
85.06521	0.7
91.05459	4.3
93.07035	6.1
95.04963	0.6
95.08602	8.4
96.08939	0.4
97.06489	0.3
97.10098	0.5
98.23434	0.8
101.43892	0.4
105.07024	7.3
107.08590	19.7
108.08916	0.6
109.06525	2.4
109.10148	3.5
117.07037	2.4
119.08573	21.8
120.08898	0.6
121.06503	2.7
121.10139	14.3
123.08064	5.3
123.11670	1.1
125.09605	0.7
128.06261	0.4
129.07030	0.5
130.07733	0.9
131.08574	4.5
131.25134	0.3
133.06456	0.5
133.10120	20.6
134.10437	0.6
135.08011	2.7
135.11687	2.8
137.09601	3.0
143.08542	2.3
144.09285	1.5
145.10118	21.9
146.10483	0.7
147.08040	2.6
147.11670	5.5
149.09605	4.4
149.13211	1.1
151.11177	0.5
155.08527	0.7
157.10133	3.4
158.10901	3.0
159.08087	0.8
159.11685	15.2
160.12144	0.7
161.09613	3.0
161.13272	2.5
163.11177	1.1
163.14801	0.7
165.09091	1.8
167.10657	3.4
169.10135	0.6
171.11615	1.1
172.12491	4.4
173.09584	1.4
173.13225	2.6
175.11168	1.3
175.14819	7.5
176.15158	0.4
177.12714	1.3
177.16364	2.6
182.10915	0.5
182.58463	0.4
183.11691	0.5
185.13234	2.1
187.14807	25.3
188.15172	1.4
189.12715	0.8
189.16380	2.1
191.10606	0.5
191.14336	0.5
195.11636	0.4
197.13222	1.0
199.14838	0.6
201.12709	1.1
201.16365	0.4
203.14293	15.6
204.14626	1.0
205.15866	2.8
206.16180	0.4
213.12770	0.8
213.16354	0.5
215.14304	21.9
216.14621	1.9
217.15855	4.7
225.16428	0.4
233.15349	100.0
234.15666	7.4
235.16830	2.5
243.17473	0.6
251.16447	0.5
261.18460	0.6
311.23746	0.4
319.24167	0.6
325.25369	2.4
327.55667	0.3
337.25250	3.0
343.26288	5.5
344.26791	0.6
355.26266	8.6
356.26575	0.8
367.41602	0.4
373.27350	68.1
374.27682	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	373.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56206	0.8
55.05494	2.1
57.03434	3.7
64.90618	0.9
67.05496	5.4
69.03424	1.7
69.07066	3.4
71.04980	1.0
79.05488	6.6
81.03409	4.4
81.07052	8.2
83.08630	2.6
85.06538	1.5
91.05482	8.1
93.07040	6.9
95.04965	4.0
95.08609	7.5
97.06541	1.2
97.10168	1.5
102.52177	0.8
105.07037	6.0
107.04948	3.1
107.08598	7.0
109.06519	6.0
109.10146	9.4
111.08102	1.3
113.05985	1.6
117.07027	1.1
119.08578	10.8
121.06528	9.5
121.10099	5.7
123.08067	17.9
123.11692	1.0
125.53133	0.9
126.90788	0.9
127.11172	0.9
128.06244	1.0
129.07005	2.0
131.08578	3.7
133.10132	23.8
134.10449	1.3
135.08035	3.0
135.11722	1.7
137.09633	6.5
139.07512	2.0
143.08617	1.7
145.06468	1.2
145.10123	7.8
147.04413	1.1
147.08063	2.5
147.11690	4.2
149.06068	1.3
149.09628	4.0
149.13336	1.1
151.03864	4.6
153.01830	5.9
155.08582	0.9
157.10143	2.2
159.04393	0.9
159.08058	7.0
159.11639	4.2
161.02336	2.0
161.09610	2.5
161.13179	1.3
162.06773	1.5
163.03903	5.4
163.07555	3.1
165.05460	2.7
165.09137	3.9
165.12726	1.3
167.08571	1.0
171.02927	1.1
171.10272	1.0
171.11678	1.0
173.02344	3.4
173.05862	1.2
173.09583	3.0
173.13290	2.5
175.11208	2.0
176.11897	1.8
177.12701	1.9
181.01282	1.8
185.05991	1.0
185.13263	1.7
187.03925	3.4
187.11160	1.7
187.14758	5.5
189.16406	3.3
195.08192	1.3
197.06023	1.0
197.13280	2.4
199.04010	2.5
201.16510	1.4
203.03365	1.5
203.14259	1.1
213.05472	4.4
213.12816	2.3
213.16440	1.2
214.05911	1.0
215.14319	19.9
217.15839	6.6
225.05533	1.1
229.15912	3.0
231.17455	1.1
233.15378	23.5
239.07010	2.0
243.17467	2.4
247.16899	2.1
251.07150	1.0
261.18445	7.1
267.06693	1.2
267.13754	1.9
268.07288	2.2
269.08017	2.0
281.22687	1.6
283.09586	1.9
295.05984	2.2
296.06830	3.4
297.07590	2.1
299.05466	1.5
301.13092	1.4
311.05835	1.4
311.09106	5.3
311.12482	1.7
312.09808	16.1
313.07059	4.5
313.10205	1.9
314.07822	1.6
315.08676	8.0
323.05411	1.2
327.04926	4.1
327.08676	7.2
328.05615	2.4
328.09149	1.4
329.10178	12.9
337.14407	6.0
337.25330	5.4
339.08716	5.8
340.09286	4.6
341.06641	3.4
341.10132	2.8
343.08136	32.9
344.08426	3.8
355.15323	3.4
355.26306	15.2
356.26678	1.9
357.09671	11.1
358.10431	5.7
373.12817	100.0
373.27374	95.9
373.32214	1.9
374.13046	8.4
374.27612	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	373.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.3
55.05511	2.6
57.07055	1.1
61.02893	0.3
67.05208	0.3
67.05507	2.9
69.03425	0.3
69.07061	3.2
71.04963	0.4
79.05109	0.3
79.05490	3.5
81.07054	5.2
83.04973	0.5
83.08621	3.1
85.06526	1.1
88.78371	0.3
91.05473	4.4
93.07047	6.8
95.04948	1.0
95.08029	0.6
95.08601	8.4
97.06525	0.3
97.10166	0.6
103.05472	0.4
105.07026	7.7
107.04955	0.6
107.08589	19.8
109.06518	2.0
109.10148	3.6
111.08081	0.6
115.05461	0.4
117.07028	2.0
119.08577	21.1
120.08830	0.4
121.06492	2.8
121.10136	12.7
122.10435	0.4
123.08071	6.4
123.11683	1.0
129.06973	0.8
130.07800	0.7
131.08568	5.2
133.06454	0.7
133.10124	18.2
134.10432	0.4
135.08049	2.4
135.11699	2.6
137.09621	3.2
141.06956	0.6
143.08542	2.2
144.09311	1.1
145.10120	22.2
146.10481	0.9
146.48158	0.3
147.08046	3.0
147.11668	4.4
149.09630	4.5
149.13298	1.5
151.11180	0.5
155.08501	0.5
156.09293	0.4
157.10127	3.4
158.10924	2.7
159.08040	1.3
159.11688	15.3
160.11980	0.4
161.09589	3.2
161.13240	2.4
163.11176	0.9
163.14830	1.3
165.09099	1.7
167.10675	3.4
169.10100	0.6
170.10811	0.4
171.11699	1.0
172.12471	5.1
173.09633	1.2
173.13281	2.1
175.11258	1.3
175.14807	7.3
177.12764	1.3
177.16360	3.0
181.10164	0.4
182.10780	0.4
185.13264	2.0
187.14810	25.1
188.15140	1.1
189.12733	0.6
189.16400	1.9
197.13242	1.1
199.14752	0.4
201.12706	1.2
201.16382	0.6
203.14311	16.4
204.14613	0.5
205.15860	2.3
211.14856	0.6
213.12683	0.8
213.16302	0.6
215.14307	22.2
216.14664	0.8
217.15863	4.4
227.14134	0.3
229.15831	0.6
233.15355	100.0
234.15678	5.0
235.14865	0.3
235.16875	1.9
241.15872	0.4
243.17403	0.9
251.16299	0.6
254.20000	0.3
261.18494	1.2
281.19070	0.4
309.25763	0.4
311.23605	0.3
319.24106	0.4
325.25262	2.1
326.25070	0.3
329.24881	0.3
337.25204	2.9
343.26318	5.4
344.26706	0.5
355.26300	9.0
356.26657	0.7
373.27359	71.5
374.27670	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	373.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45792	0.6
55.05494	3.0
57.03425	0.9
57.07061	1.0
65.95882	0.6
67.05502	5.9
69.03426	0.8
69.07073	4.8
71.04961	1.0
71.43575	0.7
79.05500	4.5
81.03415	0.9
81.07060	7.0
83.04955	0.9
83.08597	2.9
84.95984	0.7
85.06507	1.3
91.05474	5.9
93.07042	8.0
95.04939	1.8
95.08604	10.3
97.06523	0.8
97.10161	1.1
103.05467	1.0
105.07026	9.2
107.04941	1.1
107.08591	23.8
109.06490	2.4
109.10159	6.0
111.08060	1.1
117.06989	2.7
119.07749	1.3
119.08581	25.1
121.06503	3.5
121.10146	15.5
123.08066	6.2
123.11643	1.6
125.09600	0.8
126.88784	0.6
129.06975	1.0
131.04900	0.8
131.08560	5.4
133.06490	0.8
133.10123	20.7
134.10410	1.1
135.08069	3.9
135.11656	4.0
137.09624	3.0
143.08539	3.7
144.09346	1.5
145.10124	25.3
146.10455	0.8
147.08023	2.3
147.11687	5.3
149.09602	5.5
149.13239	1.2
151.11156	1.1
155.08531	1.0
157.10118	4.2
158.10905	3.3
159.08047	0.9
159.11699	15.1
161.09660	3.4
161.13243	3.4
163.03917	1.3
163.11142	1.3
163.14827	1.4
165.09099	2.2
167.10669	3.3
170.10913	0.9
171.11691	1.6
172.12468	5.0
173.09583	1.5
173.13269	2.4
175.11159	2.6
175.14832	7.2
177.12775	1.6
177.16370	2.8
182.10912	0.8
185.13263	2.2
187.14812	26.3
188.15167	1.4
189.12691	1.1
189.16380	1.6
197.13275	2.1
199.03767	0.9
199.14819	0.7
201.12701	1.8
201.16344	0.9
203.14317	16.6
204.14627	1.2
205.15878	3.9
213.05321	1.5
215.14313	25.0
216.14600	1.6
217.15857	5.1
229.15895	0.8
233.15359	100.0
234.15648	6.6
235.16983	2.1
251.16412	0.9
261.18405	1.6
304.65375	0.6
307.24112	0.9
325.25214	2.0
337.14456	1.2
337.25244	2.6
343.26401	5.6
355.15012	0.9
355.19073	1.1
355.26300	9.4
356.26666	0.9
361.80630	0.7
373.12650	1.7
373.19611	6.5
373.27365	73.0
374.27640	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	373.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72072	0.2
55.05506	1.4
56.96547	1.0
57.07051	1.0
62.19425	0.2
63.26268	0.2
64.54138	0.2
65.03922	0.3
67.05503	2.0
69.06722	0.2
69.07068	3.2
70.06589	0.4
71.04969	0.3
71.44904	0.2
77.03929	0.2
79.05491	2.1
79.95695	0.2
80.94886	0.3
81.07050	4.3
81.58160	0.3
83.04976	0.6
83.08629	2.4
83.81177	0.2
85.06522	0.7
88.07602	0.6
90.91257	0.2
91.05466	2.8
93.07047	5.0
95.04942	0.6
95.08028	0.3
95.08606	6.0
97.06510	0.8
97.10141	0.3
102.09147	0.5
105.07029	6.8
107.04968	0.5
107.08595	11.9
108.08893	0.4
109.06530	3.5
109.10160	2.7
111.08089	0.4
117.07030	1.9
119.08585	9.9
120.08923	0.3
121.06526	1.4
121.10146	14.8
122.10458	1.0
122.24289	0.2
123.08064	1.7
123.11690	1.0
125.09586	0.2
129.06976	0.6
130.07779	0.8
131.08571	3.9
133.06482	0.8
133.10124	12.5
134.10440	0.7
135.08084	1.8
135.11694	3.5
137.09586	1.6
142.07797	0.3
143.08575	2.5
144.09348	1.8
145.10120	26.4
146.10463	1.2
147.08051	1.4
147.09023	0.3
147.11684	4.7
149.09599	1.1
149.13242	1.1
157.10139	2.4
158.10913	4.6
159.08054	0.5
159.11691	21.5
160.12022	1.2
161.09604	1.3
161.13248	3.0
163.11159	1.0
163.14867	1.2
165.09103	0.9
167.10664	0.4
171.11649	0.9
172.12454	4.0
173.09612	0.4
173.13258	1.5
174.10362	0.4
174.13881	0.4
175.11176	0.7
175.14824	3.6
177.12767	1.7
177.16389	3.9
183.11684	0.3
185.13222	1.0
187.14815	17.5
188.15125	0.9
189.12726	5.1
189.16379	0.4
190.13206	0.4
191.14302	2.8
197.13396	0.3
199.14793	0.5
203.14313	1.8
205.15842	1.5
209.13203	0.3
215.14316	3.2
217.15863	0.7
221.15437	0.5
229.15755	0.3
233.15356	100.0
234.15674	5.5
234.17902	0.4
252.09946	0.3
293.22629	0.3
311.23709	1.0
312.32617	1.0
329.24817	1.9
330.33502	0.3
331.15891	0.3
332.16089	2.0
337.17740	0.3
337.25204	0.9
338.94742	0.3
343.07996	0.5
343.26035	0.3
346.27240	0.4
349.16953	0.4
350.17136	3.6
355.26334	4.2
356.26819	0.4
373.12872	1.0
373.27359	68.2
374.27499	7.0
374.35901	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	373.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.1
57.03411	0.3
57.07061	1.0
57.99746	0.3
59.11440	0.3
67.05499	3.0
69.07066	3.5
71.29519	0.5
79.05476	3.7
81.07046	4.8
83.04963	0.3
83.08615	3.3
85.06515	1.4
91.05476	4.0
93.07036	6.7
95.04965	1.1
95.08032	0.5
95.08602	7.4
97.06510	0.5
97.10152	0.7
105.07019	7.3
107.04980	0.4
107.08586	18.1
108.08878	0.4
109.06510	2.4
109.10155	4.4
117.07024	2.6
117.93462	0.3
119.08573	18.6
120.08903	0.8
121.06516	3.5
121.10139	13.2
122.10437	0.4
123.08060	4.3
123.11675	1.2
125.09658	0.4
128.06171	0.4
129.06995	0.4
130.07748	1.1
131.08554	4.7
133.06458	1.1
133.07491	0.5
133.10123	16.8
135.08040	2.3
135.11690	3.1
137.09616	3.2
143.08522	2.5
144.09286	1.2
145.10115	22.9
146.10504	0.7
147.08054	2.0
147.10574	0.5
147.11674	4.8
149.09618	3.9
149.13177	1.2
156.09317	0.4
157.10081	3.7
158.10921	2.5
159.07994	1.0
159.11685	15.3
160.12071	0.7
161.09618	2.6
161.13226	2.9
163.11111	0.9
163.14850	1.0
165.09108	1.5
167.10661	2.0
169.10083	0.6
171.11659	1.0
172.12463	4.4
173.09569	1.2
173.13226	2.3
175.11136	1.1
175.14832	6.2
177.12733	1.6
177.16373	3.0
182.10829	0.5
185.13202	2.0
187.14799	24.0
188.15163	1.2
189.12730	2.3
189.16422	1.2
191.14302	1.1
197.13257	1.2
199.14767	0.8
201.09676	0.6
201.12695	0.9
201.16362	0.8
203.14301	12.5
203.16225	0.6
205.15849	2.0
211.14925	0.4
213.09657	0.7
215.11238	0.8
215.14291	17.8
216.14627	1.0
217.15872	3.2
225.16425	0.4
229.15904	0.7
231.10606	0.5
233.15343	100.0
234.15709	5.2
235.16905	2.1
237.16367	0.4
243.17371	0.6
245.12415	0.4
251.16405	0.6
261.18503	0.9
267.10837	0.4
325.25198	1.6
329.24777	1.1
333.19183	2.2
337.25235	2.5
343.08121	1.5
343.26248	4.6
351.20108	1.8
355.22278	0.6
355.26328	7.4
356.26718	0.5
373.12485	1.1
373.27344	65.2
374.27600	7.0
387.10651	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	26.0
55.01870	16.4
55.05514	42.7
57.07063	16.4
58.05924	4.9
65.03948	6.6
67.05508	75.6
69.03457	7.4
69.07076	35.2
71.04987	12.8
79.05492	59.5
81.03423	46.3
81.06626	8.5
81.07061	100.0
83.04968	18.5
83.08623	15.9
85.06544	8.5
91.05476	57.1
93.07057	70.4
94.17693	5.2
95.01338	6.0
95.04957	27.6
95.08607	62.5
97.06535	8.3
101.19592	4.5
104.71378	4.6
105.07027	62.8
107.04941	31.5
107.08611	35.0
109.06521	13.3
109.10161	19.3
111.08093	7.3
117.07055	31.5
119.08589	36.6
121.06509	31.6
121.10123	18.6
123.08043	18.1
128.06201	6.6
129.06995	24.6
131.08571	39.0
133.06487	12.8
133.10167	26.8
135.08029	12.5
135.11707	24.2
138.48726	4.8
141.07007	18.0
142.07814	13.0
143.08578	52.1
145.06491	14.4
145.10118	32.3
147.08064	13.9
147.11693	12.0
149.09656	7.0
149.13254	6.1
150.90701	4.9
155.08559	17.0
156.09396	5.6
157.10117	52.5
159.08099	13.2
159.11664	33.2
161.09592	16.1
161.13254	11.0
163.11185	5.9
169.10107	24.7
171.11716	20.4
173.09634	8.7
173.13235	10.7
175.11198	8.9
177.12784	34.7
183.11707	13.1
185.03329	4.6
185.13242	13.7
187.11176	17.9
187.14819	6.8
188.62637	5.6
193.14250	4.8
195.13748	6.9
197.13228	5.9
199.11165	5.2
199.14819	50.3
201.12737	7.8
205.12277	5.3
213.16396	11.5
215.14429	5.6
217.15973	5.5
224.74268	5.3
227.17952	9.7
229.15761	5.0
239.18152	7.4
241.14207	7.5
257.19022	5.7
326.34561	6.6
327.26755	6.0
332.71429	5.4
337.25488	11.7
343.08115	29.5
355.26328	80.5
356.26685	10.6
373.12561	24.9
373.27429	64.4
374.36203	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.274
Annotation	3-Oxo-chol-4-en-24-oic acid
Peak:m/z	Relative Intensity
53.03940	25.3
55.01866	16.4
55.05513	49.8
57.03429	5.9
57.07071	12.6
65.03922	4.9
67.05504	83.1
69.03435	8.0
69.07064	32.4
69.36569	16.5
71.04980	9.3
72.88108	2.8
74.87021	2.9
77.03964	3.7
79.05488	56.9
81.03420	57.0
81.07053	100.0
81.07500	6.3
82.07391	3.5
83.04972	23.5
83.08611	20.5
85.06532	5.6
87.04507	4.4
91.05477	63.9
93.07037	69.7
95.01340	9.7
95.04976	25.1
95.08601	60.3
97.06534	14.0
97.10184	10.0
99.08122	6.2
105.04525	4.5
105.07022	56.6
107.04957	39.9
107.08579	41.8
109.06527	12.7
109.10163	17.3
111.08100	8.4
115.05489	5.3
115.07623	3.0
115.28272	3.4
117.07013	28.8
119.04951	4.6
119.08571	46.0
121.06509	23.3
121.10150	20.9
123.04443	4.0
123.08063	29.7
127.23573	3.2
128.06232	12.3
129.06998	30.1
131.04880	4.6
131.08551	40.2
133.06477	18.8
133.10120	30.6
135.08064	17.2
135.11668	19.0
137.09569	3.6
141.06996	15.2
142.07788	10.2
143.08557	45.8
145.06497	22.6
145.10120	28.8
147.08022	17.3
147.11726	16.0
149.09622	20.1
149.13310	11.3
154.07826	4.2
155.08580	11.0
156.09378	5.6
157.10133	38.4
159.08047	15.6
159.11696	27.4
161.09619	15.0
161.13295	10.9
163.11212	4.6
169.10132	25.0
171.11684	24.9
173.09663	6.1
173.13295	9.1
175.11195	13.8
175.14734	4.6
177.12747	45.7
181.10278	4.2
183.11719	8.8
185.13248	17.8
187.11227	19.1
187.14822	11.7
189.12814	6.3
189.16446	4.4
191.14333	6.1
195.11809	4.2
195.13806	9.8
197.13263	10.1
199.14821	55.7
201.12856	5.1
201.16393	6.0
203.14378	6.1
205.12137	6.5
205.15886	4.6
211.14876	10.2
213.16458	21.0
215.14253	5.9
215.35638	3.3
217.15883	5.3
223.13075	3.7
225.16414	10.7
227.17902	15.9
229.15814	5.1
239.18060	5.6
241.14178	7.4
269.11285	3.9
299.20041	6.8
313.21747	4.7
327.22983	3.7
327.26794	13.0
337.25238	20.0
343.08194	9.0
345.27704	3.8
355.26273	97.4
356.26663	9.2
373.12463	9.6
373.27414	57.8
374.27820	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	374.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61277	0.2
70.71039	0.2
72.37348	0.1
98.98472	2.2
118.06539	3.9
118.07394	0.2
119.07355	0.2
125.00002	9.5
130.06465	0.2
132.08066	1.3
133.08846	0.7
134.09630	0.4
137.05942	0.3
144.08078	6.9
145.08731	0.2
146.09662	1.3
147.10419	0.2
151.03937	0.8
158.09654	2.9
159.10460	1.0
159.11559	0.2
160.11278	0.5
162.09149	2.5
172.11192	2.1
173.12015	0.1
176.10817	1.9
176.14340	16.1
177.11447	0.7
177.14723	0.6
190.12210	1.3
202.15897	44.4
203.16269	1.8
220.16953	100.0
221.17296	4.6
300.13571	8.7
301.13821	0.4
356.16068	0.6
374.17255	22.3
375.17630	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
69.03398	0.6
74.71161	0.5
76.80392	0.5
79.05482	0.6
85.02896	0.5
91.05483	0.7
93.03360	0.5
93.06985	1.2
95.04946	0.7
97.02866	0.5
98.98440	2.7
103.05444	3.1
104.05803	1.0
105.07033	0.7
107.04921	1.7
108.05244	0.8
111.48717	0.5
118.06535	4.0
119.05025	0.5
121.06454	0.5
122.03617	0.7
124.99992	8.4
131.04916	4.1
132.05247	1.8
132.08083	0.8
133.10130	0.7
137.05968	5.7
137.81779	0.5
138.06332	1.3
141.26842	0.5
144.08084	6.2
145.08510	0.5
146.09610	1.3
147.04359	0.8
149.05980	0.6
150.06313	0.5
151.03893	1.4
158.09630	2.3
159.10420	1.3
160.11111	0.6
161.05962	0.9
162.09131	2.2
163.07544	3.8
164.07855	2.4
167.07028	1.5
168.07405	0.9
169.33023	0.4
172.11198	1.8
176.10703	1.4
176.14328	15.9
177.11427	0.9
177.16447	0.4
179.07040	0.7
190.12233	1.4
193.08582	1.3
196.10535	0.8
202.15895	41.7
203.16283	1.7
211.34966	0.5
220.16954	100.0
221.17328	4.7
253.08365	0.6
300.13589	8.0
314.11063	0.7
342.10416	1.2
342.14133	1.1
356.16010	0.8
374.13428	0.9
374.17245	20.3
375.17551	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.4
56.96563	21.4
57.07079	2.2
58.06569	0.5
67.05489	0.7
69.07056	1.3
69.64631	0.7
69.65018	1.0
70.06239	0.5
70.06593	6.0
71.08620	1.0
71.95252	0.6
72.08142	0.5
72.96030	0.8
74.97591	0.4
77.31990	0.3
80.94843	1.0
81.07056	0.9
84.08149	2.3
84.96002	0.4
85.10193	0.5
86.09705	7.7
88.07629	7.1
91.05495	0.6
93.07028	0.4
94.03616	0.4
97.96810	1.1
98.97578	0.9
102.09180	3.7
105.00154	1.4
107.08633	0.4
109.06499	0.4
110.97555	3.3
112.07575	1.2
115.00673	0.5
115.97829	0.6
116.79858	0.3
119.01698	0.3
123.01180	1.2
128.98601	3.7
129.44659	0.4
132.10197	0.8
133.01698	0.5
137.02759	1.2
139.00676	0.7
139.30255	0.3
141.02199	1.2
143.00284	0.4
146.99612	1.8
150.11317	0.8
151.00658	0.6
151.04346	0.5
153.02211	1.0
154.12263	0.5
155.03743	1.0
157.01765	0.5
159.03253	1.0
161.01192	0.8
165.02142	0.5
165.12769	2.6
167.03835	0.5
169.01828	0.5
169.05424	0.4
171.03290	1.5
171.06850	0.8
173.04884	0.9
175.06476	0.4
181.05305	0.7
183.03256	0.6
183.06868	0.5
185.04869	1.7
189.04385	0.8
189.06377	0.6
189.07967	3.4
195.06920	0.9
197.04851	1.3
197.08414	0.4
199.06400	2.4
201.07924	0.9
203.05858	1.9
203.07520	0.4
203.09506	0.4
205.07394	0.7
205.09081	0.5
207.06972	1.0
207.08932	0.7
211.06462	1.9
213.07933	1.7
215.06009	0.8
215.09740	0.7
217.07533	1.3
219.06981	0.6
221.08560	0.8
223.10004	0.5
225.07990	3.1
229.07452	1.7
231.08997	2.0
235.06339	0.4
237.04402	0.5
237.08005	3.5
239.09564	1.6
243.09010	1.1
251.09561	1.5
253.11093	1.9
255.09027	2.1
257.10632	1.0
263.09564	0.6
269.10648	0.8
271.12234	0.5
276.23151	0.7
281.10483	0.7
295.12192	0.6
297.13919	0.4
307.19522	0.9
312.32602	11.9
315.16272	2.2
321.17117	0.5
333.17322	38.5
334.17804	2.5
339.19122	1.7
351.18402	100.0
352.18741	6.7
356.18912	0.6
356.35248	0.8
369.19467	26.5
370.19812	1.8
374.20041	16.5
374.30667	2.5
374.36240	33.5
375.20416	1.3
375.36557	1.2
392.21011	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	374.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96287	1.1
56.96568	21.1
58.62233	0.5
69.82619	1.6
70.06579	1.0
71.95265	1.9
72.96037	0.8
74.97598	0.7
75.64046	0.6
78.20808	0.5
80.94863	4.6
84.96027	1.0
93.53089	0.6
97.96799	5.7
98.97592	1.4
105.00140	1.3
110.97565	13.1
115.97837	2.4
116.98632	0.6
123.01196	0.7
124.99088	0.7
128.40756	0.6
128.98608	13.7
129.09113	0.7
132.10300	0.6
133.98924	0.9
137.02800	0.8
143.00203	2.6
145.10031	0.7
146.99631	5.3
152.00197	0.8
155.03821	0.7
161.01170	1.4
165.00714	0.7
171.03323	1.5
175.02725	0.9
175.77060	0.6
176.03578	0.6
185.04849	1.0
189.04326	1.6
190.05167	2.5
203.05968	1.6
204.06779	1.1
205.07390	0.9
207.06937	0.6
208.06245	1.4
209.08517	0.7
217.07597	0.7
221.08377	0.7
227.09563	0.7
233.15599	0.8
234.15791	1.8
241.11067	1.5
252.10326	1.5
259.12241	1.8
261.07877	0.6
263.09598	5.5
264.10254	1.3
270.11371	1.6
273.13406	0.6
277.11130	1.1
283.07056	0.6
303.12646	1.8
313.14819	0.8
315.16284	46.8
316.16614	3.7
330.33487	0.7
331.15729	2.4
333.17355	100.0
334.17780	5.9
339.18997	2.3
351.18427	32.8
352.18716	2.5
356.18912	11.1
357.19366	1.6
374.20078	3.3
374.27515	1.7
374.36261	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	374.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25396	2.9
51.86689	3.4
55.05508	4.6
58.95073	3.5
58.99884	2.9
63.13824	3.0
64.36484	3.2
67.05503	7.7
69.07082	5.4
69.71479	11.5
77.00916	21.3
79.05518	8.2
81.07063	12.1
91.05481	4.9
93.07052	3.7
95.01963	8.4
95.04989	4.1
95.08605	5.1
98.23474	5.2
105.07078	5.5
107.08601	4.2
109.10171	7.8
119.08593	4.1
131.01927	4.2
132.40825	2.9
141.03981	6.0
142.40425	3.3
145.03453	3.6
151.05905	3.1
155.05516	5.0
167.05533	3.7
169.07103	7.6
171.05043	4.4
173.06595	9.5
173.11731	5.0
183.08656	5.3
185.06577	6.3
187.08157	11.8
192.93367	3.2
195.08661	3.3
201.09695	28.7
207.08841	3.3
209.10239	5.5
213.09729	7.7
215.09393	3.5
215.11307	10.8
219.10802	7.0
221.06554	3.4
223.11842	10.7
227.11307	10.2
233.10143	10.0
237.13446	4.1
239.11258	22.5
241.12804	12.5
249.09749	6.3
251.11258	40.3
253.12883	12.6
255.14423	4.2
257.12302	39.5
258.12863	4.1
262.12891	4.8
263.11340	9.0
265.12903	3.9
267.10690	28.1
269.12338	84.7
270.12595	7.0
271.13916	5.1
274.12894	4.0
281.12296	6.3
290.12418	3.5
291.18182	4.3
292.14096	4.5
309.19006	3.5
313.16479	4.7
315.18079	30.9
333.19073	80.7
334.19427	10.6
344.08569	4.0
351.20172	100.0
352.20532	7.6
356.20804	9.8
374.16946	4.8
374.21716	17.8
375.21417	3.7
384.77356	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	374.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99860	6.8
65.44576	4.1
67.05522	7.9
69.07065	5.8
71.05003	4.9
77.00907	20.2
79.05511	6.8
81.07062	15.6
93.07092	6.1
95.01968	10.2
95.08588	4.8
97.10151	4.8
100.48619	4.0
105.62255	4.6
107.04955	4.5
107.08618	4.3
118.02664	4.5
119.08577	7.3
120.85542	3.9
126.58985	4.5
126.97158	4.1
141.04063	4.6
149.09785	5.3
159.05112	5.7
171.04976	4.2
173.06650	6.6
183.08624	6.2
185.06615	4.2
187.08177	17.6
195.08694	3.9
200.21106	4.0
201.09715	39.1
201.11409	4.9
213.09747	8.5
215.09351	5.2
215.11380	14.6
219.10791	14.3
223.11722	5.0
227.11305	11.9
233.10356	8.9
233.15404	8.0
234.15675	7.4
235.08170	4.6
239.11311	24.4
239.24202	4.3
241.12964	16.4
249.09734	12.0
251.11354	44.2
253.12848	7.3
257.12396	38.1
263.11313	6.4
267.10797	35.3
269.12320	91.8
270.12585	5.3
271.13535	6.4
274.13007	5.8
289.17957	5.9
290.12537	5.6
291.17899	8.6
292.13928	9.6
297.17114	7.0
315.17993	33.5
333.19116	92.2
334.19519	8.0
351.20187	100.0
352.20334	11.1
356.20593	11.2
374.21951	13.0
374.27222	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	374.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	21.7
64.95029	8.0
67.05502	44.1
68.72431	8.1
69.07060	21.1
71.05004	23.2
79.05503	30.0
81.03419	9.7
81.07042	38.2
83.04996	22.3
83.08617	10.6
83.17435	8.7
91.05477	29.7
93.07050	28.4
95.04958	16.3
95.08611	22.4
97.06538	19.4
103.05463	20.7
105.07008	29.9
107.04974	17.9
107.08600	51.0
108.08940	12.3
109.06488	12.6
109.10186	8.5
110.10455	9.9
119.08598	37.0
120.08891	13.4
120.51590	8.6
121.06509	13.5
121.10142	37.3
122.10500	10.1
123.07983	11.3
125.09673	14.1
131.08568	17.1
132.07942	9.5
132.08853	10.3
133.10164	22.7
145.10126	31.6
146.45070	10.2
159.11635	13.6
160.12054	9.6
173.11815	9.5
187.14828	19.1
188.15120	18.0
203.14359	13.3
204.14720	10.1
211.06020	11.4
214.31171	8.4
216.14737	26.4
233.15378	59.6
234.15715	98.2
289.17944	10.0
356.15753	9.7
356.26682	10.3
358.11011	9.2
374.13025	13.2
374.27606	100.0
375.17557	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	374.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81498	5.1
55.01864	10.2
55.05509	32.4
57.03422	17.0
59.04989	9.1
65.03947	7.3
67.05506	94.1
69.03427	13.5
69.06712	6.5
69.07067	92.3
69.45486	17.5
71.01347	13.5
71.04991	62.7
73.02934	8.5
77.89751	5.4
79.05489	88.7
81.03431	24.9
81.06622	8.6
81.07056	100.0
83.04980	15.8
83.08625	16.4
84.02115	7.8
85.02911	9.0
85.06534	13.2
91.05477	58.4
93.07051	60.1
95.04974	37.3
95.08613	42.0
97.05963	8.1
97.06528	78.4
97.10172	5.9
105.07042	37.0
107.04985	12.9
107.08572	40.0
109.06500	25.7
109.10159	28.0
111.08076	8.2
115.07582	44.2
117.07030	19.9
119.08574	23.9
121.06527	7.1
121.10181	23.4
123.08067	6.7
123.11713	7.9
125.09641	7.7
129.06976	10.5
131.07037	9.8
131.08560	21.2
133.10147	30.6
135.08035	9.9
135.11662	15.7
137.09628	9.2
143.08519	5.4
145.10149	15.5
147.11702	16.3
149.09593	8.2
149.13292	12.0
157.10149	9.6
159.11694	16.3
173.11703	13.4
175.11107	5.9
177.12744	6.6
187.13223	11.2
187.14815	7.0
193.12167	8.3
194.13031	17.4
195.13962	6.1
217.15869	8.8
224.76929	6.0
227.16484	8.4
233.15385	5.7
234.15698	15.4
235.16867	5.6
249.18399	7.0
275.20001	28.3
281.20978	7.1
351.19400	11.1
357.25864	7.5
374.13275	5.8
374.17749	8.8
374.27377	13.8
375.27344	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	374.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	11.1
55.05513	24.8
56.11452	9.1
57.03434	11.5
58.80505	8.1
67.05502	79.1
69.07066	24.9
70.02332	12.2
70.02666	19.8
70.58898	8.9
71.04984	54.0
79.05493	43.8
81.07048	47.3
83.04979	10.7
91.05493	40.2
93.07040	39.0
95.04975	12.7
95.08613	46.5
97.06532	21.8
97.10185	19.2
98.22663	16.0
103.05475	13.3
105.07035	34.1
107.04968	11.4
107.08603	29.1
109.06584	11.5
109.10132	78.7
111.08100	13.5
119.08549	49.0
121.10138	30.1
125.09657	10.2
131.08571	11.6
133.10146	32.8
137.09619	28.8
147.11731	28.8
155.10742	23.9
161.13313	10.1
171.46349	10.1
173.11755	100.0
187.13301	21.0
189.11264	12.5
189.16353	30.0
212.50566	10.4
224.09801	9.2
235.16873	81.7
275.20145	16.5
292.15558	15.0
307.18988	14.4
342.13483	10.4
374.23410	14.2
374.27777	14.4
375.17636	12.0
375.28873	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	374.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67247	6.7
55.01871	8.6
55.05502	23.5
57.03430	12.8
59.04991	11.6
65.03926	8.2
67.05506	91.0
69.03423	13.0
69.07065	99.2
69.38992	18.5
69.39400	18.7
71.04987	53.2
73.02926	9.7
74.72440	6.1
76.65099	6.0
79.05487	72.9
81.03415	21.2
81.05288	7.2
81.07063	100.0
83.04972	16.7
83.08615	22.2
84.02094	8.5
85.06559	9.1
91.05473	71.2
93.07047	78.0
95.04960	29.8
95.08598	32.0
97.06529	67.0
97.10146	12.8
98.22693	14.2
101.05981	7.0
105.04497	8.1
105.07011	39.0
107.04954	14.4
107.08577	49.3
109.06507	21.4
109.10166	35.0
111.08035	13.9
115.07547	23.7
117.07024	13.3
119.08575	28.1
121.10136	30.7
125.09626	16.9
129.07001	9.3
131.08568	15.8
133.10135	28.2
135.11687	15.1
145.10147	21.1
147.11728	11.3
149.09647	7.4
149.13210	7.7
157.10185	11.7
157.17564	6.7
159.11684	16.5
161.13393	6.9
173.11740	22.2
177.12738	8.1
185.06628	9.1
187.13332	19.4
193.12346	8.2
195.13889	12.1
203.12802	9.0
227.16342	14.2
241.17993	7.7
243.14485	38.7
275.20096	42.0
283.22495	12.1
333.19098	21.7
351.20242	77.9
352.20239	10.0
357.26038	29.1
364.45016	7.3
374.13095	16.1
374.22192	7.7
374.26859	15.5
375.27133	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	9.6
55.05511	47.8
59.04995	10.0
67.05497	100.0
69.07066	54.1
69.39304	31.7
71.04991	92.7
73.06570	9.3
79.05492	84.6
81.07050	86.1
83.04988	9.8
83.08606	46.1
85.06558	12.2
89.85906	6.4
91.05480	35.7
93.07040	71.9
95.04982	11.6
95.08604	54.3
97.06544	18.6
97.10167	52.3
105.07022	32.4
107.04939	8.6
107.08588	76.6
109.06529	16.6
109.10157	79.5
111.08089	10.7
117.07044	15.3
117.70304	6.1
119.08565	32.5
121.10147	34.3
125.09604	42.1
131.08592	23.0
133.10161	27.5
135.08090	15.1
135.11690	19.5
137.09651	7.6
145.10146	19.7
147.11670	18.7
149.09595	11.6
149.13289	16.0
153.09187	8.5
153.12778	14.5
155.10622	32.0
159.11719	29.9
173.11736	99.8
173.13191	7.3
177.12776	29.4
187.13274	97.9
203.12730	49.3
209.15367	12.7
220.01913	7.2
241.17982	52.8
254.46028	7.7
257.18967	17.2
275.20071	64.3
289.21576	26.4
291.53979	6.9
307.22812	13.7
321.24405	8.9
341.55374	7.0
351.18576	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	375.1286
Annotation	Gentioflavoside
Peak:m/z	Relative Intensity
69.03426	5.1
70.75926	3.3
71.01330	2.2
75.62160	2.2
77.03938	3.7
79.05492	20.3
81.03426	3.1
81.07038	4.4
85.02900	6.2
91.05489	2.6
93.07050	3.6
93.94215	2.4
95.04971	34.9
97.02873	4.3
103.05513	5.1
107.04950	100.0
108.05293	4.1
109.02860	12.0
113.72355	2.6
121.06499	7.8
123.04434	8.9
124.63177	2.3
125.02358	11.4
125.05993	3.6
131.04837	2.5
133.02852	6.7
149.05971	11.8
151.03896	89.3
153.05478	8.3
177.05496	18.0
195.06494	26.3
213.07561	16.6
240.62263	2.4
282.99716	2.2
296.13806	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.4
55.01879	4.4
55.05513	7.2
57.03427	5.6
59.99804	1.3
61.02914	3.9
66.58382	1.3
67.05484	4.9
69.03426	9.9
71.04977	4.3
71.43473	1.5
73.02916	3.3
75.35406	1.5
79.05495	14.7
81.03423	9.1
81.07063	16.4
83.04973	3.9
83.08606	3.1
85.02904	23.9
87.04459	1.7
91.05480	10.6
93.07051	11.2
95.04964	10.7
95.08581	3.0
97.02881	10.7
97.06503	2.1
98.11251	1.3
99.04454	2.1
99.08116	1.6
103.05491	1.8
105.07025	3.7
107.04956	23.2
107.08578	6.2
109.02868	8.0
109.06535	22.5
109.10163	3.5
111.04453	3.5
111.08081	100.0
117.07036	3.8
119.08581	4.3
121.06494	4.8
122.03664	1.7
123.04455	2.6
123.08074	1.8
125.02354	2.7
125.06042	2.2
127.03910	7.0
133.02805	1.6
133.06502	1.9
135.08041	5.4
137.05977	12.2
137.09625	5.2
139.07550	24.0
141.05481	7.7
141.09134	2.0
145.04950	2.4
147.04384	1.6
147.08028	1.9
149.05972	3.7
151.03915	28.0
151.07524	3.4
153.05444	3.2
153.09120	4.6
155.07047	3.9
161.05983	1.7
163.03922	1.9
163.07597	1.9
165.05530	3.4
165.09149	1.8
169.08601	99.0
170.08949	2.0
175.07611	1.3
177.05507	5.6
178.63574	1.6
179.07060	4.3
181.08589	19.1
195.06602	7.6
195.10194	3.8
197.11719	7.9
203.06972	1.7
213.07581	4.1
213.11217	31.6
299.92731	1.6
314.11566	1.5
375.06750	2.2
375.16211	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	375.2378
Annotation	Manglieside C
Peak:m/z	Relative Intensity
55.05512	21.0
57.07076	20.1
59.04992	1.7
65.16814	1.9
65.53342	1.7
67.05505	4.0
69.03416	7.8
69.07069	100.0
69.70213	6.5
76.88895	1.7
79.05486	2.2
81.03397	3.0
81.07059	16.7
83.04979	4.0
83.08609	5.5
85.02911	16.6
85.06521	4.0
88.57494	1.7
89.32925	1.6
90.35291	1.7
91.05473	2.1
93.07056	8.9
95.08598	22.2
97.02879	4.2
97.06527	9.7
97.10173	15.6
98.23393	3.2
99.08092	5.0
99.11712	7.0
105.07052	1.7
107.08584	11.5
109.10161	6.1
111.08074	5.1
111.11713	28.6
113.09731	1.9
121.10140	15.6
125.09657	9.0
127.03934	4.2
135.11696	8.4
137.13260	8.9
139.11186	31.0
145.04890	2.3
153.12675	2.0
177.16397	38.4
178.16731	1.8
195.17448	59.5
213.18507	28.6
243.30789	2.0
324.53601	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	375.2376
Annotation	Manglieside C
Peak:m/z	Relative Intensity
52.12971	2.0
52.31083	1.9
55.05513	17.1
56.24720	2.1
57.03429	2.8
57.07080	20.3
67.05493	4.7
69.03410	2.6
69.07064	100.0
69.49063	2.1
70.07411	3.4
79.05500	3.4
81.07056	8.7
83.04971	3.8
83.08626	9.4
84.85329	2.2
84.88724	1.8
85.02913	6.1
85.06551	2.9
85.59433	2.5
87.00853	2.1
91.05540	3.4
93.07025	5.5
95.08611	15.4
97.06547	10.3
97.10174	17.6
98.23448	7.8
99.11725	6.1
107.08611	11.0
109.10154	6.0
111.08086	8.1
111.11722	28.2
121.10133	16.6
123.11701	4.7
125.09631	6.4
134.86816	2.2
135.11674	8.5
137.05994	4.5
137.13251	7.5
139.11169	41.4
151.03873	2.9
157.17226	2.5
167.07005	5.2
177.16385	28.4
179.07141	2.5
195.17447	51.5
203.48552	2.2
213.18518	23.3
227.86615	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14629	5.2
55.05509	27.3
57.07073	7.0
61.30161	5.1
67.05507	47.4
69.07069	21.8
79.05489	44.4
81.07064	97.1
83.08628	10.1
91.05479	51.3
93.07050	98.3
95.04979	42.8
95.08604	56.1
97.06551	17.0
103.65816	5.3
105.07034	100.0
107.08595	61.2
109.06514	13.0
109.10158	30.6
112.32468	5.3
117.07018	17.3
119.08578	97.8
121.06520	16.8
121.10152	84.6
125.09592	7.6
128.06187	7.2
129.07021	12.9
130.07817	9.3
131.08575	54.9
133.10129	54.0
133.10922	5.6
135.11728	19.6
142.07808	20.7
143.08571	31.3
145.10129	60.8
146.10658	6.0
147.11707	30.5
149.13312	5.7
149.93767	7.3
155.08675	7.0
156.09378	6.1
157.10146	50.4
159.11659	34.0
161.09642	11.7
161.13351	8.8
165.07220	5.2
165.09187	10.5
169.10156	16.0
171.11688	16.3
173.13277	19.3
175.11296	6.5
175.14879	6.7
179.08636	6.7
181.10141	8.8
183.11728	11.8
185.13255	13.2
187.11189	7.0
187.14908	14.6
193.10144	9.0
195.11716	6.6
197.13252	12.5
199.14819	9.9
201.16353	6.6
209.13263	12.2
211.14771	5.9
225.16530	6.7
241.19501	7.0
265.19409	5.6
277.21741	10.0
375.26892	12.5
375.36557	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	375.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.0
55.01874	13.6
55.05510	100.0
56.05844	2.0
64.58933	2.2
65.03918	2.3
67.05508	18.8
69.07054	10.3
70.06831	3.4
70.07145	2.7
79.05488	23.8
81.03416	7.4
81.07048	29.7
83.04982	8.0
83.08614	46.1
84.97030	2.1
85.06538	3.3
91.05478	25.4
93.07055	20.4
95.04966	5.0
95.08602	15.4
97.06533	22.0
97.10184	6.0
98.22787	2.3
105.07029	30.9
107.04949	9.2
107.08574	17.8
109.06501	7.2
109.10155	7.1
117.07014	5.4
119.08572	19.7
121.10143	6.8
123.11743	2.7
125.09650	4.1
131.08566	7.7
133.10149	21.5
135.11711	4.4
139.38362	2.4
145.10109	3.7
147.11676	9.1
149.09596	13.9
149.13246	2.5
159.11716	3.7
161.13252	3.7
171.11708	2.5
173.13237	5.8
179.14299	5.2
183.11601	3.8
187.11169	2.8
189.11234	7.2
209.15337	2.8
219.17496	3.3
229.19455	3.0
247.20372	2.3
257.19040	6.6
275.20050	51.1
276.88281	2.2
293.21231	2.7
308.06165	2.3
324.36581	2.4
375.16190	3.4
386.53925	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	375.2895
Annotation	15-HTPE
Peak:m/z	Relative Intensity
53.03935	5.0
55.01865	7.9
55.05509	22.4
62.13181	3.1
67.05506	34.8
69.07066	19.0
69.47353	10.9
79.05487	27.7
81.07050	36.9
83.08616	4.9
91.05472	24.8
93.07047	24.1
95.04951	5.2
95.08602	34.8
97.06562	4.6
98.23477	6.0
105.07034	22.4
107.04922	7.7
107.08579	16.2
109.06534	5.9
109.10150	12.4
117.06969	5.0
119.08563	13.8
121.06512	11.1
121.10152	12.8
123.08046	3.3
123.11674	3.6
129.06998	5.8
131.08569	9.1
133.10150	12.9
135.08051	7.6
135.11734	4.6
136.72772	3.2
143.08546	5.3
145.10129	7.7
147.08057	8.5
147.11696	6.0
149.09651	4.8
157.10110	5.1
159.11703	8.4
161.13237	4.4
171.11739	4.5
173.13354	4.8
179.14323	8.0
189.16306	3.0
204.01912	3.8
205.15817	5.4
212.92795	3.4
217.15926	5.6
231.17401	3.9
237.08104	4.5
247.16988	4.8
292.83728	3.5
329.28464	18.7
339.26776	15.5
348.88400	3.0
357.27872	100.0
358.28326	7.1
361.23337	3.1
375.29004	14.4
385.50284	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39944	1.3
53.03952	3.1
55.01871	3.7
55.05512	20.6
57.03433	7.8
57.07072	2.1
65.03900	1.4
67.05498	16.1
69.07074	8.2
70.05343	1.8
70.05655	2.2
71.08646	1.9
76.61179	1.4
79.05489	36.8
81.07053	100.0
82.07385	2.3
83.05016	1.2
83.08613	8.3
91.05476	13.5
93.07041	40.9
95.04958	5.1
95.08597	15.3
97.06532	6.2
97.10187	1.8
99.08098	19.5
105.04575	2.4
105.07027	16.1
107.07922	2.1
107.08588	24.4
109.06498	1.4
109.10139	6.9
110.30650	1.1
111.08055	1.2
117.07042	3.9
119.08581	12.3
121.06481	1.2
121.10124	19.2
123.11713	2.0
129.06999	1.8
131.08575	7.1
133.10114	11.7
135.11684	15.6
143.08546	4.2
145.10112	5.5
147.11678	9.0
149.09636	2.0
149.13220	10.2
157.10162	3.2
159.11687	5.4
161.09492	1.7
161.13231	5.2
163.14777	3.4
171.11725	2.4
173.13307	2.8
175.14856	3.9
185.13336	2.0
187.14862	1.4
213.16396	2.0
219.17502	2.7
221.15436	1.7
235.16919	2.0
241.19504	5.2
259.20554	15.3
261.21985	1.5
275.20090	10.4
277.21609	44.5
357.27750	2.9
375.24780	2.2
375.28958	14.2
376.29132	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
54.18259	1.7
55.01872	4.9
55.05513	100.0
57.03440	2.0
57.07067	2.7
67.05505	18.8
69.07063	10.9
70.17286	2.7
70.17591	2.5
71.04992	2.5
79.05489	13.0
81.03450	1.8
81.07054	22.5
83.04974	1.9
83.08124	2.4
83.08622	45.9
91.05471	13.5
93.07062	14.3
95.04974	8.5
95.08589	14.9
95.85373	2.1
97.06551	4.8
105.07043	16.5
107.04951	3.4
107.08573	8.4
109.06531	6.0
109.10149	5.5
111.08111	2.3
113.49556	1.9
117.07014	5.2
119.08584	15.2
121.06487	2.7
121.10162	6.8
123.08086	4.3
129.06985	2.6
131.08556	9.2
133.10138	15.4
135.08054	3.4
135.11729	2.9
137.09627	3.3
143.08488	1.8
145.10115	8.9
147.11710	7.0
149.09631	5.3
151.11273	1.7
157.10141	1.9
159.11736	7.3
161.09628	2.0
161.13266	2.7
163.11197	4.0
165.12709	1.9
173.13264	3.6
189.16501	2.1
197.13289	2.6
219.17381	3.2
247.20621	2.6
257.19009	5.4
275.20059	41.1
290.50247	1.6
293.21149	6.7
333.16666	2.1
357.27878	5.3
375.29053	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	376.216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.1
56.96565	16.2
57.07066	0.7
61.61534	0.3
67.36639	0.4
70.06584	1.1
71.08624	0.7
71.58069	0.3
71.95264	0.9
72.96036	0.6
74.97602	0.4
81.07066	0.5
81.74094	0.3
83.08588	0.6
84.96046	0.7
88.07616	1.3
88.11283	1.7
93.51962	0.3
97.96803	3.5
98.97570	0.9
102.09196	0.6
105.00134	1.0
109.24863	0.3
110.97573	6.2
111.98363	0.5
112.99140	0.3
115.97853	1.7
119.01696	0.6
123.01220	0.6
124.99120	0.3
128.98615	8.1
130.14354	0.3
133.98872	0.7
137.02765	1.0
143.00139	1.4
146.99637	4.0
151.04324	0.4
152.00148	0.5
155.03815	0.7
161.01237	1.4
165.12750	1.0
171.03320	1.2
175.02843	0.6
185.04840	0.8
189.04301	1.0
190.05125	0.9
193.09024	0.4
203.05933	0.8
205.07425	0.6
208.06165	0.6
217.07382	0.5
251.13124	0.4
263.09546	2.1
277.11169	1.7
278.11896	0.9
281.10645	0.4
291.12589	0.4
292.13556	0.4
295.12033	0.4
313.32797	2.0
314.33124	0.6
315.16858	0.4
317.17847	32.2
318.18326	1.9
333.17484	2.3
335.18918	100.0
336.19260	6.7
341.66141	0.4
352.49292	0.4
353.19986	23.1
354.20331	1.2
358.20508	13.8
359.20773	1.0
371.21118	0.5
375.36636	6.8
376.21634	2.5
376.32254	0.6
376.36862	2.3
392.21463	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.2
55.01868	12.3
55.05510	100.0
57.03177	5.2
57.03436	53.4
58.04215	20.5
59.05002	10.9
62.59421	2.9
67.05504	64.6
68.05025	5.1
69.03428	13.3
69.07067	30.3
69.88506	11.1
71.04996	12.8
75.04479	42.0
79.05492	38.6
81.03410	32.8
81.06618	5.3
81.07055	48.1
82.06580	5.4
83.04982	20.8
83.08618	44.8
84.02174	3.5
85.02901	12.6
85.06568	4.3
91.05471	31.6
93.07037	26.1
95.04974	29.0
95.08607	11.0
97.02943	3.7
97.06527	8.3
97.10167	70.8
105.07030	20.2
107.04950	6.4
107.08577	22.2
109.06511	8.7
109.10166	7.0
117.07036	5.3
119.08588	12.8
121.06534	3.8
121.10117	10.5
123.08115	4.5
125.09615	49.2
129.07010	3.7
131.08560	13.0
133.06396	3.0
133.10149	7.0
135.08105	5.7
135.11702	3.6
147.11693	7.8
149.09607	5.2
157.10149	5.0
175.11192	5.1
189.11208	22.8
193.12239	8.1
213.28918	3.3
223.13278	27.7
237.14862	10.8
275.20047	10.9
339.64371	3.5
351.48965	3.8
376.23581	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	376.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17684	3.5
53.03953	4.4
53.55353	3.4
55.01870	9.6
55.05513	100.0
57.03440	49.6
58.04224	21.6
59.04996	13.9
65.03957	6.0
67.05503	71.9
68.05042	7.8
69.03426	19.6
69.07068	27.7
69.79137	12.6
71.04994	13.2
73.02885	4.7
73.84209	3.8
75.04480	48.9
79.05494	51.4
81.03416	45.4
81.07059	48.7
82.06574	4.6
83.04977	18.1
83.08621	53.2
85.02940	8.5
85.06564	3.9
88.64039	3.5
91.05482	35.8
93.07014	22.5
95.04968	29.3
95.08617	13.9
97.06511	16.6
97.10177	67.9
105.07052	23.6
107.04984	8.9
107.08596	25.6
108.08999	3.8
109.06491	6.1
109.10159	8.4
111.08108	7.6
117.07032	4.8
119.08579	18.8
121.10120	5.5
122.07749	3.5
125.09640	65.7
129.07008	6.1
131.08582	7.5
133.10144	10.1
135.08083	5.5
147.11723	8.4
149.09598	4.0
153.09123	4.6
157.10159	6.1
159.11699	7.0
175.11121	5.6
189.11197	23.0
193.12279	7.6
201.12689	3.9
213.53177	3.7
216.92348	3.2
223.13277	38.2
237.14975	19.1
241.14148	4.0
346.56128	5.0
376.23300	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	376.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.1
55.01869	18.9
55.05511	100.0
57.03432	50.8
58.04213	16.8
59.04990	11.0
65.03921	4.7
65.14176	3.3
67.05505	80.3
68.05830	3.2
68.35085	3.3
69.03431	18.9
69.07070	30.1
69.18265	8.2
69.18672	15.6
71.04990	15.1
72.67290	3.4
74.61719	3.3
75.04482	42.5
79.05489	58.4
81.03415	39.6
81.07055	60.0
83.04959	26.2
83.08626	49.3
85.02898	12.7
85.06548	10.2
91.05489	44.2
93.07043	35.2
95.04966	32.9
95.08593	23.2
97.06527	12.2
97.09609	2.7
97.10168	79.6
99.08133	4.1
105.07016	27.3
106.06566	4.6
107.04971	5.5
107.08591	31.6
109.06514	17.1
109.10154	16.5
111.08086	7.4
117.07018	6.4
119.08590	16.9
121.06522	4.3
121.10132	17.4
123.11718	5.3
125.05990	4.4
125.09630	58.8
129.07039	5.1
131.08549	13.1
133.10121	9.5
135.08034	7.0
137.09592	4.8
147.11702	10.8
149.05928	4.0
149.09637	3.8
153.09059	3.3
157.10172	5.2
159.11621	4.4
173.11716	5.4
175.11227	5.3
189.11162	19.2
193.12288	5.1
199.13252	5.2
223.13304	35.4
236.17276	5.2
237.14786	10.2
243.80875	3.4
275.20148	7.5
376.24167	7.9
376.29379	10.3
377.19220	3.8
377.23499	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	376.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69600	5.4
52.29854	4.9
53.03959	7.7
55.01870	22.9
55.05513	30.8
57.03431	25.2
59.04997	6.7
60.96007	6.4
61.02940	6.2
67.05502	77.9
69.03445	6.9
69.07070	35.0
71.04992	100.0
73.06559	8.6
79.05487	56.7
81.03417	18.6
81.07057	67.6
83.01363	18.9
83.04988	16.9
83.08622	12.9
84.02120	31.5
85.06528	18.7
85.79695	5.5
86.33936	5.1
91.05479	28.1
93.07053	47.4
95.04971	26.0
95.08604	40.9
97.06535	67.6
97.10183	14.9
99.08092	13.0
105.07020	16.8
107.04968	10.4
107.08613	17.3
109.06532	21.4
109.10166	19.8
111.08065	16.4
113.06026	20.3
115.07566	10.6
117.07021	11.1
119.08582	16.3
121.06518	8.6
121.10158	21.6
123.04411	6.9
123.08069	14.8
125.09637	10.4
129.09077	7.9
130.42424	5.5
131.08586	14.9
133.10120	6.4
135.08044	14.8
135.11688	17.4
137.09688	7.1
141.09041	5.6
145.10065	7.4
152.08284	9.1
157.10036	7.4
159.11694	12.4
169.08620	23.8
170.09410	43.7
173.11745	6.5
177.12816	6.0
189.11296	8.6
195.13748	15.9
217.15894	9.7
221.15392	13.3
223.13440	13.7
227.16359	40.3
228.04906	5.6
263.20267	6.1
273.18524	24.6
291.19485	53.3
292.19733	7.5
376.14841	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	376.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
54.05964	5.5
55.01894	5.7
55.05508	36.0
57.03434	19.9
61.02921	7.4
67.05503	100.0
69.03432	11.7
69.07072	41.0
69.24412	8.4
69.24799	14.5
71.01341	4.5
71.04990	85.5
71.05355	7.4
73.06552	6.8
79.05500	57.9
81.03419	33.1
81.07059	73.7
83.04985	15.4
83.08624	16.5
85.02949	5.2
85.06544	17.1
87.04474	5.7
91.05487	43.4
93.07043	68.8
94.34585	4.5
95.04955	24.0
95.08607	40.8
96.05288	5.0
97.02886	8.7
97.06526	93.0
97.10176	17.3
99.08098	16.9
103.05434	6.5
105.07040	23.2
107.04961	10.6
107.08589	25.4
109.02869	14.8
109.06517	25.6
109.10137	25.6
111.08086	6.3
111.51956	4.4
113.06025	22.8
113.59823	4.9
115.07574	5.2
117.07029	22.0
119.08584	22.9
121.06483	8.6
121.10147	28.3
123.08066	22.3
125.05980	6.0
125.09656	15.9
127.07506	7.4
129.09117	10.5
131.08598	18.3
133.06487	9.6
133.10132	14.6
133.13135	4.8
135.08070	16.1
135.11731	15.1
137.06035	8.2
137.09616	9.0
145.06549	11.7
145.10118	11.0
147.08038	7.8
147.11691	7.1
149.09586	6.0
149.13220	11.2
155.10666	6.3
159.11700	16.5
169.12270	13.3
173.05978	12.7
173.11697	7.7
174.42191	5.1
175.11235	6.7
177.12785	8.9
189.05498	4.9
189.11223	17.4
195.13789	15.0
205.08791	4.7
209.15396	6.7
217.15822	7.5
221.15411	7.5
223.13289	32.7
227.16406	44.0
273.18347	24.1
291.19550	60.4
309.20352	6.6
323.22064	10.1
376.24698	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	376.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	10.6
55.05514	89.8
57.03430	34.0
62.74857	8.0
67.05501	95.7
69.03419	17.9
69.07072	92.0
70.19073	17.1
71.04987	32.5
75.04488	30.7
79.05488	70.1
80.60279	8.3
81.03411	35.8
81.07051	90.2
83.04974	21.7
83.08619	42.0
91.05476	43.3
93.07030	58.5
95.04963	32.3
95.08588	50.9
95.40493	10.0
97.06520	35.8
97.10167	72.6
105.07041	37.6
107.04959	15.0
107.08587	54.7
109.06528	13.9
109.10175	25.4
111.08075	12.3
112.11808	9.3
117.07054	13.8
119.08568	29.4
121.06448	9.9
121.10161	25.3
123.08055	14.2
123.11632	10.2
125.09609	57.5
127.56365	9.1
131.08600	16.6
133.10103	18.9
135.08054	8.9
137.09572	14.8
145.10164	17.5
147.11691	10.0
149.09618	34.8
159.11717	10.2
179.10529	9.5
179.14296	13.0
189.11206	31.0
195.13731	10.7
223.13336	29.6
227.16440	18.4
245.83078	10.2
275.20062	100.0
293.21091	14.5
365.57593	9.2
397.44531	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	376.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	23.1
59.05011	5.3
61.66507	3.1
63.43957	3.1
65.33627	3.5
67.05157	5.6
67.05499	74.8
69.07054	12.8
71.04990	100.0
71.08626	27.4
71.45715	3.2
79.05504	17.7
81.07056	58.0
83.04974	6.3
83.08614	12.5
85.06547	11.0
91.05471	13.1
91.14861	3.5
93.07049	38.8
95.04961	4.3
95.08607	21.6
97.06535	9.5
97.10166	23.8
99.08035	21.5
105.07036	8.3
107.08611	19.2
109.06487	6.7
109.10151	51.0
111.08093	4.2
113.25950	3.2
117.06953	9.3
119.08566	11.3
121.10146	6.2
123.11719	3.7
123.98240	3.1
125.09618	22.9
131.08575	7.7
133.10104	6.5
135.08029	8.9
135.11684	18.8
139.07515	5.2
149.13280	10.1
151.00806	4.0
151.11169	9.3
153.09082	5.7
155.10657	9.3
155.14325	16.2
157.12250	3.8
159.11681	19.9
173.11731	61.4
177.12755	22.3
179.14313	7.7
187.02762	3.3
187.13295	59.8
203.12769	33.5
209.15387	10.5
241.17894	62.9
259.20599	5.4
269.59024	3.4
277.21613	29.4
291.23285	8.8
297.93884	3.3
309.24298	12.9
334.19330	10.6
342.26685	3.6
353.16028	19.3
376.25577	5.1
377.22879	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	377.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17608	0.6
56.96568	0.7
57.03432	0.8
69.38805	3.3
79.05492	1.7
81.03429	1.1
81.07037	1.4
85.02892	1.3
91.05501	1.7
93.07046	0.8
95.04980	0.8
95.08632	0.8
97.02879	1.2
98.22716	1.4
105.07014	1.9
107.04984	1.2
109.06496	2.0
111.04455	1.3
119.01925	0.8
119.04916	1.1
127.03915	2.0
133.06485	2.2
135.04427	1.1
135.08093	0.8
137.06003	2.2
139.03894	2.0
144.28912	0.7
151.07559	2.7
155.02011	0.8
163.03915	3.3
164.82910	0.8
179.03148	1.3
179.07050	2.0
181.04938	1.9
185.02100	2.5
185.67671	0.8
197.04222	2.7
197.08015	3.9
215.05310	5.4
215.09131	3.4
221.03049	5.2
221.04965	1.3
259.06537	1.5
271.04446	1.0
275.02521	0.9
289.05304	0.6
306.30875	0.7
338.35178	0.7
359.07321	2.8
377.08398	100.0
378.08810	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	377.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07053	2.7
67.05492	3.4
69.07063	8.2
71.04980	6.9
73.25433	2.1
77.83810	2.0
79.05474	8.1
81.07055	5.7
83.01789	2.5
85.02894	5.5
89.03903	7.2
89.27814	2.4
91.05473	3.9
95.04953	6.3
95.08577	4.6
95.49889	2.2
97.02877	5.6
99.04462	4.1
105.07014	4.9
107.04969	3.5
109.02883	3.1
111.08106	15.6
111.11738	3.6
117.03397	9.9
121.10088	2.8
127.03911	100.0
135.04393	18.1
137.05998	3.2
145.02823	11.5
145.03868	2.6
151.03935	3.4
151.07545	7.5
161.06021	2.3
163.03899	51.2
179.07018	18.4
181.04912	9.3
184.81688	2.5
196.17786	3.8
197.08076	89.0
198.38835	2.3
228.93851	2.7
256.76416	2.3
272.48584	2.6
313.85159	2.5
377.12018	2.6
377.16788	4.4
377.24539	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	377.1442
Annotation	9-Hydroxysemperoside
Peak:m/z	Relative Intensity
53.03938	0.9
55.01873	1.4
56.96568	1.0
57.03442	1.1
59.14156	0.8
61.02929	2.3
67.05506	2.9
68.37375	0.9
69.03421	5.1
69.32295	4.3
70.06572	0.9
71.04975	1.2
79.05488	9.3
81.03416	2.2
81.07061	5.8
83.04997	1.5
83.06093	1.0
85.02910	12.0
87.04459	1.2
91.05478	5.3
93.07057	5.3
95.04968	4.9
95.08601	4.5
97.02904	3.0
97.06532	5.5
98.97572	4.7
99.04407	1.2
102.66694	0.9
103.05515	1.0
105.07037	20.9
107.04939	1.7
107.08601	7.4
109.02857	1.5
109.06505	7.2
111.04455	1.6
111.08102	1.1
116.98641	1.1
117.07011	1.3
119.04939	1.1
121.06534	4.6
122.03632	1.8
123.04448	3.1
123.08073	4.6
125.02319	1.4
127.03905	6.3
133.06480	12.7
135.04393	1.9
135.08057	1.1
137.05981	60.2
139.03886	1.2
139.07542	4.1
140.04694	1.5
145.04979	1.1
149.05984	1.5
151.03958	1.8
151.07555	18.6
153.05478	3.0
155.07022	2.0
158.99686	2.6
161.05998	2.1
163.03970	2.5
163.07515	1.0
167.07025	2.3
169.04955	3.1
169.08618	3.0
177.00647	0.9
179.07001	8.9
181.08591	8.1
197.04222	2.0
197.08098	27.6
197.12849	1.5
198.08272	1.1
199.06070	2.0
215.05246	4.9
215.09152	100.0
216.09476	2.2
219.01735	1.4
221.02928	2.3
286.97580	1.1
317.09201	1.2
359.07425	2.0
377.08395	77.4
377.14069	41.3
377.17804	3.1
378.08502	4.2
378.14429	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1442
Annotation	Junipetrioloside B
Peak:m/z	Relative Intensity
52.39917	3.5
53.03938	4.4
55.01844	3.6
55.05504	6.4
56.57983	3.6
59.79213	3.8
61.02926	4.6
61.35339	3.3
62.40458	3.5
66.62370	4.0
67.05499	6.6
69.03416	8.6
70.97366	5.5
71.04979	6.1
79.05484	31.4
79.65096	3.6
81.03409	5.5
81.07063	21.1
85.02899	22.2
85.29832	3.6
86.04604	3.8
91.05479	11.1
93.07049	8.8
95.04945	25.7
95.08588	7.4
97.02885	15.3
99.04461	4.9
100.50961	4.2
103.05466	5.8
105.07027	20.6
106.49953	3.8
107.04955	23.1
107.08580	6.3
109.02873	7.9
109.06526	35.2
111.08069	54.4
115.05431	3.5
121.06503	9.3
123.04350	3.9
123.08113	7.0
127.03918	64.4
133.06497	17.0
135.04410	8.5
137.06001	17.4
151.03877	22.2
151.07520	23.5
153.05458	30.1
155.07048	3.8
161.05959	6.8
179.07030	100.0
180.07445	5.1
197.08084	99.7
197.11842	5.4
215.09206	15.8
262.61008	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	377.1443
Annotation	Euphroside
Peak:m/z	Relative Intensity
52.06639	1.1
53.03944	1.5
55.01873	2.1
55.05509	7.1
57.03440	1.1
64.17653	0.9
65.03943	1.1
67.05505	4.0
68.44364	0.9
69.03445	5.0
69.56983	1.0
70.06591	1.3
71.01350	4.6
71.04988	1.9
72.00008	0.8
79.05479	11.1
81.03413	2.4
81.07055	60.4
82.07382	1.4
83.04963	5.8
85.02907	5.3
85.06538	2.1
91.05486	11.1
93.07041	12.5
95.04956	4.8
95.08611	11.0
97.02902	7.8
97.06524	1.8
103.05449	2.7
105.04521	1.4
105.07029	21.5
107.04932	5.1
107.08585	3.4
108.05764	1.2
109.02888	2.4
109.06519	90.5
110.06857	1.8
111.08051	1.4
115.05479	1.7
117.07010	1.7
119.04944	2.8
121.06505	7.6
123.04393	1.5
123.08070	16.2
125.06015	1.2
127.03949	2.4
133.06493	34.6
135.04367	1.1
135.08046	4.2
137.05971	30.6
140.70854	0.9
148.05220	0.9
149.04895	1.1
149.05977	4.8
151.03896	1.9
151.07538	67.5
152.07896	1.9
153.05487	3.1
153.09094	2.8
153.61078	0.8
155.07091	1.0
158.99641	0.9
161.05972	19.4
161.07310	1.0
163.03947	1.2
164.95120	1.0
166.06274	1.6
167.07034	3.2
168.26129	0.9
169.08640	1.7
177.09100	7.2
179.07030	95.4
180.07405	3.9
181.08586	26.5
181.10104	1.7
185.02066	2.0
197.08092	67.8
197.11743	2.2
198.08276	1.3
199.09665	15.2
215.05367	3.4
215.09146	100.0
216.09537	3.4
236.22942	1.0
251.93828	1.1
341.12454	1.5
359.07611	2.5
377.08423	54.4
378.08640	3.6
379.08289	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1445
Annotation	(1'R,2'R)-Guaiacyl glycerol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03941	3.1
55.01870	4.4
55.05508	1.9
57.03447	2.3
59.04995	1.8
61.02922	3.8
65.03932	6.6
67.05503	34.2
69.03432	10.6
69.07074	4.1
69.10989	10.5
70.06570	2.7
71.04979	2.9
79.05492	18.8
81.03438	3.6
81.07059	32.6
83.01354	2.1
83.04207	1.7
83.04936	2.2
84.08089	1.9
85.02908	28.2
91.05481	38.6
93.07032	8.9
94.04173	3.7
95.04971	100.0
95.08604	3.8
96.05302	2.7
96.28286	1.8
96.96710	1.6
97.02892	10.3
97.06538	11.6
99.04463	2.9
103.03923	3.6
105.07018	2.4
106.01543	1.6
106.88649	1.9
107.04962	18.0
107.07318	3.8
109.02877	4.0
109.06522	96.1
109.10166	2.6
110.06814	2.7
111.04448	2.6
111.08053	2.6
113.02400	3.2
119.04938	19.0
119.06116	3.5
120.08141	2.7
121.06542	2.5
121.10101	3.7
123.07996	2.6
127.03917	24.0
130.04990	4.7
135.04439	2.7
135.08112	2.2
137.05971	68.2
138.06349	1.7
145.04942	5.2
147.04419	12.5
148.07515	2.7
151.07582	8.6
153.05476	3.4
155.07117	1.8
165.05486	35.1
167.07021	2.6
169.08640	3.7
179.07027	50.0
181.08652	3.7
181.12279	2.7
183.06537	53.4
184.06927	2.7
197.08107	50.0
197.09908	3.5
198.08461	1.8
199.09738	2.6
215.09155	31.4
248.16325	3.6
345.18954	4.4
377.16660	2.2
377.20926	7.2
378.19330	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	377.1457
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
50.15139	0.4
53.03946	2.0
55.01864	0.6
57.03437	7.7
59.04972	0.6
61.02685	0.3
61.02925	3.3
69.03428	13.8
70.65449	0.4
71.01369	2.5
71.04991	2.8
73.02921	2.3
75.04495	2.0
79.05472	0.5
81.03415	3.9
81.07050	1.1
87.03175	0.4
87.04408	0.5
99.04453	5.8
102.45094	0.3
110.55087	0.4
114.18963	0.3
117.05489	1.2
118.42672	0.4
121.10146	0.6
123.27333	0.4
137.05984	3.3
145.07562	1.7
151.03899	0.5
157.06355	0.4
166.08586	0.5
170.07108	1.0
172.08693	25.9
173.08997	1.0
178.79956	0.4
179.10654	0.9
180.82925	0.3
190.09738	1.0
197.09518	0.7
197.11716	1.0
198.06660	5.1
200.08174	5.4
214.09857	0.5
214.14334	0.5
215.14778	0.6
216.07689	15.9
218.09329	0.5
243.08768	70.3
244.06935	0.7
244.07655	0.4
244.09207	2.6
261.16162	0.4
283.44955	0.4
316.13135	0.7
359.13544	3.5
360.14005	0.4
377.14551	100.0
378.14832	7.0
378.19290	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83696	26.5
56.96565	37.4
67.05501	41.4
69.07066	58.4
69.74548	93.6
78.59499	26.6
79.05482	31.5
81.07059	52.6
85.43674	26.5
88.07634	66.4
89.07959	32.5
93.07082	39.2
95.08631	30.9
105.07034	27.3
107.08556	36.5
121.10198	31.3
141.60492	31.7
165.12714	31.6
224.58546	24.2
225.08060	27.6
317.19641	46.7
376.36832	93.1
377.17285	100.0
377.22357	42.2
377.26782	78.6
378.29843	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	377.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	11.1
67.05501	20.8
68.05826	3.5
69.03451	4.3
69.07066	12.2
69.73083	5.3
69.73470	6.7
79.05478	6.0
81.03405	5.6
81.07065	29.0
83.04977	9.6
83.08633	8.8
85.02927	3.9
89.03920	7.4
91.05483	11.4
93.07056	7.5
95.04977	8.1
95.08611	29.1
97.10188	9.8
98.22778	4.6
103.05473	5.5
105.07025	5.1
106.06615	4.8
107.04980	6.7
109.02930	4.6
109.06506	4.5
109.10140	28.9
110.10498	4.9
111.04420	3.2
115.05482	4.1
117.03408	8.4
117.07024	8.9
119.08576	5.4
121.10120	6.2
123.04445	7.5
123.11711	29.0
127.03929	4.1
129.07011	3.7
131.04930	3.5
135.04411	15.6
135.08003	4.1
137.05956	4.7
137.13290	9.3
138.74896	3.1
145.02867	10.0
145.06488	10.6
159.11633	3.8
163.03897	100.0
173.05980	7.0
173.11708	5.0
179.17949	14.8
181.04971	30.6
189.09123	4.1
233.07976	3.2
254.11827	4.4
255.12497	13.2
377.23425	7.0
378.20215	6.7
378.32080	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	377.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	11.1
67.05501	20.8
68.05826	3.5
69.03451	4.3
69.07066	12.2
69.73083	5.3
69.73470	6.7
79.05478	6.0
81.03405	5.6
81.07065	29.0
83.04977	9.6
83.08633	8.8
85.02927	3.9
89.03920	7.4
91.05483	11.4
93.07056	7.5
95.04977	8.1
95.08611	29.1
97.10188	9.8
98.22778	4.6
103.05473	5.5
105.07025	5.1
106.06615	4.8
107.04980	6.7
109.02930	4.6
109.06506	4.5
109.10140	28.9
110.10498	4.9
111.04420	3.2
115.05482	4.1
117.03408	8.4
117.07024	8.9
119.08576	5.4
121.10120	6.2
123.04445	7.5
123.11711	29.0
127.03929	4.1
129.07011	3.7
131.04930	3.5
135.04411	15.6
135.08003	4.1
137.05956	4.7
137.13290	9.3
138.74896	3.1
145.02867	10.0
145.06488	10.6
159.11633	3.8
163.03897	100.0
173.05980	7.0
173.11708	5.0
179.17949	14.8
181.04971	30.6
189.09123	4.1
233.07976	3.2
254.11827	4.4
255.12497	13.2
377.23425	7.0
378.20215	6.7
378.32080	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	377.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84584	2.5
55.05503	14.9
57.03432	6.7
57.07073	14.8
60.05788	2.5
61.02929	5.8
67.05507	23.9
69.03449	14.0
69.07069	10.3
69.70086	8.0
71.05020	2.5
71.46542	2.2
71.47256	2.9
73.02895	4.1
77.54327	2.3
79.05517	4.8
81.03400	4.1
81.07053	57.2
81.25771	2.4
83.08612	14.1
85.02902	100.0
91.03962	5.6
93.06976	2.6
95.08604	64.7
97.02891	15.4
97.10164	21.0
99.04465	3.2
99.08115	4.0
109.02886	8.7
109.10153	77.6
110.10463	2.4
115.11166	3.4
123.11702	86.2
127.03904	23.0
128.69173	2.1
134.05984	3.3
137.05997	4.4
137.13251	31.8
145.04956	43.9
150.05504	3.1
163.06006	16.9
179.07080	2.7
179.17934	60.6
180.07408	4.7
197.18944	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	377.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11944	2.2
53.03945	3.8
53.43111	2.3
54.28896	2.4
55.05515	18.8
57.03439	4.8
57.07077	13.1
61.02928	9.1
65.03930	2.9
67.05502	27.1
69.03436	16.2
69.07069	12.7
69.63533	5.1
73.02954	3.1
79.05483	4.7
81.03428	5.4
81.07058	58.9
83.08628	16.4
85.02905	98.1
91.03986	5.0
93.07035	2.9
95.04939	2.6
95.08605	65.6
97.02885	13.7
97.10181	21.0
99.08103	2.6
109.02877	9.2
109.10159	81.9
123.11703	100.0
124.12025	3.4
127.03910	24.8
137.06029	5.0
137.13263	35.2
145.04935	30.7
155.41371	2.4
160.96780	2.8
163.03859	3.0
163.05997	14.4
179.17950	62.2
197.19044	23.3
197.84096	2.6
228.82358	3.0
268.32993	2.7
363.65439	2.6
376.26877	3.1
377.17203	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	377.305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	28.8
55.05513	36.1
57.07066	10.5
62.64783	5.3
67.05498	30.8
68.95019	3.7
69.07069	33.1
79.05489	34.0
81.03431	14.8
81.07053	62.0
83.04987	12.6
83.08618	29.7
85.06518	6.4
86.09717	17.3
87.10038	5.9
89.06030	8.6
91.05477	37.0
93.07042	41.8
95.04967	12.7
95.08624	20.8
97.06524	55.4
97.10160	6.7
98.22710	9.6
99.08069	7.6
105.07034	65.1
107.04971	17.6
107.08572	21.9
109.06536	5.7
109.10181	10.6
111.08102	7.1
117.07030	12.0
119.08579	30.1
121.06570	4.6
121.10155	14.3
125.09647	9.0
131.08583	13.2
133.10138	32.6
135.08084	4.7
135.11687	20.1
144.69101	4.5
145.10130	14.9
147.11699	15.6
149.09627	14.2
149.13292	6.7
151.11153	7.1
159.11722	8.8
161.13272	9.1
163.11145	8.7
177.12752	11.4
179.14288	35.8
189.11235	13.4
219.17390	10.6
257.18954	6.1
275.20068	100.0
277.21725	25.9
277.68005	4.4
310.62943	4.8
362.15149	10.3
377.17569	79.6
377.32822	30.3
378.18466	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	377.305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	28.8
55.05513	36.1
57.07066	10.5
62.64783	5.3
67.05498	30.8
68.95019	3.7
69.07069	33.1
79.05489	34.0
81.03431	14.8
81.07053	62.0
83.04987	12.6
83.08618	29.7
85.06518	6.4
86.09717	17.3
87.10038	5.9
89.06030	8.6
91.05477	37.0
93.07042	41.8
95.04967	12.7
95.08624	20.8
97.06524	55.4
97.10160	6.7
98.22710	9.6
99.08069	7.6
105.07034	65.1
107.04971	17.6
107.08572	21.9
109.06536	5.7
109.10181	10.6
111.08102	7.1
117.07030	12.0
119.08579	30.1
121.06570	4.6
121.10155	14.3
125.09647	9.0
131.08583	13.2
133.10138	32.6
135.08084	4.7
135.11687	20.1
144.69101	4.5
145.10130	14.9
147.11699	15.6
149.09627	14.2
149.13292	6.7
151.11153	7.1
159.11722	8.8
161.13272	9.1
163.11145	8.7
177.12752	11.4
179.14288	35.8
189.11235	13.4
219.17390	10.6
257.18954	6.1
275.20068	100.0
277.21725	25.9
277.68005	4.4
310.62943	4.8
362.15149	10.3
377.17569	79.6
377.32822	30.3
378.18466	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	378.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
56.96569	1.2
57.03434	0.7
61.02917	0.7
65.03921	2.6
69.03429	1.9
69.99216	0.9
71.05003	0.6
79.05492	0.6
80.60416	0.4
81.03405	1.1
85.02905	6.3
91.05471	2.2
93.03401	7.8
97.02904	2.2
98.97588	4.8
101.00813	0.5
109.02924	0.5
110.97572	0.8
111.04444	22.9
112.04774	0.6
115.95751	0.5
116.98627	1.7
119.01905	0.7
119.04942	1.5
122.03664	1.1
123.80068	0.4
127.03965	0.8
133.03445	0.6
137.05981	44.5
138.06287	1.2
139.03903	100.0
140.04282	1.8
143.01895	1.6
145.04950	1.6
151.07486	0.7
155.01888	0.5
157.01727	0.7
158.99640	0.8
161.02957	1.0
163.03917	2.4
163.07498	0.8
173.02989	0.9
177.00754	1.2
180.08698	0.8
181.04959	85.8
182.05258	2.2
199.05988	0.9
199.07994	0.7
199.09680	1.1
203.04070	0.6
212.22408	0.5
214.95454	0.5
216.98686	0.6
217.03830	0.5
219.01801	1.0
221.03015	1.0
221.05066	1.2
222.03096	1.2
223.02579	0.8
236.07315	0.5
237.02838	0.8
274.97589	0.7
319.12375	3.8
336.12292	0.6
337.07996	0.8
378.08188	1.6
379.10440	0.5
396.07968	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
55.05526	0.8
56.53061	0.7
57.03419	1.1
61.02925	1.1
67.05505	1.6
69.03431	2.8
69.46156	2.4
70.06595	1.4
73.02896	1.7
79.05468	3.6
81.03427	4.2
81.07048	5.4
84.04483	0.8
85.02905	11.5
91.05473	5.0
93.07040	6.3
95.04964	5.6
95.08599	2.0
97.02889	3.2
97.06565	1.0
98.88008	0.7
101.87218	0.7
105.04496	0.9
105.07030	2.2
107.04935	1.1
107.08598	9.3
109.02861	1.2
109.06519	20.2
110.06908	1.0
111.08090	4.2
117.07007	4.8
119.08582	1.7
121.05710	1.3
121.06508	12.3
123.04432	2.5
123.08076	1.4
125.09607	0.7
127.03941	1.6
135.08054	44.7
136.08426	1.7
137.05980	29.6
137.09619	2.1
139.07536	2.3
140.04683	15.9
145.04936	1.3
145.06438	1.4
151.07573	2.8
153.05447	0.7
153.09091	8.7
155.07008	7.4
163.03874	1.0
163.07555	6.3
169.39626	0.8
173.08141	0.8
181.05089	1.7
181.08592	44.3
182.08966	1.8
199.06017	21.0
199.09654	100.0
199.74956	0.8
200.06306	1.4
200.10016	4.0
378.08774	12.7
378.16669	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42797	5.7
67.05494	6.2
69.07085	7.9
76.28401	7.6
79.05494	6.0
81.07052	11.6
88.40458	5.6
89.26447	5.8
91.05491	8.3
92.41389	5.6
93.07056	6.9
95.08622	15.0
107.08569	7.8
116.98598	6.6
119.08595	6.5
177.07542	7.6
186.73668	6.5
274.97552	7.0
292.98651	9.7
302.35791	7.3
305.21219	11.5
347.18280	9.4
361.19574	9.5
378.31882	7.7
379.19333	100.0
379.24854	18.8
379.32407	7.8
380.19064	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	379.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21635	1.4
62.51215	1.3
67.05477	1.4
69.07069	2.0
69.71505	3.2
69.71847	2.6
79.05511	1.4
81.07080	2.5
95.08580	2.4
98.97589	3.4
105.03401	2.6
110.57624	1.3
116.98569	2.7
134.99567	1.7
205.08423	3.7
274.97531	2.8
275.60678	1.2
277.14178	2.8
281.13519	3.6
286.52026	1.3
292.98535	2.0
318.07043	1.3
329.17212	1.9
338.96710	4.3
343.18839	9.6
347.18277	67.9
348.18631	4.6
356.97369	1.8
360.32172	1.4
361.19913	6.6
379.20813	100.0
379.24741	38.3
380.21179	8.7
380.25317	2.3
382.64786	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68366	0.5
98.97581	0.8
119.87215	0.5
139.76265	0.6
181.56189	0.5
205.08386	1.4
205.60655	0.5
209.11415	0.8
274.97440	1.1
277.14035	1.1
338.96646	1.2
379.24554	100.0
380.24899	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	379.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41763	0.4
59.59422	0.5
60.55043	0.4
67.05512	0.5
70.14967	0.9
81.07060	0.7
91.05465	1.0
93.07037	0.8
95.08588	0.5
98.97580	1.0
105.07018	1.7
107.04942	0.5
116.98576	0.5
117.07029	0.6
119.08569	0.5
129.00250	0.5
129.07005	0.6
131.08565	1.1
139.23547	0.4
146.89276	0.4
155.00140	0.5
229.79657	0.5
274.97513	1.1
281.17285	0.5
292.98611	0.6
293.14087	0.4
309.16968	0.5
333.16830	0.8
338.96878	0.7
361.19717	0.6
361.23804	0.8
379.24548	100.0
379.72684	0.4
380.24911	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	379.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99054	0.7
57.45559	0.7
60.44337	0.7
69.39306	3.1
75.88809	0.7
81.07047	1.6
95.08604	0.9
98.97579	1.5
116.98594	0.7
118.98220	0.7
119.08529	0.9
122.50641	0.8
140.52444	0.8
152.50815	0.8
202.03151	0.9
205.08374	2.9
269.12857	0.7
274.97501	2.5
277.14105	1.7
281.13742	0.9
292.98468	0.9
310.58945	0.9
338.96613	2.2
343.18945	1.7
347.18259	14.9
361.20032	2.2
363.28894	1.0
379.20679	20.8
379.24539	100.0
380.21338	1.2
380.24973	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	379.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
55.05514	7.0
55.91386	0.7
57.03426	1.2
57.07079	3.9
59.04994	1.4
64.22539	0.7
67.05507	11.1
69.07066	14.2
69.22816	4.4
71.04994	6.9
71.08625	1.0
73.06548	0.8
77.03931	0.8
79.05502	9.8
81.07060	21.0
83.04969	2.3
83.08615	3.7
85.06551	4.7
87.06937	0.7
91.05482	8.5
93.07042	16.5
94.07411	0.8
95.04975	1.7
95.08610	14.3
97.06513	3.9
97.10146	1.4
99.08089	1.8
101.09646	4.7
105.07029	7.6
107.08592	17.9
108.08942	1.2
109.06506	8.0
109.10161	5.5
111.08070	2.8
117.06987	0.9
119.08573	7.6
121.06521	1.8
121.10139	8.8
123.08056	6.2
123.11697	2.3
125.06011	1.3
125.09589	1.5
131.08563	1.2
133.10127	3.7
135.07031	1.6
135.08052	24.1
135.11688	7.8
135.14310	0.6
137.05978	3.6
137.09624	1.5
137.13219	1.7
139.07570	5.3
143.08571	1.0
145.10104	1.7
147.08087	0.9
147.11687	8.9
149.09598	3.4
149.13315	3.5
150.06776	0.8
151.07558	1.4
152.08308	2.5
153.09071	0.9
153.12787	1.1
159.11694	2.0
161.09570	1.0
161.13329	1.0
163.11209	1.5
163.14815	1.2
165.09117	23.9
165.12749	6.2
166.09442	0.8
175.11183	0.7
177.11292	1.4
177.12741	15.3
179.10771	0.9
179.14288	3.1
181.12262	1.1
181.15811	1.9
183.13814	7.2
191.14308	1.7
193.12239	1.7
195.13820	1.7
197.15331	5.1
201.14841	7.2
205.15837	0.8
207.13858	1.1
208.14639	1.1
209.15388	2.8
215.00304	0.7
215.16493	1.6
231.95868	0.8
263.20001	1.7
291.19507	1.9
305.21091	2.3
305.24451	0.8
312.44998	0.7
319.26218	2.0
323.22223	2.6
329.24683	2.3
347.25803	100.0
348.26114	9.2
349.27350	0.8
351.13708	0.8
353.00781	0.8
361.27347	1.0
379.24500	1.7
379.28510	21.1
380.28680	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	379.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03890	0.9
55.01797	1.6
55.05435	7.3
55.05732	1.2
57.07001	1.7
59.04927	1.5
59.05190	0.5
59.70634	0.4
63.38023	0.5
67.05416	11.8
67.05810	1.3
69.03354	0.7
69.06978	13.4
69.07389	1.5
69.73529	0.9
69.73918	1.0
71.04901	7.6
71.85268	0.5
73.06506	0.5
79.05402	10.1
79.05893	1.0
81.06960	22.1
81.07487	1.8
83.04883	2.5
83.05340	0.6
83.08522	4.1
85.06447	5.4
91.05473	8.7
93.07040	19.2
94.07282	0.6
95.04871	1.6
95.08603	14.7
95.09142	0.7
97.06528	4.5
97.10080	1.4
99.08001	1.0
101.05929	0.7
101.09603	0.7
105.04464	0.6
105.07024	8.7
106.07263	0.6
107.08588	19.0
107.09255	0.8
108.51386	0.5
109.06522	7.7
109.10150	5.2
111.08063	2.9
111.11649	0.8
117.06947	0.9
119.08588	7.7
121.06488	1.2
121.10139	8.3
121.62720	0.5
122.07181	0.7
123.08067	7.4
123.11703	4.3
123.59230	0.5
125.05878	0.5
125.09517	1.5
131.08488	1.2
133.10124	4.5
135.08051	29.4
135.11667	7.3
136.08241	0.9
137.05989	4.1
137.09505	1.8
137.13156	1.0
139.07532	4.6
145.10147	2.9
147.08069	0.6
147.11684	10.2
148.08702	0.7
149.09605	4.0
149.13264	2.3
150.06633	1.6
151.07430	1.7
151.11084	1.4
151.89720	0.5
152.08342	2.8
153.08987	1.8
156.48315	0.5
157.10027	1.2
159.11584	0.9
161.09525	2.0
163.11075	1.9
163.14749	0.7
165.09113	28.5
165.12735	7.7
166.09422	0.7
173.13104	1.1
175.11104	1.4
175.14665	0.8
177.12738	21.4
178.12991	1.1
179.10547	0.7
179.14220	1.3
183.12471	0.5
183.13792	5.9
185.13158	0.6
187.13324	2.4
191.14217	1.9
193.12140	1.9
195.13673	1.4
197.15340	6.6
201.13077	0.8
201.14841	9.7
205.15909	0.9
207.13681	0.5
208.14571	1.2
215.16365	2.4
235.16983	0.7
263.20068	1.4
291.19492	2.8
293.21091	1.0
295.22827	0.7
299.48059	0.5
301.25351	0.7
305.21146	2.9
319.26398	1.1
323.22165	3.3
329.24805	1.8
347.25793	100.0
348.26129	8.5
349.27640	0.6
359.45078	0.5
361.27368	1.0
379.28442	16.4
380.28741	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2843
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
55.05513	5.2
57.07072	10.2
59.04990	2.9
67.05503	6.1
69.07067	29.9
71.04981	1.7
71.08623	1.0
71.21590	0.8
73.06568	0.9
79.05497	7.5
81.07054	10.2
83.04983	1.8
83.08623	2.6
85.06557	5.2
87.08096	1.1
89.32769	0.7
90.85273	0.7
91.05470	6.4
93.07044	24.2
95.04964	1.7
95.08601	9.4
97.06520	2.4
101.09656	18.9
105.07030	5.8
107.08592	26.7
109.06509	7.0
109.10151	3.2
111.08093	4.0
119.08574	4.6
121.06533	2.1
121.10143	10.8
123.08074	7.3
123.11696	1.3
124.08683	0.9
125.09614	4.9
133.10143	3.6
133.56882	0.8
135.08049	26.5
135.11699	3.6
137.06018	5.0
137.09621	1.8
138.06783	0.8
139.07549	8.6
143.08560	0.8
145.10089	1.7
147.11652	2.7
149.09592	4.1
149.13249	7.3
150.06764	2.0
151.07561	0.8
151.11214	0.9
152.08273	5.2
157.10161	0.7
159.11688	1.4
161.09601	1.6
161.13293	0.9
163.11208	1.0
163.14807	1.6
165.09119	22.4
165.12746	2.6
166.09590	0.8
175.11157	1.1
176.21011	0.8
177.12762	8.0
178.13467	1.6
179.14296	6.4
181.15862	11.0
187.14914	0.8
191.14281	6.7
205.15758	0.7
209.15356	19.5
209.17226	1.4
210.15692	0.7
263.20090	2.5
291.19550	3.2
304.95724	0.7
319.26416	1.2
322.21457	1.3
329.24722	2.1
339.19083	0.8
347.25790	100.0
348.26163	9.9
379.28406	41.6
379.33289	1.8
380.28711	3.9
402.81003	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01877	0.7
55.05512	8.1
57.03432	1.0
57.07061	2.2
59.04988	1.6
65.44911	0.6
67.05500	10.7
69.06713	1.0
69.07068	14.1
70.82516	0.6
71.04984	6.9
71.08619	1.0
73.06542	1.3
79.05488	7.4
81.07060	19.9
83.04975	3.0
83.08618	3.8
85.06532	6.2
91.05481	9.0
93.07043	18.6
95.04974	1.4
95.08607	14.0
97.06516	4.8
97.10182	1.8
99.08077	2.2
101.09657	1.4
105.07024	6.9
107.08588	18.2
108.08913	0.9
109.06530	7.6
109.10187	3.6
111.08072	3.2
117.07060	0.8
118.52306	0.7
119.08575	7.1
121.06520	1.3
121.10143	9.9
123.01054	0.7
123.08042	6.3
123.11700	3.8
125.09649	1.7
126.12505	0.7
131.08533	1.4
133.10109	3.4
135.08054	28.8
135.09079	1.6
135.11670	6.6
136.08311	0.7
137.05977	5.0
137.09662	1.9
139.07567	4.2
143.08571	0.8
145.10130	2.5
147.11693	9.2
148.08791	0.9
149.09630	3.6
149.13248	3.0
150.06783	1.7
151.07558	1.5
152.08304	2.6
153.09111	2.2
159.11713	1.7
161.09680	2.0
161.13211	1.4
163.11223	1.6
163.14792	0.8
165.09123	28.5
165.12764	8.4
166.09407	0.8
173.13242	0.9
175.11191	1.2
177.12753	18.0
177.16360	0.8
179.14348	1.5
181.15886	0.8
183.13824	6.8
191.14337	1.3
193.12257	2.7
195.13792	1.2
197.15350	6.9
201.14845	11.3
201.16536	1.2
208.14711	1.5
214.31747	0.7
215.16449	2.7
232.19112	0.7
263.20126	1.7
291.19531	2.3
293.21002	0.9
305.21021	3.5
319.26233	1.3
323.22165	2.6
329.24814	1.5
347.25800	100.0
348.26190	9.0
379.23935	1.2
379.28391	19.2
380.28836	1.6
382.47153	0.8
396.90323	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2843
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03892	0.5
54.56200	0.4
55.01838	1.0
55.05453	5.8
57.03384	0.5
57.07011	7.3
59.04935	1.5
65.03888	0.7
67.05437	8.7
69.07066	19.0
69.07400	1.2
69.81176	1.0
69.81558	1.0
71.04987	4.7
71.08562	2.4
73.06487	1.3
77.03873	0.7
79.05487	9.2
81.07053	15.2
83.04919	1.7
83.08611	3.0
85.06535	4.5
85.10137	0.4
87.04398	0.5
89.06022	5.8
91.05473	7.6
91.85190	0.4
93.07037	20.0
94.25999	0.4
95.04897	1.8
95.08603	10.9
97.06519	3.5
97.10095	1.0
98.23363	0.7
99.08022	1.4
101.09651	8.9
105.04471	0.8
105.07021	6.0
107.08586	22.3
109.06512	7.5
109.10158	3.7
111.04401	0.5
111.08076	4.0
111.11642	0.5
117.06961	1.0
119.08580	5.5
121.06448	1.1
121.10136	8.3
122.10403	0.6
122.29822	0.4
123.07262	0.4
123.08056	6.5
123.11719	2.4
124.08818	0.5
125.05960	0.7
125.09621	2.7
131.08495	1.2
133.08492	1.9
133.10098	4.3
135.08046	26.8
135.11687	5.9
136.08423	0.9
137.05952	4.2
137.09521	2.0
137.13199	0.6
139.07535	6.6
139.11101	0.9
143.08511	0.6
145.10049	2.1
147.07988	0.6
147.11688	6.0
148.12001	0.6
149.09605	3.9
149.13228	4.7
150.06671	1.8
151.07512	1.0
151.11122	1.2
152.08336	4.0
153.08995	1.4
153.12680	0.8
157.10107	1.1
159.11617	1.4
161.09541	1.5
161.13182	0.8
162.10170	0.5
163.11133	1.3
163.14819	1.1
165.09116	22.8
165.12752	5.2
166.09457	0.8
167.14314	0.6
175.11191	0.7
177.11360	0.8
177.12733	13.3
177.14291	0.6
177.16292	0.5
178.13135	1.0
179.14301	3.3
181.12244	0.6
181.15857	5.4
183.13770	2.9
185.13254	0.6
189.12648	0.6
191.14314	5.0
193.12186	1.3
195.12172	1.6
195.13770	1.1
197.15356	2.8
201.14818	4.2
203.14247	0.5
205.15822	0.6
208.14575	1.1
209.15359	9.1
215.16306	1.3
231.17424	0.4
249.18559	0.6
263.20016	1.9
291.19507	2.8
301.25336	0.5
305.21054	2.2
305.24594	1.1
319.26352	1.7
323.22040	1.8
329.24777	1.9
347.25787	100.0
348.26074	8.2
361.27246	0.5
363.31046	2.3
379.28415	29.8
380.28876	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	379.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.0
55.01889	1.4
55.05514	11.6
57.03448	1.1
57.07079	8.9
59.05017	2.1
67.05502	12.1
67.05811	0.8
69.03435	1.1
69.07068	23.6
71.04995	5.2
71.08646	2.4
73.06581	1.0
77.03925	0.8
79.05486	11.8
81.07056	21.0
83.05011	2.7
83.08632	4.8
85.06538	7.1
87.08144	0.8
89.06006	1.5
91.05486	8.4
93.06453	1.2
93.07045	24.9
94.07409	1.3
95.04979	3.1
95.08605	16.0
97.06538	4.7
97.10193	1.9
99.08131	1.6
101.09667	8.4
105.07030	8.5
107.05023	1.3
107.08591	26.6
108.08897	0.7
109.06503	9.5
109.10162	6.2
111.04482	1.7
111.07465	0.7
111.08062	3.9
117.07073	1.6
119.08567	7.7
121.06535	2.0
121.10136	10.3
121.10973	0.7
123.08068	9.0
123.11736	2.0
125.06042	2.3
125.09637	3.0
129.06897	0.8
131.08568	3.0
133.06537	0.7
133.10133	4.4
135.08052	30.2
135.11665	5.7
136.08418	0.8
137.05969	13.0
137.09669	2.0
137.13214	0.9
139.07526	5.6
139.11182	0.9
143.08653	0.7
145.10165	2.1
147.11676	6.3
149.09599	5.2
149.13260	4.6
150.06725	0.9
151.07564	2.4
151.11194	1.5
152.08310	3.6
153.09154	2.1
153.12776	1.3
159.11728	1.7
161.09668	2.4
161.13278	1.4
163.11217	2.4
163.14908	1.1
165.09106	23.9
165.12744	6.3
166.09634	0.6
167.14355	0.7
171.11685	0.9
173.13245	1.4
175.11206	1.0
177.12733	13.5
179.10757	0.7
179.14314	4.7
181.15895	5.0
182.15953	0.7
183.13898	3.1
185.13307	1.2
191.14316	3.6
193.12227	1.1
195.12263	1.1
197.15373	2.7
201.14796	4.2
207.13901	1.4
208.14566	0.9
209.15392	7.8
215.16406	1.0
263.20084	2.5
277.17963	0.9
291.19620	2.6
295.22693	0.7
305.21133	2.4
305.24557	0.7
319.26309	2.6
320.26389	0.9
323.22147	1.8
324.30240	0.7
329.24817	2.3
347.25803	100.0
348.26132	8.5
351.29019	7.0
361.27429	3.3
379.28397	47.0
380.28723	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	379.2844
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
55.01850	1.8
55.05507	5.5
57.07077	9.4
59.04996	2.8
67.05497	6.6
69.07069	31.5
69.78709	2.4
71.04991	1.4
71.08633	1.1
73.06559	1.5
77.73736	0.8
79.05495	7.4
81.07060	10.3
83.04976	2.4
83.08623	2.9
85.06546	3.7
89.14532	0.8
91.05484	7.2
93.07045	22.4
95.04980	2.2
95.08607	11.0
97.06527	2.8
99.08063	0.8
101.09656	21.7
105.04485	0.7
105.07034	5.3
107.04969	1.0
107.08591	27.2
108.08888	1.3
109.06504	5.7
109.07086	0.7
109.10159	2.4
111.08078	3.5
119.08587	4.1
121.06512	2.2
121.10155	10.9
123.08041	6.1
123.11702	1.8
125.09645	3.6
131.08557	1.7
133.10135	3.1
135.08052	22.2
135.11740	4.0
137.05981	4.5
137.09619	1.9
139.07539	7.5
145.10120	1.6
147.11667	2.0
149.09619	3.5
149.13266	7.9
151.11046	0.8
151.14725	0.8
152.08339	6.4
153.09108	1.3
159.11786	1.6
161.09566	1.4
162.70099	0.8
165.09106	17.6
165.10402	1.3
165.12759	1.1
175.11243	1.0
177.12746	7.5
177.16357	1.1
178.13556	1.3
179.14304	7.1
181.12282	1.2
181.15886	9.8
191.14340	6.2
195.12268	0.9
202.13791	1.0
205.15964	1.1
209.15344	15.1
249.18492	0.8
263.20090	2.1
291.19611	2.5
319.26395	2.1
329.24728	2.2
347.25806	100.0
348.26151	9.4
354.66226	0.8
379.28415	35.9
380.28784	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	380.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.8
55.64395	1.4
62.80895	1.3
67.05506	10.2
69.03448	3.2
70.56544	3.0
71.05016	1.5
75.10855	1.3
79.05486	5.5
81.03409	1.7
81.07048	12.8
83.05087	1.8
85.02898	9.0
85.06538	1.9
91.05483	5.2
93.07044	12.9
95.04977	11.9
95.08608	41.5
97.02911	2.3
97.06516	2.0
99.04480	2.3
105.07023	3.0
107.08599	5.4
109.06514	3.8
109.10169	6.7
111.08073	1.9
119.08578	24.6
120.08128	1.5
121.10165	2.9
123.08134	1.7
123.11670	1.8
127.03900	2.7
137.09621	19.2
137.13307	2.2
147.08086	3.5
147.11687	2.9
162.25496	1.5
165.09116	100.0
165.12790	4.3
166.09406	2.7
183.10182	22.7
183.13777	1.6
201.11221	72.3
202.11501	2.1
221.05621	1.5
256.06247	1.6
333.73505	1.5
380.21964	3.1
381.11118	2.0
381.20364	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	380.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13820	0.6
53.23150	0.6
55.01865	1.4
55.05513	0.9
67.05484	2.0
69.03387	0.8
69.07079	0.6
69.74625	1.4
69.74993	1.1
73.02908	9.8
73.23470	0.7
79.05486	2.3
81.07039	3.0
81.07452	0.6
82.70231	0.6
85.02898	3.8
91.05466	2.1
93.07039	16.8
95.04919	0.9
95.08610	3.8
97.02886	1.2
97.03522	0.6
105.07036	1.9
107.08585	4.4
109.06522	1.6
109.10139	3.4
111.08078	5.0
117.07007	0.8
119.08582	8.5
121.10142	17.3
123.08058	1.1
127.03915	0.8
135.08051	8.2
137.09671	3.5
147.08054	4.1
147.11668	0.7
153.07841	1.3
153.09100	25.7
165.09097	9.0
183.10165	3.2
196.12215	0.7
201.11212	100.0
202.11481	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	381.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72684	2.2
63.80712	1.9
72.18983	2.0
78.64612	2.5
147.56833	2.2
167.89914	2.3
201.01686	2.8
381.07950	100.0
382.08301	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	381.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.2
55.01862	0.3
57.03423	0.3
67.05496	0.7
69.03413	0.7
71.04975	0.5
79.05494	0.9
81.03412	0.4
81.07043	0.8
91.05476	1.6
93.07050	1.3
95.04952	1.8
95.08610	0.4
96.04495	0.5
97.02881	1.5
97.06503	0.4
99.04444	0.4
103.05464	1.2
105.04486	0.2
105.06988	0.3
106.06561	0.2
107.04942	0.7
107.08595	0.4
109.02902	0.2
109.06493	0.3
109.10150	0.4
115.05450	0.6
117.07003	0.8
118.05772	0.3
118.06542	4.0
119.08557	0.3
121.02848	0.6
121.06512	1.5
121.10146	0.3
123.04430	0.5
124.03953	2.1
127.03895	0.2
130.06529	1.5
131.04892	0.2
133.10072	0.3
135.08012	0.2
135.14456	0.2
137.05782	0.3
142.06506	1.6
143.07300	1.4
144.08076	3.7
145.06467	0.5
145.10039	0.3
146.06004	11.2
147.06323	0.3
149.05925	0.6
150.05411	0.2
151.03940	0.4
154.06535	0.2
155.05951	0.2
156.08080	0.4
158.09666	0.3
160.07594	0.3
163.03809	0.3
163.07596	0.3
167.03291	0.2
168.06923	0.2
168.08104	2.0
169.07602	100.0
170.06006	2.4
170.07941	3.6
170.09520	0.3
173.05898	0.2
176.07053	0.4
180.08043	0.3
181.07599	0.2
182.08366	1.9
182.09756	0.3
183.09160	1.1
184.07616	0.3
184.09837	0.2
188.07063	14.4
189.07408	0.5
191.07050	0.5
192.08098	0.4
194.08173	0.5
195.09126	0.5
204.08138	0.3
206.08295	0.2
207.09047	0.3
209.10765	0.3
215.08157	7.1
219.09166	0.7
220.07588	0.7
220.11218	0.4
221.07863	1.0
221.10851	0.3
234.07544	0.3
235.08638	1.7
237.10165	1.2
247.08722	0.9
247.12320	0.5
248.06993	0.7
249.10307	0.3
250.07269	0.3
261.13815	0.3
263.08139	1.3
263.12396	0.3
264.06436	0.2
265.09720	10.9
266.10138	0.6
281.09055	0.3
289.13467	0.6
293.09207	1.2
293.13449	0.2
295.15173	0.8
305.13010	0.3
307.14487	0.7
311.10275	4.4
312.10785	0.3
317.12906	1.2
335.13873	53.4
336.14200	4.4
363.13461	2.5
363.17618	0.3
364.13733	0.3
381.14679	8.5
381.22476	26.5
382.14825	0.7
382.22876	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	21.2
63.47219	5.8
67.05488	8.5
69.16017	38.2
69.20004	5.4
79.05506	6.7
81.07048	17.3
84.28446	6.0
91.05498	14.7
92.39770	5.7
93.07066	10.2
95.04972	10.3
105.07013	6.8
107.23268	6.7
108.01461	7.3
110.97585	7.7
119.08607	8.5
199.06323	8.5
229.07516	16.9
246.57274	6.6
247.08493	7.8
265.10971	12.3
268.09866	7.0
279.09714	13.3
283.12146	28.3
381.20004	100.0
382.20065	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	381.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54733	8.8
56.96564	27.6
78.87143	8.8
81.07069	11.0
86.53948	9.2
93.07089	9.6
107.08644	15.1
142.03941	10.4
190.70976	8.8
205.15933	15.9
207.10051	10.1
229.07542	21.0
229.36870	9.2
237.08934	22.7
243.09093	11.7
279.09778	13.5
335.12488	14.5
381.16656	100.0
381.20593	34.3
381.27722	24.5
399.20447	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	381.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83599	1.1
55.05504	2.9
56.96577	2.3
57.87198	1.2
59.05001	1.4
65.42269	1.2
65.89878	1.0
67.05497	3.0
69.03439	2.6
69.07072	4.3
71.04990	1.6
73.31452	1.1
78.19821	1.1
79.05503	2.4
81.03407	2.4
81.07058	8.4
83.04967	1.3
85.02926	3.1
85.10902	1.2
91.05506	1.4
93.07060	4.0
95.04979	3.3
95.08610	3.6
97.02903	1.3
97.06550	4.2
105.07051	3.8
107.04956	2.9
107.08620	4.5
109.02882	2.2
109.10191	2.1
117.07014	2.2
119.08634	2.9
121.02872	1.9
121.06527	1.6
121.10178	2.1
127.03976	2.1
133.10132	3.3
135.07930	1.2
137.05972	2.1
143.08572	1.3
145.10143	3.7
147.11771	2.2
149.13271	2.0
151.03976	1.8
159.11740	2.5
161.05925	1.5
169.02670	1.7
173.06010	1.3
181.04997	3.3
195.10017	4.2
201.16524	2.4
229.07495	3.3
247.08650	2.4
259.09808	2.1
269.17596	3.5
285.10226	3.1
290.63446	1.1
321.11191	1.5
349.19949	1.4
351.21661	1.8
363.17624	2.1
363.21649	1.8
381.17838	17.4
381.22650	100.0
382.18564	1.8
382.22906	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	381.188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41293	2.6
55.05484	3.0
57.03473	2.6
57.07056	2.9
69.18066	5.1
69.18471	9.8
80.94836	3.0
81.03183	4.0
81.26806	2.5
87.11935	2.8
95.01096	24.1
98.13288	2.7
98.22763	5.3
123.55010	2.7
141.05225	15.3
163.03661	11.6
195.09966	13.6
221.11490	60.1
240.23238	3.4
263.12527	100.0
264.12967	3.8
264.52893	2.7
277.14114	5.3
295.15161	8.7
323.24557	3.7
333.20349	17.3
334.65817	2.8
349.19327	4.3
380.32526	5.8
381.18362	5.0
381.21780	26.7
381.25635	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	381.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	29.4
63.36479	6.7
65.39440	6.8
65.66821	7.7
71.04979	13.8
71.19476	7.7
76.28896	7.1
83.32201	7.3
105.06995	8.3
195.09859	44.9
199.06458	10.3
201.07855	7.5
211.06395	12.7
229.07489	62.3
247.08540	44.0
263.12534	61.4
381.19067	100.0
381.23236	17.1
399.20569	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	381.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96592	2.4
64.91106	1.8
67.05509	2.6
71.04955	2.1
71.45390	2.0
79.05488	2.6
81.07060	3.4
95.01087	6.7
111.55871	1.7
141.05263	5.1
142.66486	1.9
158.96779	2.0
163.03651	6.3
165.08865	1.9
167.80109	1.7
169.02696	2.2
184.49249	1.8
192.95480	1.7
195.09941	6.6
207.09912	2.6
210.89374	2.7
220.60573	1.9
221.11481	100.0
222.11882	4.0
262.14246	3.2
262.61694	2.2
263.12527	41.1
263.15579	2.5
263.16373	1.9
277.14230	3.4
295.15131	4.1
332.45737	1.9
333.20401	27.2
335.18216	7.0
363.21448	4.8
381.17764	2.4
381.22275	49.1
382.22839	4.5
382.27271	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	381.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27111	0.3
67.05502	0.3
69.03427	0.9
69.07093	0.3
69.42134	1.3
79.05507	0.5
81.03431	0.6
81.07057	0.4
85.02904	0.3
91.05475	0.6
93.07019	0.4
95.04972	1.8
96.14855	0.3
97.02888	0.9
103.05443	0.3
107.04953	1.2
117.07015	1.3
118.06469	0.4
121.02854	1.1
121.06513	0.5
123.04411	0.7
125.02405	0.4
125.70455	0.3
127.03921	0.9
131.08582	0.5
137.05780	0.5
145.06493	1.0
146.05965	0.7
149.06001	0.9
150.58643	0.3
155.06035	0.5
159.04468	0.4
163.07561	0.5
167.03464	0.5
169.07603	6.7
170.07974	0.4
173.06009	0.9
177.05403	0.4
181.89734	0.3
188.07092	0.7
191.07085	0.8
215.08194	0.6
219.06621	0.3
262.38281	0.3
265.09717	0.6
267.15649	0.5
295.15179	3.1
308.78476	0.4
311.07556	0.5
335.13940	3.1
381.22464	100.0
382.22794	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	381.2247
Annotation	Lys Pro His
Peak:m/z	Relative Intensity
61.24509	0.3
67.14180	0.4
68.59800	0.3
69.60120	1.5
73.38348	0.3
79.68185	0.3
96.14845	0.3
101.78246	0.3
103.94401	0.3
137.05782	0.5
180.10968	0.3
184.45885	0.3
193.04877	0.4
195.09897	0.5
249.14386	0.3
267.15799	1.1
295.15097	2.0
381.22464	100.0
382.22772	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	381.2616
Annotation	Cycloschkuhriadiol acetate
Peak:m/z	Relative Intensity
55.05495	1.4
56.96547	0.9
67.05503	2.7
69.07056	1.6
69.51428	3.0
81.07049	2.6
91.05478	1.5
93.07011	2.5
95.08617	1.5
105.07026	1.1
119.08595	1.1
121.10122	1.4
123.50456	0.8
136.12018	1.0
145.72818	0.8
147.11707	0.9
165.12743	1.1
186.94583	0.8
229.07579	1.0
236.20903	1.3
247.82913	0.8
275.20111	0.9
289.21564	1.0
335.27658	1.7
363.27341	5.1
381.26111	100.0
382.26532	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	382.1708
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
54.05940	0.8
56.96529	0.8
57.07071	3.1
59.05003	1.9
62.93653	0.8
67.05503	2.0
69.03419	1.3
69.07059	2.3
69.77697	2.0
70.02941	1.8
72.04510	8.3
73.02911	2.8
79.05475	1.1
85.02908	5.2
85.06560	4.6
88.07639	0.9
88.41930	0.7
90.05553	56.5
93.07090	1.1
95.04993	3.9
95.08590	0.9
96.08084	1.1
97.02860	1.8
97.06521	3.3
98.02405	9.8
98.22784	1.5
99.04428	0.7
100.03964	1.1
101.46304	0.8
103.07574	2.9
113.05976	2.3
116.03451	9.0
121.10172	1.3
124.07600	8.3
125.05984	1.5
131.07066	0.8
142.08604	2.9
150.89786	0.7
150.90971	0.9
153.09097	0.9
160.09702	2.1
166.08609	1.2
171.06522	3.5
174.11221	1.1
184.09677	12.4
185.08081	7.8
185.11630	0.9
201.11212	1.3
202.10710	20.8
203.09122	1.8
203.11604	1.5
220.11787	100.0
221.12151	2.7
383.09320	3.4
383.13593	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59041	1.2
50.91445	1.4
55.05500	3.4
57.07082	1.8
62.14799	1.5
67.05499	4.3
69.03442	2.4
69.07072	6.0
69.17101	7.9
71.04986	4.4
74.75869	1.3
77.75935	1.3
79.05504	3.5
81.07046	3.9
83.04979	4.2
85.02905	4.1
85.06542	100.0
91.05480	2.1
92.27123	1.3
93.07035	9.4
95.04980	3.0
95.08593	7.5
97.02858	2.8
97.06528	14.8
98.22734	3.5
103.07581	7.6
103.27121	1.5
107.08627	2.6
109.10143	17.6
111.11731	1.5
113.06003	7.0
121.10156	8.6
123.08093	5.9
123.11784	1.4
131.08607	3.2
137.09647	5.0
139.11183	20.6
149.09624	11.0
155.10690	5.8
165.07672	1.3
167.10680	87.5
168.11035	3.3
185.11703	9.0
203.12791	35.9
214.56181	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33283	0.2
54.98642	0.3
56.96282	0.4
56.96565	8.0
69.89084	0.2
69.89442	0.6
69.93393	0.2
71.95271	0.6
98.97581	100.0
99.96397	0.2
99.97911	0.7
116.98621	47.8
117.98972	0.2
134.99657	12.6
140.00185	0.7
153.00616	1.0
158.01180	0.3
174.97664	0.3
177.00978	0.3
181.97397	0.4
184.44585	0.3
198.97662	0.3
216.98730	1.1
217.98953	0.5
218.98601	0.2
219.02034	0.5
225.96370	0.2
234.99844	1.5
235.99930	0.6
240.98663	4.8
241.99031	0.2
258.99756	66.4
259.99957	4.2
261.00095	0.4
261.02997	0.9
274.97589	0.3
275.97861	0.4
277.00809	74.0
278.00989	5.1
279.01080	0.5
282.01355	0.7
282.99887	1.7
284.00024	0.4
284.99786	0.5
292.98639	0.3
295.01831	0.7
298.97891	0.3
299.97974	0.9
300.02368	1.3
300.97775	0.4
301.00925	1.8
302.01044	0.4
303.01114	0.4
312.21436	0.2
316.98840	0.4
317.98987	1.3
318.98660	0.6
334.03116	0.3
341.98849	0.5
342.98294	0.3
343.01938	0.5
359.00012	0.5
360.00052	1.8
360.99597	0.6
379.24435	0.2
382.99872	2.1
384.00079	0.3
401.01053	7.0
402.01505	1.1
404.86606	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54046	0.4
67.43324	0.4
69.28298	2.3
91.05463	2.6
93.07059	0.5
95.04948	0.5
96.16267	0.4
98.22622	0.6
101.52953	0.5
109.84107	0.4
115.05441	2.1
117.05743	1.2
117.07006	2.8
118.06542	44.5
119.06853	0.7
128.60567	0.5
132.08078	0.7
136.07487	0.6
142.06519	4.0
143.07333	4.3
144.04463	1.1
144.08087	21.2
145.08409	0.8
146.06006	100.0
147.06371	2.3
155.06052	0.8
160.07582	1.5
164.07040	4.1
170.04689	0.7
170.06017	7.1
177.05496	0.6
178.08626	18.4
179.08987	0.7
188.07063	70.7
189.07378	2.8
196.09689	92.5
197.10063	3.0
236.09079	0.9
254.10211	1.8
383.16016	29.5
383.21439	1.4
384.16260	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	383.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.6
55.01865	4.2
55.05509	4.5
57.03443	3.3
57.07071	0.9
67.05505	6.5
69.03419	0.6
69.07066	4.7
71.08611	0.9
72.61045	0.5
79.05486	5.1
80.11652	0.5
81.07054	26.5
82.07399	0.6
83.04979	2.7
83.08616	2.0
88.59796	0.5
91.05476	2.5
93.07052	4.0
95.08614	4.9
97.06535	1.5
102.14155	0.6
105.07031	4.0
107.08599	4.7
107.09279	0.7
109.06525	11.1
109.10173	3.2
110.75519	0.5
111.04439	17.4
111.08097	1.1
112.04758	0.5
113.06014	0.7
117.07001	1.1
117.64497	0.5
119.01424	0.4
119.08579	4.7
121.10143	4.2
123.08038	2.5
123.11711	1.7
125.05991	7.4
131.08556	2.2
131.46021	0.5
133.10123	4.0
135.08023	2.9
135.11671	4.4
137.05975	100.0
137.13245	1.3
138.06291	2.6
139.07588	0.8
143.08571	1.3
144.25841	0.6
145.10120	2.1
147.08037	1.7
147.11682	6.2
149.09598	3.9
149.13243	1.4
151.07532	3.1
151.11163	1.4
157.10136	1.7
159.11691	0.8
161.09604	6.0
161.13277	2.4
163.07513	0.7
163.11189	3.1
165.09138	2.6
167.10667	0.8
171.11696	1.0
173.09566	0.8
175.11174	4.6
175.14836	1.1
177.12831	0.6
179.10670	1.5
181.12224	1.0
185.13210	0.6
189.12801	1.1
193.12267	1.3
203.17955	6.0
213.16415	2.5
221.19005	2.1
231.17458	7.5
241.15971	1.1
249.18477	10.6
250.18855	0.6
259.17001	0.6
277.17975	85.5
278.18311	5.1
295.18982	9.4
296.19583	0.6
351.21692	5.9
352.22073	0.7
383.11249	2.8
383.24222	14.6
384.24753	1.0
384.30688	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	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	15.8
55.05505	32.9
57.03415	17.4
57.07071	9.0
59.05004	4.8
61.02926	13.0
62.96349	3.5
63.40507	3.6
67.05505	44.0
69.03434	46.0
69.07066	27.4
69.60635	10.4
71.01327	5.5
71.04986	56.7
73.02914	13.4
73.06544	4.4
79.05487	38.4
80.05018	4.1
81.03413	35.7
81.07054	97.2
83.04984	16.5
83.08625	19.2
85.02897	62.9
85.06543	5.1
87.04449	5.0
91.05479	39.6
93.07037	76.3
95.04959	35.0
95.08599	71.0
97.02896	35.8
97.06520	15.9
99.04463	14.1
99.08083	6.0
103.03957	14.5
105.07024	93.6
107.04961	11.7
107.08599	76.9
109.02906	5.6
109.06516	21.6
109.10150	62.8
111.04459	17.8
111.08076	6.7
113.06070	4.3
115.03919	9.6
115.05466	5.3
117.06972	18.6
119.04960	5.7
119.08571	100.0
120.04467	7.6
121.06526	11.7
121.10144	66.6
123.04408	7.2
123.08074	17.6
123.11684	34.0
125.05959	4.6
125.09645	29.3
127.03927	11.5
127.11185	39.8
127.89121	4.6
128.06236	12.5
129.06999	11.3
130.07747	4.3
131.08560	40.1
133.10127	74.3
135.08063	9.5
135.11690	54.6
137.05977	7.3
137.09651	20.5
137.13269	6.7
139.07561	4.4
139.11209	4.5
141.07022	5.9
142.07808	8.9
143.08543	30.1
143.10672	4.8
145.04927	5.9
145.06494	7.6
145.10106	54.5
146.06020	3.9
147.08049	11.4
147.11688	48.5
148.07561	5.4
149.09605	8.3
149.13269	16.1
151.11185	8.6
152.14409	5.0
153.01761	5.0
153.12761	17.6
155.08572	10.7
156.09390	8.7
157.10135	43.9
159.08044	6.2
159.11685	72.8
159.12961	6.3
161.09599	10.3
161.13252	25.1
163.11162	9.7
163.14839	5.9
165.07004	4.7
165.09105	4.9
165.12776	7.3
166.07855	4.1
168.09329	4.8
169.08775	4.1
169.10054	19.3
171.08067	5.8
171.11682	32.8
173.09633	5.9
173.13284	16.1
175.11166	8.7
175.14835	14.6
177.09019	4.4
177.12767	12.8
177.16383	6.6
179.10695	4.5
181.04959	19.7
181.10123	10.7
183.11696	16.4
185.09583	5.4
185.13290	17.4
187.11215	6.4
187.14824	12.8
188.07053	5.3
189.09099	7.2
189.12750	9.7
189.16344	26.7
193.15860	5.0
195.11742	8.2
196.12372	4.2
196.17030	4.7
197.13281	16.4
199.14702	6.4
201.12732	14.3
201.16336	20.3
203.14337	6.8
203.17935	23.6
205.15910	6.0
207.10074	4.7
207.11794	5.6
213.12712	9.0
213.16331	10.9
215.14259	5.0
217.10715	10.2
217.15929	4.9
217.19585	4.7
219.13861	4.4
219.17406	9.0
221.18985	11.9
225.12741	13.6
227.17949	11.7
231.17389	5.9
233.18916	11.9
239.14420	3.7
239.17999	4.2
241.15933	5.3
243.13783	7.7
243.17448	4.1
245.19003	14.3
248.29140	3.4
257.19089	4.2
261.14883	11.6
261.18552	5.0
263.20111	10.2
269.18970	9.3
279.15982	5.0
281.14984	11.5
287.20053	10.5
293.18820	4.3
296.36044	4.1
299.20163	4.0
305.21143	7.3
311.20010	15.9
329.21158	22.4
347.22168	21.5
359.93591	4.0
365.23651	21.2
383.15372	5.9
383.24698	43.6
384.20120	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	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	15.8
55.05505	32.9
57.03415	17.4
57.07071	9.0
59.05004	4.8
61.02926	13.0
62.96349	3.5
63.40507	3.6
67.05505	44.0
69.03434	46.0
69.07066	27.4
69.60635	10.4
71.01327	5.5
71.04986	56.7
73.02914	13.4
73.06544	4.4
79.05487	38.4
80.05018	4.1
81.03413	35.7
81.07054	97.2
83.04984	16.5
83.08625	19.2
85.02897	62.9
85.06543	5.1
87.04449	5.0
91.05479	39.6
93.07037	76.3
95.04959	35.0
95.08599	71.0
97.02896	35.8
97.06520	15.9
99.04463	14.1
99.08083	6.0
103.03957	14.5
105.07024	93.6
107.04961	11.7
107.08599	76.9
109.02906	5.6
109.06516	21.6
109.10150	62.8
111.04459	17.8
111.08076	6.7
113.06070	4.3
115.03919	9.6
115.05466	5.3
117.06972	18.6
119.04960	5.7
119.08571	100.0
120.04467	7.6
121.06526	11.7
121.10144	66.6
123.04408	7.2
123.08074	17.6
123.11684	34.0
125.05959	4.6
125.09645	29.3
127.03927	11.5
127.11185	39.8
127.89121	4.6
128.06236	12.5
129.06999	11.3
130.07747	4.3
131.08560	40.1
133.10127	74.3
135.08063	9.5
135.11690	54.6
137.05977	7.3
137.09651	20.5
137.13269	6.7
139.07561	4.4
139.11209	4.5
141.07022	5.9
142.07808	8.9
143.08543	30.1
143.10672	4.8
145.04927	5.9
145.06494	7.6
145.10106	54.5
146.06020	3.9
147.08049	11.4
147.11688	48.5
148.07561	5.4
149.09605	8.3
149.13269	16.1
151.11185	8.6
152.14409	5.0
153.01761	5.0
153.12761	17.6
155.08572	10.7
156.09390	8.7
157.10135	43.9
159.08044	6.2
159.11685	72.8
159.12961	6.3
161.09599	10.3
161.13252	25.1
163.11162	9.7
163.14839	5.9
165.07004	4.7
165.09105	4.9
165.12776	7.3
166.07855	4.1
168.09329	4.8
169.08775	4.1
169.10054	19.3
171.08067	5.8
171.11682	32.8
173.09633	5.9
173.13284	16.1
175.11166	8.7
175.14835	14.6
177.09019	4.4
177.12767	12.8
177.16383	6.6
179.10695	4.5
181.04959	19.7
181.10123	10.7
183.11696	16.4
185.09583	5.4
185.13290	17.4
187.11215	6.4
187.14824	12.8
188.07053	5.3
189.09099	7.2
189.12750	9.7
189.16344	26.7
193.15860	5.0
195.11742	8.2
196.12372	4.2
196.17030	4.7
197.13281	16.4
199.14702	6.4
201.12732	14.3
201.16336	20.3
203.14337	6.8
203.17935	23.6
205.15910	6.0
207.10074	4.7
207.11794	5.6
213.12712	9.0
213.16331	10.9
215.14259	5.0
217.10715	10.2
217.15929	4.9
217.19585	4.7
219.13861	4.4
219.17406	9.0
221.18985	11.9
225.12741	13.6
227.17949	11.7
231.17389	5.9
233.18916	11.9
239.14420	3.7
239.17999	4.2
241.15933	5.3
243.13783	7.7
243.17448	4.1
245.19003	14.3
248.29140	3.4
257.19089	4.2
261.14883	11.6
261.18552	5.0
263.20111	10.2
269.18970	9.3
279.15982	5.0
281.14984	11.5
287.20053	10.5
293.18820	4.3
296.36044	4.1
299.20163	4.0
305.21143	7.3
311.20010	15.9
329.21158	22.4
347.22168	21.5
359.93591	4.0
365.23651	21.2
383.15372	5.9
383.24698	43.6
384.20120	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	383.2583
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.56766	4.3
55.05511	20.9
57.07069	15.4
57.72284	5.4
59.05006	8.7
59.13942	4.7
65.80893	4.9
67.05503	34.5
67.48351	5.4
69.03431	20.4
69.04556	5.7
69.07074	10.7
69.09682	22.2
69.10090	8.9
71.05000	8.9
79.05504	31.4
80.40662	4.8
81.07072	41.1
83.04982	9.7
85.06550	8.9
91.05492	44.6
93.07050	96.7
95.04975	37.0
95.08606	52.1
97.06531	19.1
105.07026	98.1
107.08600	62.0
109.06519	26.5
109.10160	25.6
111.08070	9.9
111.35669	4.9
115.05405	4.9
117.06998	12.8
119.08575	73.7
120.09279	4.7
121.06535	12.2
121.10139	46.0
123.08052	35.8
123.44757	4.3
128.06241	11.5
129.07028	10.9
130.07813	6.8
131.08560	31.4
133.06467	9.1
133.10135	38.3
135.08090	23.7
135.11678	11.7
135.71683	5.0
136.08371	4.7
137.09647	9.4
142.07780	19.6
143.08580	32.8
145.06520	10.2
145.10115	45.9
147.08086	24.3
147.11696	20.2
149.09654	26.5
151.07545	40.5
155.08553	10.2
156.09322	10.2
157.10081	47.4
158.10664	5.4
159.08089	11.2
159.11685	19.1
161.09581	27.1
161.13297	8.2
163.11180	6.6
165.09134	44.0
169.10155	7.4
170.10876	8.4
171.11691	12.3
173.09645	11.9
173.13268	10.8
175.11125	25.4
175.14795	8.8
177.09099	15.1
181.12190	6.2
183.11786	6.2
185.13278	22.9
187.11203	7.8
189.12866	9.5
196.12506	6.3
197.13329	9.4
203.14349	23.2
204.38284	5.0
207.13786	11.2
209.13373	6.6
209.15326	6.0
215.14249	10.5
219.13908	5.6
221.13234	9.7
221.15332	89.5
222.15738	8.2
227.14424	7.5
233.15480	6.0
234.16188	11.8
241.15866	5.1
287.20056	7.6
303.19366	9.1
307.93723	4.7
309.18631	5.6
365.24643	14.7
383.11542	10.6
383.20459	24.6
383.25812	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2582
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03952	3.9
55.05513	20.5
57.07073	9.5
58.03279	3.7
59.05000	8.2
67.05506	38.4
69.03430	12.5
69.07071	19.6
70.19632	3.2
71.04993	8.7
74.16712	3.3
76.02945	3.7
77.03912	5.2
79.05502	31.6
81.07057	39.2
81.08826	3.3
83.04977	4.0
83.08616	8.7
85.06570	6.1
91.05481	51.9
93.06460	4.9
93.07045	100.0
95.04959	24.0
95.08606	38.7
97.06552	15.6
102.89536	3.9
105.07031	78.7
107.08602	42.9
109.06541	22.8
109.10156	19.0
111.08067	9.2
117.07031	12.9
119.08591	61.4
121.06518	16.4
121.10147	43.0
123.08077	31.1
128.06219	9.2
129.07011	12.9
130.07837	6.6
131.08578	29.3
133.06499	13.2
133.10138	29.1
135.08057	19.7
135.11723	5.1
137.06050	5.8
137.09637	9.5
141.06973	6.0
142.07840	21.2
143.08578	28.6
144.09334	5.4
145.10126	42.6
146.07253	4.3
147.08040	21.0
147.11699	19.5
149.09602	19.0
151.07547	26.9
155.08569	9.3
156.09331	7.8
157.10126	43.2
159.08104	9.8
159.11716	15.7
161.09587	23.0
161.13287	5.9
162.73558	3.9
163.11197	6.9
165.09102	27.4
169.10204	7.5
170.10814	4.0
171.11685	7.0
173.09653	9.8
173.13268	4.6
175.11218	21.2
175.14867	6.1
177.09158	8.6
183.11700	5.2
185.09515	3.4
185.13268	19.8
187.11217	6.7
187.14850	3.7
189.12846	9.1
191.10748	4.6
193.09932	3.8
195.11609	5.8
197.13301	6.2
199.11201	4.5
201.12689	7.1
203.14281	26.0
207.13812	10.0
209.13284	4.2
209.15312	6.6
210.86919	3.8
215.14293	9.0
221.13304	3.8
221.15353	52.2
224.52200	3.4
227.14330	7.2
234.16216	7.4
286.19275	8.4
287.20001	11.1
299.20197	4.6
303.19534	6.0
365.20645	26.3
365.24518	6.6
383.21478	4.1
383.25760	67.9
384.26010	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	383.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.2
55.05507	30.1
57.07069	11.5
61.41329	3.6
64.30055	3.3
67.05510	28.1
69.07068	20.2
69.70403	14.0
71.04994	8.7
71.08619	9.9
79.05483	19.4
80.10123	3.6
81.07059	50.1
83.04969	14.8
83.08612	11.3
85.06519	10.8
91.05473	12.8
93.07049	32.7
95.08597	40.4
96.69393	4.2
97.06527	18.1
98.25063	3.5
99.08115	8.0
105.07020	13.7
107.08606	33.9
109.06535	25.2
109.10149	24.4
111.04448	100.0
111.08097	11.5
119.08555	11.4
121.10125	14.0
123.08079	30.9
123.11697	7.7
124.05161	3.8
125.05109	6.8
125.05993	93.0
125.09566	4.7
131.08578	4.6
133.10118	14.4
135.08063	32.8
135.11711	27.4
137.05977	95.2
137.09576	4.4
137.13290	6.2
139.07539	6.7
145.10109	22.4
147.11687	11.2
149.09645	8.8
149.13211	7.9
151.07552	9.6
153.12767	19.6
155.14375	5.4
157.10088	6.5
161.09596	6.2
163.11166	22.3
165.09096	6.5
165.12721	6.8
167.10634	3.8
173.13350	4.3
175.11197	7.7
179.10767	5.1
179.14311	55.4
181.12244	82.0
182.12921	13.8
193.12216	4.7
195.13809	38.0
203.17953	6.2
231.17415	6.4
249.18497	13.1
256.07330	4.5
277.18018	38.4
278.18481	5.4
291.19601	6.8
293.21231	13.4
295.18951	8.1
309.20514	5.6
319.26376	4.5
329.24637	4.5
347.25784	13.1
349.27399	64.8
350.28101	18.0
365.27118	16.9
383.27921	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	385.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
62.08266	0.5
64.81993	0.5
67.01879	4.0
67.05486	1.2
68.99791	3.0
69.03417	1.7
69.07079	0.6
79.05502	0.8
81.03397	1.4
81.07035	1.2
83.01321	0.7
83.04957	0.9
83.08603	0.5
91.05469	0.7
93.07048	1.4
95.04955	1.0
95.08616	0.6
97.02891	0.9
105.07018	1.7
107.08575	0.6
109.06492	0.8
109.10120	0.7
111.00796	1.0
111.04408	0.7
115.05460	0.6
119.08589	1.1
121.10166	1.1
123.04428	2.0
125.06071	0.6
125.09587	0.5
127.03899	0.7
131.08588	1.1
133.10147	0.6
137.05988	1.5
139.03882	7.9
143.08560	1.1
147.04433	0.5
147.11665	0.7
149.06061	0.8
151.03864	1.2
153.01825	100.0
154.02173	3.2
155.03333	0.6
157.06490	1.0
157.10036	0.7
160.05215	2.4
161.05978	7.4
163.03972	0.7
166.18633	0.4
167.07164	0.7
167.08560	0.9
169.05014	0.7
169.06393	0.6
169.10123	0.5
171.02876	5.7
171.07983	0.8
173.05934	0.5
174.06700	0.7
175.07559	2.1
179.03383	1.3
184.05258	0.9
185.05960	0.7
185.09622	0.5
186.06773	2.2
187.07516	2.3
189.09097	9.1
195.08098	1.0
199.07452	1.1
201.09023	0.8
213.09158	3.4
215.06990	0.8
215.10666	2.5
217.08574	2.5
221.08218	0.7
223.16907	3.2
226.06317	0.6
227.80334	0.6
231.10205	1.8
233.11690	0.6
237.09122	0.5
241.08614	1.3
259.07098	0.8
259.09668	10.0
261.11066	0.5
271.54034	0.5
279.06467	2.4
283.09573	2.8
295.06046	8.5
296.06662	1.0
323.09171	0.8
325.10684	21.5
326.11038	1.6
339.12241	2.1
341.10236	1.2
348.76663	0.5
357.13361	0.8
367.11642	4.5
367.15143	0.5
381.50778	0.5
385.12750	6.0
386.13202	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1281
Annotation	(2S,3S)-3,5,7-Trihydroxy-2'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone
Peak:m/z	Relative Intensity
54.62433	0.3
55.01874	1.5
55.05506	0.5
57.03428	0.3
67.01865	8.8
67.05495	0.5
68.99454	0.5
68.99791	3.4
69.03422	1.0
69.07073	3.1
70.72620	0.5
79.05500	2.9
81.03420	0.6
81.07066	0.4
83.01347	0.4
89.03923	0.8
91.05495	0.7
95.04986	0.6
97.02878	1.3
97.06532	14.8
97.60833	0.3
98.06893	0.7
98.22781	0.4
105.04502	0.5
107.04959	0.5
110.03595	0.4
111.00798	0.9
111.04427	0.7
117.03395	1.7
119.04953	0.5
123.04436	2.9
125.02355	1.0
127.03901	0.5
129.01860	0.8
133.02878	0.5
133.06537	0.4
134.03638	0.7
135.04407	2.6
137.02299	0.5
137.05966	2.3
139.03923	0.4
145.02869	2.2
147.04422	2.0
151.03896	0.9
153.01828	100.0
154.02147	2.4
159.04425	0.8
159.69843	0.3
161.02373	1.1
161.05977	0.4
163.03905	11.1
164.04303	0.3
166.02650	1.7
171.02895	22.2
172.03162	0.4
173.02330	2.2
173.05981	1.4
175.03966	0.4
179.03400	11.2
180.03755	0.4
185.06041	0.8
187.03896	0.4
189.09106	1.4
190.81425	0.3
194.08061	0.3
197.06073	0.4
199.04041	0.4
203.03381	0.4
215.07036	3.7
215.10632	2.3
217.05028	0.4
231.06575	0.7
233.11717	1.2
241.08597	1.6
247.05727	0.3
249.20975	0.3
259.05945	0.7
259.09653	5.8
269.04324	0.4
271.05783	0.5
287.05460	1.7
289.07056	1.2
299.05502	2.8
325.07053	0.9
341.10159	2.6
343.11719	0.6
367.11783	13.0
368.12167	0.8
383.77835	0.3
385.12799	25.5
386.13141	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	385.1284
Annotation	(2S,3S)-3,5,7-Trihydroxy-2'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone
Peak:m/z	Relative Intensity
55.01884	0.5
59.39703	0.3
64.93140	0.3
67.01864	3.6
67.05488	0.6
68.99795	2.1
69.03429	1.7
69.07040	0.3
79.05478	0.3
81.03414	0.5
81.07038	0.7
83.01329	0.4
85.02894	0.5
91.05478	0.6
93.03393	0.5
93.07053	0.3
95.04960	0.4
97.02887	1.0
97.06528	0.3
105.07009	0.6
109.39702	0.3
111.00799	1.1
111.04419	0.7
115.05450	1.0
123.04446	1.6
125.02361	0.4
127.03920	0.7
128.06215	0.6
129.07014	1.2
131.04941	0.4
131.08582	0.6
133.06493	0.4
139.03899	9.3
140.04218	0.3
141.07033	0.6
143.04932	0.4
143.08565	0.8
149.06018	0.4
151.03903	1.2
152.06120	0.3
153.01826	100.0
154.02176	2.4
155.03368	0.7
157.06502	0.8
157.10118	0.5
160.05200	2.3
161.04695	0.6
161.05981	7.7
162.06326	0.4
163.04018	0.4
163.07603	0.3
165.06865	0.3
167.07246	0.4
167.08507	1.3
168.05623	0.3
169.04974	0.6
169.06454	0.7
171.02902	5.8
171.04358	0.6
171.08102	0.5
172.03160	0.3
173.05940	0.7
174.06807	0.8
175.07555	1.8
179.03412	1.7
181.05000	0.5
181.06439	0.6
184.05191	0.6
185.06009	0.9
185.09560	0.6
186.06764	2.6
187.07556	2.4
189.09105	7.6
190.09412	0.4
195.02931	0.4
195.08061	1.3
197.06065	0.4
197.09677	0.3
198.06761	0.3
199.07486	0.8
201.09174	0.7
202.06221	0.3
203.10753	0.3
205.04915	0.6
213.09079	2.1
215.07071	0.6
215.10672	3.4
217.08588	2.2
226.06223	0.6
231.10156	1.8
237.09059	0.3
241.08525	1.8
251.07071	0.3
255.10239	0.4
259.09659	8.7
260.09933	0.5
279.06534	2.3
283.09631	2.9
287.05588	0.4
290.77164	0.3
292.07181	0.3
295.06003	8.7
296.06631	1.2
321.10965	0.5
323.09174	0.4
325.10690	22.0
326.10980	1.2
339.12277	2.3
341.10300	1.4
357.13239	0.4
367.11725	3.8
385.12781	5.0
385.20468	0.4
386.13074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1469
Annotation	Asp Asn His
Peak:m/z	Relative Intensity
54.10245	0.2
57.58748	0.3
63.86747	0.3
69.76299	0.7
70.18416	0.3
77.94880	0.3
79.09361	0.3
98.23384	0.5
102.28481	0.3
105.62074	0.3
109.78647	0.3
129.83728	0.3
130.94441	0.3
157.94402	0.3
160.11215	0.3
178.12238	0.3
223.09364	1.0
224.12793	0.5
244.08035	0.3
385.14664	100.0
386.14978	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	385.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40247	1.9
55.05514	1.9
56.96557	2.8
57.03442	10.6
61.02927	4.7
69.03432	31.7
69.45765	9.2
73.02914	2.9
73.06554	24.1
81.03436	4.5
85.02904	79.1
87.04475	21.2
91.03959	2.9
97.02899	35.2
99.04418	3.0
105.07032	6.1
109.02874	5.7
115.03924	32.7
117.07172	2.3
127.03898	15.5
127.27361	2.1
133.04976	31.0
133.06505	4.3
145.04961	34.2
161.06001	7.3
163.03943	4.3
163.06035	16.9
167.07030	2.7
184.97008	2.4
193.08664	6.0
217.10858	2.1
251.40048	2.1
253.12927	5.5
369.13434	2.0
385.11172	5.9
385.14749	100.0
386.14841	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	385.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.1
55.05511	15.8
55.06879	1.5
57.03447	3.0
62.37173	1.8
67.05508	14.5
69.03430	1.9
69.07069	11.8
71.05004	2.4
71.08633	16.2
71.45094	2.0
79.05497	12.0
81.03420	4.3
81.07054	15.3
83.04984	3.4
83.08650	8.6
83.85264	1.6
85.02929	2.6
85.06531	3.1
91.05488	6.3
93.07058	13.6
95.04980	7.7
95.08600	8.6
97.06539	3.1
97.10187	5.6
99.08092	10.5
105.07039	7.2
107.04942	2.5
107.08609	7.1
109.06525	6.3
109.10186	3.7
119.08601	6.3
121.06513	9.6
121.10132	4.9
123.08070	2.7
125.09660	4.0
127.70485	1.7
131.08594	5.1
133.10100	2.5
135.08078	3.5
142.33325	1.7
142.95581	1.8
144.94806	2.1
145.10118	2.0
147.11702	2.5
149.09653	2.5
151.11247	3.4
157.10162	2.1
159.11690	2.9
163.11279	2.0
164.11983	2.0
165.12820	3.7
177.12811	2.8
181.12259	13.7
189.11229	2.4
193.12263	3.9
211.13359	2.9
233.84059	1.7
237.14931	2.3
250.66853	1.5
275.20007	7.2
293.21103	100.0
294.21484	7.9
303.12769	2.5
305.21121	3.2
321.13788	6.0
351.25323	10.4
367.24786	37.3
368.25040	2.6
385.12967	35.3
385.23654	2.6
386.13547	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	385.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.3
55.01868	5.8
55.05514	14.1
57.03418	1.3
57.07068	5.7
59.05002	2.1
62.61827	1.5
65.03944	2.8
67.05506	21.3
68.00180	1.2
69.03436	6.9
69.07060	10.6
69.12378	1.4
69.66389	3.0
69.66712	3.2
71.04990	2.5
71.08635	12.2
73.06559	1.5
75.00124	1.4
79.05486	17.5
81.07056	31.3
83.04964	5.1
83.08607	3.6
85.06543	6.0
91.05472	16.6
93.07044	29.4
95.04963	9.8
95.08607	19.2
96.05745	4.4
97.02896	13.7
97.06538	8.2
97.10180	3.4
98.98454	1.6
99.08099	8.2
105.04546	2.0
105.07018	14.9
107.04929	2.1
107.08618	10.0
109.06516	14.0
109.10147	8.2
111.04442	12.3
111.08067	1.9
113.05977	5.5
117.06991	2.0
119.08582	10.7
121.06493	14.1
121.10143	14.1
122.96506	1.6
123.04448	9.7
123.08060	6.6
123.11701	2.9
124.05202	4.2
125.05988	4.7
125.09631	1.8
129.07034	1.9
131.08571	16.7
133.10150	7.4
135.08058	4.7
137.05962	3.2
137.09612	4.6
139.11174	2.6
145.06412	2.2
145.10126	4.7
147.08083	2.3
147.11688	3.4
149.09613	14.8
151.11168	2.5
157.10107	1.6
161.09669	1.8
161.13298	2.7
163.11214	5.7
165.12732	14.1
167.10657	6.7
171.11752	2.3
173.13257	2.5
175.11134	2.7
177.12701	2.1
179.14337	3.2
181.12233	100.0
182.12595	4.0
189.12753	3.4
191.14297	5.6
193.04840	2.0
193.12383	1.8
207.13780	2.3
212.21750	1.5
215.14247	2.2
231.13724	1.7
241.80032	1.5
251.16336	2.2
263.16470	4.3
277.21658	2.1
287.20248	2.0
289.21622	10.0
293.21097	10.8
305.21127	25.1
306.21564	2.1
351.25299	70.9
352.25714	5.5
367.25076	3.2
385.23724	2.6
400.96115	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.9
55.01863	24.2
55.05511	48.8
57.03426	20.6
57.07083	6.7
65.03963	7.5
67.05506	100.0
69.03421	10.4
69.07060	25.7
70.70101	5.8
71.05003	12.0
71.08615	9.7
79.05486	63.8
81.03415	13.1
81.07056	91.5
83.04978	19.1
83.08618	25.8
85.06542	16.8
87.04477	8.0
91.05476	86.8
93.07029	48.5
95.04963	45.1
95.08599	42.2
97.06539	11.8
97.10181	7.8
98.46289	4.4
99.08120	5.6
105.07028	59.1
107.04966	16.6
107.08593	51.2
109.06516	17.3
109.10157	60.2
110.05771	4.5
111.08054	12.5
113.06029	7.4
117.07004	12.4
119.08582	38.3
121.06482	7.6
121.10124	19.5
123.08060	12.0
123.11725	14.5
125.09645	19.5
129.06998	7.8
131.08554	16.5
133.06477	5.6
133.10117	84.6
135.08078	13.7
135.11679	14.6
137.09619	18.3
145.10146	12.6
145.11281	5.2
147.11691	31.5
149.09599	9.6
149.13301	7.1
151.11182	61.2
157.10152	8.7
159.11699	12.0
163.11217	10.5
165.12756	7.6
169.12256	7.8
175.11169	15.6
179.10675	5.0
193.12277	17.3
211.13287	19.5
247.20552	7.7
253.14337	20.0
257.19119	5.2
275.20032	37.8
285.16965	32.8
293.21054	24.3
313.84039	5.0
318.72043	5.2
349.23572	11.1
367.24713	46.4
385.25653	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	386.164
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	42.2
57.07084	3.4
67.05526	1.8
68.94971	1.4
69.07052	1.6
69.83442	1.7
69.83789	4.2
71.04989	2.9
71.95261	3.5
72.96056	2.2
80.94852	3.6
83.04986	2.7
86.23129	1.2
87.27809	1.3
93.06071	1.4
95.04933	2.0
97.96819	1.5
98.97558	1.6
109.41125	1.2
110.97556	7.8
123.01152	1.7
128.98601	10.7
139.00636	1.5
143.56807	1.8
146.99658	7.2
147.03310	1.7
155.03847	1.9
157.01765	2.4
161.01294	1.5
165.00832	1.5
169.01765	2.1
171.03349	2.4
175.01553	14.8
175.02756	1.5
183.03352	2.6
185.04887	2.5
189.04343	1.9
191.03909	1.8
193.05380	1.3
195.03322	2.1
197.04906	1.7
199.06310	1.5
201.04352	2.3
203.05960	5.6
205.05371	2.8
207.03322	2.0
207.06967	2.1
211.06439	2.2
213.04321	2.2
213.08073	2.7
217.05525	1.9
217.07495	3.3
223.06537	2.1
225.07996	3.8
231.07031	1.5
231.09180	2.1
235.06425	3.1
237.08044	4.4
239.09564	3.1
249.07982	2.1
251.09616	5.3
253.07629	2.0
263.05826	2.7
265.11026	2.6
267.93106	1.5
269.10678	3.0
273.08041	1.8
289.07962	1.5
289.11060	3.2
299.13223	2.8
301.14618	2.7
306.11438	2.2
317.14310	6.9
319.15729	3.7
325.13196	1.7
327.12671	22.9
328.12967	1.6
331.13104	15.6
335.15283	5.5
345.13699	56.8
346.14087	5.7
351.15405	4.1
353.16605	1.6
363.14758	100.0
364.15250	6.9
368.15268	4.7
381.15845	39.6
382.16202	3.2
386.16373	14.3
387.21707	8.4
404.17465	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	386.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96889	2.1
57.03437	25.0
59.04994	4.2
61.02914	8.0
63.77679	1.7
67.05533	2.1
69.03428	73.3
73.02922	12.0
81.03394	5.3
85.02901	98.8
86.03210	2.7
87.04469	48.2
91.03961	4.3
92.72047	2.0
95.04959	10.8
95.08582	4.5
97.02257	4.1
97.02893	60.7
97.06518	2.1
99.04436	5.3
104.42786	1.8
105.36754	2.1
107.08593	3.8
109.02877	8.3
113.09640	2.1
115.03928	78.5
124.07594	3.3
127.03909	20.5
131.10674	4.6
133.04965	100.0
137.06047	2.4
145.04961	50.6
147.04477	3.0
149.09685	2.2
150.07649	11.8
150.08781	1.7
153.12627	2.0
156.23840	1.8
163.03915	4.0
163.06006	27.4
167.10681	3.1
169.04927	2.7
171.13803	4.5
177.12762	3.0
207.13876	3.3
223.05920	2.9
225.14917	13.5
237.13316	5.4
241.07037	4.0
259.08197	5.8
277.09210	3.9
295.10254	5.9
386.14981	90.3
387.16171	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.5
55.43082	1.8
57.03432	26.5
59.04995	6.6
60.04535	1.7
61.02926	7.9
68.46676	1.5
68.78530	1.6
69.03429	77.9
69.15213	9.9
69.23835	1.8
71.05011	2.0
73.02909	10.2
74.67108	1.7
81.03407	5.2
81.24360	1.6
85.02901	94.7
87.04471	54.6
87.05003	3.5
91.03956	3.4
93.07047	1.6
95.04953	6.2
95.90561	1.6
97.02889	58.1
98.01749	1.9
98.22771	3.9
99.04471	4.6
109.02894	6.3
115.03114	3.5
115.03928	76.7
127.03922	19.6
133.04964	100.0
141.13647	1.7
145.04956	39.5
150.07608	10.3
153.09109	3.6
163.06024	23.4
167.07068	1.8
225.14886	2.4
235.66138	1.6
237.13362	4.2
241.07101	3.9
259.08130	5.1
277.09207	2.5
295.10291	2.1
369.15366	3.3
386.15100	5.9
387.16327	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	386.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.0
57.07072	11.3
59.05001	0.9
60.34804	0.8
60.55442	0.9
61.02920	1.4
65.03952	1.3
67.05502	1.2
67.66900	0.8
69.03429	3.9
69.14285	2.5
69.14697	2.8
70.06590	4.2
71.04974	0.9
73.02906	1.2
73.06551	1.7
79.05516	1.2
81.03419	0.8
81.07054	1.3
83.08611	2.4
85.02900	13.6
86.03217	0.9
87.04467	1.2
89.06026	64.1
90.06358	1.3
91.03964	0.9
95.04995	1.6
97.02892	3.4
99.04459	1.4
101.09663	10.4
105.07023	0.9
107.04981	1.8
107.07079	3.4
109.02870	1.5
109.06504	0.9
119.10665	0.9
121.06543	0.9
123.08089	1.1
127.03912	1.9
133.08600	19.5
133.09555	1.3
137.05974	3.8
145.05032	1.7
145.12238	11.0
146.06068	1.1
149.06042	1.2
151.03908	10.4
151.05032	2.4
151.09637	24.6
165.05489	3.1
167.07060	4.0
171.04404	0.8
172.03960	1.6
174.05441	1.4
180.64888	0.7
181.04958	8.6
190.08595	1.1
207.15906	100.0
208.13246	1.9
208.16298	4.4
224.09242	1.3
369.13370	1.4
387.14709	4.3
387.19232	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1287
Annotation	Axitinib
Peak:m/z	Relative Intensity
61.35818	0.5
62.90004	0.5
65.27380	0.5
69.03410	1.7
79.05475	1.4
81.03425	4.1
84.08179	0.5
85.02894	1.9
89.03906	5.0
91.05453	0.6
95.04952	1.3
97.02898	1.0
99.04461	0.6
105.07013	1.2
107.04956	2.3
107.08575	0.9
109.02864	1.9
117.03371	6.5
119.08561	1.1
123.04404	0.5
123.11653	0.5
124.07545	0.7
127.03851	0.7
135.04420	16.0
145.01727	0.7
145.02841	10.6
145.03928	1.1
147.11671	0.6
151.03870	1.0
161.13234	0.6
163.03902	96.3
164.04221	3.0
167.03473	0.6
181.04985	1.7
181.12224	0.9
207.13844	1.4
213.08420	0.6
225.07651	1.0
225.10973	1.1
225.14851	1.3
252.94228	0.5
307.08115	4.2
325.09256	2.5
355.48648	0.7
369.15146	1.9
387.16238	100.0
388.16544	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	387.144
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
51.02379	1.0
53.03948	1.5
55.01862	2.9
55.96294	0.8
57.03458	0.9
65.03938	5.9
67.05482	4.2
69.03416	1.8
69.07040	0.9
69.08538	0.8
69.15019	4.8
77.03918	1.1
79.05500	4.2
81.03400	2.1
81.07035	1.6
82.04207	1.8
84.04517	1.5
85.02901	3.2
86.09718	4.0
91.05462	5.3
92.06242	1.0
93.03419	2.5
93.07043	1.9
94.04190	2.0
95.04980	4.9
97.06528	2.0
103.05463	20.2
105.03436	1.1
105.07017	4.1
106.04160	1.1
107.04938	6.0
108.02107	2.2
109.06527	2.4
109.10147	1.3
110.03663	1.8
111.04422	2.3
115.05426	4.3
117.07012	3.6
118.04163	3.4
119.04956	2.5
119.08607	1.2
121.06493	1.6
121.10136	0.9
122.03638	8.0
123.04432	2.7
124.05202	1.2
125.06002	2.4
129.06955	0.9
130.04149	1.5
131.04919	19.1
131.08592	1.0
132.05722	1.2
133.02873	1.7
133.06477	5.0
133.10034	1.0
134.70299	0.9
135.04437	0.9
135.08022	1.8
136.07645	1.4
137.05972	100.0
138.03139	2.1
138.06310	2.9
141.05473	1.2
141.07095	0.9
143.04916	5.6
144.05663	1.3
145.06477	4.8
146.03610	1.2
146.11746	1.1
147.04390	2.4
147.08069	1.5
148.05179	11.1
149.05962	2.3
151.03905	59.0
151.04997	4.5
152.04268	1.4
153.05493	5.5
155.06024	1.7
157.06470	1.0
160.05186	1.1
161.05917	3.8
163.07529	21.7
165.05472	3.9
165.09082	1.1
167.07031	21.8
171.06525	3.7
173.05968	6.3
175.07539	4.2
176.04738	2.3
177.05466	1.8
178.06264	1.7
181.04950	86.0
182.05290	2.7
187.07570	2.8
189.05428	1.1
190.06248	1.0
191.07027	70.2
192.07414	2.9
193.08473	1.7
195.06520	1.4
203.06964	4.7
204.13821	1.5
205.08664	2.4
207.08047	1.1
207.13689	0.9
209.08115	3.0
209.15463	1.1
213.09085	0.8
215.13928	1.2
219.08162	0.9
219.10089	1.3
227.07024	1.2
233.08034	4.7
235.07518	3.2
235.09708	2.7
237.09274	1.5
247.07550	1.3
248.08145	1.2
263.07031	2.1
263.09323	1.6
264.07697	1.3
265.08624	1.5
267.10175	2.0
271.09570	1.2
273.11142	1.1
277.08624	1.3
292.07080	1.2
295.09662	3.5
297.11002	1.2
299.09088	1.9
301.10544	1.3
307.09702	2.0
309.11292	2.2
325.10754	1.9
327.12329	3.4
337.10681	1.1
339.12509	2.0
341.13876	1.8
351.12314	2.6
355.11978	4.0
357.13364	11.8
361.67743	1.0
369.13324	4.5
369.18808	0.8
383.41129	0.9
387.14404	42.4
387.19299	1.7
388.14664	2.8
388.21368	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	387.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
60.22317	0.3
69.03419	0.8
69.49892	0.8
69.50286	0.6
79.01588	0.3
79.05486	0.4
80.54338	0.3
80.65688	0.4
81.03423	0.7
85.02913	0.7
88.00844	0.3
89.03916	0.5
95.04952	1.0
95.08596	0.6
98.23392	0.8
105.07036	0.5
107.04950	1.0
109.02899	0.6
117.03364	1.2
119.08616	0.8
121.06535	0.5
121.10139	0.4
123.08083	0.6
125.02363	0.4
127.27754	0.3
127.28992	0.4
133.10043	0.4
135.04425	2.3
135.11676	0.5
145.02864	1.8
147.11691	0.5
151.03906	1.1
161.13235	0.8
163.03902	15.1
164.04251	0.8
177.05435	0.4
181.04987	0.4
181.12155	0.5
189.12720	0.6
203.05380	0.4
204.13925	0.4
207.13802	1.5
225.10992	1.0
225.14851	0.6
226.10652	0.4
261.19025	0.3
285.89691	0.3
307.08102	0.7
325.09183	0.6
354.66965	0.3
369.15161	1.4
387.16223	100.0
388.16644	6.6
388.21246	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2014
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
55.05507	5.5
57.07072	6.8
60.31512	2.0
64.97860	2.2
67.05504	23.4
70.43900	4.7
70.44261	2.9
74.39698	2.2
75.03325	2.1
76.28208	1.9
79.05500	2.5
82.00513	2.2
83.04968	2.6
85.02901	7.4
85.06547	12.8
93.07040	9.3
95.08605	100.0
96.08913	3.5
105.07038	7.8
107.08607	10.3
109.06516	4.4
113.06026	12.5
119.08585	20.1
121.10144	10.3
123.08067	25.5
123.11720	5.1
131.08531	2.5
133.10097	4.1
135.11681	12.3
147.11688	5.6
149.09619	35.6
150.01689	2.4
151.07526	3.1
151.14775	3.1
161.13258	9.8
163.11205	6.4
165.12753	6.1
189.12785	12.3
193.84709	2.2
207.13805	52.6
208.14079	2.8
387.16220	2.9
402.12262	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	387.2012
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.55013	2.4
55.05507	2.7
55.97635	2.8
56.08151	2.2
58.87605	2.3
59.04998	12.6
65.76169	2.6
67.05505	7.9
69.03422	12.3
69.07068	8.6
69.32682	4.8
69.33086	7.9
79.05482	5.7
81.03380	3.5
81.07050	11.4
83.04990	6.4
85.02901	14.2
87.04469	7.0
91.05480	8.6
93.07046	29.3
95.04976	6.1
95.08617	11.6
97.02919	4.0
97.06551	3.2
101.06010	10.8
105.07033	20.3
107.04955	2.8
107.08593	42.2
109.06512	5.6
109.10166	3.4
111.08060	2.6
117.07015	5.0
119.08591	12.9
121.10205	7.2
123.08083	13.4
131.08598	4.1
133.10161	5.1
137.05983	14.1
137.09633	7.0
139.11201	4.3
139.42082	2.3
143.08559	2.8
147.08055	3.6
147.11694	10.4
149.09613	4.8
151.07565	4.3
151.11172	75.9
153.05539	2.9
156.09344	3.6
161.09637	4.0
161.13269	13.4
163.11159	3.9
171.11694	4.9
177.12704	5.3
179.14394	3.5
189.12730	12.9
207.13789	100.0
225.14851	78.0
268.52643	2.2
357.13013	2.9
358.75751	2.7
387.14618	4.6
387.19376	6.4
388.21637	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	37.7
60.15875	0.8
67.05498	1.5
69.93055	2.3
71.95269	1.3
74.97625	0.8
79.05481	1.3
80.05830	0.7
81.07051	2.1
84.09069	0.7
89.06055	0.8
91.05465	2.0
93.07040	1.6
95.08583	1.0
97.96796	1.3
98.22705	0.7
98.97564	0.9
99.04462	2.0
105.00143	0.8
105.01231	0.7
105.06987	1.2
107.08519	0.9
110.97582	2.6
115.00686	0.9
117.07009	1.0
119.01735	0.8
119.35534	0.7
120.08113	1.0
123.01204	1.9
128.98624	5.0
129.02235	2.0
129.07045	0.9
130.07326	0.8
131.08574	1.7
137.02762	1.3
139.00668	0.7
141.02197	1.7
143.00134	0.8
143.08606	1.1
145.10162	1.0
146.99626	2.4
147.03288	2.6
153.02287	1.4
155.03757	1.5
159.03246	1.3
159.06554	0.9
161.04834	1.0
162.12814	2.0
167.03812	1.2
171.03271	2.0
173.04802	1.0
177.05867	1.0
183.03302	2.4
184.00447	1.1
184.26912	0.7
185.04852	3.9
189.04378	1.2
191.03831	1.3
191.05951	1.0
193.05397	1.1
195.06926	1.1
197.04871	1.8
199.06401	2.5
203.05894	2.3
204.13838	9.0
205.05328	2.3
207.06955	1.7
209.08530	0.9
211.06474	2.1
213.08003	0.9
215.05829	1.0
217.05399	1.3
217.07463	2.3
219.06866	1.7
221.08601	1.0
223.06386	0.8
225.07983	8.0
229.07350	1.3
231.09004	1.1
235.06390	1.1
235.10060	1.5
237.07961	6.1
239.09491	2.0
243.09010	4.6
245.08594	1.0
249.08031	0.8
251.09515	2.0
253.11087	8.9
255.09023	3.2
256.26419	1.2
260.16602	1.3
263.09506	2.1
269.10596	1.0
271.12186	3.0
273.11731	1.5
275.09445	3.8
276.12665	1.3
289.10834	0.8
291.12790	1.7
293.10730	1.3
301.14865	1.0
305.14096	0.9
309.13751	0.9
329.14218	27.5
330.14395	1.9
347.15262	100.0
348.15579	5.5
365.16333	61.5
366.16623	4.5
370.12799	1.0
370.16733	5.1
370.24451	1.4
383.17206	2.0
388.17514	6.5
388.21143	11.3
388.25546	5.1
388.30554	2.4
389.22723	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	388.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59999	0.8
52.42065	0.7
55.05495	0.8
56.96565	43.8
62.76783	0.6
70.21927	1.7
70.22264	0.9
71.95263	2.8
72.96067	0.8
74.97620	0.9
79.05492	0.9
80.94846	1.1
81.07026	1.3
84.96032	1.3
93.06997	1.2
97.96822	2.7
98.23466	0.7
98.97592	4.4
105.00143	1.2
105.07028	2.2
106.06544	0.8
107.04922	1.2
110.97579	8.1
112.99113	0.7
115.97822	1.6
116.98622	1.8
123.01192	1.6
124.99105	0.8
127.00658	1.0
128.98608	9.4
129.02213	1.5
131.00140	1.2
133.08627	0.8
134.99641	1.5
137.02753	3.0
137.09575	0.9
138.12802	1.0
139.00613	1.7
141.02269	1.2
143.00174	0.9
146.99664	4.9
149.01276	0.9
151.00656	1.4
153.02144	3.7
155.03748	1.4
157.01724	2.5
159.03319	2.2
161.01225	0.8
165.02263	1.3
167.00220	0.8
167.03827	2.1
169.01764	1.7
169.05238	0.9
171.03294	15.2
173.04883	3.2
175.02832	2.1
177.04326	1.1
179.03879	1.5
181.05405	1.7
183.03314	4.1
183.06741	0.8
185.04846	6.8
187.02798	1.3
189.04343	16.0
191.05991	1.4
193.05383	0.9
195.03406	0.9
196.04028	0.9
197.04845	3.0
199.02859	1.1
199.06435	5.3
201.04367	2.2
201.07942	1.9
202.05147	0.9
203.05922	6.6
204.13817	9.6
205.05350	1.7
205.07268	0.8
207.03297	0.8
209.04845	2.5
211.06445	2.4
212.03592	0.7
212.05762	0.9
213.07903	1.3
215.05919	2.2
217.05560	1.0
217.07483	5.4
219.07004	1.6
219.09015	1.8
220.03911	0.8
221.04868	1.0
223.06383	1.8
224.03510	1.0
225.04350	2.1
225.07930	2.0
227.05945	6.9
229.07484	2.9
231.06879	1.5
231.09041	0.9
235.02907	1.0
235.06395	1.1
235.10002	0.8
237.07881	3.2
239.05928	0.8
239.09550	1.1
240.68076	0.7
243.09167	4.4
245.07007	3.1
247.08527	1.6
249.04396	3.7
249.08011	1.8
250.05199	1.8
251.09491	1.2
253.07637	1.1
255.09010	9.3
260.07092	4.3
260.16541	1.5
261.10132	2.4
265.07480	1.4
265.11035	0.8
266.10483	1.3
267.05588	0.8
267.09012	3.7
269.10538	4.6
273.09973	3.6
275.12881	1.1
278.08209	14.4
278.10837	1.6
279.09003	3.0
281.14157	0.9
283.08545	3.6
285.09982	1.3
287.11621	1.7
290.10498	0.9
292.12360	0.8
293.10635	0.9
295.08594	0.8
296.09323	3.8
297.09671	1.3
299.13388	0.8
301.09750	3.1
301.14893	1.8
303.12747	1.8
307.12433	0.9
311.13229	1.5
317.14111	1.8
318.71616	0.9
319.15707	1.7
321.13654	1.5
329.14206	33.0
330.14490	2.1
335.15051	1.0
347.15277	100.0
348.15643	5.9
353.17148	1.1
365.16348	63.4
366.16666	4.7
370.16864	11.4
383.17395	5.7
388.16666	7.8
388.21240	11.8
389.22977	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	388.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91345	1.2
55.05507	1.4
56.96564	66.0
61.76727	1.1
67.05527	1.8
69.05974	5.4
69.06380	2.3
69.07064	4.8
71.95253	3.4
91.05462	2.0
97.96798	1.6
98.97559	3.1
105.00141	2.2
107.08607	1.4
110.97561	4.9
115.00732	1.8
123.01235	1.9
128.98608	5.5
131.08540	1.4
137.02718	3.2
138.12839	1.4
139.00679	2.3
141.02301	3.0
143.00148	1.5
146.99652	2.0
151.00662	2.7
153.02170	3.9
157.01753	2.3
159.03250	1.4
161.01236	1.6
162.12827	1.9
167.03812	3.1
169.01756	2.2
169.05322	2.1
171.03310	9.3
175.02734	2.1
179.03784	1.7
181.01733	1.5
181.05264	1.6
183.03186	1.6
185.01160	1.3
185.04877	3.9
187.02763	1.7
187.04434	1.3
187.06454	2.3
189.04320	8.3
195.06926	1.4
197.04865	2.1
199.02875	1.5
199.06390	9.0
201.04305	1.8
203.05870	2.6
204.13841	15.1
205.05475	1.5
209.04947	1.7
209.08458	4.3
211.06374	4.5
213.04193	2.2
213.07944	1.8
215.05788	2.0
217.05438	2.7
217.07489	11.7
221.08430	1.5
223.06398	3.5
225.07930	3.7
227.06010	2.7
227.09540	37.0
227.11807	2.0
229.07532	2.1
233.08499	1.7
235.06401	3.3
239.09641	1.7
241.07448	4.0
243.09105	2.0
245.10625	34.1
246.10938	1.5
247.06494	2.2
249.49762	1.2
250.11295	2.0
251.09525	4.1
252.66293	1.4
253.07480	5.2
253.11143	4.2
255.09038	4.0
260.16440	2.5
261.07727	1.9
265.07477	3.9
267.09027	6.9
269.10577	5.4
275.12915	1.9
279.08972	5.6
283.08585	6.6
295.08481	6.9
296.09195	2.0
297.10132	7.2
301.14484	1.3
303.16415	1.9
313.09671	3.0
314.54459	1.2
318.09970	1.7
319.15292	1.5
321.17239	4.0
329.14203	94.2
330.14746	6.2
347.15283	100.0
348.15540	7.0
365.16364	55.8
365.20422	1.2
366.16858	2.9
370.16946	15.0
383.17328	4.1
388.17493	5.0
388.21741	19.1
388.25522	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	388.212
Annotation	UCS1025 A
Peak:m/z	Relative Intensity
51.58140	0.3
53.03955	0.3
55.01867	0.4
55.05502	0.6
60.84072	0.3
65.03941	0.4
66.05418	0.2
67.05502	0.8
68.05029	0.7
69.03430	3.6
69.07053	0.6
69.68059	0.9
71.04994	0.5
76.01044	0.2
79.05497	2.2
80.05005	0.3
81.03414	0.4
81.07059	1.6
82.06583	0.4
83.01337	0.4
83.04997	0.3
83.07362	1.0
84.08168	0.4
85.06572	0.3
86.09702	0.3
90.62367	0.3
91.05489	1.7
93.07050	2.0
94.06542	0.3
95.04972	1.5
95.08604	0.6
96.08141	3.9
98.09723	0.4
98.23395	0.3
99.04473	0.5
103.05462	0.6
105.04507	0.3
105.07053	1.5
106.06550	1.0
107.04961	1.2
107.08610	1.1
108.05702	0.3
108.08112	0.3
109.06518	0.7
109.08929	0.3
110.09689	0.3
111.08096	0.6
115.05423	0.4
115.70782	0.3
117.07027	0.6
118.06530	0.5
119.04920	0.5
119.07307	0.5
119.08571	1.2
120.08109	2.7
121.06489	1.1
121.08923	0.4
121.10142	0.6
122.09664	0.6
123.04418	0.8
123.08047	0.4
124.11250	0.7
125.09584	0.3
127.03928	1.2
128.06232	0.4
128.10725	0.5
129.06989	0.5
130.06540	0.7
131.04941	0.7
131.07307	0.3
131.08575	0.8
132.08121	0.4
133.05273	0.3
133.06445	0.4
133.10109	0.3
134.09665	0.6
135.04419	0.4
135.08067	0.5
136.11220	2.1
137.05980	2.4
137.09654	0.4
138.06354	0.6
138.12775	10.3
139.07547	0.5
139.13121	0.4
140.04628	0.3
141.05482	0.4
143.08583	0.4
145.06480	0.9
145.10062	0.3
145.58237	0.3
147.06799	0.8
147.08040	0.7
147.11662	0.4
148.07559	2.0
149.06090	0.4
149.08469	0.3
149.09602	0.5
151.03908	0.6
151.07567	0.4
153.05484	0.4
154.12265	0.4
155.03410	2.4
155.07043	1.1
157.10086	0.3
159.08084	0.6
159.11720	0.5
160.11221	0.3
161.08430	0.4
161.09631	0.5
162.09142	1.1
162.12782	4.2
163.07513	0.6
164.10695	0.6
164.14380	0.5
165.05498	1.5
167.07054	1.3
171.08014	0.3
173.05995	0.6
173.09583	0.4
174.12779	0.8
175.07545	0.8
176.10718	0.4
176.14339	3.1
177.05513	0.3
179.07080	0.5
181.04958	0.7
183.06532	1.7
183.07933	0.3
186.12814	0.9
187.07594	0.3
187.11154	0.7
188.14380	0.8
189.09103	0.3
190.12296	1.1
191.14287	0.5
193.08560	0.4
195.06493	0.4
197.09744	0.4
198.10478	0.3
199.11215	0.4
204.10110	0.8
204.13824	26.1
205.08641	0.5
205.14285	1.5
206.15443	0.8
207.06526	0.4
207.10190	0.4
208.13194	0.3
209.15569	0.3
214.15970	0.3
215.07158	0.3
215.10643	0.4
217.08682	0.5
218.11816	0.4
218.15459	0.3
225.09239	0.4
232.16966	0.7
233.08130	0.7
234.08702	0.3
234.18611	0.8
247.09782	0.4
260.16443	5.0
263.09265	0.4
271.09689	0.3
273.11200	1.2
275.12766	6.5
275.15546	0.4
276.13074	0.5
285.11374	0.3
303.29041	0.3
328.11685	0.6
329.10944	0.3
341.17349	0.5
345.19379	0.4
358.13354	0.3
359.10715	0.3
360.21585	0.7
370.20093	0.7
388.21170	100.0
388.25241	4.4
389.16284	0.5
389.21478	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	388.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17115	0.3
53.03507	0.3
65.03937	0.5
67.05499	0.6
69.03424	0.6
69.07088	0.4
79.04234	0.3
79.05486	1.5
81.03428	0.3
81.07053	0.7
85.02879	0.6
86.09675	0.4
89.06012	0.3
91.05484	0.7
93.07027	0.6
95.04969	0.7
95.08617	0.4
96.08163	0.3
97.02869	0.5
98.22861	0.3
99.04429	0.3
103.05464	2.3
105.07005	0.9
106.06545	4.1
107.04953	2.8
107.07354	2.6
107.08571	0.5
108.08116	7.5
109.02846	0.3
109.06528	0.4
109.10143	0.3
110.03608	0.3
111.04491	0.4
111.08051	0.4
119.04977	0.3
119.08558	0.4
120.08102	0.4
121.06487	0.5
121.08887	0.6
121.10151	0.4
122.03623	0.3
123.04410	0.4
123.06808	2.4
123.08039	0.3
127.03867	0.4
131.04922	0.8
131.08585	0.4
133.10117	0.3
135.08101	0.3
136.11201	0.3
137.05968	1.5
138.06303	0.6
138.12779	0.8
145.10114	0.4
148.07549	0.3
150.09135	44.9
151.09915	100.0
152.10283	2.8
153.05409	0.6
155.03416	0.3
155.05789	2.8
157.10098	0.3
162.12770	0.6
165.05464	1.0
167.07039	1.5
175.07526	0.6
177.05431	0.3
178.08641	0.3
178.77542	0.3
181.04977	1.2
183.06577	0.4
183.11678	0.4
186.12857	0.3
193.08438	0.3
204.13832	4.5
204.15567	0.5
208.13351	0.4
209.08093	0.4
214.08644	0.3
226.12253	0.3
232.16975	0.4
252.62192	0.3
258.14844	0.3
260.16501	0.9
275.12711	0.6
327.12323	0.4
344.15070	0.3
358.13623	0.6
359.14825	0.4
370.12729	0.7
388.13403	1.5
388.21008	6.9
388.24780	37.4
389.16000	0.6
389.20837	0.5
389.22217	0.5
389.25473	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1441
Annotation	Dehydrologanin
Peak:m/z	Relative Intensity
53.03944	1.7
55.58830	1.2
57.03426	1.3
59.05002	1.8
67.05505	1.3
69.03432	2.7
69.29221	5.8
69.29617	2.9
71.01353	1.7
79.05488	6.9
81.03415	2.9
84.37209	1.2
85.02898	6.0
91.05482	2.9
92.53089	1.4
93.07038	3.5
95.04962	15.2
97.02892	4.0
103.05476	4.6
105.03380	1.1
105.04463	2.2
107.04951	100.0
108.05293	2.1
109.02888	11.0
109.06513	1.5
121.06511	6.8
123.04397	3.3
125.02351	2.8
127.03941	1.7
131.04918	1.9
133.02853	4.5
135.04399	2.1
139.03871	5.4
149.06032	7.1
151.03908	16.1
165.05478	55.3
166.05867	1.4
167.07033	6.5
177.05475	17.7
195.06499	8.1
209.08102	10.8
227.09174	5.7
322.01434	1.4
392.32669	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1442
Annotation	Dehydrologanin
Peak:m/z	Relative Intensity
53.03946	2.2
59.04999	2.7
61.54261	1.6
67.05491	2.3
69.03415	3.9
69.30243	7.1
71.01369	2.6
77.03923	2.1
79.05486	9.1
81.03410	4.9
81.07017	1.5
85.02913	8.4
91.05485	4.0
93.07028	5.3
95.04964	20.2
97.02861	3.7
103.03939	1.5
103.05476	2.5
105.04523	2.0
107.04951	100.0
109.02880	15.7
109.06522	2.3
121.06526	9.7
123.04408	6.5
125.02348	2.9
125.06015	1.7
131.04889	2.3
133.02838	3.8
135.04449	2.1
137.05969	2.1
139.03870	6.1
149.05959	7.7
151.03903	22.3
153.05490	2.1
158.14902	1.4
159.04436	1.9
165.05478	57.6
166.05782	3.2
167.07083	5.2
177.05496	18.0
195.06590	13.1
199.17831	1.4
209.08109	9.9
209.15416	3.1
227.09138	4.5
227.16383	1.8
235.06927	1.4
327.06799	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1708
Annotation	GS-3
Peak:m/z	Relative Intensity
50.53283	0.3
52.06418	0.3
65.03933	0.3
67.05488	0.5
69.03410	0.5
69.07059	0.3
69.09270	2.0
79.05472	0.7
81.07056	0.4
89.03925	0.8
91.05473	0.5
93.07037	0.9
94.06560	0.5
95.04986	0.4
95.07318	0.7
95.08615	0.3
96.08123	1.2
98.23486	0.6
103.05479	0.6
104.97765	0.3
105.06997	0.4
107.04940	1.0
107.08591	0.3
108.08142	0.6
110.09692	2.5
116.04978	6.4
119.08529	0.3
120.04481	0.5
120.08125	1.5
122.06028	2.0
123.06747	0.3
124.07632	0.4
125.02304	0.3
131.04979	0.5
134.06029	0.3
136.07561	1.5
137.05994	0.8
138.09108	1.9
139.13153	0.4
144.04440	13.9
147.08015	0.3
148.07527	0.9
162.05493	5.8
163.07457	0.3
165.05452	0.9
166.08633	3.3
167.07024	0.5
172.03925	58.6
173.04276	2.0
176.07169	0.3
177.05438	0.5
189.04242	0.3
190.04968	0.7
191.14340	0.3
204.06548	100.0
205.06866	3.7
205.14130	1.2
207.06316	0.3
209.08070	0.3
209.90909	0.3
213.95212	0.3
325.11963	0.4
329.14740	0.5
339.13306	0.8
347.64896	0.3
357.14426	22.9
358.14673	1.4
389.16223	0.5
389.21432	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	389.1783
Annotation	Trp Pro Ser
Peak:m/z	Relative Intensity
50.34032	0.3
79.05495	1.1
81.07055	0.3
85.02902	0.9
85.08471	0.3
86.09730	0.4
91.05479	1.4
93.07055	0.6
95.04980	0.4
105.07036	1.1
105.70420	0.3
107.04937	0.5
107.08578	0.4
109.06512	0.7
119.04949	0.5
119.08614	0.3
121.06503	0.5
122.69473	0.3
127.03940	0.4
133.06499	0.4
133.10121	0.5
147.04419	0.8
149.05972	0.4
161.05989	0.9
161.13261	0.3
163.03897	1.1
173.13251	0.3
177.05437	0.6
187.72537	0.3
193.08632	0.7
195.06522	1.0
203.05280	0.5
209.08185	0.5
209.11461	0.8
209.15294	0.7
211.96797	0.3
227.09138	0.5
227.12523	0.7
227.16484	0.8
301.12500	0.4
321.26767	0.3
371.16843	4.5
386.38892	0.3
389.17810	100.0
390.18173	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	389.2169
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
55.05496	6.4
57.03428	2.5
57.07071	3.1
61.84815	1.5
65.82923	1.6
67.05489	7.2
69.03432	9.3
69.07063	5.1
69.51060	7.0
71.04986	4.7
79.05486	8.6
81.03399	2.3
81.07056	30.4
83.04990	5.2
83.08624	3.7
85.02893	14.8
85.06538	10.9
86.09713	2.9
91.05476	8.8
93.07049	27.5
95.04967	10.1
95.08605	22.4
97.02898	3.7
97.06535	13.9
98.22648	2.7
99.04443	4.1
99.08095	9.0
103.05475	2.6
105.07021	18.1
107.04960	11.1
107.08590	66.5
108.08910	3.0
109.02899	5.0
109.06516	12.1
109.10147	17.7
111.08065	4.8
117.07021	2.2
119.08586	16.8
121.06500	10.3
121.07214	1.9
121.10139	35.8
123.08086	11.1
125.06000	2.7
125.09615	4.8
127.03922	3.1
127.50924	1.6
131.04929	4.1
131.08574	13.9
133.06480	2.2
133.10124	40.2
134.10434	2.0
135.04428	2.0
135.08076	11.1
135.11708	5.7
137.06020	2.0
137.09628	7.5
139.07532	3.2
139.11177	11.0
145.04988	2.2
145.10133	10.0
147.11688	14.1
149.09599	14.6
149.13246	39.4
150.13618	2.4
151.03931	2.1
151.11174	18.2
153.09105	11.2
158.10884	2.8
161.13268	4.1
162.72031	1.7
163.07561	1.8
163.14806	23.0
165.05473	5.3
165.12830	2.5
167.07018	3.0
167.10625	6.3
173.13248	40.0
174.13574	3.4
177.05486	2.1
179.14336	3.6
191.14296	100.0
192.14642	4.8
193.08543	2.9
203.06244	1.6
209.08125	3.5
209.15359	56.1
210.15587	2.5
227.14215	3.4
227.16415	64.4
228.16881	4.6
276.88699	1.8
327.17810	5.6
371.19089	2.7
389.17819	38.4
390.18179	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.217
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
53.03942	3.5
55.05513	4.8
55.42228	3.1
57.03434	7.0
61.02943	3.0
67.05505	5.9
69.03431	10.9
69.07076	7.1
71.05003	25.3
71.23325	3.8
79.05500	8.1
81.03416	3.1
81.07059	12.9
83.08624	8.5
83.57726	2.9
85.02905	30.2
85.06545	9.5
88.20460	3.0
91.05495	9.8
93.07057	14.7
95.04977	14.8
95.08629	11.3
97.02917	5.5
97.06552	21.4
99.04461	89.8
99.08119	4.6
105.07033	20.0
107.04953	22.0
107.08595	27.4
109.02893	6.8
109.06520	44.5
109.10147	18.0
111.08070	3.2
113.09666	6.7
115.07581	9.5
119.08601	9.2
121.10149	24.5
123.08103	19.1
123.08863	3.3
123.11722	8.9
125.09653	8.4
127.03928	6.7
131.08583	9.2
133.10138	63.2
135.08115	5.9
139.11185	5.2
145.04965	4.7
145.10150	4.8
147.11691	30.4
149.09628	100.0
149.13269	13.3
151.03918	3.8
151.11192	12.3
153.09117	15.1
163.14828	4.9
165.05463	13.7
165.12794	4.8
167.10712	5.4
167.14275	3.0
169.12292	10.4
173.13271	29.6
177.05527	3.9
183.13860	23.9
187.83466	3.4
191.14320	48.1
195.06717	3.5
209.15381	93.6
210.15765	4.7
227.16406	99.0
228.16841	5.5
288.55380	3.2
339.24957	3.0
341.63651	3.4
389.15622	4.2
389.21310	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	389.217
Annotation	Icariside B5
Peak:m/z	Relative Intensity
53.57288	3.7
54.49381	3.5
55.05504	10.5
57.03448	4.8
59.04993	2.9
61.02917	3.9
67.05515	9.6
69.03425	11.0
69.07065	10.8
70.54794	6.3
71.04988	10.7
72.55777	2.9
73.69559	3.2
76.97601	3.4
77.22437	2.8
79.05482	13.3
81.03407	6.6
81.07051	17.7
83.04975	10.8
83.08640	6.8
84.62467	3.6
85.02913	29.2
85.06535	7.2
86.09698	4.8
91.05478	18.0
93.07068	23.5
95.04974	65.6
95.08603	9.4
97.02908	5.2
97.06529	26.8
99.04448	11.2
103.05481	4.6
105.07042	32.6
107.04965	4.3
107.08595	26.1
109.02873	5.8
109.06522	39.8
109.10163	16.7
115.07574	22.5
119.08566	7.2
121.10154	58.7
123.08050	7.5
123.11676	5.2
125.09586	3.5
127.03921	3.2
127.07563	3.7
131.08580	11.1
133.06509	17.8
133.10124	50.4
135.08064	8.4
135.11671	6.1
143.08551	3.6
145.10095	8.8
147.11696	22.9
149.13237	4.7
151.11176	6.4
153.09108	31.0
161.05998	28.9
163.14825	11.7
167.14340	3.8
171.10155	9.0
173.13260	23.2
191.14339	35.5
192.70050	3.2
193.08560	18.1
197.41968	3.2
209.15353	100.0
209.17218	6.3
211.09602	5.6
227.16440	59.6
228.16904	4.2
358.44446	3.3
389.17795	97.9
389.21912	5.3
390.18768	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	389.2171
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
52.52788	2.4
53.03945	2.4
55.05504	7.7
57.03434	6.1
58.12759	2.4
63.31548	2.3
67.05499	6.2
69.03438	7.4
69.07072	4.8
70.06561	3.1
71.04996	9.8
72.08172	3.3
79.05502	10.2
81.07050	12.4
83.04950	3.3
83.08624	4.5
85.02917	13.8
85.06560	5.5
86.09714	6.9
91.05492	13.4
93.07043	12.0
95.04976	58.2
95.08601	8.3
97.06525	14.9
99.04465	10.8
99.08096	10.8
105.07025	21.3
107.04961	6.9
107.08606	18.2
109.02875	5.0
109.06513	22.6
109.10172	9.9
111.08099	3.8
115.05437	4.1
115.07647	2.5
119.08584	14.4
120.08130	3.2
121.06538	3.8
121.10127	21.9
123.04503	3.2
123.08017	6.1
124.07664	4.5
125.09647	6.2
127.03967	5.8
131.08577	13.0
133.06462	5.1
133.10123	43.0
134.10513	2.8
135.08070	5.6
135.11710	3.7
137.09660	2.7
139.11182	3.7
145.10149	6.7
147.04417	3.0
147.11688	33.1
149.09634	9.7
149.13257	3.0
151.11186	4.4
153.09119	29.9
161.05974	12.2
163.11168	3.9
163.14873	6.6
165.05550	4.7
165.12692	6.0
171.10129	5.7
173.13255	15.5
177.05515	4.2
179.07088	2.7
191.14299	36.1
193.08667	12.2
195.06555	3.6
209.11783	7.6
209.15363	71.7
209.17207	5.1
210.15625	4.6
211.09615	3.1
227.16423	100.0
227.18625	5.1
228.16818	3.6
254.03519	2.6
259.65509	3.1
267.88452	2.5
288.12360	9.3
389.17328	39.9
389.22379	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	389.217
Annotation	Debiloside B
Peak:m/z	Relative Intensity
53.03951	1.6
55.01873	1.9
55.05506	3.5
59.05003	2.5
60.28488	1.5
67.05494	3.9
67.34357	1.4
69.03432	6.2
69.07059	5.7
69.19286	8.6
71.04987	1.9
79.05506	7.1
80.14037	1.3
80.69912	1.3
81.03429	2.8
81.07048	11.3
83.04971	3.3
83.08607	2.1
85.02914	7.5
87.04468	4.1
91.05480	4.9
93.07044	13.9
95.04974	10.0
95.08610	6.9
95.85822	1.5
97.02909	3.5
98.23478	2.8
99.08104	2.9
103.05470	2.9
105.04536	2.0
105.07042	5.4
107.04958	42.7
107.08588	8.3
109.02893	6.0
109.06516	4.4
109.10157	2.3
111.08073	3.0
119.08630	1.7
121.06541	4.1
121.10148	20.7
123.04433	1.9
123.08060	2.5
123.11697	24.7
125.09624	14.1
127.03951	2.5
131.04915	4.9
133.02838	1.8
133.10129	4.7
135.08124	2.4
137.05940	2.4
137.09645	1.7
139.03896	1.8
139.11191	1.8
139.55380	1.4
147.11740	5.2
149.06035	2.5
149.09612	44.8
149.13231	2.0
150.09947	1.7
151.03914	5.5
151.11186	16.0
153.05476	1.7
153.09084	7.5
163.07570	1.5
163.14796	4.0
165.05482	22.3
165.12810	3.2
167.07069	3.9
167.10695	30.2
168.10936	1.7
173.13225	2.6
177.05502	6.1
191.14261	9.6
195.06602	3.1
209.08110	4.3
209.15375	33.8
227.09106	1.8
227.16391	17.9
240.10095	1.9
327.17938	2.3
389.17801	100.0
390.18057	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	389.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.6
55.01873	1.9
55.05506	3.5
59.05003	2.5
60.28488	1.5
67.05494	3.9
67.34357	1.4
69.03432	6.2
69.07059	5.7
69.19286	8.6
71.04987	1.9
79.05506	7.1
80.14037	1.3
80.69912	1.3
81.03429	2.8
81.07048	11.3
83.04971	3.3
83.08607	2.1
85.02914	7.5
87.04468	4.1
91.05480	4.9
93.07044	13.9
95.04974	10.0
95.08610	6.9
95.85822	1.5
97.02909	3.5
98.23478	2.8
99.08104	2.9
103.05470	2.9
105.04536	2.0
105.07042	5.4
107.04958	42.7
107.08588	8.3
109.02893	6.0
109.06516	4.4
109.10157	2.3
111.08073	3.0
119.08630	1.7
121.06541	4.1
121.10148	20.7
123.04433	1.9
123.08060	2.5
123.11697	24.7
125.09624	14.1
127.03951	2.5
131.04915	4.9
133.02838	1.8
133.10129	4.7
135.08124	2.4
137.05940	2.4
137.09645	1.7
139.03896	1.8
139.11191	1.8
139.55380	1.4
147.11740	5.2
149.06035	2.5
149.09612	44.8
149.13231	2.0
150.09947	1.7
151.03914	5.5
151.11186	16.0
153.05476	1.7
153.09084	7.5
163.07570	1.5
163.14796	4.0
165.05482	22.3
165.12810	3.2
167.07069	3.9
167.10695	30.2
168.10936	1.7
173.13225	2.6
177.05502	6.1
191.14261	9.6
195.06602	3.1
209.08110	4.3
209.15375	33.8
227.09106	1.8
227.16391	17.9
240.10095	1.9
327.17938	2.3
389.17801	100.0
390.18057	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	389.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85775	0.4
58.60062	0.4
95.04922	0.5
109.12202	0.4
153.94899	0.4
205.14217	0.5
243.12331	0.5
283.07974	0.4
328.32245	0.4
371.15240	0.8
389.22964	100.0
390.23315	9.4
390.35696	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	0.8
63.29502	0.3
64.68330	0.3
70.06604	0.4
74.34982	0.3
79.05486	0.4
80.94863	0.4
83.08559	0.3
96.92219	0.6
107.04994	0.4
126.77674	0.3
138.23851	0.3
146.11880	0.3
149.33105	0.3
204.13750	0.4
205.14165	0.5
244.92418	0.3
284.29468	0.5
315.19220	0.5
317.22717	0.3
328.31964	0.7
330.14719	0.5
331.15829	0.5
348.15808	1.6
349.16910	2.1
353.16910	0.5
366.16913	0.7
389.12637	2.5
389.22971	100.0
390.23267	9.0
390.35782	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	4.6
64.69712	0.4
70.42251	0.7
93.71721	0.4
95.04955	0.5
95.08630	0.6
107.04897	0.6
107.08586	0.5
109.66243	0.5
124.29168	0.4
146.99673	0.5
199.06490	1.7
204.13838	0.6
205.14203	1.1
211.06300	0.7
213.08063	2.1
217.07483	1.1
229.07486	4.6
231.09026	2.1
243.08998	1.5
247.08549	2.3
251.05606	0.4
255.09013	1.2
261.10153	0.9
267.08957	0.8
269.10568	1.8
285.10117	1.3
287.11435	0.6
331.15839	1.2
349.16855	12.7
367.13889	0.5
367.17969	5.9
370.62567	0.4
389.22946	100.0
390.23373	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	389.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
69.97260	0.7
69.97613	0.9
73.11220	0.3
77.15631	0.3
91.60458	0.3
204.13785	0.4
205.14169	0.5
224.44203	0.3
328.32175	0.8
371.15158	0.7
384.13950	0.4
389.22971	100.0
390.23315	8.5
390.35797	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2664
Annotation	Plakortolide I
Peak:m/z	Relative Intensity
52.39759	0.4
55.05504	0.6
64.86738	0.5
67.05505	0.8
69.07063	0.7
69.12785	1.6
69.13207	1.2
79.05482	0.9
81.07053	1.4
90.73347	0.4
91.05465	1.1
93.07027	0.7
95.08600	0.5
105.07037	0.9
107.04967	0.6
107.08588	0.6
109.06544	0.6
109.10175	0.6
111.86147	0.5
112.99578	0.4
121.06534	0.5
145.10170	0.5
151.66692	0.4
204.13847	1.1
205.14172	2.1
209.52017	0.5
256.26263	0.6
264.12030	0.4
318.18277	0.5
371.25665	1.6
389.22006	5.0
389.26593	100.0
390.22339	0.7
390.26968	10.1
390.35156	0.6
406.64178	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.268
Annotation	7alpha-Hydroxy-3-oxochol-4-en-24-oic acid
Peak:m/z	Relative Intensity
53.03953	4.2
55.01867	2.7
55.05509	11.8
57.03444	6.2
57.07066	1.3
62.26491	0.7
65.03947	1.2
67.05161	1.4
67.05505	19.2
68.54790	0.7
69.03430	1.9
69.07066	8.1
69.22550	3.6
71.04993	22.8
71.08645	0.7
77.03955	0.8
79.05495	16.1
80.05823	0.8
81.03415	8.8
81.07057	22.2
83.04990	3.5
83.08620	4.1
85.06535	1.7
91.04939	1.3
91.05482	18.9
91.06052	1.0
92.05817	1.4
93.07046	14.6
95.04967	5.9
95.08604	13.6
97.06519	3.1
97.10169	1.5
99.08073	0.9
105.04461	1.0
105.06345	1.2
105.07029	15.0
107.04944	5.6
107.08594	7.0
109.06530	3.8
109.10159	4.4
115.05470	1.4
117.07015	8.0
119.04923	1.1
119.08588	8.8
121.06501	4.9
121.10138	6.2
123.08079	7.1
123.11708	1.9
123.18661	0.8
125.05959	2.2
125.09635	0.8
128.06218	3.3
129.07033	6.0
131.04910	1.1
131.08582	11.4
133.06534	3.9
133.10107	7.0
135.08061	4.0
135.11678	6.7
137.09604	1.6
139.07581	0.8
141.06989	3.2
142.07755	1.5
143.07002	1.5
143.08557	6.3
145.06483	4.5
145.10129	7.9
147.08037	5.7
147.11667	5.5
149.09634	2.7
149.13254	1.9
151.07526	2.9
154.07770	1.0
155.08527	2.5
157.10159	4.9
159.08096	6.1
159.11703	5.1
161.09619	5.1
161.13290	1.7
161.68033	0.8
163.11143	2.7
165.12787	1.1
167.08604	1.4
169.10109	3.9
171.11699	3.2
173.09605	5.0
173.13254	2.1
175.11255	5.8
177.12752	2.2
179.06847	0.7
181.10161	1.4
183.11696	1.7
185.09605	2.6
185.13148	1.6
187.11195	6.6
187.14796	1.3
188.11739	0.9
189.12704	4.1
193.12305	1.6
195.13847	1.7
197.13312	3.0
199.11172	1.2
199.14810	1.9
201.12715	4.3
203.14409	0.9
204.13820	1.7
205.14159	2.6
207.13844	0.9
209.13278	0.8
211.14752	1.6
213.12776	1.8
215.14316	2.2
223.13014	1.1
223.14964	1.0
227.14311	1.8
229.15891	1.6
231.13795	2.1
233.15308	1.1
239.17650	0.9
241.14388	2.7
243.13728	1.2
243.17371	1.5
245.15414	1.0
255.17395	1.0
257.19089	2.3
261.14655	0.9
267.17401	1.8
273.22046	1.5
274.42264	0.8
275.27386	1.6
283.20508	6.2
285.18549	8.6
293.28430	1.1
297.22073	3.5
299.19943	1.3
301.21558	15.3
302.21832	1.0
303.19534	5.6
315.23059	1.9
317.21158	2.8
325.25253	1.7
335.29318	1.5
343.26236	3.3
353.24658	11.3
354.24573	0.8
371.25671	100.0
372.25995	10.2
389.21652	5.7
389.26645	34.1
389.30960	0.6
389.31851	1.3
390.27100	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2686
Annotation	7alpha-Hydroxy-3-oxochol-4-en-24-oic acid
Peak:m/z	Relative Intensity
51.02403	2.7
53.03938	7.0
55.01867	4.4
55.05508	20.8
57.03439	8.4
57.07071	6.2
65.03941	2.8
67.05505	29.6
69.03416	3.5
69.07069	19.1
69.08938	17.8
71.04991	40.1
71.08618	4.6
79.05499	22.2
80.07991	2.4
81.03431	13.1
81.07056	37.8
83.04996	4.7
83.08614	7.5
85.10172	3.3
91.05484	24.4
93.07056	27.3
95.04974	11.5
95.08604	30.5
97.06528	5.7
97.10172	7.5
105.04461	4.4
105.07018	26.7
107.04959	6.5
107.08606	13.5
109.06509	9.5
109.10143	7.2
113.06028	4.9
117.07001	9.8
119.05003	3.1
119.08576	17.8
121.06519	9.6
121.10130	8.4
123.08083	11.4
123.11726	4.1
125.09560	2.9
128.06194	3.2
129.07014	7.4
131.08562	23.2
133.06531	8.2
133.10132	10.3
135.08054	6.1
135.11693	7.5
141.06987	6.8
141.94580	2.9
142.07761	2.9
143.08574	12.4
145.06497	6.5
145.10085	14.7
147.08060	9.4
147.11685	7.6
149.09584	6.2
149.13242	4.9
151.07571	7.8
154.07732	3.7
155.08521	3.0
157.10150	10.3
159.08073	11.0
159.11685	12.6
161.09612	9.5
163.11169	4.6
163.13242	2.8
169.10117	3.5
171.11670	6.4
173.09644	10.9
173.13242	3.5
175.11192	9.7
177.12733	4.9
179.08492	2.8
183.11661	4.9
185.09576	3.7
185.13271	4.3
187.11218	13.5
189.12747	5.6
199.11108	3.0
201.12761	6.6
204.13815	3.4
205.14149	7.9
231.13867	5.8
238.29813	3.0
239.18001	3.7
241.14212	3.7
255.17181	2.6
267.17432	7.3
283.20639	9.0
285.18433	17.0
297.22174	7.1
299.26025	3.6
301.21561	22.2
301.80869	2.8
303.19461	10.9
315.23276	5.1
317.21179	7.7
335.23395	2.9
343.26343	3.8
353.24753	14.1
355.28403	14.5
371.25809	100.0
372.26016	6.6
374.07611	5.7
389.10172	5.9
389.21475	25.8
389.26743	40.9
390.22495	6.0
390.27158	5.1
397.95584	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	390.176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16188	0.9
53.03925	1.1
55.01878	3.1
57.03410	1.1
57.49899	1.0
61.02935	2.2
69.03452	4.7
69.78603	3.5
69.78951	0.9
79.05489	6.3
80.93259	1.1
81.03429	1.4
85.02905	13.1
91.05484	5.8
91.49574	0.9
95.05013	2.5
97.02900	4.1
98.23417	1.0
103.05464	6.6
105.07032	55.8
105.48831	1.0
106.07352	2.3
107.04234	0.9
107.04942	2.3
109.06512	1.9
114.63423	1.0
115.05431	10.9
118.04172	4.8
119.04954	6.0
121.06520	1.2
123.08108	1.0
127.03912	2.0
131.04897	1.6
133.06494	48.9
134.03667	1.2
143.05020	1.3
143.06020	5.2
145.05020	2.5
147.04433	1.2
149.05966	2.5
151.03909	4.2
151.07536	4.2
153.05505	2.1
161.05980	100.0
162.06372	4.0
167.07063	2.7
168.07851	3.0
179.06964	1.9
180.08711	2.9
193.08603	82.3
194.08923	2.6
196.07294	1.6
211.06017	1.7
211.09634	16.4
228.12334	2.4
239.15450	1.0
286.33176	1.0
291.34866	1.1
387.34158	1.1
390.18195	13.7
391.15405	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	390.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.1
61.02924	1.0
62.55002	0.8
63.90691	0.8
69.03429	1.2
69.59374	3.6
70.06590	1.0
79.05496	5.9
81.03416	1.0
85.02908	5.8
91.05468	1.9
97.02902	2.3
97.06487	0.9
98.12463	0.8
103.05463	5.6
105.07027	50.7
106.07339	2.2
115.05447	10.0
118.04152	3.0
119.04958	1.5
123.04458	2.0
123.08069	1.2
124.07589	3.6
131.04984	1.5
133.06487	45.5
134.06836	1.9
137.05922	1.5
143.04984	1.7
143.06041	3.8
145.04979	1.6
149.41263	0.9
151.37825	0.9
152.14622	0.9
161.05972	100.0
162.06320	4.0
165.05475	0.9
169.08694	1.5
180.08644	2.0
193.08598	79.8
194.08952	2.7
197.08032	1.1
200.10265	0.9
210.15788	1.1
211.09659	2.5
220.38896	1.0
288.12292	6.0
354.69168	1.0
390.16156	3.6
390.23196	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96283	3.4
56.96564	65.8
61.85143	1.3
70.36171	3.0
71.95254	4.5
80.94865	2.0
97.96825	3.3
98.97578	3.8
105.00138	1.7
110.97573	6.9
115.00675	2.8
119.01724	1.6
127.00717	1.6
128.98610	6.3
135.93321	1.5
137.02759	4.9
139.00684	3.5
141.02257	1.9
145.01651	2.1
146.99684	1.5
151.00726	1.8
151.04190	1.4
153.02213	4.5
155.03799	4.0
157.01665	2.8
159.03314	1.8
161.01128	1.8
165.02284	2.3
167.03835	7.2
169.01770	1.8
171.03267	11.8
173.04939	1.7
181.05338	2.3
183.03374	2.9
185.04852	14.7
187.06351	1.7
189.04396	5.9
191.06010	2.0
193.05296	2.1
195.06972	5.3
197.04871	2.4
199.06398	15.0
203.04131	1.9
203.05817	10.1
205.07582	2.1
207.06924	2.2
209.05014	2.0
211.06436	7.9
213.07945	13.9
215.05898	1.8
217.07471	12.4
221.08540	5.3
222.07884	1.7
223.06500	1.6
225.07935	10.7
227.09561	5.8
229.07457	1.9
231.06894	4.8
231.09087	12.9
237.07973	8.6
239.09572	7.4
241.11192	3.0
243.09166	3.8
245.10677	6.2
249.07913	8.3
251.09576	17.5
255.09021	48.3
256.09412	2.2
257.10651	4.4
262.08731	2.1
267.09018	69.0
268.09247	2.5
269.10587	90.2
270.10968	4.6
273.10110	24.1
277.11063	1.7
278.10577	3.6
279.09006	2.5
280.10004	1.7
285.10068	79.8
286.10339	2.8
287.11630	27.4
290.10550	3.6
291.12482	2.2
292.12207	6.6
303.11142	6.7
308.05539	1.5
308.11591	4.8
326.12827	1.5
331.15863	17.8
332.16504	1.8
349.16818	59.2
349.20990	3.2
350.17093	4.0
355.18350	1.5
367.17911	100.0
368.18063	7.0
373.19623	1.5
385.18875	5.1
390.19315	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	390.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	52.9
57.07073	1.0
64.69644	0.7
69.07082	1.2
70.06589	1.4
71.03032	0.7
71.95271	2.1
72.96041	1.7
76.34839	0.7
77.26360	0.7
79.05502	0.8
80.94830	1.1
81.07060	1.0
84.96014	0.8
85.05309	0.9
88.07658	1.1
91.13181	0.8
97.96838	2.8
98.97604	1.7
105.00108	2.0
108.19698	0.9
110.97570	5.6
115.00704	1.3
119.01727	1.2
119.08591	0.8
123.01176	1.7
128.98619	5.5
132.10193	4.6
137.02757	2.8
139.00613	2.0
141.02240	2.8
143.00191	0.8
146.99638	1.6
147.03230	0.8
151.00726	1.4
151.04271	0.8
153.02238	3.9
155.03737	2.0
157.01691	1.6
159.03322	0.9
161.01236	0.9
165.02234	1.0
165.05879	1.3
167.03812	2.9
169.01735	1.9
169.05365	0.9
171.03299	6.1
173.04834	2.0
181.05350	3.1
183.03181	1.6
183.07001	0.8
185.04846	7.1
187.06458	1.0
189.04353	4.6
191.05884	1.2
193.05392	1.3
194.13815	1.2
195.06956	3.0
197.04805	1.9
199.06392	12.3
203.05879	7.2
205.05362	0.9
205.07350	0.9
207.06874	2.4
209.04811	1.3
209.08527	1.2
211.06406	5.2
213.05965	1.2
213.07991	20.3
217.05460	1.6
217.07426	10.4
219.06998	1.3
221.05089	0.9
221.08530	2.6
223.10078	1.0
225.07980	9.7
227.09520	4.3
227.33365	0.8
229.07480	2.0
231.06929	2.6
231.09023	17.4
236.09616	1.6
237.07928	4.2
239.09564	8.3
241.11168	2.2
243.09102	4.4
245.10664	3.5
248.09668	0.9
249.07986	5.4
251.05797	0.9
251.06662	0.9
251.09538	17.2
254.10609	0.9
255.09026	26.9
256.09543	1.1
257.10599	3.4
259.12268	1.3
267.09039	39.5
268.09476	1.2
269.10602	100.0
270.10901	4.7
273.10080	13.5
274.10825	0.9
278.10651	3.1
279.09073	1.1
280.09882	1.2
283.08136	0.9
285.10095	43.6
286.10483	1.7
287.11642	29.5
288.12173	1.0
290.10632	2.5
292.12256	8.8
303.11151	3.1
308.11710	3.2
313.14706	0.8
331.15781	7.7
333.20465	1.1
349.16867	25.6
350.17126	2.0
355.18295	1.2
367.07904	1.5
367.17923	52.5
368.18240	3.9
372.18347	1.4
385.19168	3.8
390.19235	6.4
390.27167	0.9
390.35791	15.8
391.20401	1.9
391.36249	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09746	1.3
55.05501	5.0
55.70667	1.1
57.07059	2.3
58.97435	1.4
61.26784	1.2
62.92436	1.2
64.59587	1.3
67.05499	3.7
67.43284	1.3
69.03424	1.7
69.07074	8.8
69.28959	1.3
70.63242	1.5
71.04979	4.7
79.05487	3.8
79.32996	1.1
81.03387	1.8
81.07068	9.2
83.08611	3.5
85.02905	3.8
91.05471	9.9
93.07038	5.8
94.07427	1.4
95.04999	2.7
95.08606	9.3
97.06512	1.4
105.07029	19.9
107.04955	4.3
107.08591	13.7
109.06505	2.2
109.10162	2.7
117.07001	3.8
119.08577	100.0
120.08869	2.5
121.10149	3.5
123.11715	2.8
131.04901	1.5
131.08598	1.8
133.10121	20.0
137.06010	2.5
147.11674	5.5
149.02342	2.5
151.03908	2.6
163.06085	1.5
165.05499	1.8
166.05870	2.2
167.07053	4.5
173.13240	1.4
175.14816	75.4
178.08591	2.6
179.09424	1.8
187.00769	1.3
193.12219	3.5
193.15875	3.6
211.09517	1.6
211.17110	1.5
215.09128	1.8
233.10049	2.8
253.40398	1.3
358.10867	2.3
390.22498	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	391.1235
Annotation	Eustomoside
Peak:m/z	Relative Intensity
53.03931	1.3
55.01873	1.8
57.03409	1.1
57.07060	0.8
59.06845	0.9
61.02915	2.1
66.29510	0.7
67.05505	2.3
69.03429	6.3
69.22123	0.8
69.96777	1.9
71.04992	3.2
71.08633	1.1
77.03926	1.3
79.05501	2.3
81.03425	3.5
81.07054	1.4
85.02901	18.9
91.03953	1.1
91.05481	2.4
93.07034	2.3
95.01318	1.8
95.04967	45.8
95.12309	0.7
96.05323	1.3
97.02887	9.5
97.06533	5.2
103.05405	0.8
105.04513	1.9
107.04957	2.5
109.02879	19.4
109.06532	5.4
111.04433	0.8
111.08096	2.7
119.04927	1.2
121.02886	1.2
121.06506	2.5
123.00795	5.2
123.04429	28.2
125.02351	82.7
125.05978	1.2
126.02674	1.9
127.03915	3.2
137.05983	9.8
137.09644	0.7
141.01814	5.2
141.05472	12.1
145.04977	2.6
147.04417	2.4
149.02344	11.0
149.06009	3.3
151.03900	66.4
152.04245	1.3
152.81941	0.8
153.05391	1.4
165.05479	11.2
167.03389	12.1
167.07057	2.1
169.04921	8.7
175.03969	1.7
177.05475	10.9
183.06528	2.8
191.93149	0.8
193.04968	7.0
193.08568	0.9
195.06529	15.4
203.07011	0.7
211.06006	100.0
212.06425	4.9
213.07547	1.5
213.11230	3.8
215.07057	1.2
229.07057	84.9
229.15515	1.2
230.07390	3.9
257.08075	1.0
391.19818	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	391.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53258	0.2
50.59286	0.2
52.56659	0.2
55.01877	0.3
55.05499	0.5
57.07073	0.3
57.53083	0.2
58.48245	0.2
67.05497	0.9
69.03427	0.4
70.22870	0.3
70.23203	0.4
71.08642	0.3
74.12207	0.2
75.42268	0.3
79.05482	0.7
81.03419	0.3
81.07058	1.2
91.05471	1.0
93.07041	1.0
95.04973	0.3
95.08643	1.1
97.02861	0.2
98.22780	0.2
100.11264	0.2
100.19749	0.2
105.07024	0.8
107.04943	0.3
107.08598	0.7
109.10143	0.3
117.07059	0.3
119.08566	1.0
121.06552	0.3
121.10149	0.9
123.04430	0.4
129.80179	0.2
131.04912	0.4
131.08524	0.6
135.11726	0.3
137.05991	1.1
137.32686	0.3
145.10146	1.2
147.11589	0.3
149.02353	2.7
149.05949	0.3
151.03900	0.4
151.07574	0.5
155.08521	0.2
157.10155	0.5
163.03958	1.3
167.03386	0.3
167.07039	9.1
173.13283	0.3
175.14749	0.3
181.04942	1.0
181.08601	0.6
182.15248	0.3
185.13255	0.3
187.14870	0.9
199.14813	0.3
201.16412	0.4
211.09653	0.5
233.10721	0.4
243.09166	0.8
244.09946	3.3
245.10722	1.4
246.11368	0.3
247.12271	1.3
255.09140	0.3
256.09842	1.3
257.10733	7.7
257.13452	0.5
258.11505	1.4
259.12302	11.8
260.12637	0.9
261.10199	0.2
269.10703	0.4
271.08664	0.4
271.12244	0.5
272.09454	2.3
273.09964	0.6
274.10941	0.7
275.11804	2.3
285.10223	4.6
286.10565	0.5
287.11783	4.8
288.12030	0.4
289.13312	2.0
290.13608	0.3
299.08231	0.3
300.09186	0.4
302.10257	0.6
303.11285	16.7
304.11618	1.3
305.12704	0.3
313.09784	1.7
315.11267	2.0
317.09439	0.3
317.12842	1.3
318.12787	0.3
319.10709	0.5
319.14200	0.3
323.08167	0.8
329.13153	0.3
331.07037	0.4
331.10760	5.7
332.11328	1.2
333.12296	1.7
335.13962	0.5
345.04648	0.4
345.12335	5.6
346.12607	0.4
347.13928	4.9
348.14212	0.3
355.15314	0.5
358.59830	0.3
359.10220	2.6
361.11844	1.9
363.09564	0.3
363.13507	1.7
373.11746	0.3
373.27600	0.4
391.12866	100.0
392.13181	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	391.16
Annotation	Adoxoside
Peak:m/z	Relative Intensity
53.88082	1.1
53.96494	1.0
55.01883	1.5
55.05515	10.0
55.25129	1.2
57.69322	1.2
67.05502	3.3
67.76318	1.0
69.03421	3.5
70.06645	1.3
71.01361	3.7
79.05495	9.4
81.03429	4.2
81.07058	51.4
83.04977	3.5
85.02915	4.3
91.05475	5.8
93.07048	7.9
95.04977	3.9
95.08603	8.3
97.02900	6.6
103.03958	2.0
103.05465	3.5
105.07040	19.2
107.04942	12.1
107.08609	2.9
109.02885	1.4
109.06520	66.0
111.08063	2.7
115.05450	1.7
119.03420	2.6
119.08614	1.7
121.06510	3.6
123.08070	10.0
125.05955	1.6
127.03979	1.4
133.06487	21.9
134.06880	1.5
135.08083	4.8
137.05980	16.7
141.05511	1.4
143.03430	1.6
149.02348	2.4
149.05992	3.8
151.07545	33.3
152.00262	1.3
153.09137	1.5
155.07079	2.5
161.05956	12.2
161.06941	1.1
163.07552	8.6
165.09123	3.7
167.07028	20.5
167.10640	1.2
169.08678	6.6
179.07037	100.0
180.07410	5.1
185.05991	2.4
193.08601	5.0
195.10161	8.2
197.08076	23.0
199.03813	1.3
211.09634	12.2
211.13322	2.0
213.11224	23.5
229.10710	49.0
230.11009	1.8
253.08594	1.7
355.77570	1.2
359.07590	1.3
373.13336	1.3
391.09912	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	391.1599
Annotation	Adoxoside
Peak:m/z	Relative Intensity
53.03939	3.5
55.01868	3.1
55.05504	9.2
57.58047	1.7
67.05498	5.5
69.03431	4.4
69.17239	7.6
71.01342	3.0
72.23168	1.9
77.03920	2.5
79.05500	16.1
81.03428	9.2
81.07055	53.9
83.04972	5.3
85.02898	8.2
88.18102	1.9
91.05492	14.1
93.07046	23.9
95.04941	8.4
95.08592	10.7
97.02873	7.2
97.06535	2.5
103.05463	3.0
105.04474	2.1
105.07030	33.1
107.04959	19.6
107.08600	4.7
109.02863	4.2
109.06514	66.4
110.76949	1.9
115.05415	2.0
117.07010	1.9
119.03401	3.4
119.08534	2.6
121.06485	8.0
123.08080	15.1
125.02303	2.7
131.04912	2.3
133.06502	30.9
133.10060	3.0
135.08003	10.9
137.05960	18.8
139.07507	3.4
141.05455	11.6
143.03392	8.5
145.02800	2.4
149.02342	5.6
149.05960	5.0
151.03961	3.3
151.07542	43.5
155.06998	8.5
157.04890	3.0
161.05978	16.1
163.07497	12.3
167.07047	32.9
169.08620	17.9
179.07019	100.0
179.32201	2.0
180.07407	5.6
181.08443	2.6
183.10150	4.5
187.06032	5.4
193.08609	7.3
195.10126	13.8
197.08099	33.8
211.09637	23.3
211.13063	2.3
212.09808	2.6
213.11215	34.2
217.61357	1.9
228.21191	2.3
229.10699	50.2
265.32156	2.1
290.10419	2.6
391.09830	6.2
391.18887	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	391.16
Annotation	Adoxoside
Peak:m/z	Relative Intensity
53.03954	2.6
54.67562	2.0
55.01851	2.6
55.05517	2.5
61.02923	4.0
63.97250	2.4
67.05492	2.8
69.03439	4.9
70.40971	4.3
79.05490	28.9
81.03424	6.2
81.07050	17.1
85.02904	18.0
91.05493	11.6
93.07052	10.0
95.04978	20.7
95.08614	7.6
97.02902	10.1
103.05486	5.2
105.07033	33.9
106.87664	2.3
107.04961	17.0
107.08638	2.1
109.02879	11.5
109.06514	29.0
111.04474	4.7
111.08077	38.5
113.98849	2.2
115.03904	2.1
115.05434	2.3
117.07034	5.6
121.06515	18.8
123.04446	7.1
123.08089	5.6
127.03905	19.8
133.06479	16.1
135.04437	10.1
137.05951	11.1
141.05450	28.7
141.06311	2.6
145.04994	5.3
151.03899	28.6
151.07520	19.2
153.05521	2.9
161.06012	7.5
165.05476	11.4
167.07039	38.3
168.70534	2.1
179.07030	100.0
180.07431	3.1
193.08580	25.3
197.08096	18.9
211.09663	53.9
229.10701	11.4
231.42078	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	391.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.1
56.42555	0.9
67.05534	1.6
69.59274	4.0
74.48377	1.1
79.05508	2.1
80.94937	0.9
81.07063	1.3
91.05530	1.1
95.08626	1.5
132.10243	1.7
149.02344	8.0
189.97287	1.1
203.10600	1.1
212.93465	1.1
275.07755	1.1
284.29431	1.1
390.35632	3.4
391.24661	100.0
391.36002	3.3
392.25131	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	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09197	0.5
56.51412	0.4
56.96562	2.2
57.07073	1.7
58.06609	0.8
69.11479	2.7
70.06590	3.9
71.08635	0.9
72.08167	0.8
84.08154	0.7
88.07616	1.1
93.07058	0.5
102.09174	0.8
132.10204	1.6
146.11758	1.6
147.12216	0.6
149.02351	1.2
199.06407	0.6
209.10587	0.5
210.25523	0.5
217.07388	0.6
243.09126	0.6
255.09067	1.9
267.09048	2.3
269.10571	3.1
273.10236	0.7
284.29510	1.6
285.09988	2.4
285.29791	1.1
287.11765	1.3
309.14471	0.6
321.16870	0.9
328.32016	4.7
329.32428	4.4
333.17242	0.6
351.18375	3.7
369.19455	8.1
390.35840	11.4
391.24548	100.0
391.35806	13.4
392.21045	0.5
392.24963	7.5
406.95309	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
57.07077	0.9
69.44758	1.1
69.45161	0.8
70.06591	1.8
71.08633	0.6
75.30336	0.3
80.77834	0.3
80.94845	0.4
81.07052	0.5
86.09702	0.4
88.07617	0.5
95.08588	0.5
100.81481	0.4
105.07027	0.4
119.08540	0.6
121.10163	0.7
128.54321	0.4
132.10202	0.7
149.01337	0.4
149.02322	2.2
159.69092	0.3
185.71489	0.4
198.43915	0.5
284.29465	0.8
285.29767	0.5
296.86447	0.4
315.16446	0.6
328.32153	1.4
329.32462	1.0
373.12143	1.6
390.35678	4.1
391.24533	100.0
392.24747	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	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	0.3
58.19202	0.3
66.85100	0.3
69.49432	1.2
70.06583	0.4
76.14729	0.3
89.90365	0.3
98.23384	0.6
102.09171	0.4
203.97095	0.3
207.21420	0.3
227.14894	0.4
240.45383	0.3
284.29434	0.7
285.29868	0.5
292.25235	0.3
306.82449	0.3
321.16693	1.3
368.18121	0.4
390.35803	1.2
391.24539	100.0
392.24875	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	391.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09836	0.9
55.05498	3.3
56.10476	1.0
56.96549	3.5
57.07069	2.3
67.05489	3.2
69.07053	2.3
69.67171	2.9
71.08604	1.8
78.44739	1.0
79.05494	6.1
80.94837	2.1
81.07054	9.2
83.08596	1.3
85.06531	1.4
91.05475	7.3
93.07030	7.6
95.04971	7.7
95.08607	5.5
96.78510	1.0
97.06530	2.3
105.04521	1.0
105.07033	14.8
107.08584	6.0
109.06512	2.4
109.10101	1.7
115.05430	1.3
117.07001	2.6
117.17188	0.9
119.08582	12.5
121.06479	2.0
121.10125	5.1
128.06146	1.8
129.06990	1.9
130.07693	1.6
131.08521	5.4
133.10123	2.9
135.08037	1.3
141.06940	1.1
142.07732	2.0
143.08575	7.4
144.09348	1.0
145.10135	9.8
146.32565	1.1
147.08047	1.5
147.11661	2.7
149.02353	5.3
149.09555	1.2
153.06920	0.9
155.08490	3.0
156.09283	2.5
157.10133	7.5
158.10898	1.2
159.08070	1.3
159.11639	2.9
161.09659	1.5
168.09366	1.6
169.10135	4.7
171.11659	4.7
173.09578	1.3
173.13246	3.0
179.08461	2.2
180.09305	1.4
181.10059	2.2
182.10890	1.1
183.11690	4.7
185.13304	1.7
189.11073	1.2
191.14253	1.1
192.09311	1.2
193.10117	3.2
194.10973	1.4
195.11580	3.3
197.13211	2.8
199.14690	1.2
207.11617	3.2
208.12302	1.4
209.13141	3.1
211.11089	1.2
211.14757	2.0
217.16020	1.1
219.11612	2.2
220.12468	1.4
221.13191	3.4
223.14771	2.3
233.15314	1.2
235.14821	1.4
237.16283	2.1
245.13185	1.2
247.14709	1.4
249.16190	3.1
263.17776	1.4
264.18225	1.2
267.17172	1.1
277.19284	1.3
282.20062	1.2
287.17807	1.2
315.16318	1.6
329.32639	1.1
331.12936	1.7
332.16013	1.3
333.17261	1.6
335.20071	2.2
349.16797	1.3
350.17105	5.3
355.18494	1.6
368.18314	6.1
373.12311	4.7
373.25131	4.6
391.14975	5.9
391.24496	100.0
391.35324	6.9
392.24792	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	391.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02295	0.4
53.03861	0.7
55.05399	2.1
55.05684	0.8
57.03320	0.5
57.06954	1.5
59.04890	0.9
61.62918	0.4
67.05374	3.1
67.05763	1.0
69.03340	0.8
69.06932	2.8
69.07347	1.0
71.04906	0.9
77.03815	0.6
79.05347	3.8
79.05842	0.7
81.06910	6.7
81.07427	1.0
83.04822	1.6
83.08456	1.4
83.08928	0.7
85.06441	0.7
91.05327	5.9
91.05943	0.7
93.06889	6.9
93.07887	0.5
93.19745	0.5
95.04818	1.7
95.05356	0.5
95.08444	9.3
95.09109	1.2
97.10049	0.9
98.23450	0.8
103.05334	0.4
105.06863	12.9
105.07632	1.5
107.04795	1.8
107.05442	0.5
107.08422	17.3
107.09232	1.6
107.27148	0.3
108.08813	0.7
109.06348	3.9
109.09991	6.4
109.10787	0.6
110.10324	0.4
111.07993	0.5
115.05282	0.5
117.06849	3.4
119.04793	0.5
119.08410	16.4
119.09309	1.2
120.08736	0.6
121.06326	5.9
121.09969	10.3
123.07893	7.2
123.11539	1.7
125.05887	0.7
128.06149	0.6
129.06815	1.5
130.07640	0.7
131.08554	7.8
133.06313	2.7
133.10120	25.2
133.11044	1.7
134.10371	0.9
135.04309	0.7
135.08011	2.0
135.11508	2.4
137.09612	5.2
139.07420	0.7
141.06860	0.6
142.07640	1.1
143.08374	2.8
144.09270	0.8
145.06285	1.7
145.10112	27.6
146.10361	0.9
147.08043	8.4
147.11667	3.9
149.02176	1.6
149.09619	4.3
149.13142	0.9
151.07390	0.5
151.11035	0.6
155.08369	1.8
156.09140	1.0
157.10097	6.7
158.10651	1.6
159.08049	4.9
159.11679	10.0
160.11952	0.8
161.09592	4.2
161.13226	4.1
163.03706	1.6
163.07387	1.0
163.11217	2.2
163.14633	2.0
165.05293	1.0
165.09064	3.2
167.08383	0.5
167.10504	0.9
169.09947	2.0
170.10750	0.6
171.11668	3.6
172.12486	4.7
173.09618	4.6
173.13234	5.1
175.10970	1.9
175.14622	1.8
177.12662	0.7
177.16220	1.8
179.06903	0.7
181.09944	0.6
182.10757	2.0
182.12204	0.4
183.11528	1.5
185.13220	3.4
186.10210	0.4
187.11165	0.8
187.14804	28.5
188.14989	1.3
189.12572	2.0
189.16388	3.0
191.14183	0.9
195.11470	0.6
196.12308	0.6
197.13251	5.3
198.13570	0.6
199.14804	2.0
200.11781	0.8
201.12488	0.8
201.16231	1.6
203.14285	4.8
205.15875	2.6
206.16150	0.4
207.11575	0.5
209.12988	0.5
211.09645	2.8
211.14673	1.2
213.12773	2.6
213.16180	1.8
215.14297	47.2
215.17395	1.3
216.14677	2.4
217.15868	7.6
225.16182	0.7
227.17862	0.6
229.15878	2.9
231.13492	0.6
231.17267	0.7
233.15344	47.5
234.15645	2.2
235.16731	1.8
239.14160	0.5
239.17761	0.5
243.17279	0.7
249.16309	0.5
251.16374	14.0
261.18378	1.2
265.19336	0.5
267.17419	0.8
279.21161	0.5
281.18961	0.6
284.46719	0.4
285.18552	0.6
293.22531	0.8
295.20813	0.5
295.24075	0.6
299.20026	0.6
311.23520	0.7
319.24139	1.4
329.24741	0.8
337.25186	4.5
343.26257	1.4
355.26279	14.9
356.26651	0.8
364.18588	0.4
373.27341	100.0
374.27634	7.6
391.12842	0.8
391.28409	30.7
392.28741	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	391.2843
Annotation	CCRIS 3989
Peak:m/z	Relative Intensity
55.05503	3.1
55.65613	0.5
57.07038	2.0
61.94009	0.5
65.03927	0.8
65.61102	0.4
67.05507	4.3
69.03403	0.7
69.07062	3.3
71.04980	0.7
79.05476	4.5
81.06645	0.7
81.07050	7.6
83.04996	2.4
83.08580	1.6
85.06507	1.6
86.09687	0.5
91.05483	6.8
93.06516	0.6
93.07041	7.9
94.07338	0.6
95.04953	1.3
95.08041	0.6
95.08606	10.6
97.06538	1.0
97.10139	0.6
98.23435	1.0
99.08058	0.7
105.06354	0.8
105.07021	13.0
107.04939	1.8
107.08591	17.4
109.06507	4.1
109.10164	6.7
111.08112	0.6
116.44994	0.5
117.06993	3.9
118.33858	0.5
119.04935	0.6
119.08579	17.0
120.08039	0.5
120.08852	0.6
121.06497	6.1
121.10145	10.8
123.08073	7.3
123.11654	1.8
125.05966	0.7
129.06912	1.2
130.07719	0.9
131.08572	7.0
133.06470	1.9
133.10123	24.2
134.10431	0.9
135.08046	2.9
135.11671	2.5
137.05977	0.6
137.08728	0.6
137.09618	7.1
141.06944	0.7
142.07782	1.1
143.08556	3.4
144.09326	1.1
145.06477	1.6
145.10121	24.7
147.08043	10.0
147.11673	4.8
149.02319	1.1
149.09625	5.2
149.13147	0.5
151.11159	0.9
155.08531	1.8
156.09372	0.5
157.10114	5.0
158.10846	1.4
159.08051	4.9
159.11685	10.6
161.09644	4.5
161.13275	2.6
163.03902	1.0
163.07506	1.5
163.11142	2.7
163.14767	1.0
165.09088	3.0
167.08601	0.5
167.10654	1.2
169.10062	1.6
170.10881	1.0
171.11691	3.6
172.12485	4.6
173.09575	4.7
173.13245	5.1
175.11182	2.8
175.14815	2.0
177.12778	1.2
177.16357	1.4
182.10907	1.4
183.11688	1.2
185.13240	4.3
187.11168	1.6
187.14807	29.2
188.15157	1.7
189.12715	2.2
189.16396	2.9
191.10597	0.9
191.14323	0.8
195.11713	0.8
197.13269	4.1
199.14822	2.2
199.98634	0.5
200.11887	0.6
201.12671	1.1
201.16399	1.7
203.14339	4.8
205.15869	3.5
207.11856	0.5
211.09583	1.2
211.14783	1.2
213.12762	3.4
213.16331	2.6
215.14311	52.1
216.14699	2.8
217.15846	9.8
225.12900	0.5
225.16451	0.9
227.14201	0.7
229.15851	2.4
233.15358	51.2
234.15691	3.1
235.14853	0.7
235.16943	1.6
237.16385	0.8
243.17451	0.5
247.16776	0.6
249.16360	0.7
251.16408	14.0
252.16748	0.6
261.18503	1.5
263.74268	0.5
267.17331	0.8
273.18427	0.7
281.18930	0.6
285.18518	0.6
295.24045	1.1
311.23740	0.9
319.24210	2.0
329.24622	1.1
337.25308	5.1
343.26300	1.5
355.26334	14.4
356.26617	1.1
373.27362	100.0
374.27689	10.6
391.12558	0.7
391.28418	32.0
392.28754	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	391.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.0
55.05508	38.3
57.03433	35.9
64.48624	3.4
66.95226	3.9
67.05496	39.4
68.53650	3.8
69.07066	10.7
69.51545	17.6
69.76192	3.4
69.78403	3.8
71.05000	5.0
77.11877	3.9
79.05475	19.1
81.07034	34.0
83.08619	22.4
85.06536	36.1
91.05476	20.2
92.07473	4.4
93.07037	22.9
95.04959	56.2
95.08599	28.4
97.06548	7.9
97.10162	6.2
98.23448	7.7
98.98472	10.1
105.07038	17.3
107.04951	9.8
107.08584	23.8
109.06525	55.4
109.10162	12.2
111.54486	4.2
113.05997	100.0
117.07036	9.6
119.08597	16.6
121.10156	14.6
123.11670	6.1
129.07048	4.4
131.08540	16.2
133.10147	12.4
135.08049	43.7
135.11705	10.3
143.08566	11.6
145.10121	16.1
149.02359	8.1
149.13315	5.4
155.01038	11.1
157.10152	9.7
157.11610	3.5
159.11670	13.5
161.09595	7.5
171.11673	6.7
173.13316	5.9
185.13290	5.7
187.14856	8.0
217.15892	16.1
237.16541	5.2
239.17894	5.7
273.18518	36.5
274.18546	4.3
291.19516	92.5
292.19818	7.9
295.24112	10.2
388.28241	4.3
391.18774	12.0
391.28323	6.1
391.33316	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	391.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.8
55.01874	25.6
55.05294	1.9
55.05513	21.7
57.03436	15.2
57.07071	5.4
65.03952	2.4
67.05502	37.8
69.07068	30.5
69.43714	8.3
71.04984	2.6
71.08620	4.2
77.03896	1.8
79.05488	28.2
81.03426	22.5
81.06571	2.8
81.07056	57.4
83.04973	6.1
83.08614	17.4
85.06516	2.8
91.05476	28.1
93.07036	30.1
95.01320	3.6
95.04961	13.6
95.08610	30.6
97.06532	39.3
97.10177	11.9
98.98456	31.2
99.04462	2.0
99.08100	4.8
100.81551	1.8
105.07033	43.6
107.04954	17.3
107.08598	15.6
109.06488	4.8
109.10138	9.8
111.08075	5.4
111.11734	2.7
113.05969	1.8
117.07020	11.4
119.08580	22.3
121.06500	5.0
121.10162	14.3
123.08052	12.0
123.11680	3.4
125.09618	4.3
129.07013	2.3
131.08580	14.6
133.06496	3.2
133.10120	31.1
135.08060	3.5
135.11716	13.5
137.09619	3.2
137.13254	1.8
139.07539	2.5
141.06943	3.4
143.08571	4.3
145.06441	5.2
145.10098	14.5
147.08066	2.4
147.11725	10.1
149.02335	7.2
149.09612	5.0
149.13258	6.8
151.14778	1.9
155.01045	37.4
155.08553	4.1
157.10120	5.6
159.11716	10.6
161.13263	3.2
163.11165	5.2
169.10165	5.5
171.11749	4.3
173.13293	4.4
175.14880	2.7
177.12753	7.1
179.14340	8.5
187.11172	8.0
187.14807	4.2
195.13852	6.1
197.13293	2.6
205.12230	3.2
219.20998	3.4
219.37346	1.9
223.13286	5.3
237.22125	11.5
239.17897	2.1
241.14380	10.9
247.20602	3.5
257.19092	8.3
275.20065	100.0
276.20432	6.1
293.21136	12.5
345.27820	4.1
355.26193	5.8
373.27505	9.2
391.23721	2.6
391.28574	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	391.2845
Annotation	3alpha,12alpha-Dihydroxy-5beta-chol-6-enoate
Peak:m/z	Relative Intensity
53.03947	3.4
55.01884	8.8
55.05511	100.0
57.03439	36.1
63.33139	1.4
65.03950	3.5
67.05505	45.4
69.03416	2.9
69.07083	5.9
69.50822	4.5
71.04999	4.1
71.08617	1.7
79.05490	20.3
81.07050	18.9
83.04990	2.3
83.08619	38.7
85.06543	29.8
91.05476	18.5
93.07043	18.9
95.04969	60.2
95.08599	13.2
96.05254	1.7
97.06541	4.4
98.98480	3.2
99.04536	1.6
105.07047	16.0
107.04959	10.1
107.08591	15.4
109.06516	63.2
109.10162	3.8
111.08128	2.5
113.06004	98.9
114.06376	1.6
117.07033	9.8
119.08599	9.2
121.06532	4.2
121.10175	5.4
123.08076	3.9
129.07008	7.0
131.08537	15.4
133.06464	2.3
133.10158	6.5
135.08055	50.9
135.11710	8.4
137.09589	1.9
141.06950	1.9
143.08582	6.3
145.10138	9.2
147.08084	5.4
147.11700	3.3
149.02350	3.9
149.09631	6.6
149.13275	4.4
155.01022	3.6
157.10149	6.3
159.08101	2.0
159.11697	6.9
161.09630	7.7
161.13309	2.0
163.11171	3.1
171.11687	4.7
173.13275	3.1
175.11182	2.4
177.12775	3.4
183.11684	1.8
195.13878	2.0
199.14810	3.1
201.12723	2.9
217.15872	15.5
227.17839	2.7
245.18962	3.7
255.17374	3.7
273.18491	42.9
274.19019	1.9
291.19540	93.6
292.19864	6.1
309.17929	4.2
373.27216	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	392.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
54.82015	0.7
55.01885	0.8
57.03442	0.8
59.17076	0.7
59.29201	0.6
69.03419	1.7
71.04945	0.9
74.22318	0.7
77.03933	1.1
79.05502	5.5
81.03415	0.7
81.07053	1.0
85.02898	5.2
89.43804	0.6
91.05475	0.9
95.04953	1.8
97.02892	1.7
98.23420	1.6
106.06508	1.6
107.04947	7.8
107.07325	1.7
108.05303	2.3
109.02888	0.8
111.82616	0.6
124.40350	0.6
135.04420	47.3
135.11781	0.7
136.04813	1.0
137.06024	0.6
138.06297	0.7
145.04947	0.8
145.91121	0.7
149.02391	1.1
149.05988	1.3
151.03899	1.2
163.03905	100.0
164.04269	3.5
166.05806	0.8
167.05721	1.3
167.07034	13.8
181.04967	2.0
195.06529	76.6
196.05215	0.8
196.06927	2.3
199.09619	0.9
213.07588	12.3
213.10893	0.6
237.09952	1.5
253.33438	0.7
289.09937	0.7
312.28690	0.6
326.17142	0.6
356.02939	0.6
392.20972	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	392.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84488	0.8
55.01857	1.1
55.05508	1.1
57.03430	0.9
58.44062	0.6
61.02918	1.6
67.05496	0.8
69.03412	2.8
70.06545	0.9
71.16004	0.7
79.05508	4.5
80.05829	0.6
81.03398	1.4
81.07072	3.3
82.07373	1.9
84.04440	0.6
85.02914	9.6
91.05457	1.4
93.07009	1.1
95.04964	1.6
97.02879	1.6
99.08746	0.7
103.05494	4.3
105.04562	0.7
105.07039	3.8
107.04954	33.9
109.02871	0.9
109.06497	4.2
110.06850	2.7
115.05459	1.8
117.06985	1.5
121.06480	1.0
123.04419	1.7
123.08060	1.0
124.05213	1.0
127.03899	2.0
131.04938	1.6
133.06487	1.9
134.06874	0.9
135.08063	12.7
137.06006	1.5
138.06349	0.7
145.04979	0.8
145.06520	0.9
147.04413	1.5
149.02406	0.7
149.05971	4.3
151.03900	3.9
151.07515	2.4
152.04688	0.8
152.07887	2.0
154.06233	1.1
155.07080	0.7
163.07550	30.1
164.07901	1.4
165.05507	1.3
167.07034	77.1
168.07382	3.2
169.08583	1.2
170.08893	1.1
172.61369	0.7
177.05508	3.9
177.09094	0.9
179.07053	4.4
180.07417	6.9
181.08594	2.2
195.10158	31.9
196.10445	1.1
197.08147	1.2
198.08426	2.2
211.09657	1.2
212.10042	1.2
213.11218	100.0
214.11575	3.9
225.07561	0.9
226.38892	1.0
229.10777	2.5
230.11017	4.1
273.11334	1.0
294.25482	0.7
301.10614	0.8
313.68466	0.7
347.14911	0.9
349.82513	0.7
375.10825	0.8
393.11880	1.2
393.20898	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	392.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	39.8
69.42223	3.4
70.06583	2.1
71.08624	2.2
71.95264	2.0
72.96092	1.3
80.94838	1.3
84.96058	1.2
91.82693	0.9
97.96839	1.9
98.23415	1.9
98.97588	1.2
105.00155	2.1
108.25600	0.9
110.97620	3.7
115.00704	1.9
123.01244	1.6
127.00699	1.0
128.98561	2.4
132.10156	1.2
137.02757	1.8
139.00687	1.8
141.02264	2.3
146.99696	1.0
151.00670	1.7
151.04350	1.1
153.02225	2.2
155.03801	2.4
157.01746	1.2
159.03320	1.5
167.03842	2.7
169.01733	1.1
171.03265	5.7
173.04892	1.6
178.84433	0.9
179.03793	1.3
179.07367	1.2
181.05350	2.4
185.04858	6.6
189.04385	2.4
191.05762	1.0
192.59593	1.0
193.05417	2.0
195.06947	1.9
197.04898	2.0
197.08554	1.1
199.06419	12.9
203.05910	4.8
207.07016	2.0
211.06454	4.6
213.07951	10.2
217.05637	2.0
217.07437	9.8
221.08583	1.9
225.07953	7.3
227.09506	3.0
229.07428	2.5
231.07034	1.4
231.09018	6.3
237.07947	5.0
239.09586	4.4
241.11307	1.5
243.09174	2.8
245.10643	2.2
249.08041	4.0
251.09528	9.5
255.09019	30.0
256.09546	1.2
257.10553	2.2
267.09045	26.7
268.09439	1.6
269.10608	43.5
270.11148	2.2
273.10098	14.1
278.10693	1.6
285.10095	32.4
285.29947	1.3
287.11673	12.0
290.10474	1.5
292.12299	3.4
303.11188	2.9
308.11646	2.2
309.17365	1.2
315.16476	1.4
329.32309	5.0
330.32617	1.8
333.17380	15.2
351.18390	52.9
352.18777	3.3
357.20059	1.6
369.19476	100.0
370.19788	7.4
374.20099	3.1
387.20514	6.0
391.36002	14.6
392.20853	7.7
392.25229	23.8
392.36194	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	392.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77929	0.9
56.96286	2.1
56.96565	41.8
60.40411	0.8
69.07076	0.9
70.06583	1.4
71.45816	1.5
71.95279	1.4
86.09685	2.8
97.30654	0.8
97.96814	2.1
104.95338	0.9
105.00185	1.0
110.97604	2.5
115.00685	1.8
115.97884	1.0
119.66595	1.0
123.01244	2.0
128.98599	2.9
137.02730	1.9
139.00674	1.7
141.02298	1.3
143.03813	0.9
149.02441	1.0
151.04213	1.4
153.02243	1.8
155.03749	2.4
157.01740	1.3
159.03349	1.2
167.03761	2.2
171.03249	3.2
173.04929	1.5
181.05345	2.8
181.06886	1.0
183.03246	0.9
183.06854	1.9
185.04903	4.5
185.08408	1.1
187.06421	1.4
189.04340	1.8
193.05414	1.3
195.06932	2.7
199.06398	10.8
201.07979	2.0
203.05844	5.3
211.06386	5.8
213.07974	23.7
217.07463	11.5
219.09015	1.6
219.17432	1.1
222.08075	1.2
225.08044	4.6
227.09586	3.3
229.07469	30.6
231.06853	2.4
231.09010	19.5
232.09384	1.1
236.09564	1.8
237.08015	4.2
239.09654	5.4
241.11134	2.8
243.09091	8.6
245.10641	1.6
247.08551	17.5
247.17146	1.0
249.08063	1.9
251.09489	9.9
252.09148	5.0
254.10562	1.4
255.09045	20.4
256.09421	1.1
257.10641	1.7
259.12219	1.0
261.10028	3.1
267.06451	1.8
267.09039	18.6
269.10605	58.2
270.10709	2.9
273.10080	9.9
278.10629	2.3
285.10126	22.0
286.10455	1.4
287.11633	17.8
290.10748	1.8
292.12082	5.9
303.11194	1.5
308.11618	2.6
315.16168	2.3
329.32269	1.6
333.17419	10.1
351.18396	37.8
352.18701	2.8
357.19989	2.2
369.19479	100.0
370.19864	6.3
374.19833	3.1
374.30426	1.4
387.20563	9.2
388.20999	1.3
391.36050	5.6
392.20465	15.0
392.24887	7.6
392.36096	2.2
410.22421	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50404	6.4
65.93987	6.1
68.22565	6.3
70.06567	6.4
71.41579	6.4
85.02905	14.8
103.49303	7.2
109.06510	8.6
119.04955	18.8
133.06480	10.6
137.05983	100.0
146.06393	7.1
146.29376	7.4
147.04414	53.0
151.07515	14.4
170.08922	6.7
179.07025	76.5
186.46346	7.5
196.06886	9.1
197.08073	40.9
215.09157	31.1
246.34740	6.9
281.40756	6.9
313.78391	7.4
393.05438	75.8
393.12817	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0586
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12020	6.7
56.96565	7.1
63.16922	6.7
69.03446	11.1
70.47346	7.4
70.82803	8.8
79.05502	6.8
81.07052	16.1
82.74982	8.0
82.75538	7.4
85.02890	26.0
91.05460	13.3
97.02888	16.7
101.00883	8.6
109.06499	28.4
119.04946	15.1
133.06483	14.1
137.05978	100.0
141.56728	8.1
147.04427	49.9
147.53436	6.7
151.03925	12.8
151.07507	20.0
155.01842	9.0
156.32356	8.1
163.03996	9.7
179.05534	11.4
179.07005	91.1
195.06502	10.4
197.08064	51.7
215.09090	38.7
245.05112	17.0
299.89902	8.5
334.59451	7.6
381.99594	8.0
393.05695	61.0
393.13449	59.6
394.05685	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	393.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	19.1
58.00785	1.7
59.69875	1.8
63.82167	1.8
67.05499	1.8
70.05509	3.8
78.54044	1.8
80.94857	2.2
81.07059	2.7
82.94579	5.3
86.71536	2.0
87.26479	2.1
91.05511	2.1
95.08577	2.3
97.96858	5.1
110.97601	7.0
115.97875	2.9
116.69372	1.7
121.10155	1.7
128.98643	8.1
129.57460	2.1
146.99707	6.3
194.02478	1.8
263.09583	2.0
315.16272	50.7
316.16791	4.0
321.13733	2.2
331.15973	4.0
333.17355	100.0
334.17642	14.1
351.18530	15.0
352.18765	3.6
355.18671	3.0
356.18988	11.0
357.19983	5.4
374.20282	4.7
375.12228	2.9
376.26019	4.9
393.26276	63.3
394.26755	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	1.0
66.02192	0.3
84.91170	0.3
95.02961	0.3
104.12819	0.2
105.30473	0.2
149.06021	0.3
211.50385	0.3
302.11789	0.2
309.20056	0.4
311.15988	0.4
375.24841	0.9
393.26093	100.0
394.26462	7.1
394.31354	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.4
56.96560	1.3
65.29889	0.8
67.05522	1.3
71.42722	0.9
81.07042	2.4
83.18896	0.7
91.05484	1.4
95.08587	1.1
109.10127	1.6
235.88379	0.9
317.17938	1.4
335.18924	4.3
357.17242	1.0
358.20432	0.9
375.13715	9.0
376.25983	1.3
380.21915	0.8
393.15152	1.9
393.26089	100.0
394.26605	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	393.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.9
64.56155	0.8
67.05508	1.3
69.07063	0.9
69.38118	0.8
71.44994	0.7
79.05505	1.0
81.07049	1.3
84.58092	0.7
87.29496	0.8
91.05431	0.9
95.08570	1.6
104.46755	0.7
119.08555	1.5
129.06885	0.8
133.48268	0.7
149.09612	0.9
223.89471	0.8
228.68605	0.8
298.15036	0.7
333.17456	3.5
351.18246	1.0
376.25900	2.5
393.26074	100.0
394.26309	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	393.279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.8
53.03938	3.4
55.01865	3.3
55.05296	1.8
55.05515	18.9
57.03425	2.7
57.07074	11.9
59.05008	3.5
65.03934	4.7
67.05507	29.3
68.00061	1.6
68.77512	1.3
69.03424	3.2
69.07067	19.5
69.44485	7.1
71.04978	3.6
71.08647	7.0
75.74524	1.3
77.03928	4.7
79.05042	2.3
79.05494	42.2
80.05824	1.3
81.07056	61.8
82.25451	1.5
83.04980	8.3
83.08607	9.6
85.06551	4.9
85.10180	1.8
89.06036	2.1
90.29580	1.5
91.05479	62.4
92.62730	1.3
93.07043	84.0
94.07372	3.2
95.04968	61.2
95.08606	56.8
96.05290	2.4
97.06529	11.4
97.10148	3.5
98.23425	3.1
98.98454	5.4
103.05450	4.1
105.04507	6.7
105.07030	100.0
106.07362	4.7
107.04974	2.7
107.08593	49.8
109.06519	16.5
109.10153	27.1
110.14830	1.8
111.08083	2.1
113.65093	1.6
115.05452	5.3
116.06295	2.1
117.07014	23.0
118.62824	1.7
119.04958	1.9
119.06105	2.7
119.08578	96.6
120.08881	4.2
121.06509	22.8
121.09275	2.6
121.10141	44.5
123.08065	9.7
123.11707	13.0
125.09618	1.7
128.06229	10.7
129.07002	17.3
130.07813	9.2
131.08569	44.2
133.06494	2.1
133.07603	1.4
133.10129	50.2
134.10542	2.0
135.08070	5.4
135.11694	21.6
136.19539	1.6
137.09642	2.8
139.11188	2.1
141.07016	7.8
142.07788	23.1
143.08560	36.0
144.09377	8.4
145.06479	2.6
145.10123	65.5
146.07254	2.8
146.10512	3.7
147.08070	4.0
147.11668	22.4
149.09589	4.4
149.13280	3.7
153.06931	2.4
154.07761	5.1
155.01039	11.1
155.06044	1.9
155.08546	14.1
156.09337	11.2
157.10129	53.4
158.10919	7.3
159.08051	6.3
159.10367	2.1
159.11697	43.4
160.12209	1.7
161.09608	19.0
161.13249	9.4
163.11179	4.1
163.14764	1.8
165.07047	4.7
166.07832	1.4
167.08568	5.3
168.09344	4.8
169.02580	1.6
169.10120	24.7
170.10782	5.8
171.08084	2.2
171.11690	24.0
172.08882	2.0
172.12337	4.7
173.09630	5.0
173.13258	17.8
175.11171	10.9
175.14845	17.0
177.12590	2.0
179.08536	5.0
180.09351	4.7
181.10124	8.8
182.10844	6.7
183.11702	17.7
184.12460	3.8
185.09668	1.8
185.13235	14.4
187.11185	8.2
187.14772	11.3
189.12662	1.6
193.10143	8.6
193.15997	1.7
194.10867	5.7
195.11647	10.8
196.12407	4.1
197.13245	14.4
198.13908	2.8
199.11255	2.5
199.14774	9.2
201.12790	3.4
201.16379	7.6
205.10167	2.4
206.10832	2.0
207.11650	7.4
208.12608	1.9
209.13243	13.4
210.13846	2.0
211.14815	8.7
213.12827	1.9
213.16405	4.9
215.14206	1.9
217.15877	2.5
219.11586	2.2
219.17447	2.6
220.12448	4.3
221.13248	5.3
223.14746	9.4
225.16298	4.6
227.14333	2.6
233.13152	1.8
235.14801	5.5
237.16348	5.3
239.14333	2.1
240.14902	1.8
241.15900	1.9
241.19437	2.4
249.16426	2.2
251.17909	3.2
253.15807	4.9
255.17358	1.7
263.17987	1.8
265.19421	4.0
279.20776	1.5
281.19092	2.5
283.20569	1.6
284.21237	2.0
295.20432	2.0
304.26416	3.1
375.26657	5.5
376.26025	3.0
393.27808	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	393.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16758	3.5
55.01852	6.0
55.05510	20.0
57.03441	31.1
57.07071	17.4
57.09631	4.1
67.05505	45.6
69.03414	6.5
69.07086	9.6
71.08636	12.4
79.05498	22.9
81.07060	30.5
83.08607	10.9
85.06543	33.0
85.10185	7.8
89.06029	76.6
91.05465	21.3
93.07045	19.5
95.04962	54.3
95.08592	26.3
97.06550	5.6
97.10158	4.3
98.98484	10.2
105.07018	10.7
107.04970	5.8
107.07069	3.9
107.08605	14.4
109.06515	48.5
109.10135	8.1
113.06002	88.5
117.07014	14.2
119.08573	11.7
121.10194	9.1
123.08076	5.5
123.11720	4.7
128.06255	3.5
129.06969	5.1
131.08580	14.8
133.08598	25.5
133.10123	10.6
135.08051	38.5
135.11714	6.9
143.08597	6.6
145.10115	9.7
147.11639	4.8
149.09665	6.3
151.09673	4.1
155.01007	25.9
157.10167	8.0
159.11743	4.8
161.09561	6.7
169.10141	4.7
177.11243	8.5
177.12729	8.1
183.11768	5.6
191.18971	3.6
195.12270	100.0
217.15889	17.4
255.17389	5.8
273.18423	32.7
291.19516	75.0
291.22598	5.5
375.28854	8.4
376.25876	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	394.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56713	1.1
55.05510	6.9
57.03413	1.1
65.73829	1.0
67.05487	2.0
69.03423	1.6
69.07068	1.6
69.60606	1.9
69.60979	2.0
71.01351	3.1
79.05503	4.6
80.98032	1.2
81.03425	1.1
81.07057	26.1
81.07507	2.2
83.04969	3.0
84.60683	1.1
85.02897	4.9
91.05484	5.6
93.07048	4.5
95.04972	3.9
95.08614	5.8
97.02892	5.0
97.46819	1.0
99.04494	1.4
105.07024	10.5
107.04965	1.7
107.08603	1.5
108.05783	2.0
108.43687	1.1
109.06519	56.6
110.06872	1.2
111.08109	1.6
115.05473	1.2
120.08100	2.3
121.06489	4.2
122.43241	1.2
123.08064	10.6
127.03937	2.1
133.06502	16.1
135.08032	1.5
137.05965	13.0
141.05527	1.2
149.06070	1.3
150.09106	1.4
151.07542	40.2
151.09952	1.8
153.09174	1.1
155.06985	6.2
161.06006	7.9
167.07048	1.2
169.08603	1.7
179.07033	100.0
180.07384	4.2
195.06578	1.3
197.08090	48.0
197.11757	2.6
198.08443	1.9
215.09154	83.2
216.09459	2.2
242.49281	1.1
274.14282	1.1
280.08185	2.8
332.18475	2.3
341.12381	3.3
394.14960	6.3
394.19412	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	394.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.05512	6.8
59.32062	0.8
61.02922	1.0
67.05486	1.2
69.03429	2.0
71.01340	2.0
79.05485	3.9
81.03407	1.3
81.07059	21.4
83.04956	2.2
85.02926	5.2
91.05472	2.5
93.07042	3.3
95.08621	6.0
97.02890	3.6
105.07038	8.9
108.05729	1.3
109.06519	52.7
110.06866	1.2
121.06517	2.8
123.08068	8.5
127.03913	1.7
133.06494	13.0
135.08028	1.2
137.05995	13.2
143.45647	0.9
149.05968	2.0
151.07545	33.6
152.07867	1.3
155.07021	2.1
158.22594	0.9
161.05994	7.4
167.07013	1.3
179.07030	100.0
180.07367	3.2
197.08095	39.1
198.08376	1.6
215.09149	70.4
216.09529	3.1
341.12201	3.4
359.13397	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42556	0.9
55.01867	1.1
57.03430	1.2
59.22631	0.8
60.92058	0.9
61.02930	1.4
69.03426	2.5
70.73286	1.2
79.05515	1.1
81.03431	1.9
81.07063	2.6
85.02911	11.0
91.05494	8.8
93.50244	0.8
94.04144	1.1
95.05039	1.2
97.02901	4.1
98.97575	1.9
105.07040	1.0
109.06515	3.6
111.04485	0.9
116.98684	0.9
119.04945	24.2
122.03647	1.4
122.95857	0.8
127.03937	1.6
133.06570	1.2
134.74182	0.8
137.05981	100.0
138.06380	2.4
144.55544	1.0
145.04919	2.0
147.04408	48.5
151.07539	6.3
155.07071	1.3
161.05975	1.4
163.05974	0.8
165.05547	1.8
166.07292	1.9
179.07034	60.0
180.07379	1.3
197.08101	24.2
215.09129	7.6
335.10361	1.3
394.14032	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	394.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.0
56.05030	2.4
67.05495	2.5
68.05011	2.7
69.07065	2.8
70.06586	2.9
70.27645	1.1
71.05008	1.4
72.08155	1.2
76.48444	1.0
79.05479	4.6
80.05014	1.1
81.07050	5.5
82.06567	4.2
83.04996	1.8
84.08150	3.3
85.02921	0.8
86.09692	1.6
91.05481	3.0
93.07043	6.4
94.06549	2.0
95.04965	1.9
95.07360	1.3
95.08585	4.2
96.08135	3.0
105.07018	2.4
106.06557	4.7
107.07340	17.7
107.08554	4.3
108.08134	13.4
109.06521	1.5
110.09683	2.1
119.08557	1.6
120.08130	1.9
121.08904	1.2
122.09652	4.9
123.10448	2.2
124.07587	2.0
124.11227	7.6
125.00021	3.6
126.12842	1.1
128.10783	2.1
134.09653	22.0
135.10434	100.0
136.11275	7.2
137.05995	1.8
137.09583	1.0
137.12012	1.1
142.12311	1.8
147.04437	4.9
148.11217	1.4
149.12048	1.3
150.12784	6.5
151.03876	1.1
151.13553	2.6
152.10695	4.0
152.14334	14.2
154.12314	1.8
165.05486	2.6
167.09431	2.4
177.05486	1.2
178.15906	65.4
179.07050	4.4
179.10608	1.6
179.16258	3.2
180.17459	42.5
181.17889	1.5
194.15355	1.7
196.16956	67.6
197.08139	4.7
197.11760	2.6
197.17345	2.4
198.18518	9.9
215.12021	1.1
222.18513	18.1
223.18976	1.2
240.19582	54.3
241.20013	2.5
276.13565	2.5
296.12704	1.2
350.17249	65.3
351.17636	3.5
367.35980	1.0
375.66956	0.8
394.19861	75.2
395.14496	1.2
395.20108	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	394.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72900	1.8
52.18723	1.5
53.03951	1.8
55.05504	10.5
57.03429	5.1
61.02927	2.2
67.05508	14.2
67.21006	1.7
69.03439	7.2
69.07069	13.9
69.20805	9.6
70.06590	2.0
71.04994	5.1
72.61480	1.6
73.02943	1.5
79.05500	11.1
81.03425	3.5
81.07050	46.7
83.05006	4.0
83.08631	11.4
85.02901	25.8
85.06535	8.8
91.05479	11.3
93.07043	14.1
95.04972	2.9
95.08601	50.3
96.45135	1.6
97.02888	6.1
97.06514	11.9
97.10159	7.1
98.06899	1.6
98.22655	3.6
99.08102	6.5
105.07028	20.0
107.08582	8.4
109.02874	2.9
109.06512	3.9
109.10134	4.6
113.09634	3.8
115.07559	1.9
119.08578	26.4
119.63482	1.6
120.08912	2.2
121.10159	8.6
123.08050	5.8
125.09650	1.9
127.03907	3.6
133.10115	17.4
135.11676	13.6
137.09607	2.4
137.13245	12.6
145.04936	4.9
161.13243	72.6
162.13605	3.2
164.07100	3.2
179.14294	100.0
180.14621	4.4
197.15359	44.4
197.17215	2.2
198.15695	3.7
203.71069	1.8
205.54266	1.8
206.12524	1.6
214.01770	1.6
215.16486	8.6
252.96579	2.3
259.09641	2.3
335.15952	6.1
384.30807	1.8
394.14075	2.5
394.19135	5.0
394.26764	5.6
394.31354	2.6
395.16977	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	395.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42205	0.5
58.30925	0.4
69.39719	1.5
81.07050	0.7
81.51510	0.4
95.04972	0.7
109.06470	0.5
111.08082	3.3
127.03942	0.6
135.08093	0.4
137.05928	0.6
155.07027	1.8
185.04216	4.5
186.04950	0.4
199.09642	1.7
217.04709	1.1
232.07048	14.2
232.09288	0.8
233.07829	8.0
234.08102	0.4
333.17761	0.5
354.25775	0.4
364.11328	1.6
365.12051	1.0
395.13120	100.0
396.13403	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	395.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97026	0.8
55.05500	1.3
59.46901	0.8
63.87047	0.8
65.03927	1.1
66.60604	0.7
67.05498	1.0
71.04991	1.0
71.45644	0.9
74.77459	0.8
79.05486	1.6
81.07045	3.2
82.04193	0.9
85.02881	2.6
93.07034	1.4
95.04980	4.0
95.08598	1.6
97.02864	2.6
99.04477	1.6
105.07012	2.1
107.04926	1.3
109.02914	1.0
109.06488	1.3
111.08089	5.1
123.04456	1.2
123.08041	1.8
127.03915	37.5
133.06514	1.3
151.03839	2.0
151.07570	1.7
153.05478	1.6
165.14076	0.9
179.07010	6.8
181.04950	19.8
181.06410	1.6
192.71130	0.9
197.08089	35.5
198.08513	1.5
220.39050	0.8
246.90533	0.8
302.45676	0.9
343.73352	1.0
395.20395	100.0
396.20816	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	396.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.6
57.03432	1.5
61.02916	1.6
67.05505	3.3
69.03435	2.7
69.37981	4.5
69.38381	2.5
79.05495	8.2
81.03423	2.3
81.07055	9.8
83.04979	3.5
84.08163	3.3
85.02922	7.7
85.06521	2.4
91.05466	8.7
93.03397	1.5
93.07043	15.0
95.04991	2.4
95.08591	3.5
95.84415	1.3
97.25195	1.3
105.07034	7.3
106.24431	1.4
107.04956	1.6
107.08592	23.0
109.06511	21.6
109.10162	1.8
111.04480	1.6
111.08075	11.8
115.05453	2.5
117.07022	29.2
119.08584	4.5
120.08044	1.3
121.06486	12.5
123.08095	2.7
125.05983	1.5
127.03944	3.3
133.06493	6.4
135.08055	41.9
137.05965	2.1
137.09616	4.7
137.83215	1.4
139.07538	2.8
145.04880	1.5
145.05415	1.7
145.06479	13.8
151.07547	18.2
153.09094	4.8
153.10269	1.4
155.07051	8.8
163.04057	2.0
163.07547	36.6
169.08591	2.8
181.08615	27.2
199.09654	85.5
200.10030	1.9
215.09134	1.9
217.10716	100.0
218.11026	4.0
253.71431	1.5
396.12854	2.8
396.17322	2.2
397.11230	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96461	34.0
56.96554	100.0
65.29871	30.4
69.66086	96.6
72.08154	40.6
73.34715	32.4
81.07048	38.1
89.84231	35.6
118.05518	45.3
133.28371	39.6
335.63446	36.3
342.76041	41.9
379.21295	50.4
397.16327	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90968	7.6
55.05510	10.6
57.26276	6.6
67.05496	16.8
69.03429	7.6
79.05507	14.1
80.04996	11.2
81.07063	15.7
85.02896	10.4
86.09704	9.5
91.05476	18.9
93.07056	19.0
95.04900	9.8
95.08607	18.7
105.07061	13.0
107.08595	17.7
109.06512	11.0
109.10120	12.3
119.08595	8.7
120.04453	73.6
121.06517	8.4
125.90064	8.1
130.79768	7.3
133.10147	8.7
135.11670	10.4
137.05988	16.7
145.06573	9.3
145.10172	10.4
148.07558	30.6
150.22476	7.1
165.05461	9.1
182.76576	8.4
201.12762	7.7
229.07581	15.3
273.11133	7.7
277.42151	8.1
295.16556	28.9
323.19760	11.0
365.20691	44.9
395.25006	8.6
397.19263	100.0
397.23245	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	4.2
63.36441	3.2
67.05494	8.0
69.03447	3.4
69.07082	6.9
79.05500	4.0
81.07058	5.9
91.05461	5.6
93.07062	6.0
95.08565	4.9
98.22636	8.7
105.07049	7.2
107.08594	4.2
108.73178	3.3
119.08543	5.2
120.04465	20.1
123.08170	3.5
135.08031	4.3
137.06047	6.0
138.89069	3.7
148.07632	3.8
158.24852	3.6
195.09889	3.8
213.08182	3.4
217.16014	3.3
229.19168	3.9
229.79083	3.6
295.16415	8.3
304.11945	3.5
316.22330	3.2
323.19196	3.9
365.20682	11.6
397.19171	100.0
398.19763	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	397.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.1
59.05023	0.9
66.39249	0.9
67.05503	4.5
69.07067	100.0
69.25726	0.8
69.31944	4.9
70.07408	2.1
71.04983	2.8
71.08623	1.7
79.05486	2.5
79.71455	0.9
81.07068	10.4
83.04947	1.4
83.08603	1.1
85.06533	1.6
91.05476	9.1
92.05814	1.1
93.07052	2.4
95.08595	6.9
97.06470	1.1
98.22676	1.9
99.98979	0.9
101.09656	90.4
102.10021	1.6
105.07021	3.7
106.06543	1.4
107.08606	2.4
108.08102	1.1
109.06505	1.8
111.04418	0.9
112.75086	1.0
119.08600	2.8
121.10160	2.0
123.08090	1.3
123.11720	1.2
131.08533	1.1
133.10204	1.2
135.11702	2.6
137.13235	1.2
145.71469	0.8
147.11668	2.6
165.12759	3.4
166.13037	1.3
181.12173	1.2
183.13849	3.2
197.15312	3.2
201.14856	1.3
234.88741	0.9
239.09038	1.2
241.24654	0.9
242.03082	1.0
279.19431	1.4
319.26279	2.4
329.24704	1.5
347.25778	14.7
377.17047	1.0
379.28397	6.6
397.18359	14.7
397.34741	12.4
398.18610	1.2
398.35904	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75945	0.8
55.05521	4.3
58.07433	0.9
58.87557	0.8
59.04991	1.0
67.05502	13.1
69.07068	100.0
69.20811	2.2
69.21204	2.3
70.07407	2.2
71.04996	7.5
71.08636	3.5
73.81339	0.8
79.03395	1.0
79.05487	5.1
81.07055	23.5
81.07507	1.7
83.04989	1.8
83.08623	1.9
85.06549	3.3
91.05479	6.8
93.07056	4.4
95.08610	17.1
97.06528	1.2
97.10201	0.9
99.08112	1.6
101.09654	87.6
102.09985	2.4
105.07026	5.3
107.08624	5.1
109.06525	2.1
109.10140	1.9
111.04460	2.2
119.08568	5.9
121.10139	3.4
123.08066	1.5
123.11706	2.1
125.05974	1.0
131.08568	1.1
133.10030	0.9
135.08089	1.1
135.11668	5.9
137.13263	2.7
145.10115	1.9
147.11694	7.3
149.09621	1.4
161.09563	1.1
165.12784	5.5
175.11241	1.3
181.12241	5.1
183.13785	8.3
193.12227	1.0
197.15364	8.1
201.14845	3.6
263.19907	1.0
279.19595	2.8
301.25275	1.2
303.26996	1.3
307.37503	0.9
319.26239	4.1
329.24741	4.3
347.25812	27.5
348.26318	1.6
379.28403	16.3
397.18231	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01872	2.1
56.97168	1.6
57.03437	39.3
61.02932	12.7
61.53399	1.8
67.05524	2.1
69.03432	41.1
69.07075	34.6
71.01357	3.8
71.04998	3.1
71.17403	1.7
71.17750	2.0
73.02921	78.0
74.03233	2.1
81.03422	7.5
81.07043	3.3
85.02907	100.0
85.06538	2.0
86.03238	2.1
87.04480	8.0
91.03974	4.3
91.05495	2.9
93.07081	3.0
95.08634	2.7
97.02897	67.5
99.04462	4.3
103.03921	3.1
109.02861	10.1
111.08095	3.9
115.03935	52.9
119.08602	3.5
123.08077	2.2
127.03931	25.2
132.06567	2.1
133.04980	28.0
135.08032	1.8
137.09587	2.9
145.04964	50.9
150.07649	5.2
163.06006	40.5
180.08681	1.9
183.10219	6.0
195.10167	3.0
201.11127	8.3
213.11264	7.1
223.06073	6.4
231.12341	4.2
241.07083	9.3
259.08081	10.8
275.80728	1.8
295.10275	8.0
300.23489	1.8
409.97717	2.0
410.31058	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	399.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73940	0.3
56.96563	3.5
62.48820	0.3
69.03430	0.8
69.39354	1.4
69.39714	0.7
69.94730	0.3
71.05013	0.9
81.07071	0.4
85.02901	1.3
87.04479	0.6
89.06032	2.9
97.02888	1.1
98.97581	34.6
101.00872	0.6
114.78903	0.3
115.03938	0.7
116.98622	16.2
119.01978	0.5
127.03973	0.3
128.98608	0.4
130.93329	0.5
133.04951	0.6
134.99661	4.0
140.00182	0.4
143.01932	0.4
150.86751	0.3
154.93336	0.4
159.36171	0.4
161.02972	0.7
172.94305	1.8
190.95430	1.4
203.05316	1.0
213.02496	0.5
214.95456	1.4
219.01849	0.7
221.05029	0.7
232.96465	2.0
237.02782	0.7
237.07568	0.4
250.97647	1.0
256.96402	5.9
258.99850	0.7
274.97504	39.8
275.97900	1.3
277.00809	0.8
292.98553	19.9
293.98697	0.7
297.08221	0.6
297.99432	0.5
339.05469	0.8
339.09317	1.0
357.06714	0.7
369.10248	0.9
381.11536	3.3
399.12622	100.0
400.12885	5.8
400.18921	0.6
416.98663	1.1
423.46625	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.3
56.96571	6.7
69.03444	0.5
71.05004	0.6
81.07050	0.8
84.95994	0.3
85.02900	1.1
87.04479	0.4
97.02912	0.6
98.97588	68.4
99.97925	0.8
101.00891	0.5
110.97546	0.9
115.03902	0.4
116.98627	30.5
119.01948	0.9
122.07150	0.4
128.98621	0.8
130.93317	0.5
131.01915	0.7
134.98708	0.7
134.99672	8.4
137.05992	0.7
143.01913	0.4
146.99724	0.4
153.00775	0.4
161.01242	0.5
161.03012	0.5
163.03899	0.5
172.94341	3.6
173.03006	0.5
179.06958	0.5
185.04259	0.4
189.63054	0.4
190.95387	1.7
195.04961	0.7
208.96559	1.0
214.95409	2.9
219.01814	1.4
219.05029	1.0
221.05128	0.8
225.06131	0.7
229.87340	0.3
232.96454	5.3
237.02698	1.8
237.07463	0.8
237.13261	0.4
243.07220	0.7
244.04230	1.7
249.01541	0.5
250.97563	1.6
256.96451	11.3
256.99005	0.6
257.96744	0.5
258.99698	2.0
261.03152	0.5
274.97513	78.2
275.97885	1.9
276.98062	0.4
277.00845	1.9
283.00104	0.9
291.07288	0.4
292.98569	36.3
293.98959	1.4
297.08234	1.5
297.99072	0.9
298.97836	0.6
301.01086	1.2
316.99088	0.8
339.05667	0.6
339.09332	1.1
348.07034	1.0
350.22263	0.4
363.08902	0.4
369.10321	1.0
381.10788	1.5
394.44882	0.4
399.12643	100.0
400.13025	4.8
400.18829	0.5
416.98645	3.0
417.07245	0.4
417.12717	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	4.3
57.03439	10.5
66.74490	1.4
69.03423	5.3
70.77518	1.4
70.94473	1.9
71.04994	44.2
73.02911	4.4
73.06561	15.5
75.04476	4.0
75.53997	1.1
81.03454	1.8
83.04967	8.2
85.02905	100.0
87.04475	2.8
87.08100	1.7
97.02882	7.5
99.04484	1.6
101.06007	2.9
109.02887	2.7
111.04465	3.3
125.52691	1.2
127.03934	6.6
129.05482	24.5
131.87138	1.3
145.04962	9.9
147.06522	19.6
163.05983	7.0
183.10229	2.8
237.07277	1.8
237.13335	2.1
356.90558	1.4
395.86200	1.4
399.12469	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	399.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	13.5
59.05014	2.8
60.21527	2.1
60.68583	2.3
61.02924	5.0
62.12079	2.1
69.00841	2.5
69.03432	42.1
69.07069	13.2
69.95406	6.7
72.08173	2.7
73.02937	4.0
81.03435	5.6
85.02905	70.1
87.04467	18.1
87.08106	77.5
93.75606	2.1
95.37281	2.3
97.02892	41.9
98.23452	2.9
98.97554	3.7
109.02890	5.4
114.10283	12.2
115.03931	42.1
120.08130	4.0
127.03899	14.8
133.04973	43.0
138.28685	2.4
145.04968	18.2
161.05975	3.3
163.06035	10.5
174.12811	3.5
219.06389	3.0
237.07422	7.7
238.14421	9.0
267.14444	3.2
292.99637	2.4
331.80707	2.6
399.12650	100.0
399.16837	4.0
400.13046	8.1
400.19952	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	400.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.7
55.01872	1.3
57.03432	22.1
59.05003	4.1
60.04519	1.7
61.02911	4.8
67.81497	1.0
69.03426	67.0
70.59101	2.3
71.04985	1.2
73.02939	6.9
75.04510	1.2
79.05505	1.8
81.03416	4.2
85.02901	88.6
87.04465	47.5
91.03957	3.4
91.05428	1.1
95.04981	1.6
95.67187	1.1
97.02893	61.0
98.03236	1.2
99.04449	3.5
107.04955	1.3
107.92815	1.4
109.02858	6.5
111.04387	1.8
115.03927	78.1
116.04298	1.7
117.05491	1.6
127.03920	19.2
133.04961	100.0
135.04439	1.5
145.04956	39.2
150.07622	10.1
151.03891	1.5
163.03886	4.7
163.06009	23.3
165.05554	2.5
169.04964	2.9
176.06953	1.4
211.15248	1.5
241.07018	3.1
251.14905	4.3
259.08090	4.9
277.09317	3.2
295.10272	3.0
389.10861	1.4
400.16519	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	400.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01867	2.4
55.49950	0.9
57.03436	30.4
59.04994	2.0
61.02923	13.7
63.24810	1.0
69.03426	37.4
70.06603	1.1
71.01351	2.9
71.05002	2.6
71.44954	0.9
72.08144	1.3
73.02918	58.0
79.05505	4.4
81.03411	6.0
81.07066	1.3
85.02904	100.0
86.03260	1.5
86.09718	1.0
87.04465	8.7
89.03926	1.0
91.03954	4.8
91.05499	1.4
93.07056	1.1
94.39123	1.1
95.04987	2.8
97.02264	2.5
97.02890	52.2
99.04465	4.6
105.07016	1.5
107.04957	9.3
109.02876	11.2
115.03933	42.6
117.07013	1.1
119.04968	1.2
121.06526	1.3
123.04452	2.9
124.05215	1.2
127.03912	30.7
129.07056	1.4
131.08612	2.5
133.03975	1.2
133.04973	20.8
133.10141	2.0
135.04434	3.2
139.03955	2.2
144.05690	1.6
145.04961	59.8
149.06038	1.0
150.07643	3.9
151.03946	2.1
156.05742	3.8
159.08061	2.4
163.03934	9.9
163.06018	35.9
165.05475	2.4
167.07022	19.1
169.04903	1.4
172.42343	1.2
173.05951	1.2
177.05534	2.4
179.07115	1.0
181.04968	2.0
181.08563	1.5
184.05200	1.1
187.07497	1.6
190.06340	1.2
190.64937	1.0
191.06987	1.1
195.06573	2.8
202.06200	2.1
204.07779	1.0
205.08621	3.9
208.05194	2.2
209.06125	1.0
209.08099	1.5
213.05243	1.0
217.08594	12.2
218.07336	1.2
219.08096	1.9
219.10120	1.9
223.06046	2.9
235.07538	1.0
238.10710	1.2
239.09167	2.8
241.07124	4.4
247.07484	1.5
247.09724	5.0
248.08275	1.7
251.14943	5.4
257.04541	1.0
259.08051	4.9
269.08105	3.4
271.09720	2.9
276.07910	2.0
279.10110	2.1
282.08731	1.9
291.10095	3.2
293.08109	1.7
295.10248	3.0
296.71396	1.0
298.11987	0.9
304.07458	1.1
307.09790	1.0
308.10410	1.7
310.08261	1.2
311.12662	1.1
315.08597	10.6
323.12790	2.2
330.10977	10.9
331.11649	3.1
343.11813	1.6
351.12152	6.7
356.12448	1.2
368.12488	1.7
383.14948	11.6
401.16138	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	400.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	13.3
55.05511	13.1
57.03429	6.3
63.20936	3.2
67.05503	41.9
69.03416	4.2
69.07070	14.6
70.25765	3.7
71.05009	3.3
79.05497	29.3
81.07056	47.0
83.04977	9.0
83.08617	5.7
84.61357	3.2
85.13470	3.1
86.16286	3.8
91.05490	42.8
91.46075	3.7
93.07043	24.0
95.04990	5.9
95.08612	9.6
97.06524	5.5
105.07021	36.9
107.04962	4.2
107.08604	31.4
109.06516	8.9
109.10168	49.1
111.08041	4.3
117.07047	6.5
119.08593	12.7
121.10165	7.8
123.11738	8.0
131.08557	7.8
133.10124	58.9
149.09683	5.9
151.11189	26.1
161.09563	6.3
169.12164	6.1
175.11302	3.7
177.09163	4.8
214.02855	3.4
229.77385	3.9
241.22319	3.6
253.14389	100.0
254.14664	7.3
263.20212	6.0
271.15335	18.5
273.18558	13.4
291.19574	15.7
310.41577	3.7
365.23221	48.2
383.15295	4.9
400.27493	6.5
400.34045	4.3
401.22919	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	30.0
57.03452	10.7
67.05493	58.2
69.07067	31.7
79.05485	29.1
81.03445	11.3
81.07063	58.8
83.05002	11.8
83.08632	13.8
84.51544	9.7
91.05459	52.9
93.07039	38.0
95.04962	18.4
95.08594	21.4
105.07023	41.3
107.08582	45.8
109.10145	31.8
112.26218	11.3
121.10193	12.0
123.08118	11.1
131.08556	16.5
132.86896	10.2
133.10139	52.9
137.05975	21.1
145.10133	11.7
147.08083	14.6
151.11209	29.9
159.11607	13.4
223.13322	15.6
238.84134	11.1
253.14407	32.8
271.15479	22.1
273.18381	21.2
277.17975	12.5
280.63934	11.4
291.19513	100.0
365.23251	79.1
381.46652	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	400.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	14.5
57.07075	8.5
58.06572	1.7
67.05498	8.2
69.07075	18.2
69.22250	11.5
70.06593	15.5
71.08630	13.3
79.05491	3.2
80.44326	1.7
81.07052	11.0
83.04971	2.0
83.08623	15.6
85.02896	4.5
85.06548	2.7
87.04475	4.3
88.07629	30.2
93.07034	9.2
95.08599	8.4
97.02927	3.6
97.06542	4.8
97.10172	3.5
98.37126	1.5
99.04460	1.6
99.08101	25.9
101.22811	1.9
102.09168	9.9
107.08597	4.7
109.10155	4.6
111.08114	3.8
121.10155	2.8
132.10193	2.0
133.10075	1.9
135.11697	1.9
149.13235	13.1
150.11295	2.1
153.12781	3.9
167.14343	5.6
171.13818	20.8
183.36150	1.7
205.10077	1.8
231.15895	23.3
271.15405	1.8
289.17316	2.6
319.26199	2.4
338.34198	29.0
347.25732	8.5
365.26816	10.0
396.76953	1.9
400.25766	5.8
400.37860	100.0
401.26932	4.6
401.38388	2.6
408.43390	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	400.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	19.9
57.03429	5.7
57.07069	3.6
58.06609	2.3
67.05499	11.1
69.07062	16.8
69.34884	3.8
69.35278	2.8
70.06580	15.0
71.08624	11.9
74.06096	2.0
75.77090	1.5
79.05505	3.3
81.07058	18.9
82.57941	1.9
83.08615	14.7
84.08143	1.7
85.06537	5.1
87.04440	2.4
88.07629	28.0
91.05499	4.3
93.07032	10.9
95.08601	14.5
97.06529	2.1
97.10177	4.6
99.04455	10.7
99.08099	6.9
102.09142	8.6
105.07034	2.7
107.08600	9.1
109.06523	5.2
109.10145	9.1
111.08087	5.3
119.08636	2.6
121.06503	1.9
121.10149	3.6
123.11703	4.8
125.09598	1.8
131.08507	1.9
132.10216	2.8
133.10094	2.3
135.01947	1.7
135.11734	4.5
137.09569	2.6
145.10141	1.8
147.11641	2.2
149.13272	5.7
150.11168	1.7
176.92294	1.5
189.16403	5.3
195.13800	8.9
207.17418	1.8
225.18532	4.8
229.18338	2.1
230.65309	2.0
243.11333	1.5
243.19524	33.8
244.20035	1.9
249.18495	43.0
250.18987	1.6
256.92020	1.6
267.19513	23.7
308.81461	1.7
338.34119	33.0
347.25699	3.9
365.26813	2.1
382.36740	2.8
400.18811	1.6
400.37866	100.0
401.26685	4.4
401.38281	5.0
403.85577	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	400.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.1
57.07056	1.5
59.04969	0.5
61.04929	0.3
61.41554	0.3
64.27901	0.3
67.05515	1.8
69.07068	5.2
69.74358	0.9
69.74754	0.7
70.06608	1.9
71.08275	0.4
71.08629	6.0
71.31577	0.4
79.05484	0.8
81.07044	3.4
83.08623	3.4
85.06532	0.5
87.04452	0.6
88.07624	3.4
91.05468	0.6
93.07045	3.0
95.08611	3.0
97.06536	2.3
97.10165	1.1
99.04457	0.6
99.08093	5.5
101.06010	1.0
102.09171	1.6
107.08591	2.5
109.10140	1.3
111.08127	1.8
118.84093	0.4
121.10156	0.7
132.10095	0.4
135.11641	0.9
149.13277	2.6
153.12732	0.8
159.11740	0.5
167.14310	1.5
171.13803	100.0
172.14136	3.4
177.12726	1.0
203.43645	0.4
225.18434	0.5
231.15918	4.5
276.12515	0.4
288.04813	0.5
338.34198	3.5
382.37137	0.4
389.47531	0.4
400.37918	12.3
401.26770	0.7
401.37970	0.4
409.35248	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	6.2
56.06833	2.4
56.87238	2.3
57.03404	2.6
65.83328	2.3
67.05499	17.6
67.88285	2.4
69.07061	4.7
71.08627	20.1
79.05486	10.8
81.07047	21.0
83.04982	4.0
83.08598	5.7
91.05473	7.5
92.72108	2.8
93.07037	22.0
95.08601	12.2
97.06525	3.0
97.97641	2.4
99.08091	11.3
105.07007	8.0
107.08638	13.4
109.06516	3.1
109.10178	4.8
119.08596	7.9
121.10139	11.8
133.10118	5.0
135.11687	8.1
149.13255	4.8
151.11166	6.0
161.13263	3.8
170.68152	2.5
179.14311	41.4
277.21585	25.6
342.21429	2.7
351.25275	100.0
352.25571	8.6
382.19138	9.1
401.22949	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	401.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09767	0.8
56.96337	0.6
56.96571	8.1
60.01283	0.7
63.48783	0.7
69.20827	1.6
69.21238	1.9
86.98494	0.6
94.65833	0.7
94.82831	0.6
98.97578	100.0
99.97923	1.2
116.98619	48.4
117.98944	0.8
134.99652	12.8
172.94325	1.2
214.95407	0.8
216.98761	1.0
219.01947	0.8
232.96460	1.9
234.99817	1.5
240.98680	5.6
256.96463	3.2
258.99762	62.7
259.99881	3.7
260.99899	2.2
261.02982	1.6
274.97498	18.9
275.00427	1.2
275.97882	2.5
276.97650	3.4
277.00797	68.0
278.01004	5.0
279.00983	1.6
282.01343	1.0
282.99982	2.5
284.00140	1.2
284.99747	3.4
292.98529	9.1
294.98502	1.6
295.01883	0.9
296.18106	0.6
298.97778	0.9
300.02304	1.4
301.01053	2.8
303.00793	4.8
316.98550	1.0
318.98654	0.9
359.03494	2.4
360.00070	0.9
382.99936	6.9
384.00293	0.8
401.01010	24.5
402.01108	3.6
414.95181	0.9
419.02609	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	401.121
Annotation	Thymusin 6-isobutyrate
Peak:m/z	Relative Intensity
50.88688	0.8
76.04370	0.8
85.02905	1.7
98.23347	0.9
98.97556	1.2
175.05472	0.9
181.04871	0.9
185.06140	0.9
203.05276	3.7
383.12943	1.3
401.12018	100.0
402.12320	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	401.1211
Annotation	Thymusin 6-isobutyrate
Peak:m/z	Relative Intensity
51.87981	0.8
56.55537	0.8
58.22587	0.8
69.03420	1.0
69.84610	0.9
70.70930	1.3
75.01844	0.8
85.02887	2.2
89.74834	0.9
97.02874	1.6
119.01976	1.0
145.04910	1.1
181.05020	1.1
222.11176	1.0
226.36732	0.8
238.50716	0.8
243.16078	0.9
272.01120	0.8
307.33725	0.9
401.12036	100.0
402.12366	7.4
402.17487	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	401.142
Annotation	URB447
Peak:m/z	Relative Intensity
69.03432	1.2
70.06594	0.4
70.07114	1.0
72.63343	0.4
73.06557	1.0
85.02903	2.4
86.09667	0.5
87.04464	0.8
97.02891	1.1
98.97567	1.1
101.20851	0.4
115.03938	1.4
127.03832	0.4
133.04968	1.3
145.04942	0.7
163.06184	0.5
181.04988	1.5
203.05362	1.2
222.11256	0.6
239.08969	1.6
253.12877	0.4
401.14194	100.0
402.14151	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	401.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	1.5
57.07080	0.4
58.06601	100.0
59.06939	0.8
65.03952	0.5
67.05506	0.6
69.07072	1.3
69.25294	1.9
69.80215	0.3
74.54601	0.4
74.85728	0.3
79.05498	2.2
81.07055	1.4
83.04979	0.4
83.08645	0.5
85.02866	0.5
86.06074	3.3
86.09707	16.4
86.80152	0.3
91.05481	2.8
93.07033	0.6
95.04964	1.7
95.08611	1.1
97.06544	0.6
98.22733	0.9
103.05450	1.9
105.04475	0.3
105.07037	1.3
106.04173	1.1
107.04964	2.9
107.08573	0.7
109.06501	0.7
109.10162	0.6
110.03608	0.4
111.04427	0.3
113.07127	0.7
114.05515	0.8
115.05463	0.8
115.08691	48.7
116.06219	0.4
116.08994	0.5
117.07005	0.7
118.04148	0.5
118.06543	3.6
119.04985	0.4
121.06535	0.4
121.10162	0.4
123.04417	1.1
124.05210	0.5
125.05963	0.4
126.05511	0.7
128.06216	0.5
129.06995	1.2
130.06528	1.0
131.04918	1.1
131.08566	1.5
132.08080	4.5
133.06458	0.4
133.10078	0.4
135.04390	0.5
141.06999	0.5
142.09808	0.5
143.08157	67.7
144.05667	0.8
144.08507	0.8
145.06456	1.0
146.06015	0.5
147.04460	0.4
149.05936	0.4
151.03943	1.6
151.07512	0.5
153.01764	0.5
153.05498	1.6
155.08481	0.4
156.05672	1.1
157.06401	0.6
158.05984	0.9
159.08063	1.5
159.11615	0.5
161.05972	0.8
162.06636	0.4
162.55527	0.3
163.03928	0.6
163.07448	0.6
165.07066	0.4
165.09058	0.4
167.07031	9.4
169.10049	0.5
171.14932	0.6
173.05949	1.0
174.05508	0.4
174.06828	0.4
175.08701	1.9
177.05473	0.8
181.04959	2.5
181.06433	0.6
182.07262	0.4
184.05168	0.6
186.12834	1.6
187.07512	1.2
189.05409	0.5
191.07047	1.1
193.08362	0.6
198.33647	0.3
202.06216	0.9
203.08290	1.7
205.06769	0.5
205.08583	1.8
207.06473	0.5
208.05197	2.0
210.06731	0.5
210.15961	0.4
214.12280	3.1
217.08615	4.1
218.07237	0.5
219.08080	0.7
219.10124	0.6
221.06026	0.5
223.07440	0.6
224.04608	0.4
231.07961	0.6
233.07852	0.4
233.09837	0.4
235.07507	0.5
236.04558	0.6
238.15515	0.8
239.06985	0.6
242.11673	2.5
242.16422	0.9
246.06845	0.4
247.07486	1.1
247.09747	1.8
248.08241	0.9
250.06154	0.5
251.10776	0.4
254.05681	1.0
257.04486	0.4
259.07596	0.6
259.14456	2.3
262.09677	0.5
263.07083	0.4
263.10422	1.0
264.07724	1.0
265.08508	0.8
267.06445	0.6
269.08102	1.7
271.09564	0.8
272.06754	0.5
275.06927	0.7
276.07758	0.7
277.08627	0.7
279.09955	0.6
282.05173	0.4
282.08740	1.0
287.05194	0.4
288.13412	10.9
289.13705	0.9
290.09369	0.8
291.06531	0.5
291.10007	1.3
292.07315	0.5
293.07980	0.9
298.15442	2.2
299.09244	0.6
307.09509	1.4
308.10159	0.7
313.10568	0.6
315.08597	5.3
316.09268	0.7
316.12793	2.4
316.16455	2.8
319.09592	0.6
321.07428	0.5
323.12698	1.6
325.10602	0.5
330.10938	6.9
331.11411	1.5
337.10373	0.4
339.12262	0.6
341.10114	0.7
343.11621	1.4
344.19672	2.4
345.13480	0.8
351.12341	2.2
352.12598	0.5
353.10025	0.6
356.11896	0.6
368.12378	1.2
369.13297	0.8
370.12903	0.5
371.14697	0.5
373.12558	1.5
383.14719	6.0
383.20490	1.7
384.14999	0.8
401.11459	2.5
401.16180	1.3
401.21561	1.2
401.30148	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.3
55.01867	5.2
55.05516	27.5
57.03430	6.0
57.07068	9.0
61.02927	4.8
67.05507	19.8
69.03426	13.4
69.07059	21.8
71.01347	5.8
71.04604	4.9
71.04961	25.8
75.01082	3.5
79.05489	34.4
81.03422	4.4
81.07049	90.1
82.07399	4.0
83.04984	4.0
83.08621	22.8
85.02911	25.1
85.03392	4.1
85.06535	4.9
91.05475	27.2
93.07037	46.9
95.04964	12.6
95.08601	40.5
97.02891	9.7
97.06530	5.2
97.10144	6.7
99.08079	9.2
105.07027	38.1
107.04953	11.3
107.08589	65.6
109.10141	43.7
117.07045	7.6
119.04943	3.3
119.08571	51.5
121.10140	22.7
123.04424	3.2
123.08067	5.0
123.11693	44.1
125.09624	14.6
127.03934	3.2
127.11195	27.7
129.06960	6.0
129.19106	3.6
131.08553	7.9
133.06488	3.4
133.10124	42.8
135.11690	100.0
136.11992	5.9
137.09599	4.6
137.13206	8.9
141.07027	3.6
141.12770	4.0
143.08594	5.3
143.10696	26.1
145.10109	10.2
147.11687	23.9
149.09633	4.8
149.13211	21.0
151.11195	4.8
153.12738	15.1
157.10075	7.3
159.08044	5.8
159.11670	15.2
161.06235	3.3
161.13312	17.6
163.14883	6.7
167.07037	16.9
171.11726	8.0
183.11682	3.7
197.13162	4.3
201.16328	4.0
203.17923	36.5
205.19510	9.9
212.27019	3.7
215.18073	4.0
217.08665	9.9
219.08052	4.9
221.19002	28.8
247.09662	4.1
263.10754	3.7
265.08408	3.4
290.09360	3.8
315.08548	7.4
329.21085	6.4
330.10944	10.9
351.12201	4.8
365.23273	5.6
383.15012	25.6
401.16391	4.8
401.25616	4.1
402.14963	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	401.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	8.1
55.05511	29.0
55.94445	4.6
57.03439	10.2
57.07072	5.5
59.04995	5.8
61.02929	6.2
67.05495	23.7
69.03420	14.2
69.07053	19.1
71.04979	31.1
79.05492	27.1
81.03415	8.6
81.07051	100.0
83.05010	6.1
83.08615	19.0
85.02896	20.6
85.06509	6.1
91.05479	23.4
93.07047	49.3
93.07624	7.1
95.04939	11.7
95.08617	54.6
97.02901	6.2
97.10166	12.0
99.08102	11.6
105.07023	31.9
107.04958	20.5
107.08581	76.2
109.06525	11.4
109.10148	41.7
111.04465	5.7
117.07003	7.7
119.08573	43.3
121.10151	24.6
123.11682	36.8
125.06071	5.7
125.09641	22.0
127.03899	5.6
127.11196	23.0
131.08566	16.2
133.04958	5.2
133.10104	37.0
135.08098	5.9
135.11694	90.2
137.05969	5.6
137.13226	10.9
139.07594	5.4
139.11179	7.3
143.10663	60.6
145.10138	11.5
147.11649	24.9
149.13243	21.2
153.12778	9.4
156.05714	8.6
157.10078	10.3
159.08113	9.9
159.11707	15.1
161.13226	16.1
163.07613	7.1
167.07036	62.2
187.07495	5.5
189.16376	7.8
203.17932	46.1
205.08751	7.2
205.19547	18.4
208.05244	7.3
217.08548	21.7
219.08015	11.6
219.10106	5.7
221.18990	32.8
222.19333	6.0
247.07452	10.0
247.09654	11.6
264.07574	5.8
269.08060	8.7
276.07761	5.4
291.10153	10.9
307.09750	6.0
308.10355	6.2
311.20166	5.2
315.08621	28.0
319.09271	6.0
323.12686	5.8
330.11026	36.8
331.11777	9.2
339.12048	6.4
347.22119	8.5
351.12173	10.9
365.23029	6.5
383.14871	57.7
383.23938	7.1
401.18454	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	401.2535
Annotation	Pterodontoside H
Peak:m/z	Relative Intensity
55.01867	7.9
55.05511	38.6
57.07072	8.7
63.29414	5.7
65.54002	7.3
67.05499	27.3
69.03425	22.3
69.07056	27.7
70.22787	6.6
70.95724	8.5
71.04987	37.3
73.02901	6.4
77.03932	6.9
79.05502	34.0
81.03425	9.0
81.07059	100.0
83.08643	31.0
85.02883	34.0
85.06553	10.2
91.05465	30.8
93.07046	66.7
95.04972	11.3
95.08593	75.0
97.02869	13.0
97.10156	8.5
99.08076	25.6
105.07014	39.3
107.08592	85.6
109.10154	62.7
110.42820	7.0
115.03933	9.6
117.07022	7.9
119.08578	68.4
121.06489	11.4
121.10143	42.9
123.08089	9.9
123.11702	67.3
125.09605	28.6
127.11184	19.0
131.08582	18.8
132.56451	7.3
133.04988	13.1
133.10133	47.7
135.11687	90.3
137.09602	11.4
137.13268	24.3
143.08569	6.7
143.10663	64.9
145.10118	18.9
147.08107	8.9
147.11693	29.9
149.13278	33.2
153.12700	12.8
157.10193	12.7
159.11671	26.9
161.13255	18.2
163.14807	8.5
167.10674	7.3
171.11693	14.6
173.13289	7.0
185.13303	7.7
203.17931	38.0
205.19539	32.0
221.19063	40.9
223.20609	12.7
225.12798	9.1
233.18980	12.9
243.09647	6.8
261.14883	10.2
329.20901	9.2
347.22018	7.6
365.23318	11.2
383.14777	13.3
383.24475	15.6
403.06473	7.6
414.52838	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	401.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88412	8.8
55.01867	15.2
55.05503	29.5
57.03432	18.0
59.04998	11.4
67.05494	29.1
69.03420	13.8
69.07065	14.5
71.04986	31.3
73.02923	10.7
79.05485	28.4
81.07059	100.0
83.08617	23.3
85.02905	35.0
91.05476	20.8
93.07043	67.3
95.04993	17.9
95.08585	69.4
97.02876	21.3
97.06561	12.6
99.08103	13.5
103.05441	15.1
105.07019	38.9
107.04959	21.2
107.08606	85.8
109.10139	50.4
115.05479	9.4
117.07030	18.0
119.08582	57.1
121.06487	10.5
121.10131	31.7
123.11694	56.1
125.09632	21.7
126.01820	9.5
127.11173	24.3
129.63116	9.2
133.04953	9.1
133.10115	32.2
135.11719	97.5
139.11192	10.1
143.10677	24.8
145.06477	23.0
145.10114	21.4
147.11702	31.6
149.13284	33.0
153.12738	12.2
155.05931	10.6
159.11668	21.9
161.13197	24.7
162.77582	9.0
163.03882	13.9
163.14752	11.3
167.07030	24.7
172.67601	9.5
173.06003	13.7
175.03857	9.3
191.07025	26.2
203.18027	47.4
205.19542	16.8
208.13184	15.2
217.08559	12.0
221.19034	30.7
315.08557	13.7
383.14984	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	401.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	10.7
57.07071	3.7
65.03939	2.8
67.05507	16.3
69.07069	12.6
70.69608	3.4
71.04992	12.6
79.05489	25.2
81.07059	30.7
83.08616	3.7
91.05480	51.6
91.06049	3.2
93.07047	50.4
95.04977	14.7
95.08603	22.4
101.69934	2.4
105.04538	2.4
105.07027	87.5
107.08597	41.1
109.06526	58.2
109.10175	13.6
111.08074	10.1
115.05462	7.0
116.06230	2.6
117.07019	26.0
119.08577	82.8
119.09425	4.5
121.06519	2.7
121.10135	18.5
123.08076	5.3
123.11740	3.3
128.06206	12.9
129.07019	21.9
130.07788	9.3
131.08569	62.3
132.08842	2.2
133.10127	83.1
135.08087	16.6
135.11697	20.7
137.09648	7.9
141.06993	7.9
142.07771	32.0
143.08563	44.9
144.09341	9.1
145.10129	100.0
146.10500	2.4
147.08049	7.6
147.11697	14.0
149.09639	5.2
153.06944	5.1
154.07828	2.9
155.08536	21.9
156.09349	18.2
157.10130	55.3
158.10904	18.6
159.11690	34.1
161.09624	6.1
161.13235	4.4
165.06990	5.2
166.07805	2.8
167.08577	10.0
168.09348	6.1
169.10124	23.7
170.10880	8.0
171.11685	31.1
172.12463	4.9
173.13266	42.1
175.11214	2.6
175.14803	17.6
179.08563	8.2
180.09357	9.0
181.10120	14.9
182.10889	8.6
183.11679	26.0
184.12515	6.3
185.13234	17.6
187.11227	2.6
187.14825	44.6
189.12756	5.8
193.10231	10.7
194.10869	8.6
195.11691	21.2
196.12440	6.1
197.13258	15.1
199.14825	21.6
201.12712	5.3
201.16379	4.1
205.10179	3.1
206.10873	6.3
207.11647	13.9
208.12543	3.2
209.13254	24.9
211.14816	9.5
213.12782	4.8
213.16385	3.3
215.14464	2.8
219.11594	2.4
221.13260	17.7
222.14030	5.8
223.14743	10.7
227.14226	2.5
233.13353	4.0
234.14001	2.6
235.14720	7.1
237.16386	7.2
247.14754	4.5
251.17909	5.3
252.18794	2.9
261.16382	3.8
263.17923	4.7
265.19556	8.7
277.19583	3.7
287.31842	2.3
343.24045	2.7
383.27020	3.3
401.13214	3.7
401.17743	6.4
401.28311	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62727	6.8
55.05509	16.4
57.07075	10.1
62.64778	5.6
67.05508	28.5
67.38284	5.3
69.07074	25.2
69.34048	35.6
70.06588	8.9
71.04980	9.6
72.04513	12.3
75.36760	6.6
79.05489	24.2
81.07059	42.2
81.70245	5.7
87.04476	6.4
88.66898	5.9
91.05478	49.6
93.07035	60.1
95.04964	14.9
95.08614	24.6
98.23499	8.3
105.07028	92.7
107.08612	42.1
109.06537	59.8
109.10155	17.6
111.08064	10.4
117.07038	28.2
119.08577	87.7
121.10159	20.8
128.06224	14.8
129.07034	20.2
130.07803	12.2
131.08585	65.0
133.10127	79.3
135.08078	13.2
135.11732	16.6
141.07001	10.2
142.07748	30.8
143.08565	51.0
145.10123	100.0
147.11690	11.8
155.08546	22.9
156.09366	22.5
157.10172	60.6
158.10860	12.7
159.11696	41.1
161.09711	6.8
161.13191	6.2
165.07019	8.1
167.08560	8.4
168.09302	9.6
169.10150	20.3
170.10828	8.8
171.11673	39.0
173.13248	43.3
175.14847	20.9
179.08524	8.6
181.10117	11.4
183.11713	18.9
185.13275	16.8
187.14856	43.4
193.10133	12.8
195.11700	20.8
197.13303	19.8
199.14841	22.0
201.12767	8.9
207.11717	16.8
209.13217	23.9
211.14865	14.8
213.12854	8.2
221.13362	11.6
235.14915	9.0
237.16422	7.8
252.18861	7.0
265.19418	12.4
273.16766	6.2
315.26132	6.0
355.40085	6.2
401.27908	29.2
401.38324	11.9
402.39221	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	401.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98194	4.5
55.05506	11.2
55.79151	4.7
57.07074	8.0
67.05498	21.6
69.07070	21.3
70.06598	6.9
70.70022	9.4
71.04987	11.0
72.04518	77.0
72.99881	5.8
73.04865	10.9
79.05497	22.8
81.07052	36.8
83.08615	7.0
88.02216	100.0
88.02724	7.9
88.07661	11.7
89.02566	17.1
90.01794	10.8
91.05483	44.4
93.07043	62.4
95.04967	13.8
95.08603	27.9
105.07037	89.1
107.08598	51.0
109.06529	56.3
109.10164	18.1
117.07000	23.7
119.08590	79.0
121.10147	15.1
123.08071	8.3
128.06239	14.9
129.07050	18.3
130.07817	13.3
131.08577	66.7
133.10117	91.4
135.08049	16.9
135.11668	24.2
141.07001	8.4
142.07756	24.8
143.08574	41.1
144.09282	9.0
145.10129	91.0
147.08054	10.9
147.11714	18.7
149.09616	6.1
155.08543	21.9
156.09427	12.8
157.10120	67.5
158.10902	11.7
159.11685	38.6
161.09546	5.1
162.61040	5.3
167.08559	10.5
168.09387	4.7
169.10136	14.4
170.10898	7.2
171.11661	30.2
173.13245	44.9
175.14857	20.9
179.08601	14.2
180.09372	8.2
181.10149	10.6
182.10905	6.3
183.11653	24.8
185.13240	16.9
187.14789	46.6
193.10066	7.0
194.10902	10.6
195.11670	24.9
197.13280	14.7
199.14813	19.5
201.12656	7.5
206.10968	6.7
207.11700	12.7
208.12502	6.3
209.13237	22.7
211.14821	18.2
215.14291	6.6
221.13258	18.9
223.14905	8.7
225.12714	5.4
235.14832	5.8
237.16347	7.2
239.17834	5.8
251.12784	7.6
265.19547	7.5
339.34338	9.6
345.17197	14.6
400.37979	8.4
401.13492	7.3
401.18250	7.7
401.26901	47.4
401.38467	13.4
402.18359	6.1
402.39313	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	401.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.01872	1.6
55.05254	1.3
55.05511	15.4
57.03440	1.3
57.07076	100.0
58.06615	1.2
60.76709	1.1
67.05165	1.7
67.05505	32.3
69.03432	14.0
69.07069	20.9
70.06597	9.2
70.15074	2.5
71.04980	2.3
71.08633	73.2
73.02908	1.2
79.05486	2.5
81.03426	10.3
81.07057	47.2
83.08621	33.9
85.02901	27.2
85.06541	2.5
85.10181	42.3
86.10507	1.5
87.04449	1.2
88.07117	1.8
88.07628	15.4
89.07988	1.4
93.07049	2.4
95.08607	67.1
97.02894	44.8
97.10159	14.7
99.04460	13.0
99.11736	3.5
102.09177	5.8
107.08582	1.2
109.02878	10.9
109.09412	2.1
109.10155	33.0
111.11713	5.5
113.13265	1.0
123.11717	15.5
125.13287	4.8
127.03912	21.9
133.91687	1.0
137.13231	9.2
139.14827	3.0
145.04932	10.0
149.54192	1.3
151.14795	4.4
165.16383	2.8
213.09723	1.1
221.22603	6.2
225.82230	1.1
239.23688	79.9
240.24019	3.3
248.42586	1.0
257.24713	2.5
270.59213	1.0
273.41068	1.1
298.27380	1.3
328.15356	1.0
338.34164	2.1
339.34583	5.0
340.35843	13.3
383.27887	6.5
400.37799	7.0
401.26434	10.0
401.38135	19.0
402.39401	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	402.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94361	1.1
57.03438	15.4
59.05010	5.8
60.04542	1.4
61.02922	2.5
68.18979	1.1
69.03426	60.3
70.03770	1.7
70.29768	2.6
73.02933	5.7
73.06553	100.0
74.06860	1.8
80.98947	1.1
81.03420	2.7
84.04491	1.2
85.02901	44.5
87.04469	42.8
91.07589	19.7
97.02889	48.0
99.04494	1.3
109.02887	2.4
115.03925	82.2
116.04262	1.7
127.03888	8.9
133.04964	73.6
133.08615	2.6
134.05353	1.1
135.62218	1.2
145.04945	9.2
150.07587	6.5
163.06041	2.1
166.08633	1.2
205.07054	1.5
223.11748	2.8
241.07039	3.2
253.12834	7.2
259.08145	4.0
277.09201	2.7
295.10159	4.0
402.12784	4.9
403.15448	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	402.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71387	4.7
55.01869	15.9
55.05514	51.0
56.15021	4.7
57.03432	29.5
65.03936	5.8
67.05502	100.0
69.03426	11.8
69.07067	78.4
69.67754	11.1
69.68133	9.3
77.03938	6.1
79.05495	77.7
81.03423	8.0
81.07055	95.1
83.04995	17.7
83.08616	27.8
83.66557	5.0
85.06535	8.6
91.05479	60.7
93.07044	94.7
94.07368	4.9
95.04969	21.1
95.08612	54.6
97.06517	26.0
97.10152	23.7
98.22801	7.7
100.79454	5.0
105.07036	48.7
107.04939	10.6
107.08595	61.9
109.06518	10.1
109.10152	18.8
111.08120	5.4
117.07022	22.8
119.08589	43.7
121.06513	6.7
121.10105	27.0
123.08069	7.7
125.09618	26.9
129.07013	9.2
131.08548	27.9
133.10104	36.5
135.08095	8.5
135.11691	31.1
143.08577	6.9
145.10078	26.8
147.11670	24.2
149.09633	22.4
149.13263	17.4
157.10201	8.0
159.11694	28.8
161.13284	6.8
163.11212	17.0
171.10222	8.1
173.13234	9.0
177.12776	11.5
183.11818	6.0
189.11272	11.1
195.13725	7.6
210.09033	24.0
227.12752	21.4
229.14363	7.2
239.17844	5.2
245.13837	10.7
254.11919	8.5
255.15962	45.4
257.19016	15.5
268.19064	13.9
269.17468	73.2
275.20013	55.7
286.20102	20.8
300.12265	64.7
349.23700	87.7
366.26456	9.2
367.24838	15.0
370.12750	24.9
373.09155	21.9
384.27347	9.9
402.15515	14.6
402.28430	35.3
403.13846	28.0
403.21274	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	402.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	7.0
55.05508	30.6
57.03431	30.4
65.84925	4.8
67.05505	84.1
69.03432	6.1
69.07066	45.7
70.33270	4.6
71.04977	5.9
71.45521	4.8
79.05498	50.1
80.77179	5.2
81.07059	100.0
83.04977	12.8
83.08606	24.5
85.06548	9.0
91.05469	47.8
92.45089	4.8
93.07043	73.2
95.04969	13.7
95.08616	36.3
97.06546	19.6
97.10170	13.3
105.07041	38.6
107.04994	7.1
107.08595	38.4
109.06492	8.2
109.10119	22.1
111.08105	9.9
117.07057	12.9
119.08575	35.4
120.71686	4.2
121.06534	7.2
121.10149	27.6
122.32532	4.8
123.08092	6.3
125.09669	5.8
129.07018	6.1
131.08562	24.0
133.10141	25.2
135.08081	7.9
135.11697	28.5
145.10139	20.4
147.11716	10.9
149.09663	11.3
149.13261	19.9
157.10210	6.5
159.11746	26.4
163.11191	13.3
171.31351	4.4
173.13231	7.6
177.12740	15.5
179.14285	5.0
181.12242	6.5
195.13800	11.3
227.12791	12.8
229.19489	5.3
247.20419	5.2
255.15941	66.9
257.19025	11.6
269.17453	78.0
275.20132	44.5
305.26837	4.8
324.26416	4.4
349.23788	34.3
367.24683	13.9
373.09454	10.8
403.13953	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	402.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	52.8
57.03426	28.1
67.05512	85.9
69.07050	36.0
70.67203	15.6
71.32653	21.3
79.05488	57.2
81.07050	82.5
82.76230	17.3
83.04952	20.4
83.08625	23.7
91.05479	74.4
93.07035	60.2
95.04977	43.1
95.08607	51.6
97.06524	20.1
97.10136	18.8
98.23478	46.8
105.07006	62.0
107.08575	46.3
109.10139	50.2
119.08537	26.0
119.56057	14.8
121.10114	15.7
129.01834	29.0
131.08586	21.7
133.10141	58.8
133.72542	18.8
135.11644	26.2
137.09613	17.4
151.11165	29.8
165.53198	16.4
208.50932	18.5
275.20114	33.4
285.17050	31.7
293.20978	30.4
327.52255	15.5
351.25366	21.5
367.24936	100.0
368.25034	20.9
373.09122	21.6
402.23047	86.3
403.13785	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	402.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36357	3.8
52.63165	4.1
53.03959	7.5
55.01875	16.6
55.05508	23.7
57.03445	12.0
57.07071	6.7
58.99270	4.1
66.56541	4.2
67.05498	58.3
69.03441	7.6
69.07066	15.4
69.86732	11.7
71.04976	4.3
79.05482	33.9
81.03429	7.2
81.07049	59.7
83.04979	8.5
83.08620	16.2
85.06528	8.3
85.78046	4.3
89.66804	4.3
91.05480	49.6
93.07041	33.5
95.04983	14.0
95.08605	32.2
97.06539	8.2
97.10209	4.2
105.07028	43.2
107.04965	7.2
107.08604	33.6
109.06519	7.0
109.10165	44.6
111.08111	4.5
119.08595	13.3
120.08170	5.0
121.10155	13.8
123.11711	10.2
125.09627	10.1
129.07024	6.3
131.08578	11.5
131.18477	4.5
133.10132	53.9
135.08009	6.6
137.09598	12.7
145.10139	8.8
147.11711	13.4
149.09616	8.0
151.11198	36.1
159.11749	6.7
163.11218	7.6
165.09267	4.3
165.12775	6.1
169.12201	6.3
177.12770	6.7
218.42924	4.6
218.84114	4.8
253.14348	26.2
266.40344	5.2
271.15479	4.9
271.39023	4.7
275.20084	31.0
285.16998	12.6
293.21292	11.3
349.23776	8.9
367.24817	100.0
373.09116	11.6
403.13995	9.4
403.24661	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	403.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45176	7.4
55.01859	21.4
57.10549	8.1
64.88544	7.9
65.03922	9.2
67.05512	12.3
69.03428	24.4
69.22767	38.4
69.23172	18.1
69.33995	9.0
75.92455	8.5
77.35138	7.7
79.05489	46.8
81.03412	11.7
81.07061	14.6
83.01324	12.5
85.02888	11.6
91.05476	48.2
93.07062	11.2
95.04958	58.6
97.02882	9.1
98.22696	15.3
103.05462	15.2
105.03344	11.8
105.07007	23.7
107.04956	38.3
109.02870	13.5
115.05466	24.7
117.07027	27.9
119.08568	16.7
123.04430	27.5
128.06206	29.8
129.06989	61.6
131.04939	18.8
131.08618	15.4
131.44319	8.3
133.06511	27.1
135.04431	20.3
137.05986	19.0
139.03899	13.0
141.07010	22.2
143.08565	23.7
145.06487	16.8
147.08009	17.9
149.05971	14.4
151.03903	93.2
152.06238	15.5
153.05461	13.9
153.06996	43.4
155.06049	14.5
155.08566	31.8
157.06497	25.0
157.10074	11.5
159.04489	13.7
161.06145	11.2
165.05479	100.0
165.06992	39.6
166.07748	18.3
167.03392	13.7
167.08580	24.7
169.06514	17.7
171.08063	23.0
173.06042	23.4
174.55092	10.3
175.03903	12.1
175.07510	18.1
178.07809	15.7
179.08571	24.5
181.06496	35.1
181.10141	27.5
181.12485	8.5
183.08095	17.6
185.06053	31.3
185.09624	10.3
189.05507	24.0
190.07787	23.3
191.08514	17.0
194.07263	14.9
195.08049	14.4
199.07500	28.0
199.11055	11.5
201.05441	10.8
203.03484	14.0
203.07010	39.0
203.08673	11.0
205.10187	21.2
207.08098	13.4
207.13808	16.7
209.05986	23.6
209.09607	16.6
211.07593	27.2
213.05478	23.6
213.09154	15.4
215.08656	11.3
216.56036	8.5
219.07968	13.2
221.08099	33.4
223.11409	11.9
227.07040	41.5
227.10585	13.2
229.01973	8.4
231.02798	9.5
233.09618	20.6
235.07503	10.1
235.11267	9.6
236.12840	25.1
237.05458	11.2
237.09131	34.7
239.06963	12.2
251.10675	24.3
253.08519	14.7
255.06500	40.6
255.10208	38.2
261.09152	23.1
265.08618	33.3
273.07571	30.1
279.10187	29.4
283.06027	41.5
283.09720	54.4
289.08594	14.9
297.11166	19.0
299.09406	13.5
301.07080	63.7
301.10480	20.0
307.09637	34.6
309.11154	15.3
313.10599	8.9
315.12231	73.6
325.10666	40.7
333.09903	16.5
335.09143	36.5
339.12418	11.3
343.11844	10.2
353.10132	83.0
367.11768	35.5
371.11029	20.3
385.12704	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	1.5
59.81627	0.6
60.46430	0.7
65.03931	1.7
65.34774	0.7
67.05497	2.5
69.63696	2.5
71.93071	0.8
72.44292	0.6
79.05521	1.2
81.03413	1.4
81.07070	1.1
84.69610	0.7
85.02910	0.8
86.09732	1.2
91.05488	1.4
93.07066	1.1
95.01338	4.2
95.04961	2.4
95.08629	1.0
103.05457	1.6
105.07018	0.9
107.04987	1.0
107.08612	0.8
107.38872	0.7
108.02096	1.5
109.06489	0.8
109.10168	1.2
111.04441	1.1
115.05450	2.2
117.03384	0.6
119.08578	0.7
120.08080	0.9
125.06005	0.8
128.06183	0.9
129.01816	1.6
129.07007	2.8
131.04924	3.1
133.10167	0.7
136.01479	0.8
137.05975	7.3
137.44183	0.8
138.36870	0.8
141.05507	2.3
143.04936	1.5
145.02882	1.3
145.06453	1.2
151.03909	100.0
151.05006	8.6
152.04256	3.0
153.05490	1.4
157.06517	4.7
159.04448	1.1
160.05170	1.1
161.05981	4.4
163.07547	1.3
165.05542	1.4
167.07056	4.0
171.04453	2.4
172.05168	0.8
173.06110	1.3
174.06812	1.8
175.07561	2.2
177.05492	3.2
177.06940	1.1
179.03427	2.9
181.04980	2.1
184.05215	0.9
185.05966	3.7
186.03136	2.2
186.06744	1.2
189.05452	5.4
189.09077	2.1
191.07034	2.9
194.07288	1.3
199.07492	1.2
201.05400	14.6
202.06253	9.3
203.07059	3.3
205.06505	2.8
205.08417	1.1
207.06474	1.3
212.04677	1.2
217.04982	5.4
217.08513	5.2
219.06493	8.8
219.08075	0.8
221.05923	1.1
222.06779	3.1
225.09111	0.8
229.04958	10.8
230.05272	0.9
233.05995	1.9
233.08104	1.5
234.06726	1.2
237.09171	2.6
247.05762	3.8
249.05339	1.2
249.07597	3.0
250.06210	6.8
251.06950	1.5
259.09659	22.1
261.07596	26.2
263.06946	1.9
264.07764	0.8
265.08612	7.4
266.05627	0.7
275.06891	0.8
277.05081	0.9
277.08282	1.2
278.05688	4.3
279.06555	0.9
281.08142	1.9
282.08774	1.6
285.07693	1.8
285.11023	1.0
286.08383	2.5
291.06531	1.5
292.07324	0.9
293.08051	12.4
294.08572	1.2
295.05978	1.4
295.09665	1.0
297.11200	1.5
307.09702	1.4
308.06967	0.8
309.07590	1.5
310.08389	1.1
321.07541	17.8
322.08072	2.3
323.05597	0.9
323.09070	4.2
325.10675	6.1
335.09091	1.0
338.07742	0.9
341.10223	6.0
353.10178	19.9
354.10529	1.5
371.11197	11.5
372.11697	0.8
373.12515	0.9
385.12711	6.1
403.13803	2.7
404.28833	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	403.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	0.4
57.02729	0.5
60.46322	0.4
71.44982	0.5
85.02937	0.7
86.09716	1.1
90.40030	0.4
98.97581	1.0
99.04438	0.4
101.94981	0.5
121.06557	0.5
148.04860	0.6
237.02774	0.7
271.11560	0.6
303.07703	0.6
321.08771	1.4
333.07919	1.6
335.09503	1.4
403.15738	100.0
404.16019	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	403.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14775	0.5
59.86185	0.5
62.55483	0.5
66.72217	0.5
70.93471	0.8
72.08148	1.5
75.35920	0.5
85.02899	0.6
86.09708	1.5
111.60594	0.6
114.64704	0.5
126.58736	0.4
151.03873	0.7
201.03690	1.2
275.07260	0.8
333.07904	31.2
334.08322	1.1
335.09473	12.8
403.15741	100.0
404.16144	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	403.1599
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.48734	1.6
53.03930	5.2
55.01868	3.0
57.03424	1.9
59.05001	15.0
61.02927	2.0
67.05502	7.6
69.03420	6.6
70.17454	1.7
71.01353	2.1
71.04991	6.4
76.85710	1.6
77.03940	2.9
79.05489	23.2
81.03413	5.4
81.07037	2.6
85.02907	14.3
86.09694	8.0
87.04452	1.9
91.05482	8.4
93.07050	9.9
95.04970	25.1
95.08591	2.5
97.02886	4.9
98.23418	4.0
103.03960	1.9
103.05480	9.5
103.50391	1.7
105.04518	3.2
105.07034	5.1
107.04949	87.6
108.05267	1.9
109.02876	96.3
109.06501	11.9
111.04436	4.5
111.08076	1.8
115.05466	1.8
121.06491	25.4
122.21168	1.8
123.04400	12.5
125.02412	2.1
127.03893	4.9
131.04916	9.4
133.02873	2.5
137.05957	3.0
139.03896	32.7
139.07558	9.2
141.05513	3.0
145.04927	3.1
145.10133	2.3
149.05969	33.7
151.03891	24.4
151.09959	1.8
154.53931	1.5
159.04378	4.6
163.07471	2.0
165.05466	89.4
167.07056	13.1
171.06505	3.9
177.05464	100.0
178.05838	3.9
181.04929	2.1
181.08591	2.1
183.06537	2.7
189.12747	4.7
191.06984	3.8
195.06541	3.2
197.08099	4.4
207.13773	8.7
209.08073	70.2
223.09660	2.8
241.10721	4.0
242.08076	3.3
279.56778	1.8
324.63760	1.8
403.13779	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	403.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.0
53.03942	2.4
55.01866	1.6
57.03429	1.4
59.05000	14.7
61.02917	2.2
64.07288	0.7
64.36519	1.0
67.05497	5.4
68.02618	1.1
68.66521	0.7
69.03427	3.6
71.01353	2.2
71.04986	4.9
74.95154	0.7
77.03938	3.1
79.05492	21.2
81.03430	3.9
81.07056	1.8
83.04988	2.6
85.02905	13.8
87.04451	1.4
91.05477	6.1
93.07036	8.1
94.04170	1.3
95.04965	24.6
95.11896	1.0
97.02885	4.8
98.23488	2.5
103.03938	0.9
103.05456	9.1
104.54415	0.8
105.03378	1.3
105.04507	2.6
107.04952	78.8
108.05296	1.5
109.02876	100.0
109.06517	10.3
110.03194	1.6
111.04473	3.5
111.08052	1.1
121.06503	20.6
122.06868	1.6
123.04431	11.6
125.02416	1.9
127.03897	1.4
131.04956	5.3
133.02853	1.7
133.16611	0.8
135.04431	2.3
137.05988	3.8
137.09583	0.9
139.03894	30.1
139.07501	7.0
140.04208	0.9
141.05475	2.3
145.04982	1.6
149.05980	34.7
151.03897	23.0
153.05467	0.8
157.04948	1.4
159.04422	4.2
163.07506	0.9
165.05472	89.4
165.12709	1.4
166.05821	2.6
167.07028	9.4
171.06526	4.5
177.05464	96.3
178.05820	3.6
179.07040	1.3
181.08582	2.0
183.06561	1.9
191.07011	3.5
195.06560	3.6
207.13785	1.0
209.08080	77.2
210.08473	2.6
223.09641	3.3
241.10706	4.2
336.73895	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	1.4
53.03940	2.8
55.01868	2.7
57.03419	1.4
59.05001	13.2
61.02920	2.0
65.03941	1.4
65.83339	1.2
65.86845	1.2
67.05498	4.7
69.03423	3.8
71.01363	4.1
71.04981	5.4
75.27562	1.1
75.28719	1.2
77.03911	2.7
79.05497	21.6
81.03396	5.0
81.07047	2.5
83.04977	3.5
85.02912	12.1
85.06532	1.7
86.09721	1.8
87.04472	1.7
91.05487	7.4
93.07047	8.8
93.24491	1.1
95.04966	23.1
97.02888	4.6
103.03947	1.4
103.05478	10.1
105.03397	2.8
105.04529	3.5
105.07024	2.2
107.04951	74.4
109.02875	100.0
109.06514	11.9
111.04454	2.5
111.08062	1.1
119.08588	3.0
121.06506	20.0
123.04430	11.1
125.02353	1.7
127.03926	2.7
131.04939	5.1
133.02859	2.2
133.06525	1.5
135.04433	3.1
137.05952	5.7
139.03889	29.5
139.07500	7.0
141.05450	1.5
145.04962	1.5
147.04417	1.8
147.11688	2.4
149.05980	32.9
151.03894	21.6
153.05508	1.4
153.09077	1.3
159.04398	4.0
161.06000	1.4
163.07568	2.8
165.05473	85.7
166.05794	2.2
167.07034	13.2
171.06497	3.9
177.05464	79.9
178.05864	2.3
181.04976	2.1
181.08665	1.5
183.06528	3.4
189.12794	6.2
191.07002	2.6
195.06598	3.8
207.13895	2.1
209.08075	65.4
210.08377	2.4
223.09642	2.4
241.10706	3.8
403.19186	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	9.0
55.05501	27.1
65.03925	12.1
67.05515	35.6
67.83044	5.5
69.07072	16.5
69.09689	28.1
79.05482	24.2
81.03452	8.1
81.07050	40.8
83.08611	13.6
83.49684	6.0
91.05482	35.0
92.52368	6.1
93.07039	26.7
95.04964	15.0
95.08603	25.2
97.06522	9.1
97.10178	6.3
99.04508	6.3
103.05462	7.5
105.07027	26.4
107.04945	13.4
107.08597	16.5
109.10139	12.5
115.05470	19.1
117.07001	37.9
119.04947	11.5
119.08582	12.1
121.06502	8.2
121.10124	14.5
123.08025	8.2
128.06232	39.1
129.01848	13.6
129.07008	74.2
131.04918	8.1
131.08546	31.2
133.06465	11.0
133.10120	13.3
135.08095	8.1
135.11700	7.6
141.06984	71.9
142.07727	12.8
143.08563	50.7
145.06497	24.7
145.10114	20.3
147.08043	7.8
152.06189	10.4
153.06966	20.4
154.07776	14.9
155.08528	59.5
157.01299	7.2
157.06525	31.5
157.10106	21.2
159.08041	23.8
159.11630	11.4
160.28189	6.1
161.05971	13.8
165.05621	8.0
165.07008	26.7
165.59865	6.4
166.07779	16.3
167.07147	12.0
167.08519	63.7
168.09343	5.8
168.73779	6.2
169.06462	39.8
169.10149	53.8
171.08060	17.5
171.11687	6.5
173.05988	10.4
173.09564	11.5
178.07790	12.5
179.08546	20.0
181.10106	38.8
183.08054	16.8
183.11652	16.1
185.06006	15.3
185.09593	24.2
187.07471	18.3
187.11214	7.4
189.05481	13.7
189.09102	9.0
195.08040	36.7
195.11713	16.8
197.05984	10.9
197.09595	27.6
199.07550	9.9
199.11163	8.2
201.09088	12.5
204.09111	7.0
207.08154	9.5
209.09651	18.8
209.13214	6.6
211.07683	6.0
211.11235	11.6
213.09132	21.8
215.07185	6.4
221.09605	8.2
223.07454	14.5
223.11110	7.0
225.09047	7.4
227.10614	10.2
229.12161	6.9
251.06787	6.4
251.18079	15.5
257.11740	7.6
261.16412	14.9
269.19006	12.4
279.17517	40.8
280.17523	7.2
289.15613	8.7
297.18430	41.0
298.96243	6.8
307.15652	61.0
315.19427	9.2
325.17938	100.0
327.19559	6.7
335.16412	50.1
339.19550	10.1
343.19031	14.4
353.17514	72.2
354.17838	7.4
357.20645	9.1
367.19012	14.3
371.18530	26.8
372.19077	6.8
385.19894	36.5
403.12958	10.3
403.21255	38.8
404.20593	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	403.2481
Annotation	Macrolactin F
Peak:m/z	Relative Intensity
50.40203	2.6
53.03936	3.6
55.01857	9.4
55.05512	79.7
55.05782	4.3
67.05504	31.4
69.03413	7.6
69.07074	12.0
69.07860	2.5
71.04973	4.3
71.43024	2.6
79.05497	51.5
81.07060	34.6
83.04986	7.4
83.08613	35.2
88.73476	2.3
91.05477	26.1
93.07037	19.4
95.04984	5.6
95.08080	2.2
95.08611	14.2
97.06567	4.6
97.10174	69.0
103.05466	13.8
105.03397	5.3
105.07025	17.5
107.04951	4.3
107.08588	27.3
109.06541	3.5
109.10164	8.9
111.08083	2.6
115.05455	5.3
117.07030	25.5
119.08613	12.8
121.06469	2.5
125.08710	3.6
125.09628	52.8
128.06226	5.1
129.01836	3.2
129.06998	21.9
131.04939	9.1
131.08568	18.3
133.06477	5.2
133.10097	3.6
135.08034	8.6
135.63571	2.4
141.06996	7.8
143.08557	9.6
145.06517	13.2
145.10124	8.7
149.09615	5.5
153.09135	3.3
155.06015	2.5
155.08562	10.9
157.06505	6.7
157.10110	5.3
159.08087	4.3
159.11736	5.4
167.08530	4.5
169.10100	6.8
171.08034	3.9
171.10172	4.9
171.11690	4.4
181.10135	2.7
185.13326	3.8
187.14793	15.6
189.11206	50.6
195.11578	2.9
197.13307	13.3
205.10289	2.6
209.13251	2.4
210.09152	4.6
211.09528	4.3
213.12704	7.9
215.14305	100.0
216.14665	6.3
223.11259	4.8
227.14412	2.7
233.15359	10.5
241.12195	9.6
259.13300	8.3
301.12567	19.7
330.07593	3.0
339.23157	5.9
349.21625	13.3
357.24130	3.3
367.22687	62.9
368.22842	3.8
371.13065	7.4
373.09143	16.2
385.23740	74.9
386.23993	8.2
403.13803	14.5
403.20825	94.5
403.24936	21.1
403.32727	5.5
404.20844	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	403.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54834	3.2
62.16848	3.5
69.09305	23.5
95.71093	3.1
129.01831	11.8
185.08148	3.9
194.17010	3.3
211.02313	3.6
357.12567	4.3
359.13098	7.3
360.13562	6.9
371.25540	60.1
373.09625	16.4
373.13617	15.9
374.15369	11.0
375.15808	6.8
385.27054	10.6
387.16293	21.2
388.16959	19.3
402.13724	4.3
402.18512	5.0
403.14960	71.2
403.19189	100.0
403.27615	35.3
404.14972	6.9
404.20279	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	403.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15545	2.1
53.03941	4.4
55.05512	27.9
57.03443	2.8
57.07075	4.1
65.03944	2.9
67.05499	38.4
69.03414	2.9
69.07068	13.5
69.09655	16.8
70.06606	3.8
71.04997	6.6
73.29574	2.3
79.05490	75.4
79.05949	4.3
81.07054	100.0
83.08623	9.5
85.06540	5.9
91.05484	54.7
93.07041	71.4
93.07603	4.4
95.04975	8.3
95.08596	23.7
97.06531	2.8
98.23468	4.0
99.08077	2.6
102.09152	2.7
105.04507	3.5
105.07029	49.5
107.08585	36.3
109.06534	10.7
109.10159	12.2
117.07022	17.1
119.08572	37.5
121.10136	33.3
125.09591	5.8
127.07564	9.2
129.01819	4.9
129.06993	9.3
131.08575	12.8
131.36107	2.4
133.10127	43.6
135.11685	30.9
143.08563	9.6
145.10120	17.4
147.11685	26.0
149.02376	5.2
149.13277	20.4
157.10129	8.2
159.11694	14.3
161.13266	18.0
163.14874	4.1
170.88879	2.3
171.11717	6.7
173.13266	6.4
175.14813	7.9
185.13260	6.5
187.14798	3.1
199.14864	8.8
218.59370	2.3
231.21126	7.8
238.00797	2.4
241.19534	17.2
259.20578	67.1
260.20850	2.7
262.92133	2.5
277.21591	16.0
301.07178	2.9
373.09167	17.7
402.39426	5.7
403.13943	17.2
403.28326	39.3
403.39737	7.1
404.13898	2.3
404.20221	4.3
404.28479	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	404.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66681	0.8
53.16889	0.9
56.96568	17.2
67.05501	1.7
79.05487	0.9
81.07064	1.5
91.05457	1.7
94.04185	2.3
98.97582	100.0
104.99252	0.9
109.10133	1.5
116.98621	60.7
122.02821	1.0
122.03631	4.7
133.10196	0.9
134.98709	1.6
134.99663	25.3
137.05978	51.2
138.06323	1.2
140.00208	6.8
153.00739	2.7
158.01254	3.3
169.30582	0.9
179.00096	2.0
197.01210	2.2
198.01915	1.2
208.10121	0.9
211.02689	2.0
220.00420	2.8
224.09567	2.0
225.04523	0.8
226.11139	21.3
226.79774	0.8
235.02773	69.7
236.02980	2.4
238.01447	1.6
242.10605	1.9
244.12192	9.5
249.12733	0.9
253.03836	93.5
254.04100	4.0
267.13681	1.0
268.12143	4.1
271.04874	2.7
276.05444	15.2
277.05872	1.1
280.12219	2.1
312.46271	1.0
329.12854	1.4
344.15277	8.3
362.16229	1.7
369.24255	0.9
404.17383	95.6
405.17682	8.2
405.22174	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98474	0.7
53.40415	0.8
56.96569	15.9
67.05507	2.3
69.42481	1.9
69.42870	1.5
75.11543	0.7
79.05502	0.9
81.07043	1.1
91.05459	2.1
91.35861	0.8
94.04212	1.1
97.06476	0.8
98.97581	100.0
107.04887	1.1
116.98619	57.8
119.05247	0.7
122.03650	3.5
134.99648	23.3
137.05977	51.3
138.06287	1.7
138.93669	0.7
140.00160	4.9
153.00722	1.9
158.01230	3.0
179.00119	2.3
180.00842	1.1
182.50777	0.8
193.01833	1.1
197.01184	3.7
198.01944	0.9
211.02760	1.6
211.13109	0.7
214.21027	0.8
220.00407	2.7
224.09686	1.7
226.11134	20.8
235.02760	64.1
236.03151	2.3
238.01547	2.9
244.12190	8.5
253.03841	86.2
254.04082	3.0
268.12222	3.3
271.04926	3.4
276.05505	14.7
280.12082	0.9
295.16019	0.8
329.12900	1.4
344.15375	6.5
362.16498	1.2
387.70276	0.8
404.17389	92.1
405.17679	7.0
405.22366	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	404.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94472	2.1
60.43442	1.8
60.85337	2.0
62.10582	1.9
69.07042	2.1
69.28423	9.3
79.05507	3.3
82.46835	1.8
85.02912	6.1
90.60545	2.1
91.05491	5.6
95.04974	2.6
100.90980	1.8
105.07013	13.2
107.04992	2.8
107.08607	3.0
109.02882	4.7
109.06524	2.5
119.08591	15.7
121.10148	3.8
133.06487	4.8
143.08572	2.3
145.10095	15.4
147.11682	24.1
151.03873	2.7
156.09387	2.3
161.13297	2.7
165.05496	3.7
166.05988	2.2
171.11678	2.4
177.05542	2.5
178.05835	2.3
180.12796	1.7
189.12737	100.0
190.13065	5.1
207.13768	20.4
247.64560	2.0
289.17838	1.8
404.21176	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33765	3.4
59.05004	4.3
59.85531	3.4
67.05527	4.6
67.33302	3.6
69.17554	14.5
69.17966	9.2
71.05029	4.0
77.03927	5.9
79.05492	6.4
81.07072	9.3
85.02917	31.4
91.05494	6.7
93.07068	6.0
95.04975	9.6
95.08606	14.7
98.22755	6.4
105.07024	24.4
107.04988	12.1
107.08593	9.7
108.05293	5.6
109.02888	16.3
109.06538	11.8
109.10165	4.7
110.03223	5.1
111.08106	4.9
119.08608	28.0
121.10131	11.1
122.06769	4.2
123.08051	5.7
123.11693	20.7
127.03908	29.4
133.06506	4.9
135.08064	8.8
135.11751	4.4
139.03899	4.6
139.48772	3.7
145.10112	9.1
147.08075	5.5
147.11667	37.8
149.09634	10.5
151.03935	5.4
151.07616	7.5
156.09421	4.2
161.13124	4.9
163.03967	8.0
165.05527	8.5
166.05896	8.2
169.04945	13.3
171.11678	13.2
174.10249	3.7
177.05534	8.4
178.05811	6.7
179.07155	5.5
184.10626	3.8
189.12753	46.4
190.13139	4.3
197.08067	21.3
207.10204	8.0
207.13815	100.0
208.14162	5.8
209.08160	10.2
210.08469	10.9
222.20509	4.3
225.14912	5.0
242.08107	21.8
255.35532	4.7
404.09509	4.3
404.20435	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	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.9
59.04985	1.3
63.04791	1.1
65.03944	1.3
67.05517	2.2
69.03443	1.7
69.07075	1.4
71.04995	2.2
76.82877	1.1
77.03948	1.2
79.05493	4.6
81.07087	2.7
83.04971	2.7
85.02893	6.9
85.06536	7.9
88.26736	1.1
91.05474	13.4
93.07034	5.0
95.04967	7.9
95.08611	6.7
103.05460	1.3
105.07034	40.0
106.07362	1.5
107.04942	1.6
107.08604	12.3
109.06518	15.1
109.10131	1.8
113.05960	1.0
117.07033	3.7
119.08582	48.7
120.08904	1.5
121.10137	12.0
123.04383	3.2
123.08060	10.1
123.11691	3.3
129.06990	2.0
131.08574	10.9
132.09344	2.3
133.06454	1.8
133.10136	2.5
137.09581	8.9
145.10124	14.2
147.08029	2.8
147.11684	75.3
148.12032	2.8
149.09608	11.8
151.03915	12.1
151.07558	4.6
156.09311	2.7
159.11707	1.4
161.13283	4.0
162.62036	1.2
163.11186	6.0
165.05479	14.7
165.12744	5.0
171.11728	3.0
174.10455	1.3
189.12750	59.8
190.13071	3.1
193.04826	1.5
207.13802	100.0
208.14146	6.3
211.06035	1.7
225.07529	2.4
225.14816	5.4
242.08257	1.8
351.18109	2.1
356.78729	1.2
369.18997	1.8
387.20004	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	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.7
57.03435	1.1
57.07072	7.1
61.02912	1.2
66.59817	0.9
67.05507	19.5
68.50974	0.9
69.03424	4.8
69.07079	2.5
71.04996	1.8
71.45344	1.0
79.05480	2.0
81.07084	2.0
83.04990	1.8
83.08605	1.5
83.33466	0.9
85.02898	11.0
85.06547	18.6
91.03967	0.9
91.05483	2.6
93.07040	5.0
95.05009	2.2
95.08604	100.0
96.08946	3.1
97.02911	4.2
99.08092	11.8
105.07039	5.9
107.04987	1.4
107.08611	1.2
109.06549	1.2
109.10149	1.1
110.41898	0.9
113.06008	21.2
113.61707	0.9
119.04933	1.7
119.08582	21.5
119.09423	1.3
121.10162	5.3
123.04449	1.2
123.08051	10.9
127.03932	3.5
127.07555	37.0
133.10149	2.6
135.08089	2.2
135.11676	5.1
137.06026	2.6
137.09521	1.1
137.13245	1.0
145.04985	2.5
147.04433	1.6
147.11708	1.3
148.43712	0.9
149.09665	1.0
151.03908	1.5
151.07561	4.1
154.34036	1.0
161.13266	17.9
162.54422	0.9
163.03880	6.5
163.06018	1.3
163.11176	3.6
165.05470	1.7
167.07021	1.8
177.12842	1.2
179.14307	8.1
181.04945	2.0
189.12752	3.4
203.07030	1.1
207.13806	56.8
208.14174	3.3
215.09134	3.5
225.14877	2.1
242.08110	1.4
330.14615	0.9
358.36356	1.1
369.18808	1.6
373.96793	1.0
404.13403	1.5
418.96695	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.9
55.05511	23.0
57.03436	19.2
57.07072	2.7
57.18060	2.1
65.03907	2.4
67.05502	64.6
69.03453	2.9
69.07069	18.6
69.44799	6.1
71.04997	3.4
71.08629	21.1
79.05482	39.7
81.03416	4.7
81.07056	63.9
83.04969	15.1
83.08614	17.4
85.06572	5.3
91.05476	26.7
93.07046	50.8
95.04975	13.1
95.08606	26.3
97.06531	14.8
97.10186	7.4
99.08093	26.8
101.51831	2.4
105.07038	18.8
107.08602	26.2
107.59676	2.0
109.06532	7.0
109.10173	8.6
109.96921	2.0
111.08089	5.3
111.18967	2.1
111.49580	2.1
113.67995	2.2
117.07018	11.0
119.08591	9.8
121.10153	16.2
123.08071	2.7
125.09634	6.6
128.40836	2.0
129.06969	3.9
131.08554	12.0
133.10103	13.8
135.08020	2.6
135.11723	9.0
139.07465	2.9
139.11183	3.9
145.10107	6.6
147.11734	6.1
149.13263	19.2
151.11169	21.1
157.10175	2.5
159.11700	21.4
161.13251	14.2
163.11163	12.6
165.12648	2.2
173.11786	6.0
175.14883	4.1
177.12740	24.8
179.14334	8.1
189.11229	7.7
195.13927	8.6
210.16823	2.4
216.14662	4.4
227.12770	5.1
229.14326	4.5
241.19492	3.6
251.16473	4.1
253.18004	3.8
259.20615	10.8
267.37125	2.4
269.17496	100.0
270.17795	4.4
277.21625	18.6
351.25262	34.6
368.22992	5.0
369.26602	3.0
374.09399	3.2
386.24048	4.4
401.38718	2.8
404.20651	4.0
404.25278	3.4
405.22202	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	404.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94541	3.0
55.01880	6.4
55.05502	12.7
57.03436	14.1
57.07078	9.2
62.57302	3.1
67.05499	43.0
69.07059	12.6
71.08641	5.2
71.64283	3.0
73.40152	3.5
79.05495	32.3
81.07062	47.9
83.04974	14.0
83.08627	8.9
85.06526	4.6
87.53365	3.2
91.05481	20.0
93.07042	37.0
95.04996	6.4
95.08604	22.5
97.06535	8.8
97.10162	10.2
99.08076	6.6
104.99284	8.2
105.07026	9.5
107.08592	20.8
107.13695	3.2
109.06540	5.1
109.10162	7.3
111.08083	3.7
117.07033	9.1
119.08585	8.5
121.10170	9.0
127.11183	4.7
131.08563	10.2
133.10141	7.1
135.11743	4.2
149.13255	13.0
159.11696	10.0
161.13184	5.5
177.12711	7.0
194.15457	3.4
195.13849	8.2
198.14940	5.0
262.98062	3.7
269.17477	100.0
270.17853	9.0
275.17841	8.9
277.21429	5.6
317.78854	3.8
351.25192	12.2
374.09351	6.4
375.06769	4.1
387.22925	7.0
389.98352	3.7
404.14212	6.4
404.20471	12.2
405.22446	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	404.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	7.8
55.05517	21.3
56.96567	31.9
57.03433	21.3
57.07059	4.5
67.05505	72.2
69.03445	5.0
69.07049	19.0
69.55246	9.4
69.55653	6.4
71.04988	6.7
71.08630	14.3
75.56586	4.6
79.05489	40.9
81.07056	62.7
83.04961	14.5
83.08627	19.0
88.06485	3.2
91.05473	28.4
93.07043	70.6
95.04942	9.3
95.08606	34.7
95.86211	3.6
97.06525	8.0
97.10155	11.1
99.08096	18.0
104.89517	3.5
104.99272	5.9
105.07014	18.5
107.08583	29.7
109.06516	5.3
109.10132	10.0
111.08112	7.0
114.55625	3.3
117.07032	10.2
119.08598	9.5
121.06479	7.8
121.10136	16.7
123.08096	4.8
125.09615	10.2
126.38734	3.8
131.08553	13.0
133.10150	14.1
135.08070	3.9
135.11711	8.0
137.31213	4.7
143.08594	5.7
143.87726	3.5
145.10123	6.0
147.11613	6.1
149.13240	22.4
151.11182	14.4
152.96706	4.2
157.10095	4.9
159.11699	22.9
161.13248	11.6
163.11201	7.1
164.16583	4.3
175.14780	5.1
177.12758	20.6
179.14307	9.1
189.11284	7.1
195.13828	9.8
227.12715	8.7
236.05905	4.4
243.08990	5.4
253.11180	4.5
259.20551	8.4
269.10669	5.9
269.17474	100.0
270.17990	5.3
277.21585	17.2
281.10767	4.0
307.12122	8.6
317.10593	14.7
325.12869	5.0
335.11548	8.7
345.13705	5.9
351.25195	31.4
369.24899	4.4
387.25558	4.8
404.20663	15.5
404.25296	7.1
405.21478	5.5
405.26279	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	405.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	1.1
67.05483	2.9
69.03429	1.9
69.21230	3.7
69.37989	0.7
70.11470	0.7
71.01342	0.9
71.57366	0.7
72.78085	0.7
74.51357	0.7
77.03932	1.4
79.05495	1.8
80.24581	0.7
81.03423	1.3
85.02910	7.1
91.05476	2.9
95.04968	38.4
97.02886	2.8
98.22770	1.5
105.03392	0.9
105.04494	0.7
109.06512	0.8
119.04930	5.5
123.00794	3.2
123.04429	15.4
137.05968	2.5
141.01900	0.9
141.58328	0.7
145.04918	0.8
147.04385	3.2
151.03902	90.8
152.04205	1.5
165.05475	100.0
166.05774	2.3
175.03929	2.3
183.06502	2.0
193.04962	14.8
193.06602	1.4
207.06535	3.1
211.06024	9.7
225.07565	16.3
243.08589	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01871	1.6
55.05496	0.8
55.24594	0.6
56.05026	0.9
57.03427	1.9
58.99583	1.5
61.02915	1.6
65.03961	0.7
67.05502	1.9
68.05024	0.9
69.03426	4.6
69.07066	0.7
69.28046	3.6
69.62754	0.6
71.04989	2.5
76.02234	3.5
77.03922	1.7
79.05482	2.1
81.03419	4.0
81.07050	5.4
83.04958	0.9
84.04498	5.1
85.01142	0.8
85.02904	10.6
86.00647	0.9
86.99062	1.3
87.02686	1.3
88.02216	0.8
91.05481	2.1
93.07042	1.7
95.01389	0.8
95.04970	39.9
95.08571	0.8
97.02896	7.9
97.06516	1.9
98.09683	2.6
99.04449	0.9
102.05547	1.2
105.04511	0.9
105.07041	1.4
107.04936	1.7
107.08561	0.8
109.02880	2.0
109.06529	4.8
111.04424	2.1
113.04252	1.3
113.06000	1.3
116.01669	3.4
119.04942	1.4
121.02821	0.8
121.06482	1.0
123.00799	5.2
123.04434	21.6
125.02354	77.6
126.02666	1.4
127.03898	2.2
130.04988	1.6
130.06879	0.8
131.08560	2.0
137.05957	7.5
139.03905	18.2
141.01877	3.0
141.05473	5.2
144.01093	1.5
145.04942	1.7
145.10176	0.8
147.04408	2.0
149.05988	1.1
149.09541	1.3
151.03905	37.7
152.04208	0.8
155.07030	2.7
156.08423	3.5
156.10216	2.0
157.06818	1.7
162.02264	3.1
165.05478	18.8
167.03415	10.9
167.07147	0.8
169.04971	6.7
174.09483	1.5
175.03964	1.0
179.04875	1.8
183.06560	2.1
191.10649	0.8
193.04907	4.6
207.06487	0.8
209.11742	3.5
211.06012	100.0
212.06393	3.4
216.06923	1.1
229.07062	18.8
243.08643	20.1
244.09280	1.0
254.31349	0.8
259.11102	16.2
331.12958	0.9
343.16470	2.8
405.16574	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	405.1394
Annotation	Secologanoside 7-methyl ester
Peak:m/z	Relative Intensity
53.03941	2.4
55.01879	2.0
57.03437	5.2
60.22234	0.8
61.02916	2.5
64.40929	0.8
67.05493	2.7
69.03073	1.1
69.03433	10.8
69.07063	0.9
69.15763	3.8
69.16179	1.4
70.06596	1.0
71.01363	1.2
71.04990	1.7
72.08130	1.4
73.02914	1.8
77.03913	1.5
79.05495	1.3
79.89423	0.8
81.03423	6.7
81.07059	1.2
83.04940	1.5
85.02906	29.6
85.06525	1.2
86.09695	1.0
91.03948	1.6
91.05487	1.1
93.07048	1.0
95.04968	51.4
97.02892	15.4
99.04445	3.3
103.03937	2.0
105.04489	0.9
105.07120	0.9
107.04977	1.4
109.02872	10.7
109.06506	2.0
111.00798	1.8
111.04431	2.7
111.08102	0.8
117.05476	1.5
119.04897	1.5
123.00829	1.9
123.04428	24.7
125.02351	40.5
126.03169	5.7
127.03919	10.7
131.04912	1.5
137.05984	7.2
137.19534	0.8
139.03894	19.4
141.01820	1.0
141.05467	24.4
145.04974	11.3
147.04388	2.6
149.05956	1.8
151.03902	87.4
152.04187	1.6
155.07002	2.0
155.11778	1.6
163.06039	1.6
165.05476	10.3
167.03392	44.8
167.07077	1.3
168.03723	1.2
169.04964	51.5
170.05399	1.5
175.03938	1.7
177.05499	1.2
183.06535	1.6
185.04439	1.9
193.05000	10.4
203.12236	1.0
209.08070	1.7
211.06009	100.0
212.06375	2.8
225.07655	1.2
227.09116	2.8
229.07065	26.2
243.08670	15.1
373.12915	0.9
405.16995	2.7
406.18616	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.01852	0.9
55.05499	1.2
56.05017	1.2
57.03429	2.0
58.99580	1.9
61.02922	1.5
67.05490	1.6
69.03435	3.2
69.27142	2.9
71.04989	2.4
76.02222	3.2
77.03916	1.1
78.07105	0.6
79.05492	2.9
81.03410	1.9
81.07056	6.2
83.04992	1.1
84.04496	5.3
85.01129	0.8
85.02914	8.6
86.99043	1.3
87.02676	1.7
87.04427	0.7
91.05470	3.1
92.71455	0.7
93.07026	2.7
95.04967	31.3
97.02882	6.9
97.06525	1.3
98.09682	2.7
98.22716	1.4
99.04462	1.6
99.08073	1.1
102.05534	1.1
105.04498	1.4
105.07027	3.6
107.01317	0.8
107.04943	2.8
107.08569	2.5
109.02871	2.7
109.06519	4.8
111.04465	1.1
112.04022	0.8
113.04192	1.3
113.05987	1.1
116.01667	4.9
117.07037	0.9
119.04900	1.1
119.08572	2.8
121.06487	2.5
121.10140	1.9
123.00800	3.5
123.04423	17.1
123.08044	0.9
125.02351	66.4
126.02688	1.5
127.03910	1.8
127.07517	0.8
130.04994	1.8
130.06848	0.9
130.13374	0.6
131.08557	10.3
133.10175	1.3
135.07994	1.4
137.05978	5.8
139.03894	14.3
139.05612	0.9
139.11232	0.7
141.01842	3.3
141.05490	3.4
142.03242	0.9
143.08464	0.7
144.01128	1.9
145.04927	1.4
145.10100	2.6
147.04384	2.0
147.08020	1.4
147.11694	1.3
149.02313	1.0
149.05930	1.0
149.09590	3.9
151.03897	29.6
153.05464	0.8
155.07018	2.5
156.08423	3.1
156.10210	2.5
157.06825	1.6
162.02203	5.5
163.11159	1.9
165.04091	0.8
165.05484	15.6
167.03383	9.4
169.04945	6.7
171.11618	1.1
173.13234	1.3
174.09494	2.8
175.03813	1.4
175.14804	2.2
179.04782	1.8
183.06531	2.3
189.12741	2.3
190.13066	1.5
191.10667	3.2
191.14287	1.1
193.04990	4.4
207.13837	2.3
208.14021	0.8
209.11734	15.4
211.06004	100.0
212.06329	2.8
213.07544	0.8
216.06937	1.0
225.07542	1.6
229.07060	22.2
230.07405	0.8
243.08638	22.4
244.08968	0.9
259.11118	27.8
313.12067	1.0
331.13034	1.9
405.16107	2.1
406.16275	1.3
425.48828	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54480	3.9
55.05503	13.9
55.05750	4.0
57.03403	4.2
62.95827	3.9
67.05499	16.2
69.07058	17.4
79.05486	19.2
81.03414	5.2
81.07046	17.4
83.08598	6.5
85.51070	4.2
87.87631	3.7
91.05473	19.5
93.07038	17.8
95.08587	13.8
104.99275	19.1
105.07034	16.7
107.08561	9.6
109.06491	5.5
109.10199	7.7
111.04398	6.2
117.07026	8.6
119.08575	14.6
121.10153	12.0
129.01613	10.7
129.06995	6.2
131.08568	10.9
133.10121	11.8
139.37234	4.3
143.08530	9.6
145.10098	10.5
157.10114	9.0
159.11731	6.4
209.11440	13.2
247.00291	4.7
262.98123	7.9
263.03464	4.9
299.19690	13.3
301.21909	6.2
324.30347	4.1
369.24280	21.5
387.21005	32.7
387.25342	18.2
405.21796	100.0
405.26422	42.2
406.21802	7.9
419.40619	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	405.2248
Annotation	Met Val Arg
Peak:m/z	Relative Intensity
55.05489	0.8
63.34573	0.7
67.05498	1.2
67.87956	0.7
69.07072	0.9
70.84493	0.9
79.05507	1.6
81.07046	2.2
84.10425	0.6
91.05502	1.2
95.08598	1.5
107.08567	0.9
109.10132	0.9
123.11720	1.0
135.11620	0.8
137.06010	1.1
138.76744	0.8
140.27928	0.8
145.10085	0.8
149.06090	0.8
166.06001	0.7
190.75177	0.7
249.71204	0.8
269.13806	1.2
325.50467	0.8
375.76520	0.7
405.22455	100.0
406.22769	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	405.2249
Annotation	Met Val Arg
Peak:m/z	Relative Intensity
55.05506	0.5
77.88811	0.4
79.05520	0.6
81.07069	0.4
95.08584	0.5
104.99282	0.5
105.06956	0.4
112.44423	0.3
125.60540	0.4
172.39682	0.3
193.04736	0.6
221.04152	1.7
228.00316	0.4
262.98215	0.8
269.10638	0.9
291.08395	6.2
292.08917	0.5
307.11548	1.2
327.91592	0.4
331.18716	0.5
335.10895	3.0
372.00909	0.4
373.12643	0.9
387.31503	0.4
405.15210	19.6
405.22418	100.0
406.15521	1.6
406.22827	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	405.2248
Annotation	Met Val Arg
Peak:m/z	Relative Intensity
60.99412	0.4
78.56878	0.4
81.07043	0.9
93.07059	0.5
93.72417	0.4
96.99139	0.4
98.97588	2.3
105.07027	0.5
116.98588	1.0
119.08525	0.6
137.06026	0.6
138.06291	0.5
197.06087	0.5
235.02753	0.8
236.03120	0.7
253.03778	0.8
254.04198	0.8
303.01215	0.5
320.44580	0.4
331.19083	0.5
405.22437	100.0
406.22760	6.9
406.35117	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.9
56.31569	0.4
60.08602	0.4
67.05476	0.6
67.46729	0.4
69.07044	0.9
69.47057	1.4
79.05475	0.5
81.07052	1.3
91.05476	1.2
93.07034	1.2
95.08586	0.7
104.99292	1.5
105.07020	0.9
107.08580	0.7
109.10141	0.5
119.08636	0.7
121.06516	0.6
121.10130	0.6
123.08072	0.8
133.10135	0.6
135.08054	0.6
137.09677	0.4
145.10112	0.5
214.05516	0.4
262.98029	0.6
323.14410	0.5
327.46487	0.5
331.26303	1.9
332.26376	0.5
369.24042	0.8
370.71432	0.4
387.25259	0.5
405.22437	100.0
406.22720	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	405.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	1.6
62.29403	0.8
64.49107	0.8
67.05495	0.8
69.03443	0.7
69.07041	1.1
69.90122	2.1
79.05478	1.4
81.07047	1.4
83.08614	0.8
91.05451	2.0
93.07063	1.1
95.08608	1.6
104.99251	1.2
105.07004	1.6
107.08585	2.3
109.10106	0.8
117.68963	0.6
121.10108	0.7
123.08044	0.9
133.10085	1.2
179.14317	1.2
214.46402	0.6
243.09073	1.3
262.97937	1.0
267.71500	0.7
307.15005	2.3
313.41595	0.7
315.19385	6.6
331.26208	1.8
369.24130	3.6
387.21362	38.2
388.21890	3.2
400.35971	0.7
405.22272	100.0
406.22598	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49463	0.6
55.01864	4.1
55.05508	7.4
57.03433	4.3
57.07069	3.1
67.05495	4.1
69.07066	9.9
69.44919	2.2
71.08617	2.2
79.05517	2.7
81.07062	5.0
83.04959	0.5
83.08618	7.3
91.05457	1.1
93.07051	3.9
95.08609	2.6
97.06487	1.2
97.10156	4.8
98.22746	0.8
105.07000	0.9
107.08573	2.6
109.10156	1.5
111.08065	0.9
111.11734	1.3
113.00010	100.0
119.08559	1.3
119.75377	0.6
121.10166	3.9
123.11691	1.3
125.09583	0.5
131.01126	0.7
135.11684	2.2
139.01619	0.9
144.47154	0.5
145.10080	0.6
149.13228	1.4
151.01534	0.6
163.63345	0.5
169.02605	88.2
170.02919	1.4
173.13295	0.9
189.78664	0.6
219.21040	1.6
225.34097	0.5
237.22148	5.0
280.71548	0.6
389.56253	0.6
405.29633	3.0
405.34134	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.0
57.07061	0.7
67.05502	1.9
68.75989	0.7
69.03414	0.9
69.07049	1.2
81.07054	1.9
83.08637	0.9
91.05470	0.9
93.07041	2.0
95.08610	2.0
109.10165	1.0
113.00026	0.8
119.08605	0.7
121.10129	1.4
169.02597	1.1
191.84627	0.7
219.17609	0.8
223.12984	1.7
232.83282	0.7
272.96768	0.8
312.78137	0.7
319.18771	1.4
341.20694	0.8
341.24722	1.0
353.66205	0.8
387.25104	1.3
405.26083	100.0
406.26495	7.3
406.31638	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
63.30053	0.8
67.05506	1.7
69.07056	1.0
69.26328	2.4
75.17234	0.8
77.11095	0.8
79.05523	0.9
80.94886	0.7
81.07050	1.7
83.08644	0.8
87.20382	0.7
91.05463	0.8
93.07026	1.3
95.08607	1.7
105.07097	0.9
107.08623	1.7
109.10188	1.0
113.00034	0.9
116.69944	0.6
169.02605	1.6
173.09404	0.7
177.96735	0.8
223.13019	1.5
319.18835	1.7
405.26108	100.0
406.26431	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	405.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.4
59.97281	0.6
63.93890	0.5
67.05512	1.6
67.76331	0.7
69.07069	0.9
69.21352	3.1
72.96196	0.5
75.39764	0.5
77.26515	0.6
79.05492	1.8
79.57922	0.6
81.07068	1.4
83.08633	0.8
91.05478	1.0
93.07049	1.3
95.08600	1.4
105.07016	0.7
107.08586	0.8
109.10194	0.7
111.08112	0.6
113.00029	7.5
119.02435	0.6
119.08566	0.8
121.10147	0.6
129.25000	0.6
135.08034	0.5
135.11708	0.8
157.10170	1.2
159.11610	0.7
169.02615	6.1
193.11964	0.6
205.28600	0.5
214.47804	0.5
223.13197	0.9
245.63142	0.6
253.14110	17.2
253.16600	1.2
254.14426	0.8
289.17755	4.5
319.18726	4.6
387.21707	1.0
405.26111	100.0
406.26288	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.5
53.03934	5.1
55.01873	5.3
55.05510	51.1
55.05779	3.0
57.03442	2.2
57.07072	4.3
57.66751	1.8
65.03941	5.2
67.05501	65.9
69.06707	3.0
69.07067	43.3
70.06606	4.6
71.04991	7.9
71.08640	2.0
77.03938	2.2
79.05038	3.7
79.05489	61.6
81.03423	2.4
81.07052	73.4
83.04971	8.9
83.08615	43.5
85.06554	6.9
88.07613	3.1
91.05475	80.6
93.06445	3.1
93.07040	63.9
95.04967	13.4
95.08018	3.4
95.08599	50.7
97.06520	8.8
97.10168	11.1
99.08091	3.4
102.09178	2.0
103.05446	3.5
105.04522	2.8
105.07022	69.6
107.04957	9.6
107.08576	29.7
109.06537	5.9
109.10150	11.6
111.08074	12.3
115.05428	9.7
116.06286	3.1
116.07056	2.0
117.07016	58.6
119.04920	2.6
119.08580	31.8
121.06499	8.1
121.10152	26.6
123.08070	7.9
125.09625	4.1
128.06233	11.4
129.06996	65.2
130.07770	1.9
131.04907	2.3
131.08560	100.0
132.08936	3.4
133.06494	7.4
133.10124	19.3
135.08064	6.3
135.11662	10.5
137.09573	4.0
139.11174	7.2
141.06949	22.9
141.09090	4.3
142.07727	5.6
143.08556	50.5
144.09367	2.1
145.06470	7.3
145.10114	33.2
147.08046	7.7
147.11679	8.4
149.09602	9.6
149.13237	4.8
153.07007	4.4
154.07813	4.4
155.06015	2.2
155.08551	33.3
156.09206	2.3
157.06485	3.1
157.08775	3.8
157.10095	22.8
159.08073	7.0
159.10422	3.1
159.11696	16.1
161.09613	3.6
161.13235	3.6
163.11192	5.3
165.06989	4.8
166.07722	2.5
167.08597	15.5
169.10153	18.1
171.08023	3.2
171.11716	14.8
173.09605	3.8
173.13277	5.5
175.09641	8.0
175.11200	5.2
177.12756	7.8
179.08534	6.2
181.10089	17.8
182.10452	2.2
183.11713	15.4
185.13243	11.5
187.11249	5.2
193.10179	4.8
195.11702	18.1
197.13258	9.1
199.14772	3.9
201.12817	3.0
203.12729	5.6
203.14429	2.0
205.12196	3.5
207.11736	5.2
207.13799	3.1
209.13239	7.8
211.11099	2.9
211.14830	7.1
213.12766	5.9
213.16344	3.9
215.14404	2.9
217.06020	1.8
218.50237	2.2
221.13271	17.4
221.15251	3.5
223.14833	25.1
224.15234	1.9
225.12708	2.8
225.16455	4.1
225.54997	2.0
227.14299	3.4
229.15877	4.0
233.13287	3.3
233.15355	20.6
235.14790	8.4
237.16353	5.1
239.14288	13.0
241.15939	5.6
243.13783	2.6
245.15440	2.9
247.16946	5.4
249.16484	3.2
253.15863	8.6
256.26340	7.5
257.15381	13.2
259.16962	8.7
261.18524	2.7
267.17426	2.6
271.16849	11.1
275.16449	3.4
285.18616	4.4
300.28903	5.8
305.22488	3.5
315.21033	6.6
323.23749	7.6
333.22025	20.1
341.24716	17.3
351.23221	58.0
352.23608	5.2
359.25900	5.3
369.24265	35.7
377.26712	3.8
387.25269	56.6
388.25574	4.4
405.22015	5.2
405.26355	15.4
406.35172	23.7
409.56619	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	406.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.9
55.01870	3.2
55.05503	2.1
56.05046	5.6
56.92921	0.8
57.03441	5.5
58.99585	12.1
61.54696	0.8
67.05518	1.2
68.05029	1.1
69.03436	1.3
69.07054	3.4
71.04997	2.5
73.01132	1.1
74.00655	2.2
76.01810	1.3
76.02229	20.4
76.04002	2.3
79.05486	7.5
80.05032	0.8
81.07059	17.2
83.06113	1.4
83.44285	0.7
84.04021	1.5
84.04505	24.6
85.01131	4.0
85.02899	3.6
86.00664	3.8
86.99046	5.3
87.02679	5.6
88.02200	1.7
91.05493	3.4
93.07036	4.5
95.04966	7.1
95.08592	4.7
96.05292	2.6
97.01125	1.7
97.02895	1.7
97.06509	3.0
98.09688	11.6
99.05576	1.3
99.08105	5.4
102.05566	4.9
103.19138	0.8
105.07035	4.0
107.04950	10.2
107.08588	5.5
109.02866	1.1
109.06509	2.9
110.09692	1.4
111.08108	0.8
112.03951	4.7
113.04232	4.7
114.03759	0.9
115.05772	1.3
116.01684	19.5
117.07024	0.9
119.08588	1.8
121.06543	4.9
121.10134	3.0
122.09692	1.7
123.04431	2.8
123.08103	2.1
124.04742	1.1
125.02338	9.0
126.02658	3.7
127.05759	1.5
129.05797	0.9
129.06561	4.0
130.05017	8.7
130.06891	4.4
130.08643	1.6
131.08572	21.4
131.09567	1.0
133.10097	1.7
137.06023	1.2
139.03928	1.0
139.05740	1.3
142.03212	1.9
144.01126	8.7
145.06070	1.3
145.10110	6.4
147.11760	1.5
149.05984	1.4
149.09613	8.8
151.03922	9.0
152.04253	3.0
153.05466	1.9
156.08427	20.2
156.10194	11.1
157.06837	7.0
160.11003	1.0
162.02213	22.1
163.11195	3.6
165.05484	1.5
166.05739	1.7
167.03363	1.1
173.13222	1.6
174.09474	10.2
177.05504	1.9
179.04872	9.0
189.03229	1.4
191.10680	8.0
191.14311	1.3
195.06529	4.3
207.90169	0.9
209.11723	35.5
209.15347	2.3
210.11375	2.7
211.05978	6.8
212.06364	9.7
213.07613	3.4
216.06880	6.2
227.16400	3.3
229.07050	1.6
230.07368	2.6
233.05836	1.5
242.08220	1.1
243.08592	1.1
244.08965	2.3
259.11121	100.0
260.11652	4.2
277.12253	0.8
285.12708	2.1
308.08957	1.0
313.12170	3.4
331.13226	5.3
376.23120	0.9
388.15491	2.0
406.16534	4.8
425.46088	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33321	62.3
69.33725	24.4
71.32761	11.8
76.77215	12.7
94.57082	14.2
95.04968	22.3
107.04955	100.0
118.83824	13.3
165.05476	65.3
177.05449	27.7
200.55443	15.5
208.13443	21.9
209.08154	15.1
227.09236	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	406.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01864	4.0
55.05510	1.9
57.03430	2.9
58.99583	1.5
59.05000	3.1
59.58864	1.4
61.02914	1.6
62.39750	1.3
63.95821	1.3
67.05476	2.7
69.03429	12.9
69.07064	3.2
69.37953	1.5
71.04990	15.5
73.02920	3.7
76.02233	3.1
79.05479	4.8
81.03409	13.0
81.07063	3.4
83.04971	2.4
84.04499	5.5
85.02912	18.0
85.06532	4.5
87.02724	1.2
87.04465	3.4
91.05480	7.1
93.07053	9.5
95.04966	22.5
95.08605	2.3
97.02894	13.1
97.06526	5.1
98.09679	2.0
99.00828	5.2
99.04469	2.4
99.08099	2.3
103.05449	6.3
105.07021	7.5
107.04959	3.8
109.02872	18.2
109.06502	4.5
111.04441	6.3
115.03932	5.7
116.01675	3.4
119.04971	1.5
119.08573	4.9
119.62875	1.2
121.06494	16.2
123.00735	2.1
123.04417	13.0
124.03893	1.3
124.07590	1.6
125.02340	5.8
125.05979	4.7
127.03915	12.2
130.04913	1.9
131.03401	10.4
131.04913	4.3
133.02814	1.7
133.04987	8.9
133.06531	3.4
133.10161	7.4
139.03899	80.2
139.07613	1.6
140.04301	1.3
140.07050	1.5
141.05463	26.6
145.04971	3.5
145.06107	1.3
147.04353	2.4
149.05977	43.0
150.06386	1.8
151.03876	6.9
151.07587	8.9
153.05415	2.7
155.03381	19.7
156.03804	1.3
156.08420	2.3
157.04959	4.1
159.04431	5.4
162.02133	2.5
165.05489	4.8
167.03377	2.0
167.07027	16.3
173.13293	2.4
174.09557	1.6
176.64622	1.5
177.05482	31.9
181.04985	1.9
181.08601	19.5
183.06514	38.6
191.07034	5.1
191.14337	2.0
195.06516	100.0
196.06973	2.8
202.61755	1.4
209.08093	19.3
209.15358	3.8
226.15259	1.7
227.09135	71.4
228.09445	2.1
259.11142	20.6
369.09235	1.6
374.13000	1.9
406.11121	1.9
406.16568	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	406.19
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71854	2.3
56.96564	100.0
59.85454	2.1
69.07059	8.4
71.95259	7.4
72.08157	4.2
76.22018	2.4
80.94866	4.5
88.07594	2.1
89.82454	2.2
91.05463	3.2
92.20128	2.3
93.07021	4.4
98.43861	2.3
98.97581	3.2
105.00166	3.4
108.14830	2.3
110.97564	3.5
115.15640	2.1
115.97884	2.3
116.98631	2.7
127.61041	2.3
128.98601	10.0
132.10182	8.0
133.10104	3.1
137.02710	5.6
141.02164	3.1
146.99637	4.6
149.09607	5.6
151.00626	2.5
151.04338	3.0
155.03845	4.3
157.01677	3.9
167.03824	5.3
169.01736	4.9
169.05418	4.5
171.03265	4.9
173.04936	4.0
181.05365	6.5
183.03323	10.5
185.04826	9.4
187.02769	3.8
189.04373	5.0
197.04823	4.9
199.06419	28.2
201.04312	6.3
201.08022	4.2
203.05869	10.8
208.06396	2.2
211.06396	5.2
212.03642	3.0
213.08011	5.1
215.05852	4.3
217.07442	33.0
219.09038	3.9
222.08124	3.7
223.06375	5.3
227.05812	3.8
229.07431	27.1
235.06514	5.0
235.08636	7.5
240.08966	3.1
241.07433	5.7
247.08470	15.7
251.09656	4.8
252.09102	4.9
253.07463	10.4
255.09242	3.1
256.26346	3.2
267.08990	9.0
269.10632	4.8
271.08475	8.2
281.68408	2.5
285.10031	6.0
294.09430	2.8
314.30545	10.4
329.14258	22.0
347.15302	27.7
365.16254	4.8
406.35135	26.4
407.23816	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	406.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.5
58.97300	1.4
63.28995	1.6
64.74036	1.5
69.07053	3.4
70.73597	2.0
71.04980	5.8
73.90544	1.1
79.05492	8.2
79.92312	1.1
81.07060	1.5
82.00670	1.3
83.04956	1.4
85.02894	2.0
91.05464	7.2
93.07042	9.5
97.06509	1.7
105.07057	10.2
107.04975	4.1
107.08592	15.3
109.06522	1.7
119.08557	2.3
121.06496	12.7
121.10128	6.6
131.08565	62.3
135.08015	1.9
142.47691	1.2
145.10138	13.7
147.08017	2.6
147.11668	2.2
149.06053	1.4
149.09622	23.2
153.05450	4.7
163.11212	8.4
165.09126	1.6
173.09579	2.1
179.05542	1.3
191.10686	21.9
195.06500	1.8
209.11723	100.0
210.12019	5.1
212.91757	1.3
315.70227	1.3
354.09909	1.5
406.23209	1.9
421.87427	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.6
55.05509	1.5
57.03428	2.1
58.99585	2.3
67.05507	1.6
69.07066	3.1
69.90974	0.9
69.91318	2.4
71.04993	6.5
76.02215	3.1
76.02605	0.8
79.05499	8.4
81.03438	0.8
81.07043	4.2
83.04991	1.0
84.04503	4.5
84.61506	0.9
85.02891	1.3
86.00666	1.5
86.99019	0.8
91.05476	5.2
93.07053	6.5
95.04959	1.1
95.08602	1.0
97.06525	2.4
98.09705	1.7
98.23450	1.2
99.08086	0.9
102.05514	1.0
105.07030	7.3
107.04955	2.6
107.08591	13.0
112.03995	1.2
113.04240	1.0
116.01686	4.7
117.07011	1.7
119.08595	1.5
121.06493	10.6
121.10132	7.6
123.08078	1.4
125.06031	1.3
130.05019	2.0
130.06866	0.9
130.07782	1.0
131.08562	55.5
132.08888	1.3
135.07933	0.8
135.11658	0.8
136.81912	0.9
137.05972	1.0
144.01169	1.0
145.10109	12.8
145.86894	1.0
147.08049	1.8
149.06029	2.1
149.09616	24.0
153.05453	2.2
156.08427	3.3
156.10205	1.9
157.06842	1.7
162.02197	4.7
163.11183	8.5
165.09116	2.4
167.07072	1.9
167.10684	1.1
171.35992	1.0
173.09589	1.3
174.09480	2.7
179.04860	1.6
191.10648	19.1
192.10918	1.0
209.11719	100.0
210.12007	3.3
216.06973	1.1
259.11121	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	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01862	0.8
55.05510	20.5
58.25285	0.6
59.04971	0.9
67.05493	2.9
69.03421	3.4
69.07058	2.1
69.77773	1.5
71.04973	0.9
79.05472	2.4
81.03416	1.1
81.07060	4.9
83.04976	17.5
83.08617	17.1
85.02892	4.3
85.06517	1.2
90.67580	0.7
91.05499	1.7
93.07054	4.6
95.04966	2.8
95.08599	3.3
97.02879	0.9
97.06536	4.1
97.10139	2.0
99.96523	0.7
105.07020	4.2
106.02889	0.7
107.08598	10.6
109.06482	3.3
109.10159	9.6
111.08100	4.1
113.09599	0.6
119.08578	4.2
120.08087	1.4
121.08484	0.6
121.10144	3.7
123.11677	4.6
124.07568	1.0
125.09620	4.8
127.03918	1.2
131.08548	3.4
133.10129	6.4
135.08025	2.6
135.11699	0.8
137.05994	1.0
138.09140	2.0
139.09473	1.3
145.04973	1.1
145.10097	1.4
147.11652	3.5
149.09538	0.9
149.13249	3.3
151.11176	21.7
152.11533	1.0
153.09120	1.8
161.11246	0.7
163.14809	1.6
167.07022	1.3
167.14313	29.1
168.07402	1.3
168.14653	0.9
173.13268	6.1
191.14279	7.9
204.53268	0.7
208.13261	0.9
209.15358	100.0
210.15706	5.3
220.15555	0.7
227.16443	2.7
248.54482	0.7
406.17865	1.3
407.18292	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14335	2.9
55.55470	2.8
57.03436	5.9
62.04466	2.4
66.04163	2.5
67.05499	3.1
69.03439	5.4
69.07072	6.2
71.00835	3.1
79.05486	5.6
81.07054	9.2
83.08627	5.3
85.02882	14.1
90.36030	2.4
91.05479	4.6
93.07053	7.6
95.04976	11.4
95.08611	11.0
97.06535	18.0
99.04471	3.2
99.08106	4.1
105.07020	14.1
106.02901	3.5
107.08595	16.3
109.06520	36.4
109.10146	12.9
115.07574	12.7
119.08604	9.3
121.10137	34.1
123.08059	4.1
123.11730	3.9
127.03936	3.4
127.07468	3.1
131.08543	7.8
133.10106	39.5
135.08122	4.8
135.11681	3.2
138.06174	2.6
145.10066	5.8
147.11682	29.8
149.13266	6.8
151.11153	6.7
153.09134	10.6
163.14824	10.5
165.12767	4.1
173.13280	25.2
191.14285	50.0
191.15938	3.6
195.53716	3.0
208.13269	2.7
209.15372	83.7
227.16403	100.0
228.16704	4.4
293.70889	2.8
333.07315	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12917	1.6
51.96173	1.4
55.01869	2.5
55.05508	4.4
56.05035	5.1
57.03420	4.7
57.46716	1.6
58.99591	9.6
67.05481	4.4
69.03435	10.1
69.07074	8.9
69.48071	5.8
69.48475	3.9
71.04994	2.8
76.02220	19.2
76.04015	1.9
77.03954	1.7
79.05481	11.3
79.78033	1.8
81.07054	19.5
83.08616	3.1
84.04499	21.6
85.01144	3.2
85.02908	6.4
86.00639	4.9
86.99045	5.4
87.02698	5.3
91.05474	8.2
93.07030	7.5
95.04948	9.0
95.08609	6.4
95.67107	1.9
97.02865	1.9
97.06528	5.1
98.09681	12.2
99.08092	3.9
102.05512	4.5
105.07023	16.6
107.04950	8.1
107.08611	11.5
109.06472	2.7
109.10157	1.8
110.09668	2.8
112.03957	2.0
113.04219	5.2
115.05622	1.9
115.89705	1.6
116.01672	20.7
116.06238	2.5
117.07032	2.9
119.08584	25.2
121.06501	6.8
121.10155	10.7
123.04423	3.2
123.08073	3.4
125.02348	7.1
125.09607	2.4
126.02684	3.2
127.03896	2.0
129.06836	2.8
130.04985	7.3
130.06873	4.9
131.08563	41.4
133.10135	21.3
135.08028	2.6
135.11714	2.8
143.08554	6.5
144.01105	9.2
144.09363	3.0
145.10121	12.6
147.11685	5.4
149.09622	11.1
149.13268	2.8
151.03886	6.5
153.05435	3.0
156.08409	14.9
156.10208	10.2
157.06847	10.2
158.10883	6.9
162.02213	18.0
163.11165	4.5
173.13246	27.0
174.09491	13.7
175.14810	54.8
176.15225	2.8
179.04845	6.1
189.03305	2.4
191.10692	11.8
191.14307	30.2
195.06531	3.2
209.11732	51.2
209.15213	3.9
210.11815	2.2
211.05978	7.6
212.06377	9.5
213.07613	5.7
216.06940	5.7
227.16435	2.0
259.11105	100.0
260.11383	5.4
285.12579	1.7
288.86728	1.6
294.83243	1.6
313.12201	4.4
331.13171	6.8
333.33768	1.6
406.16388	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	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	3.2
69.03431	5.1
69.07066	6.6
70.10790	8.1
81.07053	14.6
85.02918	10.6
87.04481	10.5
93.07053	18.5
95.08614	4.9
97.02889	4.1
101.43468	3.2
105.07028	8.5
107.04939	3.4
107.08600	11.5
109.06488	4.0
109.10181	5.4
119.08588	4.2
121.10139	41.7
123.08131	4.1
123.10882	5.5
123.11708	67.2
131.08559	6.5
133.10143	12.5
135.08051	3.3
137.09624	3.7
147.11705	17.5
149.09637	24.3
149.13268	4.4
151.11179	31.1
165.12787	10.9
167.10675	86.8
168.11055	3.8
173.13365	7.6
175.14815	8.6
191.14294	9.6
209.11792	3.4
209.15411	17.9
227.12929	4.1
227.16411	100.0
228.16692	5.2
389.13046	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	12.9
55.05508	2.0
56.02272	1.0
57.03432	1.8
57.07047	0.9
59.19513	1.0
62.06087	1.2
67.05507	7.1
69.03424	4.7
69.07078	10.7
69.30139	5.7
70.06589	1.6
71.04988	4.1
79.05487	7.1
81.07058	9.4
83.05036	1.4
83.08630	1.2
85.02895	2.5
85.06564	6.3
86.16051	1.0
91.05477	4.0
92.63422	1.0
93.07048	14.7
95.04975	3.3
95.08598	12.6
97.06523	10.8
98.23447	2.4
99.04469	5.7
105.07030	12.2
107.04955	2.5
107.08593	39.3
109.06520	7.8
109.10117	2.2
111.08070	1.9
113.06002	3.7
116.07110	1.1
118.36201	1.1
119.08567	4.3
121.06499	6.3
121.10134	12.5
123.08042	8.6
123.11708	1.5
131.08546	1.5
133.10155	1.9
135.08070	1.9
135.11679	7.6
137.05997	1.8
138.05482	2.6
139.11160	1.5
145.09096	1.4
145.10123	9.5
146.05992	1.2
147.11671	3.3
149.09630	5.6
151.07521	6.8
153.12737	2.4
163.11177	24.8
164.11662	1.2
165.12863	1.2
167.07039	1.9
167.10686	9.7
169.08600	87.1
170.08943	3.0
173.09560	1.5
175.14801	1.4
181.12241	16.2
184.46115	1.2
185.11760	5.2
191.10649	8.9
191.14320	1.6
192.14676	1.3
193.12317	1.3
206.08131	3.9
209.11732	12.1
209.15309	1.2
210.15642	2.8
211.13339	3.1
211.16858	1.4
227.12775	100.0
227.16418	3.7
228.13110	4.3
228.16797	1.7
246.20621	1.7
407.17258	1.8
407.21945	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	8.3
63.47823	2.0
67.05494	3.9
68.58391	2.6
70.06600	3.6
70.52797	4.7
79.05495	3.2
80.94857	9.2
81.07045	2.9
86.30646	2.2
86.63681	2.2
88.07615	2.6
89.05991	2.0
95.08571	3.2
101.33607	2.1
128.15860	2.2
129.95213	2.2
134.12085	2.1
137.84831	2.0
149.02444	2.5
162.03062	2.5
162.90800	2.1
163.13841	2.4
184.04434	3.4
193.05008	3.7
199.06584	2.7
215.31146	2.2
241.11275	2.9
244.69537	2.2
320.08957	3.8
333.17123	2.8
348.15659	3.5
367.18088	3.8
371.14670	10.9
371.25946	3.3
385.09302	4.4
389.16315	3.5
406.35071	2.6
407.23883	100.0
407.35547	6.4
407.76718	3.8
408.24213	6.7
408.31412	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.3
57.07066	1.1
69.86758	1.7
70.06596	5.6
72.08138	1.1
72.11794	0.9
79.05505	0.8
81.07069	1.1
84.08111	1.0
88.07619	1.4
91.05478	1.1
95.08661	1.2
100.07621	1.9
102.09182	1.5
131.25624	1.0
146.11787	1.2
163.03900	7.1
163.43364	0.8
170.11783	8.2
199.06415	0.8
207.06508	7.4
228.23289	3.3
254.41142	1.1
300.29041	3.1
301.29367	2.9
304.56744	0.8
345.14349	1.0
345.31891	1.6
349.17056	1.3
389.11658	1.0
406.35486	5.6
407.24042	100.0
407.35516	13.3
408.27420	7.6
432.33597	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	1.3
58.06594	0.5
61.86792	0.5
64.38324	0.4
70.06597	3.1
70.73145	0.6
71.22330	0.4
72.08168	0.5
79.58817	0.4
84.08139	0.7
86.09710	1.0
100.93668	0.4
102.64848	0.4
132.10167	1.3
146.11754	1.1
159.40567	0.4
295.15207	0.7
300.28958	4.0
301.29288	4.4
304.19037	0.5
309.16757	1.0
344.31601	1.6
345.31815	1.9
406.35245	7.9
407.24033	100.0
407.35461	15.8
408.24377	7.1
408.35754	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	0.6
68.80157	0.3
69.76743	1.4
69.77092	0.6
70.06593	0.6
75.80923	0.3
84.08119	0.4
295.15060	0.7
301.29385	0.9
309.16718	1.3
314.72015	0.5
325.16364	0.5
345.31854	0.5
347.15271	1.9
348.16135	0.5
349.16711	0.5
365.16251	0.9
371.24338	0.4
383.99136	0.4
388.17960	0.4
406.35242	1.0
407.24048	100.0
408.24478	7.3
427.30841	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.5
55.59636	0.4
57.07062	0.5
67.05482	1.0
69.03446	0.5
69.07051	0.8
69.51196	0.7
69.51557	1.3
78.40189	0.3
79.05504	1.8
81.07050	1.9
83.04964	0.4
85.06532	0.7
87.38501	0.4
91.05454	2.0
92.88616	0.3
93.07030	2.1
95.04966	2.4
95.08595	1.4
96.92196	0.4
97.06516	0.8
98.23511	0.4
99.95368	0.3
102.22694	0.4
103.05556	0.3
105.07028	3.1
107.08555	1.5
109.06499	1.1
109.10092	0.4
113.69477	0.3
117.07007	1.1
119.04969	0.4
119.08574	2.3
121.06491	1.0
121.10118	1.1
123.08032	1.0
129.07030	0.7
131.08549	1.6
133.06447	0.6
133.10127	1.0
135.08063	1.1
142.07697	0.5
143.08540	1.7
144.09264	0.6
145.10107	2.7
147.08012	1.0
147.11668	0.6
149.09602	0.5
151.07501	1.4
155.08542	0.5
156.09358	0.7
157.10156	2.4
159.08083	0.8
159.11667	1.3
161.09624	0.6
165.09090	0.7
169.10101	1.4
171.11647	1.1
173.09613	0.7
173.13274	0.6
179.07123	0.3
181.10132	1.0
181.11966	0.4
183.11624	0.8
185.13239	0.4
186.47601	0.3
187.11169	0.7
189.12825	0.3
193.10120	0.5
195.11552	0.5
197.13242	0.6
199.11172	0.9
203.14351	0.5
207.11748	0.4
209.13147	0.5
211.14738	0.5
213.12724	0.4
221.15370	1.0
333.20319	0.5
337.16281	0.4
389.24518	0.6
407.24020	100.0
408.24289	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	407.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.6
68.01044	0.5
70.06602	0.5
70.56779	0.7
82.09113	0.4
88.07611	0.9
98.79517	0.4
114.09084	0.7
132.10216	0.9
173.13315	0.5
176.12854	0.6
181.50688	0.4
214.38037	0.4
228.22284	0.5
238.16599	0.7
321.16632	2.8
347.15369	0.9
394.01028	0.5
406.35205	2.6
407.24033	100.0
407.35150	5.3
408.24329	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94973	1.4
75.05499	0.5
75.93200	0.5
96.01866	0.6
97.31468	0.5
119.08538	0.8
166.86188	0.6
194.51140	0.5
280.16553	1.9
361.19763	5.7
371.15054	1.0
374.26730	0.8
389.26538	0.8
407.24026	100.0
408.24472	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	407.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	0.6
69.63548	1.3
76.33958	0.5
81.07074	1.2
91.05508	0.7
93.07068	0.7
94.42796	0.5
95.08629	0.9
104.99277	0.8
107.08517	0.5
109.10133	0.8
119.08553	0.6
145.70354	0.5
161.21362	0.5
231.17857	0.6
253.65302	0.5
307.15106	1.1
389.22955	31.6
390.23395	2.0
407.24033	100.0
408.24213	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	407.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82772	0.8
69.94797	2.0
70.11749	0.7
76.92549	0.8
81.07076	1.2
84.08149	5.4
93.07051	1.5
95.08604	1.1
96.01892	2.8
97.02619	1.3
105.07022	1.3
117.39973	0.8
156.03957	1.0
169.04787	1.3
192.47261	0.8
249.14705	1.0
271.14066	0.8
281.13669	2.6
291.15848	1.4
306.01416	0.8
309.16833	1.5
321.16714	66.5
322.17065	4.3
374.26556	1.3
389.22800	1.0
407.24030	100.0
408.24280	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	407.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	1.8
57.15472	0.9
67.05484	1.2
69.07069	1.1
69.38526	4.3
72.40764	0.9
75.47085	0.9
81.07053	1.8
83.08571	1.2
91.05491	1.3
93.06997	0.9
95.04933	0.9
95.08617	1.8
96.92220	3.0
105.07043	1.0
107.08604	1.8
119.08595	0.9
123.08088	1.2
124.08408	1.0
133.10202	1.1
135.72763	0.9
153.41611	0.9
234.52368	0.8
251.16458	1.4
256.38477	0.9
269.10681	2.5
279.43912	0.9
287.11551	1.0
291.08734	1.2
309.05487	2.2
347.15152	1.3
349.16583	1.0
365.16263	1.0
367.17932	1.4
371.15906	1.2
407.12683	2.7
407.24023	100.0
407.29929	3.2
408.24173	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
55.05505	0.6
67.05501	0.8
69.03429	0.5
69.06709	0.4
69.07066	6.4
70.52505	0.2
71.04998	0.4
71.08647	0.3
71.45473	0.2
72.04522	0.3
72.08132	0.3
74.02436	2.0
79.05480	0.7
80.05061	0.2
81.03393	0.3
81.07047	0.7
83.04970	0.3
83.08573	0.3
84.04508	0.4
84.08141	0.5
85.06505	0.3
86.09705	16.6
91.05479	0.9
93.07036	0.7
95.04943	0.4
95.08601	0.6
97.06515	1.5
103.05476	0.5
104.98369	0.2
105.07034	1.0
106.06591	0.3
107.04964	0.5
107.08582	0.5
108.08140	0.4
109.06525	0.4
110.06033	0.3
117.06966	0.2
118.06551	0.4
119.08590	0.5
120.08101	100.0
121.06528	0.3
121.08458	2.0
121.10152	0.5
123.11687	0.3
126.09126	0.3
130.06586	0.3
130.08655	0.7
132.10193	2.8
133.06499	0.4
137.05989	0.3
140.10719	1.8
146.09644	0.3
147.11696	0.3
148.07558	2.1
148.79465	0.2
150.09184	0.7
151.03931	0.7
151.09946	1.5
152.10283	0.8
155.78230	0.2
163.03943	0.4
163.07565	0.3
164.07074	0.3
165.09128	0.4
167.07008	1.2
178.08647	0.5
180.10182	2.8
181.05009	0.3
182.15384	0.3
193.08606	1.4
208.09644	0.3
208.13353	0.3
211.09665	1.4
211.16991	0.3
234.14920	0.5
246.11269	2.9
270.54019	0.2
282.47159	0.2
301.22705	6.2
302.23016	0.3
337.33817	0.3
347.23273	36.6
348.23672	1.8
363.23657	0.6
375.14563	0.3
375.22955	1.4
407.25400	65.7
408.25858	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	407.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
55.05505	0.6
67.05501	0.8
69.03429	0.5
69.06709	0.4
69.07066	6.4
70.52505	0.2
71.04998	0.4
71.08647	0.3
71.45473	0.2
72.04522	0.3
72.08132	0.3
74.02436	2.0
79.05480	0.7
80.05061	0.2
81.03393	0.3
81.07047	0.7
83.04970	0.3
83.08573	0.3
84.04508	0.4
84.08141	0.5
85.06505	0.3
86.09705	16.6
91.05479	0.9
93.07036	0.7
95.04943	0.4
95.08601	0.6
97.06515	1.5
103.05476	0.5
104.98369	0.2
105.07034	1.0
106.06591	0.3
107.04964	0.5
107.08582	0.5
108.08140	0.4
109.06525	0.4
110.06033	0.3
117.06966	0.2
118.06551	0.4
119.08590	0.5
120.08101	100.0
121.06528	0.3
121.08458	2.0
121.10152	0.5
123.11687	0.3
126.09126	0.3
130.06586	0.3
130.08655	0.7
132.10193	2.8
133.06499	0.4
137.05989	0.3
140.10719	1.8
146.09644	0.3
147.11696	0.3
148.07558	2.1
148.79465	0.2
150.09184	0.7
151.03931	0.7
151.09946	1.5
152.10283	0.8
155.78230	0.2
163.03943	0.4
163.07565	0.3
164.07074	0.3
165.09128	0.4
167.07008	1.2
178.08647	0.5
180.10182	2.8
181.05009	0.3
182.15384	0.3
193.08606	1.4
208.09644	0.3
208.13353	0.3
211.09665	1.4
211.16991	0.3
234.14920	0.5
246.11269	2.9
270.54019	0.2
282.47159	0.2
301.22705	6.2
302.23016	0.3
337.33817	0.3
347.23273	36.6
348.23672	1.8
363.23657	0.6
375.14563	0.3
375.22955	1.4
407.25400	65.7
408.25858	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	407.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98519	0.5
55.05507	0.8
56.96557	0.6
63.53348	0.5
65.94958	0.5
67.05495	1.7
72.26689	0.6
78.35353	0.6
81.07050	1.7
82.94559	0.8
83.08636	0.8
91.05498	0.7
93.07042	1.1
95.04977	0.6
95.08613	1.3
105.07005	1.4
107.08553	1.0
109.10154	0.6
118.52513	0.6
119.01955	0.6
119.08575	2.0
131.08571	1.0
133.10194	0.7
135.11630	0.7
145.10136	1.0
157.10062	0.6
161.09532	0.5
191.38057	0.5
211.83421	0.5
371.25372	1.2
389.26611	100.0
390.26920	6.5
407.27390	2.0
407.32269	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.279
Annotation	3-Oxocholic acid
Peak:m/z	Relative Intensity
55.01879	3.2
55.05515	14.8
67.05513	21.9
69.07069	12.9
69.49492	8.9
71.04988	4.4
74.67730	2.1
79.05484	25.1
81.07058	36.0
83.08640	5.3
85.06551	3.3
91.05471	34.9
93.07053	22.1
95.04947	5.3
95.08616	20.2
97.06546	4.2
105.07018	42.0
107.08570	12.5
109.06520	4.2
109.10168	7.9
117.06998	14.1
119.08575	28.6
121.06454	3.2
121.10147	7.7
123.08025	3.1
129.07022	11.2
131.08557	33.8
132.83136	2.4
133.10104	14.2
135.08003	3.1
135.11720	4.2
141.06956	4.6
143.08572	9.4
145.10123	15.1
147.08124	3.0
147.11685	6.8
155.08591	4.9
157.10152	7.5
159.11722	8.0
169.10107	6.6
171.11711	6.1
173.13330	3.6
183.11729	3.8
184.08495	2.8
185.13263	3.8
197.13353	4.9
199.14902	3.1
201.12724	4.2
261.18451	5.3
273.18457	2.8
325.25348	4.7
335.23804	4.4
343.26260	6.8
353.24686	19.3
371.25851	30.6
376.97702	3.4
389.26816	100.0
389.31937	5.2
390.27191	8.0
407.27322	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	407.2793
Annotation	3-Oxocholic acid
Peak:m/z	Relative Intensity
51.17241	1.2
53.03948	2.0
55.01881	1.4
55.05508	15.1
57.07095	1.8
60.83740	1.4
61.35341	1.3
62.56588	1.5
65.03930	2.2
67.05508	31.8
69.07076	13.6
69.43095	3.9
71.04993	4.3
77.03944	3.3
79.05492	28.7
79.64949	1.5
81.07056	34.4
83.04984	2.5
83.08608	4.5
85.06548	2.1
86.89889	1.2
91.05482	50.1
91.06060	2.5
93.07046	27.5
95.04961	5.9
95.08604	24.6
96.97889	1.4
97.06508	3.4
97.10184	2.9
97.35317	1.7
103.05491	2.3
105.07030	58.1
106.07374	1.8
107.04955	3.1
107.08594	15.4
109.06500	4.1
109.10185	8.3
115.05471	2.9
117.07025	21.4
119.08582	38.3
121.06503	5.6
121.10128	8.9
123.08038	2.8
129.07010	13.9
130.53198	1.4
131.07654	2.8
131.08566	32.9
133.06509	3.1
133.10118	17.7
135.08070	2.5
135.11684	4.2
141.07002	3.4
143.08568	10.1
145.06470	3.2
145.10124	21.9
147.08028	4.3
147.11693	5.4
149.09657	4.4
155.08530	7.8
157.10115	6.6
159.11671	7.0
167.08525	1.8
169.10115	6.2
171.11702	5.6
173.09596	1.8
173.13245	3.6
176.25952	1.6
181.10106	3.2
183.11719	4.4
185.13307	3.6
187.11075	1.4
187.14784	1.8
195.11713	4.0
197.13286	3.2
199.14795	2.8
209.13324	3.2
211.14883	5.9
217.15921	2.9
223.14839	2.4
225.16313	3.0
227.14236	1.9
233.15341	5.9
234.15468	1.5
235.16931	2.0
247.16930	4.9
259.16870	3.5
261.18494	4.6
273.18369	2.9
287.20142	1.6
325.25269	7.2
335.23615	5.6
343.26181	7.6
353.24728	24.1
371.25806	34.5
372.26041	5.8
389.26837	100.0
390.27231	9.3
407.27200	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	4.1
55.75906	0.7
57.07077	9.6
67.05502	2.1
69.06713	1.5
69.07070	20.3
71.08634	12.6
79.05466	1.1
81.07061	1.9
82.38825	0.6
83.08644	0.9
89.06020	2.3
93.07017	0.9
95.08618	1.8
98.23459	1.4
105.07033	1.2
111.11729	6.5
113.00007	6.3
113.13249	1.3
121.02882	3.9
129.12767	4.1
133.08565	1.5
149.02345	100.0
150.02676	2.9
167.03429	8.0
169.02637	6.4
190.04996	1.2
209.13040	0.7
220.42787	0.8
224.04694	0.7
300.43073	0.8
389.26337	0.8
407.30017	0.9
407.35229	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	408.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28226	0.2
55.05505	0.5
57.03424	0.7
61.02921	0.6
67.05489	0.4
69.03423	2.2
69.07053	0.5
70.06603	0.2
71.44381	0.2
74.02392	0.3
79.05499	0.3
81.03418	0.8
81.07047	0.5
85.02404	0.3
85.02901	3.7
86.09699	0.7
87.04457	0.4
91.05485	0.3
93.07014	0.2
95.04968	0.4
97.02895	0.9
97.06505	0.2
99.04465	0.3
105.07005	0.6
107.04950	0.3
108.08129	0.4
109.02867	0.5
111.08111	0.3
117.06977	0.3
118.06522	0.5
119.08573	0.2
120.08120	2.2
121.08408	0.7
123.04424	0.8
124.07600	0.4
127.03908	0.7
133.10130	0.2
136.03862	0.2
136.07542	0.4
138.09163	0.4
144.08040	0.4
145.04921	0.3
145.06471	0.3
145.10135	0.3
148.07588	0.4
150.05481	0.2
151.09885	0.5
155.08536	0.5
157.08862	0.3
159.07986	0.2
160.05165	0.2
162.09094	0.3
164.07088	0.5
165.05338	0.3
170.05936	0.2
172.11206	0.5
173.09557	0.5
176.10693	0.6
178.78087	0.2
182.05905	0.3
182.09726	0.3
183.08052	0.4
185.08354	0.4
187.15184	0.2
188.07002	0.2
189.07777	1.4
190.08592	0.3
190.12190	0.5
200.07079	0.7
200.10721	1.7
201.09129	0.3
202.08542	0.3
203.09383	0.4
208.13359	0.2
213.07849	0.5
214.08308	0.2
216.06642	0.5
217.07251	0.7
218.08104	1.5
218.11668	0.7
222.11116	0.3
228.10234	1.2
229.08598	0.5
231.08911	1.1
244.09654	1.7
245.10216	1.8
246.11238	100.0
247.11574	4.4
272.20084	0.8
288.12329	1.0
334.23788	3.0
339.15524	0.3
347.23279	0.5
348.23596	0.6
349.17523	0.3
407.25153	0.3
408.16449	6.1
408.27478	6.0
409.09448	0.4
409.16187	0.2
409.27859	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98638	0.1
55.00916	0.1
55.05511	0.3
61.42240	0.1
63.86764	0.1
67.05494	0.4
67.50842	0.1
69.03422	0.4
69.07063	0.6
70.06599	0.2
71.45464	0.1
73.02892	0.1
74.02419	0.2
79.05487	0.3
81.03409	0.2
81.07048	0.5
85.02889	0.5
86.09708	0.7
87.09987	0.2
91.05470	0.4
93.07041	0.2
94.06597	0.2
95.04958	0.3
95.08624	0.3
97.02888	0.3
97.06506	0.3
105.07015	0.3
107.04984	0.2
107.08564	0.2
108.08086	0.3
109.02837	0.2
109.06548	0.2
115.05418	0.2
117.07006	0.2
118.06591	0.2
119.08538	0.1
120.08101	3.1
121.08448	1.1
121.10106	0.1
123.04412	0.8
123.11671	0.1
124.07577	0.6
127.03917	0.2
129.06944	0.2
131.08478	0.1
136.03920	0.2
136.07593	0.3
137.05983	0.1
138.09151	0.4
140.10724	0.2
143.04803	0.1
144.08038	0.3
145.06505	0.2
145.10114	0.4
146.06027	0.2
148.07594	0.3
150.09174	0.2
151.09889	0.2
152.10269	0.2
155.08540	0.4
158.07213	0.3
159.08041	0.2
160.07562	0.2
161.05940	0.3
162.09122	0.2
163.03880	0.2
164.06998	0.2
165.05492	0.2
165.06987	0.2
167.07072	0.5
170.06000	0.2
172.07561	0.3
172.11244	0.7
173.00464	0.2
173.09569	0.4
175.09830	0.2
176.10735	0.3
178.08638	0.2
179.07053	0.2
182.05978	0.4
182.09630	0.4
183.07997	0.3
184.07545	0.2
185.08342	0.6
188.07080	0.2
189.07825	1.5
190.08531	0.3
190.12282	0.4
196.73776	0.1
199.06302	0.2
200.06999	0.7
200.10706	1.7
201.09087	0.7
203.09378	0.4
208.13411	0.2
213.07848	0.4
214.08536	0.3
216.06592	0.5
217.07338	0.7
218.08127	1.7
218.11719	0.5
228.10185	0.9
229.08531	0.4
230.08205	0.5
231.08893	1.3
244.09712	0.2
246.11243	100.0
247.11591	5.0
275.12543	0.1
302.23074	0.2
347.23267	0.4
348.23538	1.3
349.17529	0.5
407.25659	0.4
408.16431	2.4
408.25778	2.6
409.09195	0.1
409.18207	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	408.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	30.1
56.05039	1.8
57.03431	1.8
57.99140	1.3
58.99583	15.5
60.99184	1.1
69.07088	1.7
69.67500	2.3
69.67863	2.8
73.01151	3.3
75.62555	1.2
76.02237	9.8
76.04017	3.3
78.01800	2.7
79.05485	2.5
81.03416	1.9
81.07053	4.4
81.57240	1.1
82.64350	1.3
83.06124	1.8
83.08623	45.7
84.04504	25.4
85.02896	1.7
86.99057	12.9
87.02711	1.2
88.02224	3.4
88.98623	1.5
91.05509	3.7
93.07052	1.9
94.13596	1.1
95.08627	1.7
96.08158	2.6
98.09715	2.4
99.05624	2.1
101.09660	2.9
102.05518	1.8
105.07040	4.2
107.04968	2.4
107.08602	2.5
109.06573	1.7
112.03963	1.2
115.05785	1.2
116.01683	56.3
118.01257	3.4
119.05023	1.2
120.08102	7.7
121.06509	1.6
121.10228	1.3
123.08082	1.6
124.07590	14.6
129.06587	4.8
130.04977	5.8
131.08571	3.8
131.61571	1.2
133.06538	3.2
133.10124	1.6
139.07553	1.4
141.07352	2.1
142.03259	4.6
144.01160	32.0
145.06021	1.9
146.05942	1.5
147.11789	1.7
149.09583	1.8
151.07545	3.0
155.07062	2.0
156.10164	1.6
159.08397	33.9
162.02206	100.0
163.02457	1.9
164.01736	2.4
165.09212	2.0
169.08632	2.1
176.09189	2.2
176.11133	3.9
179.07097	3.9
187.08090	1.2
193.08675	4.2
193.12306	1.9
197.08122	1.4
205.09045	1.4
205.47572	1.4
209.11783	2.8
210.12099	1.8
211.09656	7.9
211.12350	2.1
211.16901	1.4
229.10736	8.0
259.11096	1.5
261.10730	10.1
262.11090	62.4
263.11450	3.6
267.16006	1.4
279.13742	25.9
333.14804	16.8
349.17987	1.2
390.17099	1.7
408.17416	5.3
408.21600	3.3
409.15683	2.0
409.20416	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	408.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.8
57.07070	1.2
67.05495	2.6
69.03412	1.7
69.07064	6.8
69.46299	1.9
71.04980	1.9
79.05504	2.4
80.03699	1.0
81.03413	2.4
81.07057	6.9
83.04966	1.1
85.02902	7.0
85.06537	1.7
91.05484	7.5
93.07041	7.0
95.04959	3.2
95.08591	1.5
97.02883	1.6
99.04427	1.4
105.07018	8.4
107.08581	2.4
109.06500	11.1
109.10158	2.1
113.17146	0.9
119.08561	3.6
120.08121	2.9
121.10151	1.3
123.08097	2.0
123.11665	1.3
124.04003	1.2
131.08554	4.2
133.10126	50.6
134.10460	1.9
137.05995	5.3
137.09650	2.4
145.04947	1.1
147.11682	12.7
151.07532	3.6
151.11179	36.1
155.07016	10.1
165.12764	2.5
175.11172	4.3
179.06984	7.0
193.12234	27.2
197.08115	1.2
211.13283	100.0
212.13689	4.8
229.10727	4.9
229.14305	27.3
230.14752	1.1
268.08099	1.0
408.21246	2.1
409.18304	76.1
423.76526	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	7.0
57.03414	1.7
57.27661	1.8
59.04984	1.7
62.99276	1.8
67.05495	7.3
69.03449	2.9
69.07070	11.0
69.64026	1.6
71.04996	4.8
73.08691	1.5
74.02438	2.3
74.43304	1.4
78.14702	1.5
79.05480	3.8
81.03397	2.8
81.07055	12.5
83.04979	3.3
83.08624	6.5
85.02895	5.7
85.06532	2.9
86.09697	2.0
91.05473	3.4
93.07029	9.2
95.08615	21.1
97.06513	10.1
99.04432	3.1
105.07034	6.8
107.08606	11.6
109.06508	5.4
109.10170	21.3
111.08064	3.5
111.11732	1.8
115.07570	6.5
119.08564	15.3
120.08139	1.9
121.10154	6.4
123.08090	3.3
123.11700	7.1
125.09592	1.9
127.11197	2.8
133.10132	26.2
135.11699	23.0
137.09615	5.0
147.11697	3.1
149.13269	11.6
163.14883	2.0
165.05463	1.8
165.16341	2.0
167.14330	5.3
175.14815	44.9
176.15196	2.3
178.08635	4.8
193.12119	2.4
193.15881	57.6
196.09715	5.1
202.59673	1.8
211.13342	7.3
211.16928	100.0
212.17355	3.2
229.18027	4.9
239.98795	1.6
261.06592	1.7
373.22220	2.3
400.30798	1.6
408.19656	5.6
409.18222	11.9
409.23401	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	408.311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	100.0
57.07080	13.8
57.57561	6.7
67.05508	30.8
69.07068	15.9
69.33659	35.6
71.08648	11.3
72.04516	9.4
73.43537	5.7
77.13865	6.8
79.05505	10.3
81.07051	29.2
83.08623	65.0
89.06039	66.4
91.05479	18.1
93.07065	23.6
95.08606	13.1
105.07042	18.2
107.08608	18.5
109.10172	38.4
111.08083	6.1
113.00047	9.3
123.11775	7.9
133.08595	31.8
133.10110	55.9
151.11194	47.3
169.02698	21.2
169.12257	29.0
179.10695	11.9
185.58374	7.3
192.15585	6.5
195.12276	97.7
207.03755	7.0
215.12807	12.2
257.77310	6.6
273.18298	8.6
277.55313	6.3
279.19565	34.9
291.19540	21.1
345.12610	6.3
408.21396	7.3
409.35028	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	409.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94733	1.2
57.99466	1.1
66.53916	1.2
69.43992	3.0
72.09451	1.2
80.80534	1.2
80.93368	1.1
84.53990	1.2
90.33295	1.2
97.62058	1.2
98.22675	1.1
106.97552	1.1
117.50022	1.1
365.69562	1.2
409.11069	100.0
410.11450	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03071	0.3
59.05553	0.2
67.05489	0.3
68.17856	0.3
69.03412	0.4
73.02884	0.3
76.84783	0.3
79.05471	0.3
79.14298	0.2
81.07052	1.1
85.02890	0.6
86.09731	0.3
93.07066	0.3
94.30780	0.3
95.08627	0.2
102.44301	0.2
107.05033	0.3
120.08093	1.1
121.08430	0.6
130.77943	0.2
133.10057	0.3
134.10454	0.3
135.11674	0.3
145.32646	0.2
158.35410	0.2
163.03920	0.6
175.14868	0.4
203.05258	2.2
212.13681	0.3
229.11989	15.7
229.18112	0.5
230.12398	0.6
247.13025	2.1
252.97011	0.3
260.18185	0.3
342.11218	0.2
382.30029	0.3
409.18280	100.0
410.18686	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	409.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07056	0.3
69.22378	1.3
70.35752	0.3
80.87000	0.2
81.07023	0.3
85.02912	0.3
89.18667	0.3
119.08509	0.3
120.08086	0.9
125.09623	0.3
155.00700	0.3
199.09650	0.8
229.12032	0.6
231.12239	0.5
247.12857	1.3
285.09439	1.2
344.78568	0.3
363.31210	0.3
409.18311	100.0
410.18649	5.9
422.30289	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.22
Annotation	Ser Phe Arg
Peak:m/z	Relative Intensity
51.53669	0.2
66.38099	0.3
69.62317	0.5
69.62682	0.6
69.92998	0.3
81.07063	0.4
95.08598	0.3
98.22781	0.5
105.07058	0.3
119.08645	0.4
171.06783	0.3
259.26678	0.3
307.16531	0.7
307.96698	0.3
335.18210	1.2
349.17038	0.4
409.21967	100.0
410.22284	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	409.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	7.4
57.07079	77.3
67.05488	15.3
69.07069	7.4
69.32348	29.1
77.95939	6.4
79.05497	10.5
81.07057	21.0
91.05496	7.4
93.07065	16.8
95.08608	23.0
102.09187	7.6
105.07046	21.5
107.08613	25.4
109.06560	8.3
110.97545	6.5
111.94195	7.3
119.08617	10.7
121.10165	15.2
133.10129	8.9
137.26826	7.2
143.08580	14.5
145.10162	12.5
147.11743	7.8
149.13260	11.7
157.10081	9.0
159.11786	10.9
163.14799	21.1
165.60884	6.7
189.16322	6.7
207.11314	18.9
224.13933	15.5
289.17401	7.7
308.19617	44.6
330.62555	7.1
335.18704	16.0
374.24332	31.6
392.25449	100.0
409.23856	39.7
409.30945	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	409.256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78184	0.4
56.96553	0.7
67.05504	1.0
69.80177	0.7
69.80499	1.2
81.07050	0.6
91.05479	0.6
93.07031	0.8
142.82123	0.5
197.24660	0.5
243.09082	0.6
269.17645	1.0
314.19351	0.6
331.15646	2.7
349.16794	3.9
367.18423	0.6
386.85110	0.6
409.25577	100.0
410.25955	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	409.256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72955	0.4
55.85600	0.4
56.59477	0.4
60.27478	0.5
60.29692	0.4
69.86428	1.1
79.92357	0.5
127.96748	0.5
164.48648	0.4
270.45340	0.5
295.15051	0.5
396.29303	0.6
408.90250	0.4
409.25586	100.0
410.25925	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65937	0.3
56.96553	0.5
69.34573	1.7
76.15183	0.3
76.17599	0.3
78.73155	0.4
80.40998	0.3
88.03153	0.4
117.55556	0.3
133.10135	0.3
153.17691	0.3
199.06596	0.3
229.07436	0.4
295.15179	0.9
309.16992	0.7
331.15881	0.6
349.16855	1.4
367.17862	0.9
409.25583	100.0
410.25919	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	409.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	4.4
69.07076	1.4
69.75272	2.1
69.75621	0.7
79.05505	0.7
81.07062	1.3
91.05454	0.9
93.07038	0.7
95.08633	0.6
98.23412	1.3
98.91933	2.4
105.06995	0.8
107.08640	0.8
110.97549	1.4
119.08598	0.7
128.98647	0.7
136.64386	0.6
181.05330	0.7
199.06459	1.9
207.06544	0.9
211.06447	0.6
217.07452	1.2
229.07495	1.9
237.07947	1.0
243.09012	1.0
246.86185	0.6
251.42950	0.7
255.08945	3.8
269.13614	1.8
273.10162	1.8
278.10495	1.0
331.15726	4.2
349.16827	12.9
350.17142	2.0
367.17935	4.5
372.18246	0.8
389.16232	1.0
390.19449	1.1
409.25598	100.0
410.25882	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	409.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38991	0.4
53.33113	0.4
53.77759	0.4
56.96547	0.5
66.53280	0.4
69.10915	2.6
79.05513	0.5
91.05523	0.4
93.07020	0.6
98.23489	0.8
107.86642	0.4
121.02853	0.5
123.08121	0.4
140.17523	0.4
170.11839	0.5
231.58189	0.4
295.15192	1.7
409.25586	100.0
410.25983	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46345	2.3
54.67141	2.0
54.84667	2.2
55.05516	3.9
59.74305	2.3
64.69834	2.2
65.20089	2.3
67.05499	3.4
69.03392	2.3
69.07063	3.0
70.21333	2.3
79.05491	3.3
81.07036	4.0
89.06029	4.8
91.05453	6.5
95.04958	5.4
95.08588	4.4
96.01904	3.3
101.08144	3.2
103.60503	2.0
105.07043	8.0
117.65224	2.4
119.08551	3.2
121.10168	2.7
145.10114	4.0
157.10074	3.2
167.10712	3.1
169.04727	4.5
279.15793	3.0
293.17249	4.8
309.16818	4.0
310.41068	2.4
321.16724	100.0
322.17108	6.8
334.47806	2.3
391.24350	5.6
409.21664	18.1
409.26477	31.0
410.26202	3.5
426.79242	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01867	4.3
55.05511	15.4
57.03440	1.9
57.07066	8.2
59.05014	2.3
67.05502	17.7
69.01113	1.6
69.03427	8.0
69.07076	10.8
71.04990	2.6
77.03917	1.7
79.05492	24.5
81.03404	2.6
81.06596	1.1
81.07053	31.8
83.04981	5.6
83.08633	4.6
84.18192	1.4
85.06537	2.9
91.05476	37.8
93.07041	43.6
94.07378	2.0
95.04345	2.3
95.04966	41.0
95.08605	31.8
97.06544	8.0
101.62805	1.4
103.05456	3.5
105.04546	2.8
105.07027	100.0
107.04910	2.0
107.08589	25.9
109.06506	12.7
109.10146	9.2
115.05443	2.7
117.07023	14.4
119.04916	1.6
119.08580	57.0
120.09402	1.3
121.06502	15.2
121.10141	17.5
122.09669	2.1
123.08054	18.7
123.11708	3.3
128.06247	4.5
129.05469	5.9
129.07027	6.8
130.07797	5.1
131.08586	21.5
132.09267	1.4
133.06503	4.5
133.10107	16.5
135.08060	13.7
135.11728	5.2
137.06073	2.2
137.09590	8.0
141.06998	2.8
142.07765	12.5
143.08574	16.1
144.09357	5.1
145.10127	34.5
146.10789	2.5
147.08031	17.0
147.11681	34.5
148.08763	2.0
148.12016	2.4
149.09662	10.6
149.13295	2.0
151.07535	16.4
153.06978	1.9
153.09111	2.8
154.07753	1.7
155.08595	5.8
156.09328	4.5
157.10109	18.9
159.08090	5.1
159.11687	14.8
161.09639	6.7
161.13216	3.6
163.11136	5.1
165.09120	29.4
167.08566	3.6
168.09329	3.9
169.10118	10.0
170.10889	2.0
171.11687	9.7
172.12442	1.6
173.09648	5.8
173.13277	7.4
175.11186	24.5
175.14725	1.6
176.11562	2.1
177.09105	4.5
181.10100	4.4
181.12228	1.8
182.10927	1.9
183.11708	10.9
185.09627	2.8
185.13271	5.4
187.11205	4.5
187.14854	4.4
189.12761	4.4
193.10201	2.9
195.11708	4.0
196.12541	3.2
197.13283	5.0
199.11191	3.4
199.14935	2.4
201.12747	7.6
201.16452	3.8
201.56407	1.5
203.14307	13.0
207.11865	3.1
207.13829	6.5
209.13310	2.1
209.15468	2.9
211.14851	4.6
213.12669	2.0
215.14357	2.4
219.13763	3.3
221.15352	70.3
222.15729	4.7
223.14806	2.6
227.14247	2.0
229.15831	5.2
233.15471	2.2
234.16132	10.5
235.16751	2.0
241.15840	1.4
243.13470	1.6
249.16505	1.8
253.16025	2.0
286.19089	2.4
287.20193	6.9
299.20190	1.6
300.20868	2.5
329.21042	3.4
391.26352	6.1
409.22827	2.7
409.27496	36.2
409.33231	2.7
410.27744	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	409.2738
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03937	2.6
55.01869	3.4
55.05516	21.8
57.07075	8.9
59.05001	3.7
65.03925	2.1
67.05503	20.0
69.03439	9.6
69.07076	8.8
70.72629	2.7
71.04988	3.1
79.05497	22.2
81.06624	3.0
81.07063	39.2
83.04990	4.1
83.08610	3.9
85.06540	3.5
88.52333	2.0
91.05482	38.8
93.06454	2.7
93.07044	55.4
95.04973	55.0
95.08607	30.8
97.06543	10.2
103.05428	4.7
105.04529	3.7
105.07030	100.0
106.07326	2.9
106.40582	1.8
107.08593	27.0
109.06524	13.6
109.10155	10.2
111.08101	3.0
115.05396	2.6
117.07023	14.4
119.04923	3.1
119.08584	72.2
119.09422	4.0
121.06503	23.1
121.10146	21.2
123.08071	20.8
125.09621	1.7
128.06229	4.6
129.07014	9.6
130.07784	5.0
131.08575	25.4
133.06538	3.9
133.10114	22.9
135.08055	15.9
135.11699	4.2
137.09605	11.5
141.07004	5.2
142.07794	13.1
143.08572	20.7
144.09322	3.8
145.06459	2.9
145.09000	2.6
145.10132	42.3
146.10745	2.6
147.08057	24.7
147.11694	42.0
149.09615	12.7
151.07545	25.2
153.06952	3.2
153.09108	2.0
154.07748	1.6
155.08543	10.4
156.09389	6.7
157.10118	23.0
159.08060	7.2
159.11679	14.7
161.09636	9.5
161.13275	7.1
163.11209	5.0
165.06985	2.3
165.09122	37.1
166.09511	1.8
167.08585	2.8
168.09393	4.6
169.10135	7.9
170.10918	2.6
171.11711	11.7
173.09598	4.7
173.13301	8.0
175.11194	32.0
177.09122	5.5
178.09964	2.1
179.08476	2.6
181.10129	6.3
181.12343	2.1
182.10863	3.4
183.11690	13.6
185.13239	8.9
187.11194	6.5
187.14867	3.2
189.12816	7.5
191.10678	2.1
191.14362	3.4
193.10069	3.0
194.10925	2.9
195.11798	4.4
196.12500	3.2
197.13306	4.9
199.11176	4.8
199.14899	3.4
201.12769	8.3
201.16434	3.2
203.14326	17.7
206.10948	2.3
207.12006	3.0
207.13863	7.5
209.13301	4.2
209.15390	5.3
211.11293	2.3
211.14801	7.4
213.12758	4.1
215.14320	3.4
216.15073	2.2
219.13792	5.8
221.13452	3.2
221.15363	89.2
222.15718	6.7
223.14923	3.0
225.12874	2.7
225.16362	2.3
227.14339	2.6
229.15906	6.2
231.13861	3.7
233.15390	2.6
234.16174	18.8
239.14709	1.8
247.17021	2.3
249.16457	2.1
279.17242	1.8
286.19333	3.5
287.20099	8.3
299.19904	2.3
300.20792	4.6
311.20078	2.3
329.21301	5.4
373.25208	1.9
391.26453	8.9
392.31934	2.5
409.27383	64.2
410.27798	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.4
55.01872	3.4
55.05512	17.0
57.03424	2.0
57.07080	8.3
59.04997	4.0
64.46813	1.2
65.03922	2.5
67.05505	23.4
69.03426	9.2
69.07062	7.9
69.37682	2.9
69.38093	5.1
71.04994	2.9
77.03934	1.4
79.05499	24.2
81.03417	1.8
81.07060	38.9
83.04974	5.9
83.08630	5.2
84.58538	1.3
85.06538	4.7
89.06043	3.4
91.05476	40.3
93.07046	53.3
94.07394	2.3
95.04972	55.0
95.08604	35.1
97.06533	12.7
98.23394	3.1
98.97535	1.5
103.05464	4.5
105.04513	2.9
105.07034	100.0
106.07361	3.4
107.04980	2.6
107.08604	28.7
109.06514	15.5
109.10160	26.4
111.08104	2.4
115.05490	2.9
117.07010	16.1
119.08581	63.9
121.06510	19.7
121.10154	17.6
123.08066	22.4
125.09648	1.8
127.11220	1.7
128.06221	5.0
129.07008	11.2
130.07790	4.6
131.04953	1.6
131.08569	28.1
133.06514	7.0
133.08603	1.8
133.10124	22.4
135.08060	15.6
135.11719	5.2
137.05960	2.6
137.09621	7.5
141.07036	5.4
142.07780	15.5
143.08553	22.4
144.09363	3.9
145.06493	3.1
145.10129	47.3
146.07268	2.3
147.08060	16.9
147.11685	35.5
147.12831	1.7
149.09637	9.9
151.07550	27.3
153.07024	3.0
153.09096	2.8
154.07739	2.1
155.08604	9.3
155.10616	2.9
156.09363	6.5
157.10132	27.5
158.10905	2.1
159.08092	7.2
159.09387	1.4
159.11702	19.5
160.08809	2.1
161.09625	10.3
161.13300	5.0
162.09995	1.8
163.11208	7.2
165.07056	3.2
165.09122	36.1
167.08615	3.7
168.09337	5.9
169.10152	13.9
170.10880	3.8
171.07997	1.8
171.11693	14.4
172.12289	1.7
173.09637	5.3
173.13239	6.8
175.11172	24.4
175.14868	3.4
177.09160	3.9
178.09908	2.1
179.08527	1.8
181.10168	5.6
181.12244	4.9
182.10910	2.5
183.11716	16.4
185.09622	2.3
185.13272	5.7
187.11205	4.2
187.14844	4.1
188.11925	1.5
189.12759	8.0
191.14278	3.0
192.09378	1.8
193.10205	3.6
193.12189	1.6
194.10869	2.7
195.11710	6.3
196.12465	1.7
197.13234	6.4
199.11200	3.7
199.14890	2.4
201.12732	7.0
201.16449	3.3
203.14304	13.6
207.11877	2.9
207.13841	8.6
209.13312	6.5
209.15446	5.8
211.11424	1.6
211.14784	8.1
213.12804	2.9
215.14293	2.1
217.15733	1.8
219.11797	1.6
219.13799	3.2
221.13292	2.9
221.15359	71.9
222.15750	1.8
223.14764	4.5
225.12721	2.1
227.14336	2.3
229.15929	6.6
231.13812	3.3
233.13277	2.0
233.15503	3.9
234.16171	13.6
235.14676	1.8
239.14467	4.2
239.17967	2.3
241.15813	2.1
253.15848	2.0
267.17514	1.6
269.18930	2.8
271.17133	2.2
285.18655	1.5
286.19400	2.6
287.20154	8.1
288.20810	1.9
299.20267	2.4
300.20816	3.9
317.21069	1.9
329.21094	3.9
358.10236	1.4
373.25400	1.9
391.21097	2.8
391.26422	6.5
409.27377	69.1
410.27908	3.4
419.84100	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88552	0.6
55.05510	3.0
57.03743	0.6
57.07067	1.8
58.32911	0.7
60.21570	0.7
67.05500	5.2
68.41514	0.7
69.07070	7.8
69.10712	4.5
71.08603	0.6
79.05500	5.2
81.06570	1.1
81.07056	22.1
83.08619	3.6
91.05470	4.4
93.07051	15.2
95.04966	1.3
95.08604	21.6
97.06535	0.8
97.10179	2.0
98.23491	1.4
98.97588	1.3
105.07027	10.5
107.08593	24.9
108.08965	1.1
109.10159	9.0
111.08069	1.3
116.98593	0.8
117.07017	2.2
119.08582	12.0
121.10136	14.0
123.11694	4.3
129.07062	0.9
131.08563	3.6
133.10129	11.6
135.11697	9.7
137.13246	6.5
143.08603	3.2
145.10110	8.2
147.11679	15.5
148.12149	0.8
149.13254	26.2
150.13609	1.6
151.11160	1.0
157.10141	5.4
159.11685	7.7
161.13263	5.0
163.14813	35.2
164.15182	1.0
169.10164	1.1
171.11693	4.3
172.12524	0.8
173.13245	5.0
175.14783	5.8
177.16364	6.8
179.14397	0.8
183.11742	0.9
185.13274	4.2
187.14821	5.2
189.16409	6.0
191.17955	1.0
197.13248	1.6
198.14075	0.9
199.14867	4.2
201.16379	4.0
203.17987	10.9
204.18265	0.8
207.17409	0.9
211.14896	1.0
213.16417	4.3
215.17928	11.3
216.18401	0.7
217.19499	1.2
219.17445	1.1
225.16418	1.2
226.17050	0.8
227.17987	4.9
228.18669	1.7
229.19525	7.2
231.21027	1.4
241.19540	8.0
242.20175	1.8
243.21095	6.3
244.21632	0.7
253.19476	1.0
255.21060	18.5
256.21689	1.0
257.22668	2.7
259.20612	2.6
267.21121	1.6
269.22641	12.1
270.22775	0.7
285.22144	14.9
285.25317	0.9
286.22403	0.9
295.24298	1.1
350.82983	0.7
353.28659	0.8
391.21576	1.0
391.33517	7.4
392.33936	0.8
409.34650	100.0
410.34985	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	410.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.4
54.80391	0.7
57.03440	6.1
59.05009	0.9
60.04521	1.4
69.03432	21.3
69.26492	3.7
70.62834	0.8
73.02940	1.7
81.03418	100.0
81.07056	0.7
82.03739	1.2
83.18678	0.6
84.36522	0.8
85.02905	13.6
87.04478	13.7
91.03964	1.0
94.90878	0.6
95.04964	7.2
97.02895	16.2
98.22575	1.1
99.04467	1.4
106.33573	0.6
107.08598	1.1
109.02885	0.8
109.06539	1.6
111.04462	0.9
111.08081	5.2
115.03940	18.4
115.04716	1.5
120.08133	0.8
121.02868	1.1
123.04433	21.7
127.03970	1.3
128.93109	0.7
133.04968	20.9
135.08083	1.7
137.05994	0.8
139.07584	0.9
145.04984	1.2
150.07605	4.8
151.07571	1.2
153.09035	0.7
159.54323	0.7
163.07588	0.7
165.05487	1.3
169.08647	2.0
195.06604	1.9
213.07567	4.6
213.11150	5.7
259.08102	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.6
55.05515	4.4
57.03419	2.7
67.05507	9.3
69.03416	6.0
69.72466	2.9
70.19016	4.6
70.19386	5.7
71.01378	4.0
79.05504	19.4
81.03410	6.3
81.07059	12.4
83.04964	2.7
85.02900	9.8
91.05476	21.5
93.07041	40.2
95.04967	18.4
95.08625	4.2
97.02875	3.4
98.22809	3.5
99.15592	2.9
105.07027	9.5
107.04958	7.0
107.08588	17.8
109.06531	10.7
109.10119	4.0
111.04461	6.4
111.08077	54.5
117.07015	28.6
119.08596	8.4
121.06532	3.8
127.03932	6.8
133.06506	3.8
135.08047	46.9
137.06000	3.6
137.09636	5.2
139.03908	3.0
141.05487	16.5
145.04996	3.6
145.06416	5.0
151.07545	20.3
153.05576	5.7
153.09140	8.2
154.06181	2.9
163.07538	25.9
165.09056	4.4
169.08600	11.6
171.06555	4.8
177.09109	3.7
181.08595	100.0
195.10173	20.4
213.07680	5.9
213.11209	81.9
214.11528	3.2
410.18976	7.8
411.20047	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	410.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16176	1.1
55.01857	1.2
55.05496	1.8
67.05485	2.9
67.69011	1.1
69.07059	4.6
69.79382	2.8
69.79771	2.6
71.01347	1.9
79.05490	8.8
81.03410	3.8
81.07056	5.9
81.47476	1.2
83.05000	1.6
84.08084	1.5
85.02904	4.0
91.05489	7.2
93.07042	10.8
95.01314	2.0
95.04975	6.0
95.08595	1.6
97.02886	1.5
105.06993	2.1
107.04939	9.7
107.08578	5.4
109.06520	5.8
111.08064	13.8
114.24522	1.1
117.06982	7.1
119.08602	2.2
121.06522	1.9
125.02341	1.2
127.03920	3.0
135.04390	1.7
135.08061	12.6
137.05962	2.0
139.07545	1.7
141.05486	2.7
145.06458	1.2
153.04346	2.2
153.05466	15.2
153.09044	1.6
155.05797	1.6
163.07507	8.3
167.07016	5.0
169.08569	4.6
181.08582	100.0
182.08963	2.8
195.10127	19.3
213.11209	74.0
214.11488	3.2
227.58015	1.1
248.90375	1.1
307.16592	2.1
410.19067	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	410.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02861	1.9
53.03943	3.3
54.42507	1.9
55.05512	100.0
55.82443	2.4
57.03445	2.8
67.05504	23.1
69.07066	14.6
69.45086	5.8
69.45499	5.3
72.26367	2.2
73.02366	2.2
77.06434	2.1
78.94454	2.1
79.05498	16.5
79.84142	2.0
81.03420	3.9
81.07063	26.4
83.04977	2.7
83.08624	61.9
85.06491	2.2
91.05490	10.0
91.36414	2.2
93.07040	17.1
95.04987	7.0
95.08601	14.2
97.06535	8.7
97.10190	4.7
98.23412	5.1
105.07033	12.4
107.04919	4.1
107.08586	11.8
109.10212	10.1
111.08108	3.2
117.07050	4.7
119.08594	12.2
121.10149	7.4
122.99465	2.1
123.08120	2.7
123.11748	2.4
125.09708	2.4
131.08531	4.2
133.10115	13.3
135.08098	2.5
135.11711	7.9
137.09654	4.7
145.10115	6.2
147.11719	8.3
149.09639	4.8
149.13261	5.7
157.62524	2.0
159.11707	8.5
160.22449	2.0
162.48633	1.9
163.11246	6.4
165.85689	2.1
173.11736	3.2
173.13277	4.3
177.12711	2.7
181.12263	9.7
189.11182	2.0
193.12303	2.8
195.13814	5.5
199.13240	3.2
239.17963	2.1
257.18970	3.3
275.20056	33.3
279.26193	2.0
293.21075	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	410.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38560	8.6
53.04988	10.9
55.05516	100.0
56.46538	7.8
57.07056	10.5
67.05508	24.0
69.07072	30.9
72.81980	7.8
79.05500	30.9
81.07055	56.2
83.04984	10.6
83.08619	69.0
89.59158	8.1
91.05495	21.2
93.07050	36.1
95.04997	8.7
95.08609	30.1
97.06525	9.3
105.07050	15.0
107.08600	18.7
109.10172	16.1
111.04443	9.8
119.08618	13.5
121.10145	16.2
128.78447	7.8
131.08566	11.9
133.10097	18.1
135.11736	24.2
145.10135	19.6
159.11707	13.4
167.94025	9.8
181.12262	34.0
195.13782	14.1
199.13353	12.3
210.30130	9.5
253.23193	8.6
256.66766	9.3
257.18961	10.0
275.20001	25.3
410.19150	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	410.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24305	2.6
53.03942	2.9
55.01867	5.1
55.05513	100.0
55.05784	5.0
57.03445	2.5
67.05515	16.6
69.03417	5.6
69.07068	25.5
71.08618	2.6
71.19745	2.1
78.29398	1.8
79.05494	24.6
81.07058	18.1
83.04949	2.1
83.08621	81.3
86.68656	2.0
91.05466	13.8
93.07040	11.3
95.04967	4.2
95.08614	10.0
97.06565	4.6
97.10177	50.5
97.10815	2.8
98.97578	6.7
105.07039	13.5
107.04975	3.1
107.08592	41.5
107.09264	1.4
109.06520	3.0
109.10164	4.6
111.04445	2.3
111.08063	3.5
116.98659	2.8
117.07034	3.2
119.08588	8.9
121.10109	3.8
125.09634	37.3
131.08536	4.1
133.10149	7.2
135.08084	3.9
136.06143	2.4
140.31291	1.9
143.79089	2.2
144.27516	2.3
145.10112	7.2
147.11681	6.7
149.09599	7.0
159.11726	6.1
161.13295	2.7
171.10185	6.5
171.11649	3.1
173.13254	5.4
174.30780	2.3
189.11223	73.3
189.16426	4.3
190.11627	2.6
235.16966	5.3
239.17853	3.5
253.18001	20.8
257.19043	9.2
275.20059	64.3
283.54349	2.4
293.21057	5.8
294.62140	2.1
302.40576	2.2
302.88962	2.5
302.94659	2.5
309.08487	2.3
354.27844	2.2
357.27911	6.2
375.28735	4.8
392.21936	3.9
411.25168	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	411.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36721	1.3
54.16286	1.1
70.12810	2.5
98.97575	2.8
99.74268	1.1
100.02940	1.2
101.00888	1.3
128.58813	1.2
133.03450	3.8
157.03522	1.6
161.01205	2.2
171.05080	2.6
201.06062	1.5
203.03889	1.3
207.07149	1.6
235.81247	1.3
237.02612	1.3
249.08377	1.4
260.75931	1.2
295.08609	2.7
317.88687	1.3
351.11325	8.0
411.08994	100.0
412.09277	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	411.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	2.3
69.03445	1.6
69.07053	1.2
70.06610	1.2
71.56284	1.1
79.05499	2.2
81.07057	1.7
88.07665	1.4
91.05459	2.4
93.07037	1.6
95.08607	2.8
98.23476	4.6
98.50166	1.3
106.06542	2.5
107.08592	2.6
109.10178	2.3
115.05464	2.3
118.06534	34.3
119.08575	2.7
123.20120	1.5
130.06552	6.9
142.06528	3.8
143.07309	2.8
144.08081	20.8
146.06007	81.3
147.06340	2.6
149.02367	3.0
150.05515	5.3
161.13249	1.4
164.07063	42.9
165.07874	3.2
165.09123	3.1
169.07632	5.5
170.06010	8.6
182.08206	3.4
188.07069	86.4
189.07428	3.9
190.08606	1.9
193.04950	2.7
194.05383	1.6
194.09618	1.5
200.20123	1.6
201.20409	3.0
204.08153	1.6
218.09685	5.0
222.07533	1.4
224.09149	6.1
230.09680	1.8
232.09938	1.5
233.10719	3.3
234.09166	1.3
237.07765	2.6
245.10756	4.2
246.09050	2.6
247.12393	5.2
263.08447	2.2
265.09814	1.9
273.10275	3.1
275.11819	2.7
277.09750	2.3
279.11255	3.1
291.11252	13.1
305.12891	12.8
307.14420	1.9
337.11813	100.0
338.12216	6.7
349.11829	1.5
351.13382	74.6
352.13684	6.5
369.14456	2.1
379.12921	13.7
410.25424	1.6
411.15097	13.1
411.19724	3.7
411.25870	4.7
411.32413	1.7
412.15732	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
61.80428	0.5
69.64848	1.8
70.06573	0.7
74.35136	0.4
79.05469	0.6
81.07069	0.7
85.02884	0.8
91.05482	0.7
93.07073	1.0
98.22691	0.7
111.08064	1.1
118.07308	0.6
119.08616	0.6
135.08075	0.9
145.76997	0.6
151.71291	0.5
165.05516	2.3
169.08553	0.7
181.08551	2.1
182.08980	1.5
203.05260	22.8
213.11197	1.2
214.11562	1.9
231.09946	3.1
249.11270	0.6
249.13643	0.7
291.10837	0.5
411.16229	100.0
412.16736	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85524	0.4
51.37675	0.4
57.03425	0.7
67.23751	0.5
69.03436	0.6
69.39530	2.3
73.02904	0.6
79.05473	0.8
81.03436	0.5
81.07043	1.9
82.01614	0.5
82.07393	0.5
85.02893	1.3
86.03226	0.5
87.04481	0.5
91.05470	0.6
95.04971	0.7
95.08617	0.5
97.02890	0.9
98.22657	0.9
111.08088	1.8
112.08403	1.2
139.18230	0.5
145.05031	0.7
148.49237	0.5
168.67021	0.5
169.08585	1.0
170.09024	0.6
198.12112	0.8
213.11154	1.0
214.11620	1.4
249.07391	1.4
367.17041	0.6
411.12192	5.1
411.19894	100.0
412.20300	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	411.1984
Annotation	Flumethasone
Peak:m/z	Relative Intensity
52.36849	0.4
57.27027	0.4
66.48468	0.5
66.81339	0.4
69.03412	0.8
69.13013	1.0
69.13420	1.6
69.30231	0.4
73.02911	0.5
81.07040	1.3
82.07416	0.8
85.02907	1.1
97.02907	1.1
105.06922	0.5
109.06536	0.9
110.06845	0.8
111.08083	1.4
112.08418	0.7
133.04950	0.6
133.74463	0.4
145.04976	0.5
151.07607	0.5
160.61884	0.4
163.06020	0.6
165.03650	0.4
165.05383	0.4
170.08897	0.4
179.07088	0.7
180.07407	1.0
181.08617	0.8
182.08946	1.3
203.05254	2.1
213.11301	0.9
214.11627	1.2
224.59822	0.4
230.11012	0.6
231.13690	0.8
232.11458	0.5
249.07339	0.5
365.14508	0.5
411.19913	100.0
412.20288	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	411.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21677	0.3
53.29578	0.4
56.05030	0.8
58.60357	0.3
59.30771	0.4
62.33201	0.3
69.03419	0.7
69.07061	0.6
69.68127	0.7
69.68526	1.1
70.06847	0.3
73.02927	1.0
74.06093	0.8
83.08592	0.6
85.02912	0.7
86.09689	0.6
97.02885	0.8
99.73306	0.3
101.09663	0.5
105.79798	0.4
110.06014	0.5
115.03930	0.5
124.99980	0.5
146.06018	0.9
159.66753	0.4
164.06979	0.6
167.70801	0.4
178.08630	1.3
179.03175	1.9
181.94862	0.4
184.07343	1.8
196.09666	4.8
203.05228	3.5
213.18613	0.5
214.15254	0.4
224.74265	0.4
231.13525	2.0
249.07382	3.7
249.14690	0.9
255.08426	2.2
278.82684	0.4
338.84198	0.4
353.11884	0.3
353.15695	7.9
393.18985	1.1
411.12613	23.7
411.19864	100.0
412.12924	1.6
412.20203	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	412.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01875	5.2
55.05503	3.2
57.03439	17.3
59.04992	1.5
61.02925	18.0
63.77091	1.1
69.03427	30.2
70.03787	1.4
71.01373	3.2
71.05004	4.5
71.49722	1.6
72.64512	1.2
73.02917	85.3
81.03427	6.1
81.07051	2.3
83.08645	5.5
85.02903	100.0
86.03236	1.5
87.04465	5.9
91.03955	5.5
95.08556	1.1
97.02895	58.8
99.04465	3.7
101.09654	2.5
103.03955	2.4
108.28423	1.2
109.02883	9.4
111.08068	2.4
113.09658	2.4
115.03936	30.6
120.75202	1.3
121.06499	1.7
127.03915	31.9
129.05489	1.2
129.09102	2.3
133.04967	37.1
139.07538	4.5
141.09073	2.0
145.04950	48.2
150.07628	4.3
153.71017	1.0
163.06017	26.6
179.10655	1.4
193.05000	2.0
197.11763	1.7
199.06142	2.6
215.12813	4.3
217.07112	2.6
223.06030	5.7
227.12819	2.6
233.14006	1.4
241.07082	11.4
245.13986	2.0
259.08139	10.7
263.14944	4.7
277.09250	3.2
295.10312	3.5
356.12518	1.2
412.12830	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	412.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71074	1.9
57.03432	20.6
61.02935	4.3
69.03429	69.0
69.07043	1.9
69.48895	9.0
71.04988	2.7
71.61689	1.9
73.02901	4.0
75.04507	1.7
79.05441	2.0
81.03419	5.2
83.08598	2.0
85.02902	98.2
87.03967	3.7
87.04463	50.6
91.03940	3.1
97.02891	63.0
99.04438	5.3
109.02843	5.0
111.08064	4.1
112.08423	3.2
115.03926	72.4
119.71656	2.0
127.03925	23.9
133.04964	100.0
145.04961	48.3
150.07622	7.9
163.06001	31.7
169.04964	3.0
203.52385	1.8
213.11226	2.0
215.12825	4.1
233.13829	3.6
241.07095	3.1
241.45892	2.1
250.10902	2.5
259.08191	3.4
263.14828	8.1
272.06738	1.9
277.09204	4.1
295.10242	5.9
343.00827	2.7
400.65131	2.1
412.14359	3.0
412.20203	42.1
413.17874	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	412.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13028	5.8
53.03936	10.1
55.05500	21.5
64.87878	4.6
67.05500	50.4
69.07063	23.5
71.45786	7.2
79.05489	77.0
81.07046	39.9
83.08616	9.4
91.05482	44.4
93.07035	91.2
95.04963	17.2
95.08608	26.4
96.92239	7.7
105.07011	15.9
107.08582	52.6
109.10140	17.9
117.07000	6.5
119.08566	14.9
120.87782	6.0
121.10143	52.8
128.10684	9.5
133.10091	18.7
135.11667	41.5
140.10672	15.0
145.10193	6.8
147.11630	12.9
149.13235	20.7
161.13206	6.6
177.05504	7.4
185.13148	5.5
186.14828	5.8
233.11754	10.9
235.17006	7.8
254.66605	5.6
259.20413	6.6
277.21625	100.0
278.22083	10.3
333.17322	13.4
412.33771	19.8
438.71490	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	412.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	100.0
57.07084	7.9
67.05511	24.7
67.17360	6.6
69.07066	13.9
69.45295	14.5
69.45706	20.3
71.08636	9.3
79.05498	14.7
80.31854	6.5
81.07059	30.8
83.08618	70.5
91.05468	10.6
93.07045	25.2
95.08594	19.6
97.10172	8.8
97.48082	6.9
99.08073	10.3
105.07027	12.1
107.08606	15.7
109.10185	8.3
121.10172	8.3
133.10188	11.2
135.11723	13.9
139.11177	11.1
145.10112	8.7
149.13266	8.3
175.49146	7.5
195.13823	7.4
275.19574	6.2
277.21536	21.2
293.09753	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	412.3426
Annotation	Semiplenamide G
Peak:m/z	Relative Intensity
54.10287	1.0
55.05507	5.7
56.05015	1.7
57.06824	1.3
57.07081	17.1
60.04528	56.7
62.56275	1.0
65.03946	1.4
67.05508	11.0
69.07069	6.6
71.08630	9.7
79.05490	4.8
80.05019	1.1
81.07068	12.7
82.06579	8.6
83.04993	1.3
83.08619	4.0
84.08116	1.1
85.10183	5.8
86.09705	1.0
91.05479	4.1
93.07053	10.1
94.06572	16.9
95.04969	7.0
95.08611	9.2
96.08117	1.8
97.10159	2.0
98.09715	1.9
103.05443	1.8
109.06541	2.1
109.10158	3.6
110.09679	4.2
120.08099	4.2
121.06526	2.0
126.09156	5.8
138.09137	31.4
139.07515	4.4
156.10202	20.7
174.11238	9.7
239.23761	2.3
247.13060	2.3
256.26407	5.7
269.78058	1.2
279.41315	1.1
300.58548	0.9
326.41693	1.2
376.32028	1.6
394.33096	13.3
412.34213	100.0
413.16156	3.6
413.26389	5.4
413.34402	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	413.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30682	0.3
55.05499	0.5
57.03423	0.9
61.02911	0.4
69.03432	0.8
70.06576	0.6
71.05000	2.9
72.05313	0.9
72.08145	0.5
79.05495	0.3
81.07061	0.5
85.02903	4.6
86.03231	0.7
91.05470	0.5
91.09885	0.3
95.04922	0.4
97.02904	0.9
97.06512	0.3
98.23219	0.5
99.04460	0.4
105.07021	0.8
107.08548	0.3
120.08078	1.6
121.02808	0.3
127.03959	0.3
129.05479	1.5
133.06520	0.5
143.33334	0.4
145.04924	1.1
147.06516	0.7
163.03889	1.2
163.06136	0.3
166.08549	0.5
203.05296	0.9
219.06213	0.4
233.07838	0.4
238.99391	0.4
251.08873	1.0
292.67377	0.3
413.14090	100.0
414.14432	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94574	2.3
53.03926	2.2
55.05267	3.5
55.05510	38.5
56.26492	2.2
57.03432	11.0
58.51703	2.2
61.02913	3.0
69.03418	14.7
69.07077	5.6
69.14470	10.7
70.06580	6.8
71.04994	19.7
73.02910	10.7
75.04478	4.2
81.03379	3.0
83.04996	3.5
83.08118	4.8
83.08617	100.0
84.08130	3.0
85.02902	61.1
87.04480	3.9
87.08099	19.1
97.02905	15.7
97.92430	2.5
101.09653	94.7
102.05549	2.7
102.09966	2.3
103.03890	2.6
103.07603	2.1
108.89342	1.9
115.03925	9.6
119.10685	37.7
120.06589	8.1
127.03915	9.5
129.05461	12.0
133.04977	3.3
136.06177	61.3
137.05940	4.1
145.04953	9.4
147.06464	7.4
150.07722	4.1
159.18901	2.2
162.04112	46.2
163.05984	4.9
164.07173	2.5
170.05632	2.6
178.08466	2.2
181.95035	2.1
186.65726	2.2
279.77066	2.3
281.09964	47.5
351.22513	3.4
383.29495	2.2
404.26379	2.2
413.14172	17.2
414.13763	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37889	1.9
55.01888	2.7
55.05510	42.7
57.03444	12.7
61.02932	4.4
67.05511	2.2
69.03430	17.0
69.07070	5.5
71.04998	34.6
73.02924	5.8
75.04488	4.8
81.03415	3.7
83.05000	7.4
83.08622	100.0
85.02906	91.1
85.03420	4.6
86.03269	1.9
87.04478	7.8
87.08112	5.3
89.05347	2.0
93.07035	3.3
95.04993	2.4
95.08588	3.7
97.02901	19.8
101.09662	86.9
102.10044	3.3
103.07584	3.2
111.04442	3.0
111.08090	2.7
113.06017	2.9
115.03946	12.0
119.10687	35.3
126.05520	5.1
127.03938	7.5
129.05490	26.3
133.04984	13.2
136.06166	4.0
140.07864	2.2
145.04958	13.0
147.06563	12.6
162.04099	2.5
163.06093	5.3
164.07077	11.1
165.09157	3.6
171.10132	2.5
181.09760	8.3
183.10127	3.1
184.10548	3.1
196.09723	3.2
201.11284	3.3
202.11580	12.1
215.12796	5.3
216.13049	3.8
233.13696	2.8
234.14235	4.7
251.13992	7.5
255.08791	2.2
264.15781	2.4
290.62521	2.2
413.09976	17.8
413.18256	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	413.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70097	4.2
55.01862	6.0
55.05260	6.2
55.05512	96.1
55.47446	4.0
57.03437	5.5
57.07078	16.3
59.05004	11.0
67.05503	81.4
69.03425	5.9
69.07064	100.0
69.09917	10.0
69.10319	18.8
71.04988	20.5
73.06560	97.1
73.09651	4.6
74.03706	42.0
77.02420	6.1
79.05494	34.6
81.07054	82.9
83.04990	57.3
83.08616	17.9
85.06541	21.2
85.15096	4.2
87.03977	5.3
87.04484	17.4
88.49428	4.4
91.05483	72.1
93.07043	34.2
94.76752	4.5
95.04973	14.3
95.08617	62.1
97.06540	14.7
99.08109	6.9
101.09655	14.2
105.07037	40.5
107.08596	32.7
109.06520	36.5
109.10181	37.8
111.04458	7.1
111.08081	8.7
117.07035	9.5
119.08556	29.6
121.10153	19.5
123.08083	28.5
123.11706	15.2
125.05976	28.5
131.08553	8.0
133.08607	95.5
133.10118	50.4
135.08041	12.0
135.11656	21.9
137.05960	21.6
137.09590	8.4
137.13240	6.7
143.08577	9.7
145.10141	8.8
147.11668	20.9
149.09651	6.8
151.07559	7.1
151.11208	18.2
152.08344	5.8
153.12706	11.3
155.07039	12.6
159.11723	8.4
161.09569	24.0
161.87550	4.1
163.11238	6.3
165.09113	11.1
165.12785	14.3
175.11128	4.4
179.10738	6.4
179.14369	5.5
180.49695	5.2
181.12228	11.0
183.13814	5.1
197.15410	10.9
205.19389	4.5
209.15367	12.8
223.20605	12.8
231.16064	5.8
263.20071	9.6
278.18793	11.8
296.19803	18.9
336.26541	5.7
367.33121	4.5
379.28561	28.1
398.13092	6.4
412.14728	9.8
413.15817	79.4
413.26535	52.2
414.16010	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	413.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.7
55.05509	24.4
57.03431	5.1
57.07075	15.9
59.05001	3.9
59.21284	2.6
65.03931	4.8
67.05505	86.7
67.76517	2.5
69.03429	6.4
69.07069	50.0
69.25307	17.3
71.04990	28.4
71.08634	9.6
73.06554	2.8
77.02414	7.1
77.03946	3.6
79.05487	34.9
81.07058	75.1
81.07507	5.9
83.04999	11.9
83.08624	12.1
85.06527	20.4
89.06038	6.1
91.05479	100.0
93.07048	39.0
95.04968	23.5
95.08612	52.8
97.06527	17.2
99.04465	5.7
99.08113	4.6
103.05442	2.9
105.07036	59.2
107.04928	5.0
107.08588	34.0
109.06506	24.2
109.10151	42.8
110.10560	3.0
111.04466	5.2
111.08086	4.3
113.05972	5.9
117.07021	12.7
119.08572	31.0
121.06508	12.7
121.10125	15.9
123.08080	16.2
123.11714	7.7
123.75784	3.2
125.06009	11.1
128.06236	8.6
131.08575	7.7
133.08607	4.4
133.10124	78.2
135.08047	7.2
135.11671	15.2
137.05977	3.8
137.09642	7.9
137.13324	4.8
143.08611	15.4
145.10190	4.2
147.11719	13.4
151.11179	22.0
153.12778	10.3
155.07083	6.2
161.09605	32.8
163.11172	6.9
165.09171	7.0
165.12704	6.7
171.13905	4.7
179.14290	14.6
181.12225	11.3
183.13766	6.0
197.15413	10.0
201.14792	4.1
209.15335	15.9
225.18498	10.2
231.15956	13.4
247.13127	8.6
267.19666	5.7
271.15323	15.0
279.19495	6.6
347.25705	6.5
379.28369	21.0
390.25824	3.5
395.24411	5.2
413.26474	69.1
414.26974	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	413.3052
Annotation	Testosterone cypionate
Peak:m/z	Relative Intensity
53.03945	4.7
55.01849	3.6
55.05512	57.8
57.03428	4.0
57.07077	4.8
61.86443	2.8
67.05505	33.6
69.07066	24.4
71.05010	3.7
79.05505	22.1
81.07050	34.9
83.04990	6.7
83.08617	37.8
90.26922	2.7
91.05466	21.7
93.07037	24.1
95.04964	7.4
95.08602	59.5
97.10152	3.2
101.42311	2.9
105.07019	28.5
107.04954	5.7
107.08617	15.2
108.64459	3.2
109.06525	7.9
109.10161	13.7
111.08064	7.9
113.09653	4.5
117.07005	20.7
119.08583	21.7
121.06480	4.2
121.10130	11.1
121.30740	3.0
128.06204	3.7
129.07011	13.3
131.08557	23.3
133.06535	4.3
133.10095	17.3
135.08031	7.3
135.11740	5.8
141.06963	7.8
143.08549	11.8
145.06451	10.6
145.10126	21.6
147.08032	4.5
147.11659	8.8
154.07776	3.8
155.08531	6.8
157.06439	4.9
157.10127	14.1
159.08102	5.1
159.11671	16.8
169.10109	12.2
171.08069	5.9
171.11685	12.9
173.09650	10.9
173.13246	7.4
175.10995	4.1
183.11719	7.9
185.13184	5.2
187.11163	5.1
187.14751	6.4
197.13264	5.4
199.11192	4.4
199.14819	4.1
201.12724	7.6
211.14801	3.8
225.16446	3.1
229.15881	4.2
239.17848	3.5
243.07787	3.3
271.20367	4.7
285.22272	17.2
287.20020	4.6
289.21472	5.5
327.23355	6.0
395.29440	34.9
396.29791	7.5
413.25299	6.9
413.30417	100.0
414.30713	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	414.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43263	1.6
54.37070	1.7
55.01862	3.4
55.05504	3.1
57.03434	22.0
59.04996	5.3
61.02932	8.6
69.03431	84.7
70.73187	3.0
71.04987	5.5
73.02905	4.6
79.05494	2.1
81.03415	15.2
81.07048	2.9
83.04990	4.0
85.02905	100.0
85.06549	21.4
87.04469	57.9
87.24728	1.8
91.03958	5.6
91.05485	2.2
93.07060	2.0
95.04948	2.7
97.02893	68.3
98.18104	1.7
98.97583	8.7
99.04453	5.4
107.72717	1.8
109.02904	4.6
109.06493	4.0
115.03931	85.7
121.06453	2.1
123.08051	5.4
127.03922	19.4
129.05475	1.9
133.04970	96.1
135.08070	3.3
145.04964	42.5
150.07590	6.4
151.07584	3.9
153.09113	6.4
153.55707	1.9
163.05997	15.6
163.07333	2.4
169.04987	2.3
181.08627	3.4
184.97147	1.8
199.09676	29.1
211.09679	1.9
217.10696	4.4
229.10744	18.7
241.07072	3.8
259.08133	5.6
274.57291	1.7
274.97403	8.2
277.09390	2.1
295.10229	6.9
320.33005	2.0
414.14279	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	414.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.3
57.03432	21.9
59.04994	3.9
60.04515	3.4
61.02926	8.8
67.05505	1.9
69.03430	74.6
70.70403	1.9
73.02918	5.4
79.05477	2.3
81.03423	11.1
81.07049	3.5
83.04978	3.4
85.02905	100.0
85.06542	21.0
87.04467	56.9
91.03967	4.4
93.07059	2.3
95.04981	3.4
95.08630	1.8
97.02895	71.1
98.97625	1.8
99.04444	4.7
107.14102	1.9
109.02892	5.8
109.06506	4.4
115.03931	80.0
116.04205	2.2
121.06509	2.0
123.08032	4.2
127.03918	20.4
133.04964	85.4
135.08029	5.4
141.41022	1.8
145.04958	38.7
150.07568	3.7
153.09100	10.0
163.06000	14.9
181.08627	3.2
199.09641	23.3
211.09518	2.6
217.10703	4.3
229.10602	15.3
259.08072	6.0
274.97543	2.9
295.10245	4.4
415.15656	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	414.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.01854	2.2
57.03440	24.6
58.69658	0.8
59.04991	1.5
60.04500	1.1
61.02927	10.5
63.36159	0.7
67.05449	0.8
69.03429	43.7
69.19182	3.7
71.01345	2.7
71.04984	2.4
73.02498	1.1
73.02916	40.4
81.03426	5.6
85.02904	100.0
86.03242	0.8
87.04467	18.3
90.90124	0.8
91.03949	2.9
97.02892	52.3
98.03232	0.8
98.22707	1.6
99.04435	3.9
104.79703	0.8
109.02857	7.0
111.95248	0.9
113.42306	0.8
115.03929	47.8
127.03914	26.4
133.04965	38.3
139.03914	1.0
145.04956	49.4
146.05261	1.0
150.07613	6.0
163.06021	29.8
169.04967	1.3
223.05937	2.5
241.07033	4.3
259.08063	4.1
265.16403	3.5
277.09125	1.4
295.10272	3.6
402.42624	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47641	0.9
53.16027	1.0
53.51669	0.9
55.01866	6.4
57.03434	15.5
59.04996	1.3
61.02921	15.4
61.23773	1.0
65.61198	1.0
68.10730	0.9
69.03432	27.3
69.24831	2.3
69.25241	3.9
70.03773	1.0
71.01367	3.0
71.04990	1.7
73.02914	67.6
81.03419	3.4
85.02901	100.0
87.04456	6.4
91.03950	5.8
96.04430	1.5
97.02888	52.5
99.04467	4.6
101.02440	1.6
103.03949	4.0
109.02863	7.6
115.03926	31.0
119.00940	0.9
127.03910	35.9
133.04964	39.0
145.04955	56.7
150.07622	2.5
163.06003	30.1
172.24210	1.1
193.05014	1.6
217.07130	1.8
223.05998	5.8
241.07080	6.4
241.58339	1.1
259.08176	8.5
265.16373	3.0
277.09119	1.9
295.10251	3.4
356.84042	1.1
415.23282	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	414.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20446	1.0
53.03943	1.0
55.01875	6.3
57.03435	15.4
59.04996	2.8
61.02633	1.4
61.02929	15.5
62.56522	1.0
69.03429	33.2
69.24429	4.9
71.01362	3.0
71.04982	1.1
73.02917	71.8
81.03405	6.7
85.02903	100.0
86.03246	1.2
87.04474	5.1
87.92096	0.8
89.60435	0.8
91.03954	4.6
97.02892	56.2
98.03228	1.5
99.04446	3.0
103.03940	2.3
107.08620	1.3
109.02867	8.6
115.03929	30.2
127.03910	31.8
133.04088	0.7
133.04958	41.4
145.04956	55.2
146.05240	0.9
150.07635	2.8
163.06021	32.8
181.04893	1.1
193.04985	1.8
199.06053	1.1
223.06003	5.4
241.07080	8.2
259.08093	9.3
265.16467	3.4
277.09195	3.2
295.10144	3.1
326.11429	1.2
341.13452	1.3
342.27933	0.9
414.18030	2.6
415.18549	1.5
415.23196	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	414.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.0
55.11763	2.0
67.05499	13.9
67.65909	2.1
69.07066	100.0
69.56258	7.2
69.60312	2.3
71.05002	4.6
79.05481	7.0
81.07055	19.8
84.18429	2.6
85.06538	4.1
91.05470	8.8
93.07035	7.1
95.08601	16.3
101.09653	94.3
101.10318	5.9
102.09963	3.4
105.07066	4.8
107.08585	7.1
109.10149	4.4
119.08569	52.3
121.10147	3.7
121.12608	2.7
131.08577	3.4
132.46078	2.5
135.11684	3.5
145.10059	2.8
147.11678	8.1
155.00993	2.9
165.12720	4.0
185.06892	2.3
197.15367	3.1
261.22064	2.9
279.19586	4.8
319.26266	2.8
342.56180	2.4
347.25748	16.3
350.16989	3.5
354.14319	8.1
372.15277	12.6
379.28415	19.1
414.16376	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55180	1.8
55.05523	1.8
56.96581	4.3
67.05518	5.7
69.07075	7.7
79.05497	2.3
81.07067	7.5
91.05496	5.8
93.07061	5.0
94.80091	1.6
95.08620	6.3
98.22727	4.2
98.98489	3.4
105.07017	3.3
107.08609	4.4
109.10162	2.6
119.08581	33.8
121.10175	4.9
131.08514	1.8
135.08080	1.8
135.11697	3.4
145.10078	2.3
149.13240	3.0
155.01057	2.8
165.12640	1.8
197.11858	2.3
261.22223	7.4
293.06812	6.0
333.11346	1.9
333.17288	13.9
347.25793	8.6
351.18454	27.3
355.15646	8.3
365.26813	3.6
369.19592	4.3
373.16595	8.6
374.20096	3.6
379.28333	4.1
415.17664	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	4.2
57.07076	11.0
58.92233	3.5
61.34427	3.3
64.16099	3.4
67.05494	8.0
69.07071	4.1
79.05486	6.5
81.07059	9.4
85.06525	9.2
91.05487	9.9
93.07037	5.7
93.51875	3.2
95.04976	5.4
95.08603	3.6
98.98478	3.4
105.07055	5.9
107.08631	5.5
117.06995	3.8
119.08575	100.0
121.10123	3.2
123.94673	3.3
126.89668	3.8
133.10161	4.6
135.08009	6.5
135.11760	3.5
147.11775	3.8
153.29657	3.4
155.01108	4.0
221.85367	3.9
261.22318	5.9
263.20059	8.4
333.17297	12.9
341.83582	3.6
347.25751	12.1
355.15530	15.4
357.13348	4.6
365.26877	12.5
373.16574	8.4
406.44458	3.9
414.26697	7.8
415.17590	41.5
415.22827	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	414.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68719	1.1
55.05514	14.6
56.05029	1.3
57.06835	1.5
57.07078	11.1
67.05510	2.8
69.07071	24.2
69.96095	3.7
71.08630	7.7
72.72433	1.2
81.07056	3.9
83.08614	17.8
85.10168	4.0
91.05476	3.0
93.07083	2.5
95.08604	3.9
97.10177	17.6
101.13439	1.2
102.05536	10.5
104.07103	100.0
107.08591	1.3
111.11724	8.6
117.30158	1.3
119.08578	33.2
121.10121	2.0
125.13251	2.6
135.11659	1.8
138.09435	1.2
139.14841	1.4
146.23250	1.2
159.13586	1.3
187.25394	1.2
275.27426	2.3
293.28375	8.6
311.41537	1.3
396.34714	16.3
414.36121	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	4.1
85.02901	6.6
91.10796	3.3
97.02837	5.3
204.02818	3.7
213.03429	5.4
222.03940	7.5
245.11331	3.6
294.06058	4.8
322.90741	3.4
415.03888	9.1
415.09897	100.0
415.15433	7.7
416.15433	5.1
416.20685	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	415.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.0
54.84512	1.1
57.03427	1.9
59.06483	0.9
59.40704	1.1
60.68049	1.0
69.03414	2.1
70.06606	1.8
70.43262	1.5
73.02911	1.5
81.03427	1.3
85.02912	7.1
85.06561	1.0
87.04472	1.6
97.02875	3.3
98.03262	1.1
98.97535	2.4
103.07565	1.9
107.04917	1.1
115.03955	1.6
127.03841	1.3
139.03857	1.4
145.04953	2.8
163.03911	1.4
163.05971	1.2
165.05431	0.9
167.07024	1.5
203.05283	1.7
253.06793	1.4
271.04871	1.2
274.97409	2.2
292.98550	1.3
314.72525	1.0
335.09430	2.4
387.16470	1.4
415.11880	97.5
415.15851	100.0
416.11295	5.7
416.16220	5.3
416.20914	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
62.53879	0.3
69.03420	0.6
70.52321	0.7
79.05502	0.9
81.07047	0.3
83.04957	0.8
87.24550	0.3
95.04977	0.8
97.02895	0.7
98.39323	0.4
103.05450	0.3
107.04937	1.6
109.02866	0.4
109.06519	0.7
111.04450	0.6
121.06525	0.8
125.02361	1.2
135.04433	1.6
137.05956	0.5
139.03900	2.4
149.06024	0.7
151.03938	0.5
153.05522	0.5
163.07599	0.5
165.05492	2.1
167.07050	2.2
177.05449	0.5
197.08060	0.9
203.05251	2.3
203.24608	0.3
209.08040	0.6
215.17592	0.4
235.09383	0.9
253.10797	0.3
313.12747	0.9
383.13278	1.0
397.14862	0.8
415.15741	100.0
416.16049	6.7
416.20688	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.4
69.03423	0.7
69.28378	2.0
70.06580	1.3
76.26802	0.4
85.02883	0.6
86.09744	0.5
88.21175	0.4
91.05493	0.6
95.04964	0.4
97.02879	1.2
105.09147	0.7
107.04977	0.9
111.04444	0.5
115.03915	0.4
121.06489	0.5
124.50518	0.4
125.02341	0.5
135.04468	0.6
139.03886	0.6
141.40244	0.4
165.05544	0.8
166.08636	0.4
167.07022	0.7
235.70166	0.4
259.86551	0.5
299.07874	0.5
343.09979	0.8
383.12958	1.1
391.64606	0.4
394.73953	0.5
397.14307	0.7
415.15710	100.0
416.15857	5.0
416.20566	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	0.4
69.03426	1.5
70.06588	0.8
70.20832	0.9
71.07552	0.5
72.08169	0.5
73.02953	0.4
85.02897	5.5
87.04453	0.8
87.08097	0.7
97.02882	1.8
99.04443	0.5
109.02875	0.5
111.27398	0.4
115.03940	1.0
127.03912	1.3
133.04935	1.0
145.04939	3.1
148.03650	0.5
163.06010	1.4
253.06798	0.8
361.14786	0.5
397.14780	0.8
415.15784	100.0
416.15997	5.5
416.21045	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.177
Annotation	Kadsulignan L
Peak:m/z	Relative Intensity
50.84213	0.6
55.05504	0.9
55.80870	0.7
56.96545	3.5
67.05500	2.9
69.07065	1.7
69.36184	3.2
71.08659	0.7
74.02858	0.7
79.05482	2.2
81.07056	2.8
91.05468	3.9
93.07049	3.2
95.04941	0.7
95.08598	2.3
98.91977	0.8
98.98466	3.9
105.07058	1.3
107.08585	2.2
109.10163	1.6
117.07028	1.4
119.08576	36.4
120.08892	1.2
121.10110	1.7
128.98654	0.9
131.08636	1.0
133.10123	1.1
135.07968	1.2
135.11702	2.1
136.20274	0.6
145.10133	0.7
147.11688	0.7
149.13261	1.3
155.01056	4.5
173.13316	0.9
189.07935	1.1
243.21103	1.4
261.22104	4.8
289.16885	0.7
293.06702	3.3
333.17371	10.9
344.97861	0.7
347.25806	1.0
348.25754	1.1
351.18411	23.0
352.18970	1.3
355.15509	7.8
369.19507	4.8
373.12042	1.3
373.16559	10.1
374.20383	4.2
396.18262	1.3
415.17651	100.0
416.18268	5.3
416.25583	0.8
433.18304	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69899	0.3
56.05027	0.4
62.97825	0.3
69.07067	6.8
69.41225	0.6
69.41634	0.9
72.08162	0.3
75.05598	2.7
79.05476	0.4
86.06074	4.3
86.09704	100.0
87.10008	1.5
88.93795	0.3
101.64439	0.3
104.09921	0.3
107.08588	0.3
109.83043	0.3
114.05526	9.8
115.05876	0.3
132.10234	1.4
143.10658	0.7
143.11797	14.0
153.06625	0.5
171.07646	3.0
171.11293	3.0
238.15538	0.6
245.18530	0.7
256.16559	15.3
257.16840	0.7
284.16052	5.9
285.16690	0.3
302.21039	0.3
307.98465	0.3
397.24155	0.3
415.18463	0.4
415.23087	0.4
416.20221	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45565	0.4
67.05500	0.4
71.10632	0.5
72.04530	0.5
79.05475	0.4
81.07050	0.6
91.05476	2.2
93.07037	0.7
94.26842	0.4
95.08562	0.4
107.08590	0.9
111.68043	0.4
117.07003	0.5
119.08578	24.8
120.08939	0.6
121.06483	0.4
130.57018	0.4
133.06543	0.4
135.08018	0.6
245.41200	0.4
317.20715	0.5
415.28174	100.0
416.20654	4.2
416.28461	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	415.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	0.8
69.07076	0.8
69.48955	2.9
79.05492	0.6
81.07029	1.0
81.41348	0.6
91.01890	0.6
91.05486	2.1
94.82911	0.6
95.08640	0.7
96.81496	0.6
105.06998	0.9
107.08569	1.2
117.07015	0.7
119.08577	41.0
120.08917	0.9
135.08057	1.1
145.10129	0.8
181.24237	0.7
190.12334	0.7
286.40570	0.6
306.20251	0.6
399.81458	0.6
415.28159	100.0
416.20590	4.8
416.28491	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	415.3208
Annotation	Calicoferol I
Peak:m/z	Relative Intensity
55.01863	4.8
55.05513	24.3
57.07064	4.4
58.58825	1.5
59.03664	1.5
65.83398	1.4
67.05505	11.6
69.03438	2.2
69.07066	9.4
69.23562	8.3
71.08647	1.6
79.05508	9.7
81.07062	15.7
83.04980	1.9
83.08620	19.1
85.10168	2.3
91.05474	17.2
93.07042	9.4
95.04977	3.3
95.08598	14.0
105.04502	1.9
105.07028	15.6
107.04939	4.2
107.08615	8.4
109.06515	3.7
109.10168	3.4
110.39262	1.8
111.08069	3.4
113.09608	2.6
115.05489	2.0
117.06287	1.6
117.06998	9.8
119.08582	100.0
120.08896	2.0
121.06486	2.5
121.10136	3.8
125.09640	2.2
129.06987	5.1
131.08557	7.0
133.06485	5.9
133.10152	6.1
135.08034	2.5
135.11623	2.7
143.08545	7.6
144.99123	1.6
145.06519	2.5
145.10110	7.1
146.07077	1.5
147.08064	3.8
147.11652	3.2
149.13249	2.7
155.08575	3.1
157.10110	5.4
159.11674	5.6
161.09648	2.1
161.13258	2.4
169.10165	3.7
171.11681	3.7
173.13239	3.9
183.11650	2.8
185.13237	3.5
187.14859	1.8
197.13110	1.9
199.14844	2.4
201.12741	1.6
203.14301	1.9
209.10651	1.5
213.16310	1.8
229.15327	1.4
229.74368	1.5
260.49826	1.6
267.20636	1.6
285.22061	5.3
287.23636	8.9
289.16589	2.0
289.21570	4.5
291.23590	1.7
303.23132	3.2
327.23215	2.1
361.42770	1.6
397.30936	24.8
415.27789	10.6
415.32529	37.5
416.20749	15.6
416.32498	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	416.1376
Annotation	Xylostosidine
Peak:m/z	Relative Intensity
51.07261	0.4
58.64214	0.5
61.01142	4.5
67.05499	0.6
69.03431	2.3
69.80588	1.2
71.04993	0.8
79.05505	1.2
81.03409	1.0
81.07070	0.9
85.02899	3.4
88.02213	78.5
88.30612	0.4
91.05457	0.6
93.07050	1.2
95.04981	1.1
96.04488	2.4
97.02887	11.6
98.23369	0.5
99.04437	0.4
103.05431	0.6
106.06541	1.7
107.04971	0.9
108.04474	0.5
121.06471	1.4
122.02415	0.9
122.06043	0.5
123.04387	0.5
124.03948	54.6
124.07603	0.7
125.04322	0.6
126.05524	5.0
127.03905	0.6
136.07558	0.8
138.09073	0.5
140.03448	0.7
146.06047	0.4
148.07549	2.1
149.05988	3.1
150.06418	0.5
150.09125	0.6
151.03908	1.5
152.07056	0.6
156.04747	1.0
164.07123	1.2
166.06853	1.5
166.08733	0.6
167.07104	0.4
176.07106	2.6
176.08432	0.4
184.04269	100.0
185.04608	2.4
186.05856	6.0
194.08099	1.0
220.09651	0.7
235.14445	0.5
236.07489	2.9
236.12791	0.5
254.08449	94.0
255.08780	4.1
377.52539	0.5
398.12686	0.6
416.13708	5.0
416.20786	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	416.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33819	1.4
53.03946	2.4
55.01881	2.6
57.03434	9.0
61.02930	9.1
63.62347	1.3
69.03427	23.7
69.07068	3.5
69.94740	4.2
71.04979	2.4
72.08154	2.0
73.02917	2.2
77.96532	1.5
81.03419	5.4
84.08161	1.8
85.02905	100.0
86.03243	2.3
86.09686	2.5
87.04455	8.8
87.08100	24.1
91.03955	5.4
97.02889	29.7
99.04478	4.0
105.09118	1.7
109.02882	8.3
113.00689	1.6
115.03934	16.5
124.34699	1.5
125.49208	1.7
127.03917	27.3
133.04962	15.2
133.05968	2.3
145.04951	52.5
145.06088	3.0
146.05357	1.7
163.03998	1.8
163.06017	32.5
170.31798	1.5
237.13295	3.2
240.01639	1.5
255.08392	2.1
267.14404	6.0
321.04419	1.6
360.61670	1.7
416.16110	56.6
416.20932	9.4
417.17587	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.4
57.03448	1.1
57.07077	2.1
60.24246	1.0
67.05506	7.8
69.07068	17.6
69.21819	2.2
69.22215	4.2
71.04989	4.5
71.08633	9.7
74.43237	1.1
79.05499	4.5
81.07056	11.9
82.57480	1.0
83.08601	7.7
85.06549	2.3
88.04771	0.9
88.07591	1.0
91.05494	2.9
93.07043	7.8
95.04979	1.9
95.08622	6.2
97.06540	3.3
97.10162	1.9
98.23463	1.8
98.98498	1.6
99.04424	2.0
99.08089	9.2
100.25072	1.0
107.08595	6.4
109.10162	4.1
111.04426	2.6
111.08025	1.4
111.11701	1.4
118.06495	1.0
119.08576	14.7
120.08918	5.2
121.10164	3.9
123.11688	2.0
125.06005	3.3
131.08559	3.1
133.10133	1.8
135.11682	2.1
149.13257	6.9
155.01077	1.6
157.10152	1.1
159.11717	2.2
162.12796	1.4
167.14345	2.3
169.12236	100.0
170.12598	3.5
174.12848	1.2
174.41994	1.1
185.13257	1.1
215.14294	2.0
216.14607	1.5
219.17554	1.4
231.15907	9.6
237.18491	8.7
265.17972	41.6
266.18240	2.9
283.19122	10.7
289.16696	3.0
416.20679	20.0
416.37152	1.8
417.21295	2.1
417.26196	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46799	3.5
55.05507	17.9
57.07063	10.9
61.55371	3.9
67.05502	40.8
69.07063	25.0
69.19900	21.3
71.04992	6.4
71.08632	29.0
79.05509	26.0
81.07056	51.1
83.08616	44.8
85.06503	4.7
91.05473	10.8
91.47253	3.7
93.07044	30.8
95.04965	4.2
95.08608	31.0
97.06513	11.4
97.10162	4.8
98.98480	23.6
99.04462	4.8
99.08094	33.8
105.07040	11.2
107.04939	6.2
107.08603	23.0
109.10141	14.2
111.08091	12.2
119.08600	49.9
120.08907	22.5
121.10143	9.9
123.11703	4.9
131.08542	5.7
133.10141	8.9
147.11652	6.0
149.13252	34.9
155.01044	34.7
159.11650	7.1
162.12762	5.3
167.14270	11.7
169.12206	12.5
174.12802	8.9
177.12674	4.5
184.37639	3.4
187.13315	6.5
190.12180	7.6
213.14838	5.8
223.16893	4.9
231.15866	42.8
232.72925	3.7
241.17947	11.8
242.15366	4.0
245.22684	5.5
263.23694	15.4
265.17950	20.8
270.14905	3.5
279.84595	3.6
283.19019	88.3
289.16656	5.8
317.17224	11.1
339.25122	6.1
342.16846	5.1
354.91592	4.2
362.30484	4.5
388.20911	5.8
398.19849	5.2
416.20694	100.0
416.31485	35.1
417.20743	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	417.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
55.01868	2.9
61.02937	1.5
63.95471	1.2
65.03940	4.9
67.05499	3.1
69.03425	4.9
71.02398	1.4
71.04991	2.5
72.08166	2.0
77.03939	2.0
79.05486	5.6
81.03422	3.6
81.07051	2.2
85.02898	10.9
86.09710	2.6
91.05491	10.9
93.03415	4.0
93.07034	7.1
95.04967	70.8
96.05307	1.5
97.02881	5.4
97.06547	2.0
103.05476	2.7
105.03400	1.2
105.04512	4.7
105.07047	6.9
107.04954	24.0
107.08636	2.9
109.06526	2.9
111.04478	2.3
115.05461	3.3
117.07011	13.9
119.04907	1.3
119.08580	3.5
121.02871	22.8
121.06538	10.8
123.04430	39.5
123.08005	1.8
125.02332	8.0
125.05987	1.5
128.06190	2.0
129.06990	4.2
131.04935	4.2
133.02835	3.1
133.06516	1.5
135.04425	5.0
135.08078	5.9
139.03911	7.6
145.06476	20.4
147.04405	3.7
147.08051	7.2
149.02353	8.2
149.05960	10.6
151.03900	35.7
151.07530	2.6
152.04207	1.4
155.06023	2.3
159.04413	2.3
163.03908	8.2
163.07564	13.5
165.09180	1.9
167.03397	24.8
167.07065	2.4
169.04929	3.6
173.05992	9.9
173.13210	1.5
175.03935	4.6
175.07610	3.1
177.05479	7.6
185.04448	78.3
185.12926	1.4
191.07030	22.6
193.08557	3.0
201.05498	4.4
207.13832	1.6
209.08144	2.7
219.06531	12.8
219.13756	2.7
220.06995	1.3
237.07587	17.0
237.14842	4.4
238.08046	1.8
245.48749	1.4
255.08635	100.0
256.08917	3.5
260.86050	1.3
262.17477	1.5
417.16495	2.3
417.21518	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	417.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01881	3.3
61.30887	1.2
61.52078	1.4
65.03930	3.9
67.05494	4.2
69.03419	3.8
71.04984	1.7
77.03902	3.3
79.05492	6.9
81.03416	3.5
85.02895	5.1
86.53179	1.6
91.05471	11.7
91.40768	1.4
91.42428	1.6
93.03403	4.9
93.07031	11.7
95.04963	87.7
95.45739	1.2
97.02886	7.4
100.06625	1.2
103.05459	3.8
105.04510	4.9
105.07003	7.4
107.04955	28.1
109.06533	2.3
111.04443	3.6
112.00132	1.3
115.05449	4.6
117.07022	16.8
119.04950	1.5
119.08562	3.7
121.02859	27.8
121.06506	12.6
123.04428	42.4
123.08007	1.2
124.04826	1.3
125.02351	13.4
129.07005	4.7
131.04874	7.2
133.02861	4.9
133.06430	1.5
135.04457	2.9
135.08051	5.8
139.02994	1.3
139.03847	7.0
145.06477	18.6
147.04399	3.1
147.07985	6.7
149.02390	7.7
149.05983	10.7
151.03891	38.7
153.05432	3.1
155.06079	2.4
163.03906	3.0
163.07523	14.7
164.89905	1.3
165.08963	1.6
167.03386	28.4
167.07007	1.8
168.03725	2.0
169.04950	4.7
173.05975	12.6
175.03883	6.1
175.07559	6.2
177.05446	6.0
185.04445	86.7
186.04793	2.6
191.07045	28.2
193.08647	3.3
201.05481	2.7
208.94302	1.3
209.08119	3.1
219.06519	16.2
219.13789	1.5
220.06822	1.6
237.07571	16.1
255.08624	100.0
256.08990	4.6
278.13159	1.3
417.16461	2.4
417.21466	1.8
433.35135	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.155
Annotation	Comazaphilone E
Peak:m/z	Relative Intensity
55.01846	1.5
55.05503	0.7
65.03940	4.5
67.05510	2.9
67.98998	0.7
69.03400	1.8
69.07040	2.2
69.25251	3.1
69.66140	0.7
71.04980	1.0
77.03905	0.9
78.04697	1.8
79.05117	0.5
79.05495	6.7
81.03400	1.0
81.07059	3.5
82.04169	1.7
83.04970	0.7
85.02894	4.9
86.06065	0.6
86.09708	12.2
87.10025	3.9
90.04667	1.0
91.05487	4.6
93.03387	1.6
93.07024	2.1
94.04192	0.8
95.04969	5.4
95.08605	1.3
97.02885	0.8
97.06513	2.2
101.06032	0.7
102.04657	0.8
103.05471	18.5
105.03391	1.2
105.04521	0.8
105.07034	4.7
105.97600	0.6
106.04141	1.7
107.04960	8.8
107.08563	1.0
109.02889	0.7
109.06516	1.9
109.10147	1.7
110.03625	1.9
111.04433	1.6
114.05546	1.4
115.05444	5.2
117.07018	6.3
118.04153	4.8
119.04927	1.2
119.08562	1.6
121.06478	1.4
121.10134	0.9
122.03656	0.7
123.03569	0.9
123.04406	6.6
123.11685	0.7
124.05260	3.6
125.05975	2.3
125.09615	1.7
127.05347	0.7
127.11208	0.7
129.07004	0.9
130.04126	1.6
131.04926	16.6
131.08556	1.3
132.05421	0.8
133.02853	2.2
133.06473	3.3
133.10114	1.1
134.03595	1.1
135.04344	0.8
135.08028	1.8
135.11679	1.1
137.05975	1.9
138.03081	1.6
143.04950	0.8
143.11797	1.5
144.05728	0.8
145.06479	7.8
145.10149	1.0
146.03624	1.1
147.04364	1.0
147.07985	1.0
148.04065	1.0
148.05183	12.3
149.05952	1.4
151.03903	1.8
152.04662	2.6
153.01802	0.8
153.05460	4.2
155.06010	3.7
156.05734	0.7
157.06506	1.0
159.04315	0.7
159.08023	0.8
161.05962	3.1
162.03058	0.7
163.07536	19.0
163.11157	0.9
165.05489	1.5
165.06906	0.7
167.07037	100.0
168.07365	2.7
171.06525	4.3
173.05984	18.3
175.07527	1.4
176.04692	2.6
177.05479	1.5
179.06967	0.8
181.04951	83.9
182.05301	2.4
187.07497	1.6
191.07028	65.7
192.07356	2.7
193.08589	0.7
195.06514	2.2
201.05453	1.3
203.06956	0.7
205.08586	4.3
207.06544	1.1
207.10158	1.1
209.08072	2.1
217.08586	2.0
219.08208	1.1
219.10196	2.3
219.17456	0.8
221.08035	1.2
231.08374	0.7
233.05914	1.1
233.08061	8.8
235.07535	1.1
235.09639	5.4
245.08235	0.8
247.07680	0.9
255.06573	0.6
256.16681	1.0
263.06805	1.0
263.09280	3.1
271.09912	0.6
277.08765	0.7
285.16534	0.7
292.07181	0.7
293.07904	1.0
297.11057	0.8
305.19064	0.7
323.09207	0.8
325.10471	0.8
329.10239	1.4
335.08997	0.8
337.10495	0.7
339.12323	1.8
357.13239	2.2
367.11606	1.1
373.17911	1.2
381.13315	1.3
385.12964	2.8
387.14346	10.6
388.14893	0.8
399.14331	2.2
399.19220	0.8
417.15469	29.4
417.20520	1.9
418.15784	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	417.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	19.4
55.05507	17.4
64.19752	7.7
65.03927	8.7
67.05502	17.5
69.03442	14.2
71.01356	11.0
77.03928	11.1
79.05493	31.9
81.03444	17.6
81.07066	22.4
83.01338	9.1
83.04987	21.9
85.02901	15.4
85.06561	12.7
91.05483	54.1
94.45383	7.2
95.04970	42.0
103.05463	11.0
105.03410	12.5
105.04554	9.4
105.07046	25.8
107.04950	33.6
107.08600	16.1
109.06545	12.7
115.05432	19.2
116.80659	8.7
117.07021	32.5
119.08553	17.8
120.08089	12.4
121.06508	13.7
121.10150	14.6
123.04431	20.9
123.11716	12.4
125.09621	9.9
128.06218	27.8
129.06992	38.0
131.04932	18.8
131.08557	18.3
133.02827	12.2
133.06508	23.8
135.04391	12.4
137.05943	8.9
139.03865	19.6
141.06969	14.4
143.08586	15.0
145.06483	11.9
147.04434	14.8
147.08069	19.4
149.02405	12.8
151.03902	29.0
153.06989	23.7
154.07567	11.4
155.08498	19.0
157.06482	17.5
159.04449	14.2
161.06012	8.4
163.03929	10.8
165.05495	100.0
165.07024	33.9
166.07790	19.0
167.07050	68.5
167.08513	22.1
169.06430	11.7
171.08115	10.2
173.05914	10.5
178.07791	12.7
179.08665	18.4
181.04935	24.2
181.06509	33.1
181.10126	23.1
183.08105	20.8
185.05991	28.7
185.09615	10.7
187.07695	8.5
189.05460	23.2
190.07802	24.4
191.08618	13.9
193.10127	14.0
195.08090	10.4
197.05977	9.4
197.09550	11.7
199.07619	12.5
201.05444	12.2
202.07748	9.0
203.03479	8.1
203.07005	26.2
203.08682	17.2
205.10135	26.4
207.08109	14.1
209.06003	19.6
209.09628	24.8
211.07625	32.6
213.05463	21.7
215.08678	15.1
217.04974	14.6
219.02876	13.8
219.08022	17.3
223.11285	22.9
225.09192	10.7
227.07034	34.9
227.10704	12.2
229.25560	8.9
233.09589	30.5
234.10271	9.8
235.07590	12.3
235.09738	23.9
237.05457	14.2
237.09129	33.1
237.18463	20.6
239.07034	8.3
251.06956	10.1
251.10764	22.6
253.08659	14.4
255.06506	38.3
255.10332	18.1
261.09131	29.6
265.04877	9.5
265.08600	38.3
269.11636	10.0
279.07114	10.4
279.10107	38.7
281.08072	14.3
283.06296	14.0
283.09680	36.4
287.09091	30.9
289.08447	25.1
297.07846	14.0
297.11148	31.0
307.09637	46.0
313.10553	9.5
315.08636	45.7
315.12308	72.1
325.10742	27.1
335.09167	28.4
339.12268	12.6
353.10193	34.9
357.13351	12.7
367.11768	74.2
385.12836	29.7
399.14325	22.8
417.19913	49.4
422.63727	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	417.1545
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03927	0.6
55.01854	1.2
58.06585	2.0
59.33939	0.6
65.03939	3.9
67.05490	1.8
68.64436	0.4
69.03429	0.5
69.07067	0.5
69.68886	1.1
69.69276	1.1
70.31224	0.5
77.03894	0.5
78.04718	2.5
79.05490	3.4
79.05867	0.5
81.07038	1.4
82.04189	0.7
84.32719	0.4
85.02905	2.2
90.60461	0.5
91.05455	2.0
93.03397	1.1
93.07020	0.6
95.04955	2.2
97.06502	1.0
103.05453	5.9
105.03390	0.5
105.04522	1.0
105.07005	1.5
106.04140	2.2
107.04942	7.2
107.08566	0.7
108.02064	0.7
109.06494	0.5
110.03632	1.5
111.04434	0.9
115.05457	4.3
115.08707	1.2
117.07014	5.7
118.04160	1.4
119.04883	0.9
120.05727	0.6
122.03562	0.5
123.04433	7.2
124.05235	2.7
125.05959	1.4
127.05486	0.8
130.04080	0.5
131.04919	5.0
131.08624	0.6
133.02870	0.6
133.06453	0.9
134.03630	1.0
137.06015	0.9
138.03152	1.1
139.07568	0.7
142.02596	0.6
143.08142	2.2
144.05540	0.6
145.06491	8.5
148.05193	3.2
151.03891	1.5
151.07547	0.5
152.04663	2.0
153.05455	3.3
155.06026	4.1
155.81664	0.5
159.04453	0.5
159.08003	0.6
161.05951	0.7
163.07518	5.8
167.07034	100.0
168.07353	2.5
171.06529	2.5
173.05992	13.5
175.07553	0.7
179.07137	0.7
181.04951	46.7
182.05344	1.2
187.07608	0.8
191.07018	22.4
192.07384	1.1
195.06499	1.3
201.05511	0.9
205.08653	2.5
207.06490	0.7
209.08116	0.5
217.08495	1.0
219.10172	1.6
220.36641	0.5
221.07880	0.6
233.08067	7.2
235.09659	4.1
241.08514	0.6
259.61340	0.6
263.09192	1.8
288.13434	1.0
329.10181	1.5
335.09082	0.6
371.14398	0.5
381.13235	1.1
385.12656	1.3
386.13364	0.7
387.14368	13.2
388.14441	1.2
399.14276	1.6
407.37231	0.5
417.15405	33.8
417.29208	1.3
418.15826	3.2
418.21194	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1545
Annotation	Comazaphilone E
Peak:m/z	Relative Intensity
51.02366	0.9
55.01857	1.3
65.03944	4.9
67.05479	2.3
69.03427	0.7
71.04969	0.6
75.04439	0.5
77.03907	1.0
78.04688	2.3
79.05125	0.5
79.05492	6.9
81.03394	1.2
81.07039	1.4
82.04167	1.5
85.02899	3.3
85.06530	0.6
91.05492	3.0
93.03386	1.8
93.07019	0.9
95.04971	3.4
95.08608	0.9
97.06528	1.3
103.05469	7.7
105.03400	1.1
105.04456	0.9
105.07014	2.4
106.04179	1.3
107.04951	13.1
108.02078	1.6
110.03650	2.3
111.04433	1.3
115.05445	3.5
117.07027	4.3
118.04133	2.1
119.04913	0.7
120.05667	0.6
121.06489	0.5
121.10196	0.6
123.04426	6.4
124.05215	3.7
125.05986	1.7
129.07043	0.6
130.04111	1.1
131.04922	7.5
131.08524	0.7
132.05679	0.7
133.02811	0.9
133.06461	1.6
133.10097	1.6
134.03600	0.9
135.08035	0.9
137.05917	0.9
138.03076	1.9
142.02618	0.8
143.04942	0.8
145.06494	6.5
146.03586	0.9
147.07913	0.6
147.11766	0.5
148.05209	5.5
149.05983	0.9
151.03877	1.0
152.04704	2.9
153.01822	1.7
153.05472	4.2
155.06024	3.5
157.06488	1.0
161.06013	1.3
163.07533	8.0
167.07030	100.0
168.07365	2.9
171.06488	4.3
173.05983	14.0
174.06500	0.6
175.07509	0.8
176.04689	1.4
179.07002	0.6
181.04944	83.9
182.05305	2.2
187.07529	1.2
189.05528	0.7
189.07419	0.5
191.07016	29.0
192.07352	1.0
193.05011	0.7
193.08580	0.9
195.06535	3.0
203.06981	0.7
205.08615	3.4
207.06490	1.1
209.08084	1.1
215.32402	0.5
217.08629	1.9
219.10220	1.6
219.17424	1.0
221.08067	0.8
233.08073	7.3
235.09581	3.8
237.18430	0.9
247.07353	0.7
263.09232	2.2
271.06006	9.4
293.07892	0.6
297.11371	1.0
306.08972	0.6
307.09598	1.1
325.10562	0.7
329.10107	0.8
337.10703	0.7
339.12177	1.2
357.13489	1.0
367.11700	0.8
371.15054	1.2
381.13199	3.1
385.12894	1.1
387.14359	12.2
388.14658	1.1
399.14307	4.4
417.15469	30.3
417.20691	2.0
418.15857	2.3
431.48959	0.6
436.37769	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1545
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
55.01864	1.7
55.05513	0.8
63.66428	0.5
65.03938	4.7
67.05504	2.4
69.03428	0.6
69.07069	0.8
69.19676	0.6
69.29254	3.5
77.03941	0.7
78.04701	2.2
79.05492	7.0
81.03416	0.9
81.07046	2.7
82.04192	2.3
85.02914	3.9
91.05471	3.5
93.03381	1.8
93.07031	2.4
95.04958	3.4
95.08572	1.4
97.06516	1.0
103.04827	1.1
103.05460	8.5
105.04484	1.2
105.07012	3.1
106.04166	1.9
107.04958	11.7
107.08573	1.2
108.02097	1.4
109.06525	0.9
109.10136	1.3
110.03651	2.1
111.04444	1.4
115.05460	4.7
117.07037	5.3
118.04156	2.5
119.04925	1.1
119.08579	1.3
121.10146	1.2
122.03650	1.1
123.04419	6.7
124.05192	3.5
125.05974	2.4
125.09624	1.3
127.03723	1.0
127.05347	0.8
127.50220	0.6
130.04135	1.0
131.04922	8.8
131.08534	0.6
132.05754	0.7
133.02826	0.9
133.06456	1.9
133.10120	2.4
134.03606	0.8
135.04420	0.9
135.08061	0.8
135.11661	0.9
137.05989	1.0
138.03123	1.4
143.10669	0.7
144.05672	1.0
145.06479	7.2
145.10147	1.0
146.03708	0.6
147.04330	0.7
147.08055	1.2
147.11760	0.9
148.05185	6.0
149.05978	1.4
151.03941	1.2
152.04662	3.3
153.01837	1.3
153.05423	3.5
155.06020	3.5
159.11671	1.5
161.05971	1.9
163.07552	9.0
165.05482	0.8
166.02623	0.7
167.07031	100.0
168.07330	2.6
171.06506	3.2
173.05984	14.5
175.07486	1.3
176.04726	1.2
177.05492	0.7
181.04950	77.3
182.05287	2.3
191.07033	29.6
193.04962	1.0
193.08580	1.0
195.06506	2.8
201.05363	1.5
203.06995	1.2
203.17952	0.8
205.08604	3.4
207.06479	0.9
207.10202	1.1
209.08121	0.8
209.63568	0.6
209.65575	0.6
219.10141	1.5
221.08136	0.6
225.07494	0.7
233.08128	5.8
235.09546	3.4
263.09122	1.7
271.06070	0.9
279.10339	0.7
313.16156	4.6
323.09192	0.9
325.10806	1.0
357.13321	1.3
367.11804	1.5
381.13373	1.5
385.12866	2.4
387.14343	10.1
388.14499	0.9
396.70908	0.6
399.14279	2.9
417.15311	27.5
417.20883	20.8
418.15637	2.0
418.21030	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
54.53001	0.2
55.01865	0.3
55.05518	0.6
57.03428	0.8
67.05487	0.4
69.03435	1.6
69.07066	0.4
71.04987	1.4
71.45385	0.2
72.08155	0.4
73.02891	0.6
73.06538	0.3
78.04718	0.4
79.05487	1.0
81.03432	0.3
81.07065	1.6
85.02913	2.2
85.06493	0.3
86.09705	1.3
87.04469	1.1
88.25098	0.2
91.05470	0.9
93.07059	1.5
95.04958	0.4
95.08592	1.3
97.02891	1.7
97.06493	0.3
105.07027	2.0
106.04207	0.2
107.04946	0.6
107.08626	1.1
109.10146	0.6
115.03911	1.4
117.06979	0.6
119.05016	0.3
119.08568	0.9
121.10136	0.9
122.89341	0.3
123.04427	0.8
125.09617	1.2
127.03906	0.7
127.11273	0.3
131.04887	0.3
131.08533	0.4
133.04971	1.7
133.10124	3.7
143.10704	1.3
145.04979	0.6
145.06468	1.0
145.10132	0.8
147.11690	1.0
149.02362	0.7
149.13283	0.7
151.03897	0.3
155.06044	0.3
159.11707	0.5
161.13257	0.3
163.03944	0.3
165.05478	0.4
167.07034	5.9
167.14330	1.4
173.05986	1.2
177.12901	0.3
178.66711	0.2
181.04964	1.7
197.73232	0.3
201.16336	0.6
205.08585	0.3
217.15329	0.3
219.13884	0.3
219.17451	1.9
233.08092	0.8
237.18492	0.3
275.07278	0.3
285.13016	1.6
387.14362	0.8
417.17252	100.0
418.17627	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	417.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
65.14513	0.4
69.03418	1.6
70.06586	0.6
70.40782	0.7
72.08160	0.9
82.30001	0.3
85.02909	3.5
86.09695	0.8
93.00397	0.3
95.04954	1.1
97.02884	1.2
98.97558	0.4
99.04420	0.4
105.07046	0.5
106.06570	0.4
107.04969	0.7
109.02856	0.8
110.07166	0.8
115.03886	0.5
119.08646	0.4
121.10156	0.5
123.08009	0.7
127.03922	0.7
131.04962	0.4
133.10149	0.5
135.07994	0.4
135.11710	0.5
136.88647	0.3
145.04956	1.0
145.10120	0.5
148.12764	0.3
149.06006	0.4
151.07520	1.4
153.67953	0.3
161.09650	0.5
163.03914	0.8
163.11174	1.8
165.05519	0.4
177.12750	0.6
191.14183	0.5
196.09813	0.4
219.13841	1.5
237.14873	3.5
239.32007	0.4
255.15874	2.8
378.09775	0.3
400.36737	0.4
417.17233	100.0
418.17599	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	417.1733
Annotation	2-Phenylethyl O-alpha-arabinopyranosyl-(1->6)-beta-glucopyranoside
Peak:m/z	Relative Intensity
65.14513	0.4
69.03418	1.6
70.06586	0.6
70.40782	0.7
72.08160	0.9
82.30001	0.3
85.02909	3.5
86.09695	0.8
93.00397	0.3
95.04954	1.1
97.02884	1.2
98.97558	0.4
99.04420	0.4
105.07046	0.5
106.06570	0.4
107.04969	0.7
109.02856	0.8
110.07166	0.8
115.03886	0.5
119.08646	0.4
121.10156	0.5
123.08009	0.7
127.03922	0.7
131.04962	0.4
133.10149	0.5
135.07994	0.4
135.11710	0.5
136.88647	0.3
145.04956	1.0
145.10120	0.5
148.12764	0.3
149.06006	0.4
151.07520	1.4
153.67953	0.3
161.09650	0.5
163.03914	0.8
163.11174	1.8
165.05519	0.4
177.12750	0.6
191.14183	0.5
196.09813	0.4
219.13841	1.5
237.14873	3.5
239.32007	0.4
255.15874	2.8
378.09775	0.3
400.36737	0.4
417.17233	100.0
418.17599	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	417.1734
Annotation	2-Phenylethyl O-alpha-arabinopyranosyl-(1->6)-beta-glucopyranoside
Peak:m/z	Relative Intensity
54.21838	0.3
57.03448	0.4
69.03428	0.6
69.50941	0.8
69.51326	0.8
70.06618	0.5
84.35291	0.3
85.02911	1.4
87.04472	0.4
97.02926	0.5
98.23489	0.5
108.30414	0.3
115.03957	0.6
133.05011	0.6
147.97665	0.3
222.03464	0.4
237.40648	0.4
255.12184	0.8
417.17346	100.0
418.17612	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	417.1926
Annotation	Epigomisin O
Peak:m/z	Relative Intensity
55.05519	1.7
56.05041	1.1
56.96555	1.8
57.07065	1.4
58.06593	1.7
67.05501	2.7
68.61944	0.9
69.07069	3.4
69.38332	1.6
69.38734	3.8
70.06577	1.0
74.06046	1.0
79.05489	2.4
81.03438	0.9
81.07055	2.8
83.04980	1.2
83.08630	1.2
86.86748	0.9
88.07645	4.8
91.05492	2.3
93.07058	3.2
95.08616	3.1
95.31596	0.8
96.79990	0.8
97.10158	0.9
98.23380	1.9
98.98461	1.4
105.07044	2.3
107.08611	1.7
109.06548	2.8
109.10149	1.9
119.08586	4.1
121.10160	1.6
131.08583	1.4
132.10233	1.7
133.10255	1.4
135.08119	1.2
145.10162	2.4
153.18591	1.0
155.01106	1.1
157.10130	2.4
181.10191	1.0
183.11649	1.1
195.11635	1.6
207.11736	2.2
209.13181	1.0
255.17375	1.9
304.40619	1.0
317.17987	3.8
324.32596	1.9
335.18945	15.6
344.13474	1.2
353.20059	4.1
357.17661	1.1
358.20609	2.3
375.18192	11.4
399.18185	100.0
400.18475	5.3
416.37289	11.2
417.19504	26.9
417.27832	3.9
417.37357	5.1
418.19247	1.1
418.38815	2.0
440.20737	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	417.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72562	1.0
60.04539	1.0
67.05527	1.2
69.07056	1.3
69.30021	5.7
79.05472	2.5
79.23781	1.0
81.07043	2.5
89.98480	1.3
91.05470	1.3
93.07042	2.8
95.08578	1.6
105.07016	1.6
107.08572	1.9
116.46917	1.0
119.08609	2.9
120.08876	1.6
141.01572	26.3
169.04720	2.7
279.14728	1.1
289.16345	1.5
299.19803	73.8
300.20166	4.2
301.21393	3.0
317.19489	1.7
357.24792	1.2
399.17029	3.3
417.22372	100.0
418.22684	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	417.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
62.42360	0.5
64.48834	0.6
65.17128	0.5
67.05507	0.6
67.17645	0.5
67.67854	0.4
69.55894	1.2
74.60334	0.5
85.98262	0.5
95.08617	1.4
98.22739	0.8
109.10176	0.6
119.08603	0.6
121.04190	0.5
123.06293	0.5
142.78560	0.5
173.69469	0.6
175.12973	0.6
179.56218	0.5
194.09802	0.5
287.12589	0.8
327.12430	0.9
399.21356	3.0
417.22443	100.0
418.22794	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	417.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	8.7
59.04977	3.7
67.05498	11.7
67.91414	3.0
69.07063	8.7
70.33920	7.7
71.04992	36.2
79.05483	20.4
81.06680	3.4
81.07063	32.5
83.04963	3.4
83.08611	6.5
85.02874	7.0
85.06535	7.8
91.05485	19.4
93.07034	20.4
93.22859	3.0
95.04953	7.8
95.08604	26.1
97.06522	5.3
97.10173	3.5
99.08073	10.4
105.07039	49.4
107.04958	4.5
107.08598	27.8
109.06557	3.8
109.10139	17.2
117.07014	7.2
119.08591	17.9
121.10149	13.5
123.11703	6.9
125.09632	35.9
127.11208	6.2
131.08551	10.5
133.10123	100.0
134.10451	4.2
135.11732	3.7
139.11195	4.4
143.10657	28.7
145.06444	5.5
145.10086	11.1
147.11678	12.4
149.13301	16.8
151.11111	9.4
159.11699	8.2
161.13190	4.3
165.05481	5.6
167.07034	45.6
167.14308	56.6
169.11992	3.5
173.06004	6.6
181.04950	32.0
182.05231	4.6
185.41846	3.5
191.07008	15.7
201.16388	12.6
219.17435	49.2
233.08318	3.9
237.18408	5.2
255.06480	6.0
299.69858	3.4
387.14270	5.0
417.15283	15.7
417.21005	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	417.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.4
55.05503	10.8
57.03450	1.8
57.07080	2.2
59.05007	2.2
65.03923	2.2
65.59127	1.5
67.05503	11.4
69.03432	5.6
69.07075	8.5
69.26188	5.3
71.04594	1.5
71.04992	35.0
73.06544	3.7
79.05488	21.4
81.07053	42.6
83.04977	2.0
83.08627	6.7
85.02901	6.4
85.06564	3.2
85.43335	1.6
90.24419	1.5
91.05475	23.9
93.07047	27.1
95.04984	5.3
95.08599	27.1
97.02849	2.4
97.06537	6.3
97.10158	4.0
99.08092	9.7
103.05481	2.4
105.07027	56.9
107.04961	4.5
107.08595	27.8
107.09269	2.9
109.02893	2.2
109.06499	2.3
109.10159	16.5
111.08111	2.0
115.05450	2.5
117.07063	7.1
118.06607	1.6
119.08580	14.4
121.06519	2.2
121.10136	14.9
123.04429	3.5
123.11720	6.8
125.09631	31.4
126.10005	1.6
127.07541	5.3
127.11211	5.7
131.04936	2.8
131.08548	13.4
133.10126	100.0
134.10464	3.6
135.08028	1.7
135.11697	2.5
139.11192	3.5
143.10674	37.6
145.06511	3.1
145.10107	16.0
147.11688	16.8
148.05205	1.8
149.13245	24.6
151.11189	6.3
157.10143	1.5
159.11703	11.2
161.13245	5.7
162.77281	1.7
163.07529	1.5
165.05481	2.9
167.07042	40.6
167.14316	55.9
169.12222	2.3
173.05959	8.7
173.13278	1.9
178.74364	1.6
181.04932	20.8
191.06927	9.1
198.66663	1.6
201.16385	12.4
205.08578	1.6
219.17430	49.0
233.08058	3.5
237.18558	9.8
255.06511	19.5
256.20706	1.6
279.10309	1.4
279.17838	2.0
367.11710	1.6
387.14468	4.8
417.15332	13.6
417.20978	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	417.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68087	1.5
55.05507	1.7
57.07101	1.7
67.05505	1.7
68.50433	1.5
71.45632	1.6
93.25283	1.5
95.08592	2.0
107.08587	1.7
119.08591	3.1
142.03453	1.5
203.87408	1.6
209.24382	1.6
221.70255	1.5
281.93265	1.5
284.40271	1.4
289.21707	1.5
327.07303	1.6
335.21552	1.6
348.78970	1.5
373.14630	3.0
374.14871	2.2
387.16000	4.0
388.16760	2.3
389.17444	5.2
401.13730	2.5
402.14450	5.6
402.19144	2.0
416.15540	2.4
417.16425	45.1
417.20883	12.5
417.29666	100.0
418.16895	9.1
418.22104	2.3
418.30154	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	417.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	24.9
57.07072	29.0
67.05498	65.1
69.03446	9.6
69.07061	32.3
70.82208	9.9
71.08621	13.1
75.95705	7.2
76.28970	7.3
79.05499	62.7
81.07052	100.0
83.04948	9.6
83.08623	27.1
85.10171	11.0
91.05481	18.6
93.07014	52.2
95.08606	88.9
97.06522	7.5
97.10149	22.0
105.07028	17.3
107.08616	41.1
109.06552	9.2
109.10158	35.2
111.04401	8.8
111.11701	12.4
117.07023	7.7
119.08585	22.3
120.08842	8.5
121.10149	74.7
123.11720	13.0
124.37890	7.3
125.05985	14.6
131.08603	7.3
133.10162	7.8
135.11682	55.0
143.07036	12.3
149.13245	17.9
159.11824	7.7
197.78041	8.3
212.15884	7.8
236.62093	7.9
254.81812	8.0
303.30475	50.6
321.31555	32.5
345.31549	15.2
363.32370	24.6
381.33597	23.8
382.34311	8.5
417.20895	32.5
417.26102	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1706
Annotation	 (1S,4R)-passicapsin
Peak:m/z	Relative Intensity
53.03938	1.8
57.03432	2.8
57.78819	0.7
58.06594	2.1
61.02923	5.3
67.05494	1.4
68.05045	1.3
69.03429	14.1
69.24134	5.1
70.06583	0.9
71.01350	1.4
72.08147	1.5
73.02908	4.3
79.05503	2.9
81.03400	3.0
82.06574	1.9
83.01326	1.0
83.04970	1.4
84.92348	0.8
85.02903	12.9
87.04470	4.3
91.03927	1.4
91.05474	2.4
93.03387	2.4
93.05846	0.9
93.07050	1.8
94.06577	1.4
95.04966	1.7
96.08125	4.1
97.02897	8.4
98.97583	2.2
99.04453	1.7
100.07602	1.4
107.04949	4.1
107.07339	1.5
108.08112	9.7
109.02892	3.0
109.08916	1.1
110.06004	1.8
110.08057	0.8
111.04436	1.9
115.03941	1.6
119.04900	2.0
120.08083	4.3
121.02865	2.5
121.06500	1.5
122.06024	2.0
122.09660	1.2
123.06825	0.8
124.07583	13.0
127.03896	4.0
131.07317	0.8
132.08092	2.5
133.05214	0.9
135.04434	1.9
136.03969	1.5
136.07581	10.2
137.06085	0.9
138.05501	9.6
138.09157	1.0
139.03902	1.5
143.00230	1.1
145.02892	2.3
147.04431	2.0
148.07549	12.7
149.02373	2.0
149.06000	1.1
150.09135	9.1
153.05438	5.0
154.04985	3.4
154.08649	2.6
159.04448	1.0
160.07613	1.2
165.05533	2.1
166.08603	1.6
167.03452	1.1
176.07059	16.3
177.05513	3.4
177.09126	3.6
178.08675	6.7
180.10207	1.5
181.04939	7.5
188.07054	1.6
190.08649	2.7
194.08200	2.6
206.08141	10.5
208.09683	7.5
210.11246	9.9
222.11244	1.0
224.09076	5.2
226.10625	2.2
238.10728	42.0
239.11090	2.2
250.45555	1.1
256.11804	29.2
257.12180	1.5
335.39990	1.0
357.22269	1.0
395.07391	0.8
400.15942	9.3
418.17062	100.0
419.12643	10.1
419.18170	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	418.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
57.03419	0.5
62.69382	0.4
69.03445	2.0
69.21752	2.3
70.06578	0.6
73.02931	0.7
79.05458	0.9
81.03411	3.1
81.07052	0.5
85.02888	1.6
89.03909	3.3
91.05473	1.8
95.04932	0.8
97.02898	1.3
98.96320	0.4
99.04451	0.5
99.27025	0.4
102.37332	0.4
107.04963	1.5
109.02860	1.7
110.06026	0.9
117.03383	5.7
124.07567	0.6
135.04416	11.7
145.02843	9.7
147.04402	1.9
149.02295	0.7
163.03896	100.0
164.04231	1.8
166.82355	0.4
181.04951	5.2
190.44449	0.4
191.64462	0.4
203.07004	0.5
239.09164	1.1
307.08200	3.6
316.43234	0.5
325.09113	6.5
408.21292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.28
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	8.4
55.05504	25.8
57.03432	19.0
59.78955	6.5
67.05502	90.4
69.07071	100.0
69.70831	16.2
69.71221	13.5
78.25108	7.7
79.05487	55.1
81.07053	68.2
83.04973	12.2
83.08598	20.7
91.05475	51.5
93.07040	48.6
95.04964	13.6
95.08103	6.9
95.08618	44.4
97.06526	18.3
97.10159	12.0
102.34931	7.1
105.07023	28.3
107.04939	16.2
107.08582	36.0
109.10145	56.1
117.07011	12.0
119.08600	35.6
121.10167	17.5
125.09624	17.1
131.08536	15.1
133.10120	24.4
135.08096	8.5
137.09621	11.9
145.10094	14.0
147.11676	13.4
149.09628	15.5
159.11732	10.3
160.66830	7.6
161.13222	9.5
163.11211	11.2
171.10188	16.2
173.11798	15.6
173.13191	12.4
177.12735	9.0
190.42839	7.7
212.65865	7.6
229.14331	39.4
239.18040	8.7
253.18013	9.0
257.19080	9.1
275.20090	59.0
288.22424	18.9
293.80698	7.1
326.99368	6.9
333.20337	14.8
349.23785	91.6
350.24033	12.0
355.18320	10.4
358.63153	7.5
383.24371	8.7
418.22113	27.9
418.28113	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	418.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.0
55.01865	11.1
55.05511	23.8
57.03426	23.8
65.03905	8.3
67.05507	85.7
69.03415	7.6
69.07068	94.4
71.04994	35.5
73.02915	9.5
79.05484	74.1
80.05841	6.5
81.03405	12.3
81.07053	78.6
83.04978	30.2
83.08607	8.6
85.02899	7.4
90.05546	12.8
91.05475	61.4
93.07047	63.5
95.04945	30.3
95.08590	38.3
97.06526	88.5
97.10149	8.3
100.11237	7.2
103.05453	7.8
105.07028	46.0
107.04955	19.3
107.08593	44.9
109.06527	16.3
109.10154	22.7
111.93527	5.3
115.05434	8.5
115.07573	71.6
115.31007	5.4
117.07024	34.4
118.07329	6.4
119.08566	32.5
121.06490	10.1
121.10149	13.9
123.08096	8.9
125.09572	8.4
127.07595	8.2
129.06998	15.1
131.08534	29.0
132.05324	7.6
133.10117	45.2
135.08102	12.1
135.11673	17.4
137.09634	8.5
137.25165	5.4
143.08614	9.1
145.06487	9.7
145.10126	20.1
147.08025	7.4
149.09648	12.2
149.13243	14.2
151.11206	12.3
157.10165	10.2
159.11690	18.9
161.09592	11.6
161.13306	7.0
163.11250	6.9
167.07040	100.0
168.07365	74.8
173.05936	11.8
174.06305	12.0
175.11172	7.3
177.12779	15.0
181.04976	48.1
182.05313	30.0
191.07036	17.1
192.07442	7.7
217.15884	8.6
245.18947	10.3
269.17493	29.8
273.18387	32.2
291.19431	13.9
297.17050	10.8
347.22406	7.3
365.23300	23.2
388.14676	20.9
418.15610	51.5
418.21558	17.4
418.30222	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	418.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	3.6
53.03938	4.4
55.01877	9.8
55.05515	24.4
55.58515	4.1
57.03442	24.6
57.07069	4.7
65.03921	5.0
67.05504	50.4
69.03420	7.3
69.07069	84.8
71.04993	44.9
71.67969	3.7
73.02909	12.6
79.05479	51.2
80.05807	4.3
81.03412	16.9
81.07056	56.5
81.86597	3.6
83.04964	15.6
83.08623	19.3
85.06522	4.7
91.05470	46.3
93.07047	55.7
95.04980	25.3
95.08598	32.4
97.06533	80.2
97.10168	6.8
99.08083	6.9
100.11223	4.6
103.03967	5.0
105.07022	26.6
107.04969	18.6
107.08590	33.2
109.06519	18.9
109.10142	12.6
111.08125	5.6
113.05979	8.0
115.07571	73.7
117.06989	21.5
118.07345	6.2
119.08569	20.9
121.06460	4.3
121.09370	5.5
121.10152	17.2
123.08057	11.0
123.11716	7.0
125.06039	4.1
125.09589	5.7
129.07001	7.1
131.08553	16.5
133.06496	5.5
133.10083	20.4
135.08029	7.6
135.11676	11.2
137.75598	4.1
143.08621	5.3
145.06537	6.6
145.10158	6.9
147.08055	5.4
147.11711	11.3
149.09608	6.8
149.13248	9.6
157.10110	6.1
159.11703	17.6
161.09653	7.2
167.07031	49.9
168.07402	30.7
170.45493	4.0
171.11673	5.0
173.05922	9.2
173.13300	5.2
174.06337	6.1
177.12743	10.8
181.04918	20.6
182.05319	8.5
191.07068	7.6
192.07455	5.8
195.13792	6.2
197.13229	5.2
205.08749	4.6
217.15800	6.2
218.11603	3.9
233.15247	6.3
245.19043	4.4
268.09592	6.6
269.17496	29.6
270.17563	4.3
273.18451	20.7
279.77481	4.3
291.19574	12.7
297.16849	19.1
358.12811	10.6
365.23227	15.1
383.24350	7.6
388.14761	6.9
417.51239	4.5
418.15665	30.5
418.21680	9.0
418.30426	100.0
419.30069	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21167	2.7
55.05515	8.2
57.07075	3.7
62.19738	2.5
65.03947	3.9
67.05494	16.6
69.03422	7.8
69.07062	6.7
69.30825	14.6
71.04980	5.5
79.05484	22.8
80.02424	2.5
81.07062	31.2
83.04975	7.0
83.08639	3.2
90.45095	3.0
91.05482	41.7
92.84781	2.8
93.07036	45.7
94.74050	3.0
95.04973	15.9
95.08600	20.0
97.06554	3.6
100.77934	2.7
103.05473	5.7
105.04511	2.9
105.07029	100.0
107.08598	34.4
108.09393	3.2
109.06516	86.2
109.10150	18.3
109.25607	2.7
111.08083	14.5
115.05435	3.6
117.07002	17.0
119.08573	64.6
119.09422	4.3
121.06490	9.2
121.10136	31.9
122.07301	5.4
123.08069	14.4
128.06244	8.8
129.07019	15.7
130.07826	4.4
131.08580	37.4
132.09341	3.5
133.10127	39.7
135.08054	13.2
135.11685	12.8
137.09622	26.7
141.07028	4.4
142.07806	16.7
143.08569	36.1
144.09335	9.1
145.10120	66.2
147.08061	13.0
147.11662	27.7
149.09615	7.2
151.11188	5.2
154.07780	7.9
155.08562	11.0
156.09334	18.1
157.10130	56.6
158.10950	5.1
159.08131	6.2
159.11694	27.7
161.09659	7.9
161.13196	4.4
163.11172	4.5
165.06972	7.8
166.35860	2.8
167.08582	7.5
168.09291	7.9
169.10121	20.1
170.10910	11.2
171.11674	36.1
173.09637	4.7
173.13208	16.7
175.11234	7.1
175.14799	7.0
179.08559	8.8
180.09259	7.2
181.10121	12.5
182.10912	6.4
183.11673	29.4
184.12434	3.3
185.13277	12.7
187.11215	8.9
187.14844	10.5
189.12770	6.5
193.10197	8.5
194.10936	10.5
195.11687	24.3
196.12503	5.8
197.09634	4.8
197.13284	14.3
198.13921	4.3
199.11238	7.3
199.14825	8.8
201.12711	6.0
203.14389	4.9
205.10138	3.1
206.10881	7.1
207.11652	10.5
208.12524	6.3
209.13243	20.6
210.13866	5.9
211.14827	11.5
213.12746	6.9
213.16273	5.6
220.12494	4.0
221.13225	11.0
222.13959	4.5
223.14816	14.3
224.12106	2.8
225.12695	4.9
225.16325	3.4
227.14339	6.6
233.13365	4.4
234.13876	3.1
235.14835	8.9
237.16380	13.4
239.14325	3.6
247.14856	4.8
249.16379	3.6
252.14998	2.8
253.15919	5.5
261.16394	3.9
263.14203	3.1
265.15988	5.5
275.20255	3.9
277.19263	2.9
357.25916	7.4
362.22610	3.2
375.26672	6.0
418.17334	10.2
418.21680	12.3
418.28638	12.4
419.22302	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	418.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40808	5.6
54.38586	4.9
55.05510	13.3
56.79559	5.4
57.03440	8.9
67.05506	52.6
69.07068	11.2
70.14733	12.6
79.05490	17.9
81.06637	6.2
81.07028	29.7
83.04956	9.0
91.05486	14.1
93.07037	19.5
95.08599	22.0
98.23367	7.5
99.08105	7.8
105.07032	11.8
107.08599	15.4
109.06512	6.5
109.10167	25.8
117.06987	6.2
119.08546	5.8
121.10132	7.5
123.11671	5.7
133.10112	6.7
149.13272	14.2
159.11710	15.4
170.80388	5.7
173.11661	10.1
177.12785	7.4
179.14392	7.8
195.13783	12.0
201.62122	5.8
229.14363	33.0
229.35213	5.4
269.17499	100.0
333.20193	14.8
336.76395	6.2
351.25281	16.3
383.24039	10.9
418.22043	18.8
430.04517	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	419.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82185	0.4
56.96560	0.6
58.41216	0.3
65.03860	0.4
70.68191	0.5
94.18874	0.4
97.02950	0.4
97.31200	0.4
98.97588	0.8
147.55687	0.4
225.01407	0.4
227.05849	0.8
237.02791	0.4
245.06926	0.6
287.11026	0.9
303.59564	0.4
303.63666	0.4
333.07941	1.1
389.11020	0.7
395.72729	0.4
407.12228	0.4
419.15231	100.0
420.04114	0.4
420.15601	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	419.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00760	8.3
66.16282	8.1
66.63540	8.1
69.03422	11.5
69.98118	8.1
70.06599	10.6
73.02955	8.6
79.05511	33.7
81.03416	14.6
81.07027	11.3
85.02919	16.4
88.83430	9.5
91.05466	18.8
93.07043	10.6
95.04958	19.9
97.02860	10.0
103.05472	10.9
105.07034	36.2
107.04972	40.0
115.05464	22.6
117.07005	11.8
119.08591	9.9
123.04350	10.2
129.05489	10.0
131.04933	10.9
131.08598	14.6
133.06477	19.9
135.04430	24.5
144.05717	9.6
145.06401	19.9
149.05995	10.7
149.59544	9.0
153.05377	11.1
161.06009	31.0
163.03926	37.5
164.04271	13.6
165.05507	13.3
167.07065	79.8
169.08626	12.0
173.06006	34.7
177.05479	24.7
191.06970	16.2
193.08585	26.9
195.06512	13.2
205.08594	38.7
208.05157	16.5
209.07954	10.9
217.08556	15.1
247.09694	10.9
254.05539	10.7
257.17514	13.2
269.08072	23.7
293.07797	10.8
315.08539	58.7
327.12112	17.0
330.11023	100.0
331.11703	11.7
349.18033	9.0
383.14795	21.5
401.16376	19.8
419.18005	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	419.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33133	1.1
52.05605	1.1
55.01871	29.7
55.02139	1.7
55.05534	1.2
57.03449	1.3
59.63771	1.1
65.03928	8.3
67.05505	5.8
69.03428	2.7
69.07080	2.5
69.39984	5.2
79.05489	8.0
81.03389	1.4
81.07056	3.9
82.04199	3.4
85.02914	5.5
91.05463	6.3
93.03413	2.8
93.07034	4.0
95.04947	6.2
95.08604	3.3
97.06524	2.9
98.22578	1.2
103.04849	1.9
103.05466	23.2
105.07021	11.0
106.06524	1.3
107.04964	9.5
107.08596	2.3
108.02123	2.0
109.10117	1.8
110.03672	4.2
111.04417	2.1
115.05474	5.6
117.06993	3.2
118.04131	5.6
119.08589	3.0
121.06496	5.4
121.10126	1.5
123.00821	1.4
123.04437	6.0
125.06006	3.8
128.06190	1.3
129.07018	2.3
131.04927	19.1
131.08577	4.7
133.02838	2.1
133.06505	7.4
135.08099	2.3
138.03128	2.8
141.06990	1.7
142.02670	1.5
144.05693	3.0
145.06517	4.6
145.10158	1.6
147.11754	1.2
148.05188	11.1
149.05974	9.9
150.09140	5.5
151.09909	8.9
152.04680	1.4
153.05470	5.2
155.07036	1.6
159.04375	2.3
159.08064	4.6
161.05981	10.2
163.07541	17.3
167.07027	44.2
168.07426	2.5
169.07643	1.9
171.06519	8.5
173.05946	4.3
175.07501	2.0
176.04665	2.1
177.05472	34.5
181.04947	78.4
181.08484	3.2
182.05312	3.4
183.06703	2.3
187.07579	4.0
190.06223	1.4
191.07022	100.0
192.07413	2.9
193.08603	6.6
205.08611	7.5
208.13300	1.2
209.08086	54.1
210.08521	1.9
217.08549	1.6
219.10101	4.4
221.08109	3.2
228.74107	1.4
235.09752	1.6
247.09685	5.1
249.11218	6.8
263.06766	1.6
265.10721	5.7
307.09634	1.9
323.12750	1.5
330.11041	2.1
351.12418	1.4
369.13495	3.4
370.14502	1.3
383.14691	2.0
392.02142	1.2
401.15912	6.7
419.16922	7.5
419.21747	2.1
420.28030	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	419.1701
Annotation	Comazaphilone F
Peak:m/z	Relative Intensity
52.62806	0.7
53.03934	1.8
54.42069	0.8
55.01870	28.8
55.05507	1.7
57.03417	1.0
65.03938	8.2
65.23617	0.7
67.05508	5.5
69.03419	1.9
69.07053	3.1
71.08606	0.8
77.03928	1.3
79.05490	7.5
81.03394	1.4
81.07055	7.0
82.04189	2.6
83.04972	1.0
83.08620	2.0
85.02923	4.1
85.06536	1.1
90.04685	1.2
91.05482	6.6
93.03398	1.9
93.07047	4.1
95.04976	6.4
95.08604	6.9
97.02908	1.8
97.06515	2.6
99.08118	1.2
103.05460	22.4
105.03394	1.6
105.04519	1.2
105.07024	11.0
105.07666	1.4
106.04182	1.8
107.04967	8.2
107.08582	3.7
108.02093	1.3
109.06511	1.7
109.10148	3.3
110.03651	3.3
111.04419	1.9
111.08099	1.0
115.05418	4.9
116.06249	0.9
117.07009	2.9
118.04155	5.2
119.04937	2.2
119.08577	2.9
121.06479	5.1
121.10133	2.2
122.03616	1.2
123.04436	5.6
123.11704	2.3
124.05227	1.3
125.05998	3.8
128.06241	1.2
129.07002	2.1
129.76552	0.8
131.04918	20.3
131.08572	2.8
132.05705	1.7
133.02827	1.9
133.06491	9.7
133.10168	1.5
135.04433	1.3
135.08092	1.4
135.11710	1.4
137.05994	1.9
138.03149	2.1
140.04669	1.8
141.07002	2.2
142.02577	1.9
143.08536	0.8
144.05730	2.5
145.06494	2.2
145.10123	1.6
146.03600	1.5
147.04430	1.0
147.08006	1.5
147.11665	1.2
148.05180	13.5
149.05969	11.3
149.09679	0.9
149.13249	2.4
150.09142	2.7
151.09917	2.0
153.05457	4.8
155.07024	1.9
156.05721	1.0
157.06583	1.2
159.08047	3.2
159.11707	1.5
161.05980	9.4
161.13239	1.6
163.07544	21.6
167.07030	37.4
167.08455	1.9
168.07404	2.0
171.06552	5.8
172.05171	0.9
173.06006	4.0
175.07494	2.4
176.04642	2.4
177.05457	27.3
181.04942	78.5
181.08464	2.5
182.05301	2.9
183.06552	3.5
187.07501	5.4
190.06252	0.9
191.07021	100.0
192.07451	2.9
193.08580	7.3
205.08482	5.8
209.08076	53.7
210.08472	2.2
217.08446	1.9
219.08144	1.8
219.10004	4.0
221.08078	2.2
235.09557	1.5
247.07455	1.3
247.09645	5.0
249.11229	5.1
255.06503	1.5
257.07217	1.8
263.07083	0.9
264.07852	1.0
265.10730	4.5
279.10104	1.2
294.60135	0.8
307.09558	1.5
311.12903	0.8
327.12595	1.2
330.10791	1.1
369.13266	2.8
383.14850	2.1
387.14331	1.1
389.15952	1.1
401.16098	4.9
401.30927	1.4
419.17081	9.1
419.31644	3.9
420.27493	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	419.2645
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
51.03971	1.9
53.03947	4.0
54.04380	2.0
55.05509	8.4
59.81528	2.1
67.05512	9.5
69.03425	4.1
69.07071	10.4
71.04993	20.1
79.05503	26.6
79.22979	1.9
81.03424	4.7
81.07058	98.7
82.07383	2.3
83.04991	2.5
83.08637	5.5
85.02905	12.4
85.06542	3.1
91.05477	13.8
93.07047	35.9
95.04988	4.9
95.08614	28.4
97.06576	2.0
97.10184	5.3
99.08101	7.0
105.07032	35.0
107.08598	59.1
109.02853	2.6
109.06509	3.8
109.10152	33.7
111.08083	2.6
111.75201	2.1
117.07072	2.6
119.08588	51.8
121.10133	12.8
123.11719	23.2
125.09639	4.6
127.03960	2.0
127.11211	18.2
131.08533	3.0
133.10136	37.0
135.11690	100.0
136.12003	3.4
137.13271	5.6
139.11191	2.8
143.10686	15.7
145.10150	3.1
147.11693	26.9
149.13268	7.1
151.11131	3.0
153.12772	4.8
159.11722	2.6
161.13248	15.6
163.14886	3.1
165.06844	2.0
167.07060	3.4
171.11580	2.3
175.14671	2.6
177.16385	2.1
193.12187	2.8
203.17961	52.3
211.13368	4.5
221.19048	36.6
228.38411	2.2
419.14877	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	419.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	8.9
55.05499	12.7
65.08157	6.0
69.07072	13.0
71.04974	13.1
72.60947	5.6
79.05487	23.6
81.03426	6.5
81.07057	85.4
83.01228	5.4
85.02897	10.3
91.05437	11.8
93.07027	32.1
95.08602	26.5
97.06508	6.3
99.08075	7.7
105.07014	25.1
107.08585	44.6
109.10152	18.1
111.11767	5.9
119.08534	31.9
121.06573	6.5
121.10104	6.1
123.11709	18.2
127.11134	9.5
131.04910	7.1
133.10109	30.6
135.11676	100.0
143.10641	12.3
147.11678	22.5
148.13974	5.9
150.09145	9.8
151.09894	19.0
152.17586	6.5
153.05449	6.4
161.13237	27.4
163.07617	9.5
167.06996	13.7
181.04990	32.1
182.05159	6.8
191.07036	28.7
203.17934	66.6
206.08173	9.7
209.08072	9.2
211.13333	10.0
221.18961	65.4
239.20114	11.5
419.21603	23.0
420.27744	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	419.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.7
53.50735	2.4
55.05497	8.6
56.64045	2.2
65.03953	2.8
67.05502	14.3
69.07053	3.8
69.66763	7.1
70.06596	3.1
71.04964	2.4
79.05494	8.4
81.07051	13.7
83.08631	4.7
91.05471	17.8
93.07040	13.1
95.04993	4.2
95.08631	9.4
105.07039	15.4
107.04935	3.1
107.08626	7.3
109.06484	3.4
109.10147	5.8
117.07037	10.0
119.08569	9.0
121.10154	4.1
125.09704	2.9
129.07008	10.5
131.08549	21.4
133.10164	5.9
143.08566	11.4
145.06453	2.9
145.10120	10.6
147.11700	3.0
155.08600	5.0
157.10144	5.2
159.11746	3.7
169.10123	3.6
171.11748	5.0
181.10114	4.2
183.11783	3.2
195.11729	3.1
209.13206	2.6
231.17705	2.9
273.18347	3.2
313.32806	3.1
318.18405	3.3
337.17548	4.3
355.26718	3.0
357.35556	4.9
365.24780	6.8
369.23975	84.5
370.24484	3.4
383.25793	18.2
401.18597	9.0
401.26755	55.5
402.27084	5.5
418.38864	7.2
419.27737	100.0
419.39264	14.9
420.28116	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	419.277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51926	0.8
55.95436	0.8
56.96559	1.1
57.07063	0.9
67.05497	1.4
69.07076	1.3
69.69490	3.4
75.90759	1.0
79.05489	0.9
81.07050	3.0
85.70348	1.0
91.05486	1.5
93.07040	1.6
95.08601	1.4
105.07015	2.2
107.08599	1.4
109.10149	2.0
119.08597	2.8
125.75687	0.9
131.08569	1.5
133.10112	1.1
143.08592	1.1
145.10124	1.5
242.40358	0.8
250.18950	1.0
275.20102	1.1
334.17789	1.3
341.24524	3.7
347.55817	0.9
359.25467	2.4
369.23981	71.4
370.24298	5.6
387.25027	56.0
388.25375	4.2
401.26624	9.9
402.26321	1.0
419.27667	100.0
419.39072	4.3
420.28052	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	419.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	0.8
55.86625	0.6
66.61456	0.7
69.60288	1.6
81.07044	1.3
91.05499	0.7
93.07069	1.3
101.56075	0.6
105.07034	1.1
107.08583	1.3
112.11274	0.8
119.08569	1.3
127.02061	0.7
130.12254	0.8
131.08553	1.0
133.10153	1.0
135.08018	0.8
251.06372	0.6
341.24625	1.6
347.11990	0.8
359.25662	2.0
369.24008	58.5
370.24335	4.7
372.87048	0.8
387.25076	35.3
388.25375	2.5
401.26575	23.9
401.31793	1.2
402.26877	1.4
418.39133	0.8
419.27701	100.0
419.39417	2.5
420.28113	8.6
420.34106	1.2
423.50891	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33385	1.1
57.03440	21.9
61.02918	5.0
69.03429	30.0
70.52058	1.9
70.52428	1.2
71.01348	3.5
73.02917	36.5
75.04489	1.2
77.62044	1.1
81.03445	1.3
83.01379	1.1
85.02905	35.9
87.04464	14.2
88.83074	1.0
91.05479	100.0
92.05821	3.0
97.02890	45.6
98.03242	1.3
103.03934	1.5
105.07076	2.8
107.04908	1.6
109.02870	1.9
115.03930	41.7
117.07014	1.4
127.03924	8.2
129.07076	1.4
132.06525	1.2
133.04974	25.8
133.06532	3.1
134.05159	1.1
145.04944	10.4
150.07645	4.9
158.85292	1.1
161.04488	4.1
162.07593	1.4
163.06007	4.7
171.08133	1.6
175.07585	1.9
187.07524	1.5
205.08658	1.6
217.08653	4.3
223.06038	3.3
223.09662	3.6
235.09605	3.0
241.07126	3.3
253.10783	4.5
259.08124	3.2
295.10269	4.7
315.02518	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.0
55.01857	5.7
55.05509	33.5
57.03436	23.7
61.69863	4.3
67.05165	5.8
67.05505	92.3
69.03429	9.2
69.07063	21.6
69.19324	21.4
69.19731	7.3
71.01341	13.9
71.04997	10.0
71.08627	84.6
79.05495	64.4
81.07053	100.0
83.04990	22.4
83.08611	17.6
85.06544	8.4
91.05473	52.1
93.07048	47.8
95.04965	16.3
95.08608	45.2
97.06548	9.8
97.10157	12.1
98.23504	8.3
98.97571	5.7
99.08075	56.7
105.07018	29.1
107.04967	10.7
107.08622	28.0
109.06511	7.1
109.10148	32.7
111.08076	7.5
117.07021	8.0
119.08553	23.5
121.10147	17.3
123.42536	5.2
125.09579	10.1
129.05487	7.7
129.07025	5.4
131.08556	12.7
133.10141	21.5
135.11650	15.6
139.11235	11.0
145.10098	11.5
147.11691	6.5
149.13295	5.7
151.11166	31.0
159.11765	5.7
161.13245	22.5
163.11189	15.1
164.56404	4.3
168.63260	4.3
173.11743	64.0
177.12653	9.9
179.14331	26.0
179.15681	4.4
221.56540	4.3
229.14320	18.4
241.19357	6.1
243.15977	7.5
248.24966	4.9
253.17958	25.6
259.20596	13.7
268.16608	8.8
269.17416	9.3
277.21637	32.0
287.45575	5.3
335.21869	8.2
338.96747	8.6
351.25272	90.0
352.25583	5.8
420.29416	16.1
421.20044	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	420.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60407	1.4
55.01876	3.0
55.05508	4.4
57.03432	3.6
65.03951	1.4
67.05502	19.2
69.03431	3.8
69.07068	7.6
69.80393	4.6
69.94435	1.5
71.01373	1.5
79.05495	10.8
80.02900	1.3
81.03402	4.0
81.07059	16.2
83.04977	2.1
83.08615	6.1
85.02907	9.8
91.05489	9.6
93.07033	10.5
95.04971	3.1
95.08604	8.5
97.02901	1.7
97.06516	12.9
97.10146	3.3
98.23446	1.9
99.08096	1.7
105.07051	7.6
106.06536	6.1
107.04928	3.0
107.07330	4.5
107.08585	10.8
108.07500	1.5
108.08100	8.4
109.02915	1.5
109.06529	2.4
109.10144	10.8
111.08056	1.5
113.09693	1.6
117.07010	2.2
118.06541	3.0
119.08569	5.8
121.10120	4.6
123.04382	1.9
123.06814	3.2
123.11642	2.3
129.07024	1.8
131.08553	3.8
133.06516	1.6
133.10152	4.9
135.04414	2.6
135.11594	1.3
137.06012	1.9
137.08411	2.5
143.08598	2.1
145.10139	2.3
146.09619	3.0
147.11737	2.8
149.09663	2.8
149.13258	4.7
150.09148	56.9
151.03909	3.4
151.09918	100.0
152.10463	4.2
155.05769	3.3
155.10616	1.6
159.11685	4.2
160.11221	2.0
161.02335	1.3
161.13316	1.7
163.03888	9.9
163.11243	1.6
164.07065	1.6
165.05460	3.2
165.09056	1.3
167.07056	8.1
168.07268	1.8
173.02431	1.6
173.11758	3.8
173.13217	2.0
177.12735	4.6
181.04985	1.7
195.13782	2.7
204.13776	2.2
215.07008	4.9
229.14337	18.2
244.20520	2.6
246.28835	1.5
251.16557	1.3
257.19049	2.6
259.09689	13.0
269.17474	23.0
272.20062	15.6
275.20114	8.5
290.21057	3.0
298.36911	1.4
314.04175	1.5
349.23676	10.9
367.24673	10.0
402.17151	1.8
402.22626	12.4
403.13867	5.9
420.27985	87.7
421.28366	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	421.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94427	9.8
52.12006	8.9
55.05504	20.0
57.07077	16.7
58.91335	8.9
59.03513	8.8
64.43803	9.2
67.05502	14.8
69.07064	19.3
69.30267	51.1
79.05499	23.0
81.07065	27.5
85.06532	12.0
91.05486	29.1
92.53722	10.2
93.07066	29.6
95.08618	23.5
98.86816	11.9
101.68590	9.6
105.07048	31.7
107.08617	14.6
109.10181	17.8
112.74195	9.6
114.13551	8.6
117.07035	17.4
119.08588	23.1
119.11449	10.4
121.10162	20.1
131.08630	17.7
133.10210	12.6
133.76392	8.6
135.08102	15.7
135.47206	10.4
136.97755	9.1
161.09549	10.9
263.20081	100.0
341.26675	39.9
371.25626	15.3
403.28415	28.3
416.72006	10.8
421.23853	71.0
421.29175	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	421.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
55.01873	4.0
55.05510	33.5
56.29078	2.5
57.07067	4.5
65.03933	5.8
67.05505	70.0
69.07067	34.8
70.44975	2.9
71.04995	7.9
79.05491	56.9
81.07055	74.0
83.04975	7.1
83.08628	12.6
85.06540	5.0
91.05478	93.5
93.07040	58.2
95.04973	8.6
95.08606	51.4
97.06536	9.2
97.10172	6.0
103.05473	9.4
105.04471	3.5
105.07024	95.6
107.04970	6.4
107.08578	31.3
109.06522	7.1
109.10168	12.7
111.08080	5.5
115.05456	4.7
117.07015	34.1
119.08585	60.2
121.06495	8.5
121.10136	21.1
123.08065	6.1
123.11768	3.5
125.09723	2.9
128.06160	3.7
129.07001	22.5
130.07819	3.7
131.08568	58.0
133.06506	5.3
133.10132	32.2
134.26236	2.7
135.08052	53.6
135.11723	12.6
141.06984	7.7
143.08546	24.1
145.10124	43.4
147.08000	4.8
147.11697	12.2
149.09605	11.0
149.13240	4.2
155.08533	15.3
157.10123	17.0
157.61974	2.8
159.08054	3.2
159.11681	15.9
161.09642	7.2
161.13274	5.9
163.11223	4.4
167.08479	5.8
169.10149	14.0
171.08031	4.1
171.11720	15.1
173.09685	3.5
173.13286	10.3
177.12692	16.5
179.14270	5.6
181.10175	9.0
183.11739	8.6
185.13313	7.1
187.14890	10.0
197.13229	11.4
197.72040	2.8
199.14766	4.5
201.12811	3.5
209.13275	4.8
211.14818	7.9
213.12758	4.6
215.14453	3.0
219.13768	3.7
225.16553	3.3
233.15355	8.0
237.16463	3.4
247.16983	5.1
255.17514	3.8
259.17163	4.8
261.18607	7.8
273.18567	5.9
281.46912	2.9
325.25180	11.3
329.24658	7.3
335.23700	18.3
339.14944	3.2
341.26685	9.7
343.26248	18.9
347.25815	8.9
353.20648	4.9
353.24689	46.1
371.25763	68.4
385.27484	7.0
389.26846	100.0
390.27194	6.5
403.28369	65.4
403.33636	3.8
421.24521	5.2
421.29486	63.8
422.29465	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	421.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
53.91002	0.8
55.01871	3.7
55.05513	8.2
57.03434	10.2
57.07075	32.3
64.74738	0.8
65.74214	0.9
67.05511	12.1
69.03445	1.2
69.07062	10.2
69.31851	3.8
70.06584	1.1
71.04994	1.8
71.08607	1.3
74.06107	0.9
74.89992	0.9
79.05486	8.7
81.07055	21.3
83.04974	3.4
83.08601	3.4
85.06047	1.1
85.06544	15.8
91.05483	7.3
93.07045	13.5
93.38737	0.8
95.04971	1.7
95.08602	14.3
96.48447	0.8
97.05975	0.8
97.06521	5.0
97.10131	0.9
98.22707	1.8
98.97564	1.4
102.09200	0.9
104.99279	3.8
105.07027	6.0
107.08590	13.6
108.69623	0.8
109.06531	14.6
109.10154	7.0
111.04444	4.3
111.08089	3.9
117.07007	1.2
119.08567	6.5
121.06525	1.1
121.10141	7.5
123.08054	8.9
123.11703	2.5
125.05992	2.6
129.07019	1.1
131.08597	2.6
133.10124	6.4
135.08052	14.5
135.11659	4.5
137.05966	22.7
137.09598	1.7
138.06650	1.2
139.07562	2.5
143.08589	1.9
145.10147	4.2
146.94829	0.8
147.04327	1.7
147.11687	3.1
149.02306	2.0
149.09615	3.0
149.13248	3.5
151.07509	6.7
151.11209	2.9
154.46837	0.7
157.10133	1.3
159.11664	4.1
161.09631	4.3
161.13245	3.0
163.11171	2.3
163.14873	1.4
165.09123	2.0
165.11465	1.1
165.12752	7.3
171.11671	1.4
173.13326	1.5
175.11209	2.6
177.09192	0.9
177.11398	1.3
177.12714	6.8
179.10704	1.0
179.14366	3.7
181.12216	1.1
184.04402	1.7
191.14354	2.5
193.12294	2.1
195.13765	1.0
203.14398	1.1
206.05830	1.1
207.13770	9.3
213.16380	1.0
219.09972	5.8
221.15242	0.9
221.19084	0.9
233.18979	3.9
241.70045	1.0
249.18542	1.1
262.98120	1.6
263.20090	5.2
274.97552	2.6
277.17996	1.5
291.19656	1.3
291.26941	0.9
301.25424	1.3
305.24817	2.5
312.57489	1.0
319.26306	9.7
329.24936	4.9
337.27438	4.8
338.96753	6.3
339.19028	9.1
347.25803	100.0
348.26047	5.8
356.97913	1.4
365.26852	23.6
366.26996	1.4
387.25134	2.3
393.30063	12.9
403.28485	3.6
421.29474	89.9
421.78366	1.7
422.29553	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	421.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01867	7.0
55.05510	16.1
56.57984	1.2
57.03439	12.1
57.07073	11.5
58.87769	1.2
64.48385	1.1
65.03929	1.3
66.09694	1.3
67.05502	27.4
69.03422	2.6
69.07067	29.9
69.68217	4.6
71.04976	3.3
71.08622	1.9
79.05487	19.1
81.07056	31.3
82.47489	1.2
83.05000	6.4
83.08620	8.5
85.06541	8.7
91.05488	13.0
93.07040	28.8
95.04961	5.5
95.08600	27.5
97.06536	10.9
97.10181	2.2
99.08118	2.1
104.99271	3.4
105.07027	9.0
107.08589	29.4
109.06519	19.7
109.10151	10.8
111.04459	6.0
111.08093	5.8
114.13403	1.1
117.07049	2.8
119.08592	14.3
121.10157	12.0
123.08051	13.9
123.11699	3.9
125.05978	5.7
125.09658	1.4
131.08559	4.3
133.10130	8.6
135.08046	47.6
135.11674	16.4
137.05972	16.9
137.09633	2.2
137.13245	2.4
139.07556	2.7
140.81595	1.2
143.08578	1.4
145.10097	6.8
147.08058	2.6
147.11705	6.3
149.09599	5.8
149.13248	3.2
151.07549	10.9
151.11223	2.3
153.12753	4.5
157.10152	2.3
159.11681	4.0
161.09657	5.6
161.13235	2.2
163.11153	4.0
163.14824	2.1
165.12755	6.4
167.14287	2.6
175.11130	3.4
175.14809	2.2
177.12749	16.0
179.14342	5.4
181.12215	7.6
191.14313	3.1
193.12221	3.3
195.13904	1.7
203.10603	1.4
203.14261	1.8
205.15883	1.6
209.03249	1.1
217.14293	2.5
221.15404	1.3
221.19017	5.8
223.13029	15.4
231.17596	1.5
233.19113	1.3
235.20558	4.3
245.19304	1.3
249.18391	2.5
263.20074	5.4
274.97382	1.6
277.21558	1.3
287.23779	2.4
291.19608	1.7
301.25302	1.6
303.26810	2.0
305.21521	3.5
305.24716	90.5
306.25055	3.4
307.18906	4.5
316.23398	1.3
319.26328	24.3
319.29904	2.0
329.24747	11.5
337.27423	1.9
338.96719	4.6
347.25797	100.0
348.26105	4.2
348.77167	1.2
349.17017	1.5
365.26819	12.5
393.30093	8.8
403.28503	4.1
421.25372	77.3
421.29526	81.5
422.25067	5.9
422.29990	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	422.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.0
61.02927	2.2
67.05498	5.1
69.03416	5.3
69.07073	3.6
71.04997	5.8
79.05499	12.8
81.03413	2.5
81.07055	9.1
83.04973	4.9
85.02904	10.8
91.05482	5.4
93.07043	6.3
95.04967	6.5
95.08591	4.4
97.02898	2.6
97.06518	6.7
99.04446	9.2
105.07024	7.5
107.04961	21.2
107.08578	6.6
109.06523	4.2
109.10156	29.0
111.08072	1.7
119.08572	14.3
121.06503	3.3
121.10122	2.4
123.08067	3.0
125.05981	5.6
127.03904	2.8
128.06215	4.4
129.06982	5.3
133.10104	11.6
135.08051	1.9
137.05980	1.8
137.09608	53.6
143.07065	2.5
143.08542	11.1
143.09509	1.8
146.07166	2.9
147.08031	18.7
151.03949	2.9
151.11082	1.7
155.10561	1.6
161.09621	100.0
161.13281	3.6
162.09909	3.8
165.09111	87.8
166.09474	3.0
174.06630	2.3
174.10718	1.6
179.10664	9.7
186.97997	1.9
189.09142	12.1
197.11772	3.8
199.13341	3.4
207.10152	93.6
207.13487	3.4
208.10497	5.3
225.11217	53.3
225.14597	9.0
226.11534	3.1
236.38261	1.9
243.12265	4.1
243.15837	3.2
307.41034	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	422.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.6
55.05511	2.4
61.02926	1.1
67.05499	3.1
67.38218	1.2
69.03418	2.0
69.07072	2.4
71.04993	4.6
71.45017	1.0
71.85240	1.0
79.05505	2.6
81.03413	1.7
81.07049	3.7
83.04974	1.9
83.08619	1.4
84.33987	1.1
85.02894	8.1
87.04464	2.4
90.84789	1.0
91.05479	1.8
93.07024	3.2
95.04965	3.8
95.08595	6.1
97.02870	1.9
97.06532	2.4
99.04450	10.5
105.07016	2.9
107.08591	25.8
109.06517	4.7
109.10157	5.5
111.08064	2.1
119.08611	1.6
121.10109	6.0
123.08064	65.1
123.11676	5.2
125.05988	5.2
125.09624	15.8
131.08521	2.8
136.06160	1.7
137.06001	1.6
137.09637	1.9
139.11172	2.8
147.11682	2.3
149.09616	25.4
151.07515	5.1
165.09122	4.2
165.12778	3.1
167.07124	1.0
167.10677	6.7
169.08588	10.4
169.12219	1.5
171.11682	1.4
179.14320	4.0
183.13834	3.3
189.12723	6.1
195.13811	1.4
207.08476	1.2
207.13806	14.7
219.58356	0.9
225.14838	100.0
226.15106	5.0
243.16039	6.2
344.51947	1.1
351.14471	1.3
422.20279	1.6
422.25760	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.6
55.01888	3.1
55.05508	9.5
61.02923	3.7
67.05515	10.5
69.03432	7.8
69.07070	7.6
69.30560	7.5
69.30969	8.5
79.05502	9.7
81.03416	31.8
81.07063	14.0
83.04992	10.5
83.08620	6.6
84.08154	6.2
85.02895	16.2
85.06523	4.5
91.05496	14.3
93.07047	18.0
95.04966	41.8
95.08603	15.8
97.02901	8.1
97.06537	9.0
105.07048	25.6
107.08587	25.4
109.06543	10.6
109.10126	5.2
111.08060	3.2
113.06010	5.1
117.07030	6.0
119.08558	23.0
121.06520	7.1
121.10136	22.6
123.04440	9.5
123.08087	8.5
125.02345	7.7
125.05993	5.0
125.09637	4.9
127.03989	4.0
131.08582	21.8
133.10153	9.3
135.11694	3.7
139.03923	6.4
139.07599	4.5
143.08554	5.0
145.10144	3.7
147.04430	3.9
147.08066	3.5
147.11662	21.5
149.09612	16.6
151.03905	13.4
151.07520	11.3
159.11710	12.3
161.13312	10.3
163.11244	3.5
165.05457	5.3
165.12769	27.1
167.03429	9.6
169.08682	4.6
171.11737	4.8
177.12794	10.0
179.95320	3.0
189.09146	4.3
189.12733	20.0
195.13881	9.5
207.10315	7.4
207.13802	100.0
211.06003	20.4
225.07654	5.6
225.11253	10.9
225.14867	37.6
229.07246	4.1
243.08669	10.1
243.15955	20.4
259.37103	3.0
290.99622	3.2
384.75253	3.0
406.89017	3.2
422.18277	10.0
423.17734	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	422.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43695	0.5
55.00068	0.5
55.01852	1.1
55.05513	16.9
67.05509	2.8
68.85149	0.5
69.03412	1.0
69.07056	0.7
69.47053	2.9
71.04980	2.0
79.05475	1.7
81.07031	2.4
83.04981	24.3
83.08604	0.8
85.02901	3.3
87.04486	2.9
91.05492	1.2
93.07010	1.9
95.04964	1.9
95.08584	2.4
97.02902	0.9
97.10190	0.7
98.22758	1.4
99.04453	3.0
105.07040	3.3
107.08593	7.3
109.02846	0.7
109.06545	3.2
109.10165	6.2
111.04377	0.6
111.08073	3.3
119.08564	1.9
121.10156	4.0
123.08066	8.7
123.11654	1.3
124.71078	0.6
125.05965	1.1
125.09654	5.0
127.07560	0.7
127.11189	0.6
131.08568	1.1
135.08023	1.3
135.11690	0.8
137.13261	1.2
139.11154	2.2
145.04933	0.8
145.10130	0.8
147.11681	3.8
149.09634	4.7
151.07571	1.9
152.08301	1.8
156.09366	0.9
159.11629	0.8
160.83131	0.7
161.13258	1.1
165.12758	3.6
167.10649	1.8
171.11636	1.7
189.12752	4.7
207.13799	6.5
211.05920	0.8
225.14853	100.0
226.15169	3.6
284.24710	0.7
398.89841	0.7
422.17145	25.9
423.17282	3.1
440.83133	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40284	4.4
85.02920	1.2
101.34358	0.9
123.64429	0.9
167.06985	1.1
175.13972	0.9
423.12607	100.0
424.13052	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	423.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.3
68.98279	0.7
69.03426	0.8
69.56760	2.5
81.73884	0.5
82.99849	1.4
85.02905	1.5
87.52822	0.5
97.01395	1.1
97.02856	0.8
98.23397	0.9
98.97568	7.4
101.00887	11.2
101.29338	0.6
105.00410	0.6
113.00872	2.5
115.02435	3.6
116.98624	1.8
117.03984	0.8
119.01924	11.4
121.06541	1.0
127.02405	8.4
129.03958	1.2
131.01929	5.1
133.03450	2.9
134.99597	0.6
135.04985	0.7
137.00885	1.6
139.02403	2.4
141.03912	1.2
143.01906	9.4
144.11841	0.7
145.03467	26.5
146.03595	1.1
147.01306	0.8
147.05022	1.2
149.05956	1.3
151.81247	0.6
153.03961	1.4
155.01898	18.1
157.03452	11.0
159.04999	2.6
159.08420	0.6
161.02939	7.0
163.04422	1.2
167.01918	5.9
167.03230	0.8
167.07050	5.4
169.03436	3.9
171.05029	9.1
173.02959	15.1
173.06577	1.8
175.04506	1.8
177.05502	1.2
178.32336	0.6
181.03522	1.1
183.05003	3.7
185.02968	16.2
186.03152	0.8
187.04514	1.9
189.06090	1.6
191.03946	0.8
197.03008	4.3
199.04475	1.0
201.06090	2.4
203.03993	7.3
209.03018	1.6
209.08136	2.1
211.04489	1.9
215.04008	4.2
219.01691	0.8
221.03102	1.2
221.05130	2.5
223.04425	0.8
225.14920	0.7
227.04015	3.2
227.09201	3.7
239.03990	1.8
249.08189	25.5
250.08461	1.6
255.07243	0.7
257.05112	1.8
258.99823	3.0
267.09256	10.2
268.09543	0.9
271.06619	1.7
277.00854	2.6
280.98090	1.1
287.06061	1.2
305.10876	0.7
315.09250	6.7
333.10297	32.8
334.10565	2.2
345.10309	2.6
363.11349	100.0
364.11484	7.3
381.12332	1.8
391.12012	1.0
401.00781	1.5
423.12692	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	423.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57344	0.8
55.05508	3.6
56.05024	2.4
66.55437	0.7
67.05486	1.4
68.05033	4.8
69.07063	2.9
69.63818	0.7
69.64149	3.1
70.06584	3.7
73.51237	0.7
74.02434	2.3
79.05473	1.7
80.05009	3.1
80.48037	0.7
81.07056	2.2
82.06580	5.4
83.04974	1.0
83.08626	1.2
84.08128	2.4
86.09695	2.5
88.03978	1.0
91.05486	4.1
93.05801	1.5
93.07029	7.2
94.06549	2.1
94.07381	0.9
95.04958	1.8
95.07362	4.8
95.08607	1.6
96.04493	1.5
96.08129	1.9
97.06539	1.2
98.23358	1.5
102.05563	0.8
105.07072	1.2
107.04933	1.0
107.08598	0.9
108.08121	24.8
109.06516	1.1
109.10164	0.9
110.09677	35.5
111.04432	1.1
111.05560	1.0
112.07569	0.9
118.06498	1.0
120.04465	1.2
136.07541	1.2
138.05476	1.3
138.09135	1.1
138.12785	5.6
139.03897	32.2
140.04202	1.1
145.10266	0.8
146.00342	0.8
146.06010	3.3
148.07573	1.7
153.05475	3.6
158.11803	1.0
160.07587	1.3
165.05452	2.2
165.09067	1.0
176.14371	1.2
178.05031	1.0
178.08641	1.9
179.11812	2.7
184.13260	2.8
188.07057	1.4
199.21823	1.0
204.06598	1.4
213.81793	0.8
216.06546	1.8
221.16521	4.4
223.14746	0.8
225.12384	1.3
227.44312	0.8
248.09091	1.1
267.17111	4.0
277.61359	0.8
321.18195	1.6
377.20645	1.5
379.18527	2.4
391.18607	4.7
423.21185	100.0
424.21503	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	423.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	6.6
67.05500	7.0
70.20155	9.8
70.20510	4.4
80.24677	3.8
81.07059	10.0
91.05499	5.8
93.07043	5.9
95.08599	6.6
105.07025	6.7
107.08588	7.0
109.10170	7.9
116.73947	4.6
119.08574	8.1
121.10162	8.1
133.10162	4.2
145.10254	5.3
267.09399	4.8
321.16806	12.0
343.91971	4.7
363.14682	6.6
381.15897	11.0
405.31284	4.6
420.93338	4.4
423.21317	100.0
423.32187	27.7
424.22400	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32732	4.3
52.81157	4.9
52.95107	5.1
67.05532	9.0
69.07052	8.8
72.44022	5.1
79.05512	6.0
81.07069	10.1
93.07059	8.6
95.08604	12.2
95.67151	5.0
96.01875	12.3
97.06541	6.6
101.61709	4.8
105.07012	6.5
107.03290	4.6
107.08637	4.9
123.08085	7.5
135.38142	4.8
137.24001	5.3
144.46481	4.7
149.09673	5.6
177.09206	5.3
179.14267	7.4
179.65147	5.0
255.16763	5.4
311.62775	5.5
337.16196	12.8
351.17398	7.6
423.15176	10.3
423.21347	100.0
424.21811	6.7
429.51315	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
62.74273	6.7
67.05500	14.6
69.07058	9.9
69.56287	14.9
73.26801	5.3
79.05461	7.8
81.07037	15.2
91.05495	6.4
93.07028	8.6
95.08605	8.0
105.07013	10.6
107.08567	13.3
109.06514	11.4
119.08575	12.8
121.10083	12.0
123.08083	16.3
133.10123	7.7
145.10091	10.1
145.70084	6.6
149.02335	23.3
150.02679	8.2
159.11635	6.2
168.50621	6.1
179.14317	25.8
193.04918	8.2
266.94833	6.8
331.26315	19.3
331.33585	7.6
378.85883	6.1
405.25958	11.9
423.21286	80.5
423.27191	100.0
438.55698	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	423.2352
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
50.89204	0.5
55.01853	0.6
56.14205	0.6
62.21046	0.5
67.05515	1.2
69.07050	1.0
81.07072	2.1
86.09705	0.5
91.05487	0.9
93.07054	1.1
95.08570	0.9
97.06559	0.9
99.02944	0.5
104.44543	0.6
109.10174	0.7
131.08643	0.6
148.07500	0.9
149.35910	0.6
149.39046	0.6
159.11656	0.7
161.13251	0.7
210.02049	1.3
264.55621	0.7
335.18323	1.8
359.04422	1.5
377.05496	5.8
395.06439	1.9
423.23557	100.0
424.23892	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	423.2355
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
50.40084	0.2
50.84407	0.3
54.85935	0.2
55.05527	0.5
58.38054	0.3
63.46731	0.3
65.03954	0.4
67.05513	0.5
71.45000	0.3
72.59637	0.2
72.63497	0.3
73.35455	0.3
79.05500	0.6
81.07053	0.6
82.20050	0.3
88.07648	0.3
90.22566	0.3
91.05476	0.5
93.07030	0.5
95.08598	0.5
98.98500	0.3
110.10226	0.3
131.08572	0.4
149.02318	1.5
150.02632	0.5
155.01118	0.4
171.08395	0.3
193.04945	1.7
194.05304	1.2
256.26483	0.4
257.26682	0.5
295.15021	0.3
310.86783	0.3
326.75827	0.3
333.19049	0.4
344.45816	0.3
349.19949	1.4
423.23538	100.0
423.28448	3.4
424.18076	0.4
424.23853	7.7
424.29761	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	423.2722
Annotation	Tritoniopsin C
Peak:m/z	Relative Intensity
55.05494	1.7
57.03428	1.8
57.07053	0.9
67.05507	4.4
69.07053	3.1
69.10390	4.1
71.08622	1.4
79.05479	2.4
79.64822	0.6
80.94838	1.2
81.07057	5.0
83.08624	0.7
90.40998	0.6
91.05443	2.0
91.84816	0.7
93.07043	3.4
95.08624	3.5
105.07007	2.0
107.08556	2.3
109.06511	3.3
109.10118	1.8
119.08538	1.7
121.10103	1.9
123.08070	6.5
127.21915	0.7
131.08553	1.9
133.10098	1.5
135.08031	1.0
135.11720	1.1
137.09605	0.8
145.10129	1.0
147.11705	1.0
149.13268	0.7
159.11642	1.2
161.13139	1.4
177.12711	0.7
179.12871	0.8
179.14310	12.6
181.01036	0.7
201.78903	0.7
297.88791	0.7
315.16339	0.8
319.18585	1.0
323.18033	0.8
331.26331	6.4
333.17191	2.2
339.18802	1.0
349.27130	1.3
350.27783	0.6
393.26157	0.7
405.25891	3.4
423.26855	100.0
424.27240	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	423.2742
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03934	4.9
55.01870	6.7
55.05513	33.3
57.03440	7.6
57.07064	5.9
59.07776	2.9
65.03934	4.9
67.05505	89.3
69.03434	24.1
69.07066	47.3
71.04982	4.4
79.05049	5.3
79.05493	82.3
81.03416	12.6
81.07057	100.0
83.04970	11.6
83.08608	16.2
85.02901	41.0
85.06532	5.0
91.05484	53.9
93.07046	84.6
95.04959	13.9
95.08601	72.9
97.02879	17.0
97.06564	4.6
97.10148	6.2
98.23512	6.3
99.04449	4.7
105.07030	44.6
107.04958	4.6
107.08587	47.9
108.08942	3.2
109.02864	4.1
109.06536	8.0
109.10143	38.0
109.37318	3.0
111.04464	7.4
111.08098	4.3
111.11723	12.4
117.06999	23.3
119.08559	39.7
121.06542	3.1
121.10141	43.7
123.08078	7.5
123.11720	13.1
125.32349	2.9
127.03928	10.3
129.06998	8.1
129.12764	10.7
131.08568	35.5
133.06497	6.3
133.10130	26.6
134.63513	3.2
135.08070	4.2
135.10732	4.6
135.11674	35.1
137.09604	4.5
137.13249	5.2
141.01945	3.2
141.07072	3.1
143.08545	9.4
145.04974	4.6
145.10115	34.5
147.08023	3.3
147.11673	25.3
149.02373	18.2
149.09616	4.0
149.13261	20.8
155.08545	7.4
157.10104	10.6
159.11705	18.2
161.09622	5.6
161.13235	16.0
163.11182	3.9
163.14848	7.6
169.10178	5.2
170.61209	3.1
171.11728	6.1
173.13297	22.3
175.14824	4.5
179.14330	7.6
183.07997	3.4
185.13228	3.9
187.14758	7.0
199.14841	7.0
201.16283	3.1
226.97641	2.9
243.21074	6.5
259.20575	16.0
261.22107	47.2
277.21677	8.1
279.23203	4.4
289.21582	8.6
303.23248	7.3
315.23132	5.3
327.23257	6.1
331.26172	7.5
337.14139	6.5
345.24243	9.6
351.23260	7.1
369.24216	20.6
387.25299	14.8
405.26230	26.9
423.21671	6.3
423.26630	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.3
53.03947	4.3
55.01864	4.7
55.05513	25.9
55.82001	0.7
57.03436	8.2
57.07079	5.1
59.05001	2.5
61.02940	1.2
65.03944	4.8
67.05505	98.2
69.03432	20.0
69.07070	21.7
69.07446	1.4
69.73620	3.1
71.01357	3.0
71.04995	6.7
71.08627	1.3
71.76100	1.0
73.02921	3.2
77.03925	3.8
79.05493	72.6
80.05827	1.4
81.03417	12.0
81.07056	100.0
82.07390	1.6
83.04974	9.5
83.08623	12.1
83.30693	0.9
85.02908	37.8
85.06543	3.3
87.04471	1.4
91.05484	44.8
92.01176	0.9
92.05798	1.5
93.07043	87.2
94.07388	1.3
95.04988	11.2
95.08606	72.3
96.08957	1.1
97.02892	17.5
97.06512	4.7
97.10178	5.6
99.04459	6.4
99.08105	3.3
105.04512	3.5
105.07030	46.2
107.04971	4.1
107.08593	48.7
109.02885	3.3
109.06493	5.8
109.10155	36.9
111.04472	5.0
111.08092	2.9
111.11728	1.8
113.02394	2.2
115.03875	0.9
115.05462	1.9
116.06185	0.9
117.07015	18.9
119.06046	1.2
119.08578	34.7
121.06525	2.8
121.09267	2.1
121.10146	42.8
122.10483	1.2
123.04424	1.1
123.08064	8.3
123.11707	15.0
125.05994	1.6
125.09609	1.9
126.71011	0.8
127.03925	13.4
128.06256	1.7
129.05473	4.0
129.07024	8.6
130.07787	1.6
131.08560	28.9
133.06502	5.8
133.10130	31.3
133.65959	1.0
135.08080	4.8
135.11688	31.8
136.12007	1.2
137.09607	3.1
137.13240	4.5
139.07559	1.4
139.11191	1.3
141.07001	3.0
142.07762	1.4
143.03427	1.0
143.08575	8.9
145.04962	5.8
145.06490	1.3
145.10124	23.6
147.08063	3.6
147.11687	21.3
149.09679	1.8
149.13240	16.8
151.11171	1.6
151.14786	1.3
155.08540	4.2
157.06543	2.2
157.10121	7.9
158.07147	0.9
159.08047	2.5
159.11700	19.6
161.09645	3.3
161.13272	15.7
163.11198	2.6
163.14824	7.2
165.12819	1.3
167.08490	1.5
168.09358	0.9
169.10136	3.2
171.08104	1.6
171.11720	4.4
173.09625	2.2
173.13260	16.1
175.11203	3.0
175.14859	5.8
177.12756	1.6
177.16428	2.5
179.14273	8.3
181.10167	2.5
183.08141	1.0
183.11722	3.5
185.09612	3.1
185.13239	6.9
187.11192	2.6
187.14816	6.5
189.12686	2.6
189.16432	1.8
191.10777	1.0
195.11717	1.2
195.13747	1.1
197.09563	1.4
197.13301	3.2
199.11200	1.7
199.14850	3.4
201.12863	1.8
201.16467	2.8
203.14427	1.1
211.11250	1.5
211.14763	1.3
213.12759	1.6
213.16373	1.5
215.14343	1.3
215.17909	1.6
221.15404	1.0
223.16884	1.0
231.21056	1.7
233.22748	2.2
239.17899	0.9
241.19545	4.1
243.21101	7.5
244.21368	0.9
259.17618	1.1
259.20563	15.0
261.22137	38.4
262.22604	1.2
275.20041	1.9
277.21661	7.6
279.23166	6.7
285.22531	1.5
287.23721	1.1
289.21591	5.5
291.23093	2.1
297.22284	1.3
299.23709	1.8
301.21603	2.7
303.23178	7.3
305.24747	2.6
313.21680	1.4
315.23251	7.0
317.24808	1.7
319.23047	0.9
323.23767	1.0
327.23114	3.7
331.26324	3.4
333.17612	1.0
333.24124	1.5
341.24640	4.2
345.24197	7.7
349.27332	1.6
351.23157	3.6
357.24191	5.8
359.25763	1.3
369.24231	16.4
387.25247	12.8
405.26288	9.5
423.26596	22.1
423.31616	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	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01863	0.6
55.05513	4.1
57.02634	0.4
57.03431	1.7
57.07080	2.2
64.01810	0.4
67.05507	7.2
69.03422	0.6
69.07067	5.3
69.24440	2.6
71.04989	0.6
71.08624	1.6
75.04477	0.9
79.05490	4.9
81.07063	8.9
83.04975	0.5
83.08620	2.5
85.06551	1.2
91.05476	3.3
93.07047	6.7
93.18699	0.4
95.04984	1.0
95.08607	8.2
96.08844	0.4
96.16929	0.5
97.06538	1.5
97.10184	0.9
98.23444	1.0
99.08119	0.9
105.07038	3.4
107.08591	7.0
109.06519	12.3
109.10186	3.7
111.08061	1.5
117.06994	0.9
119.08581	4.3
121.06520	0.9
121.10157	3.7
122.07267	1.1
123.08073	36.3
123.11687	0.9
124.08352	1.0
125.09642	0.7
130.79521	0.4
131.08556	1.4
133.10118	2.9
135.08047	8.0
135.11678	1.7
137.09615	2.0
137.13225	0.6
145.10123	2.6
147.11711	1.8
149.09610	3.4
149.13246	1.2
151.11159	0.8
157.10109	0.9
159.11702	2.2
161.09613	0.8
161.13286	1.4
163.11183	1.0
165.12759	0.8
167.14313	0.8
173.13272	0.8
175.14861	0.8
176.76439	0.4
177.12762	3.2
179.14311	36.5
180.14705	1.1
191.14322	0.6
193.15862	0.7
205.15944	1.4
233.19144	1.2
247.20677	0.7
263.20050	0.7
275.20016	3.2
276.42087	0.6
292.96860	0.5
293.21207	0.5
303.26923	2.5
313.25375	0.9
317.67728	0.5
331.26309	27.2
332.26501	2.3
349.27274	1.7
367.24869	1.4
405.30063	1.1
423.31064	100.0
424.31387	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	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
55.05517	5.0
57.03436	2.1
57.07069	2.5
59.29290	0.5
62.72121	0.5
63.72461	0.5
67.05509	7.6
69.07065	8.9
70.63422	1.0
71.04982	1.6
71.08627	2.5
79.05474	4.3
81.07056	11.9
83.04976	1.2
83.08615	4.3
85.06551	1.4
86.96159	0.6
91.05486	3.0
93.07039	7.5
95.04955	0.8
95.08604	10.4
97.06538	1.7
97.10171	2.0
105.07023	4.0
107.08599	7.8
109.06523	10.4
109.10165	4.8
111.08073	1.3
117.06987	0.8
118.98228	0.5
119.08575	6.5
121.06480	1.3
121.10152	4.1
122.07337	0.9
123.08067	49.3
123.11684	2.2
124.08418	1.3
131.08566	1.7
133.10130	4.8
135.08052	8.2
135.11684	2.8
137.09621	3.5
137.13257	1.3
139.11197	0.6
145.10106	2.9
147.11699	2.6
149.09625	3.0
149.13248	1.6
155.59412	0.6
159.11729	2.4
161.13312	1.5
165.12747	1.0
167.14259	0.9
171.87396	0.6
173.13272	1.6
175.14812	1.1
177.12718	4.4
179.14304	26.6
180.14616	0.7
191.14342	1.2
193.15921	1.6
205.15953	1.6
233.19070	1.2
247.20618	1.0
261.22241	0.5
263.20078	1.0
266.22537	0.6
275.20044	5.1
289.25165	1.0
293.21115	4.0
303.26822	3.8
313.25314	1.1
326.02740	0.5
331.26306	28.2
332.26776	1.4
349.27405	8.1
367.24893	1.6
405.30136	2.1
423.31049	100.0
424.31339	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	423.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01873	1.0
55.05516	5.9
57.03436	2.3
57.07070	2.5
65.03971	0.7
67.05515	8.6
69.07071	9.2
69.86290	0.6
69.86586	1.0
71.04999	1.3
71.08623	2.5
79.05498	4.0
81.06620	1.1
81.07062	11.2
83.04975	0.6
83.08611	2.8
85.06551	0.9
91.05477	3.2
93.07055	7.8
95.04974	1.2
95.08606	11.1
97.06518	1.9
97.10168	1.4
99.08101	1.0
105.07027	3.7
107.08606	6.7
109.06522	12.7
109.07233	1.0
109.10171	4.2
111.08113	1.4
117.07055	0.8
119.08594	5.5
121.06507	1.0
121.10156	4.7
122.07336	0.9
123.08072	49.3
123.11687	1.6
124.08421	0.9
125.09590	0.6
131.08549	1.5
133.10146	3.3
135.08055	7.9
135.11723	2.3
137.09651	2.5
137.13216	1.2
137.40732	0.5
145.10118	2.1
147.11705	2.1
149.09627	2.6
149.13252	1.6
151.11160	0.7
159.11693	2.1
161.09679	0.8
161.13300	2.2
163.11180	1.1
165.12773	1.3
167.14333	0.9
173.13277	1.4
175.14917	0.8
177.12767	3.0
179.14311	35.7
180.14619	1.0
191.14322	0.9
193.15916	1.1
205.15945	1.4
233.19026	1.6
247.20856	0.8
263.20108	1.7
275.20102	3.5
289.25241	1.3
293.21115	3.6
303.26996	4.0
313.25232	1.0
331.26318	25.0
332.26581	2.4
349.27341	7.0
350.27722	0.8
367.24829	1.0
405.30014	1.4
423.31064	100.0
424.31375	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	423.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42581	0.9
55.05507	6.4
57.03433	1.7
57.07064	3.5
64.92722	1.1
67.05504	7.7
69.07069	7.4
70.59056	1.8
70.59390	1.5
71.04974	1.1
71.08624	2.9
79.05490	4.4
81.07059	13.7
83.08623	2.9
85.06577	2.2
86.04102	1.0
89.06023	1.6
91.05474	3.6
93.07048	7.7
95.04976	1.4
95.08610	10.1
97.06545	1.6
99.08086	1.6
102.17033	1.3
105.07034	5.2
107.08600	8.5
109.06513	15.1
109.10141	4.0
111.08062	2.6
117.07027	1.4
119.07853	1.1
119.08591	5.9
121.10141	3.2
122.07286	2.1
123.08062	33.9
123.11719	1.9
131.08661	1.1
133.10141	3.3
135.08046	9.8
135.11713	1.8
137.09636	1.6
139.11264	1.1
143.08586	1.2
145.10143	1.8
147.11671	2.9
149.09644	3.4
157.10147	1.0
159.11687	3.1
161.13220	1.4
163.11218	1.5
165.09103	1.5
167.14362	1.3
177.12822	2.9
179.14308	57.9
180.14632	2.4
185.70300	1.0
191.14148	1.5
193.15875	1.9
205.15924	3.2
221.15363	3.5
275.20129	1.7
293.21164	2.3
303.26672	2.2
331.26294	24.3
332.26666	1.6
349.27295	7.1
365.10483	1.4
405.35168	1.1
423.31036	100.0
424.31381	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	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18690	1.0
55.05515	5.7
57.03434	3.0
57.07078	6.4
64.17906	1.0
67.05509	10.9
69.03429	1.5
69.07089	7.7
71.04999	2.1
71.08628	6.4
79.05481	10.2
81.07059	16.4
83.04940	1.3
83.08611	3.8
85.06535	2.2
88.97462	1.1
89.06045	3.6
91.05488	5.4
93.07042	12.7
95.04975	1.8
95.08609	12.1
97.06494	1.6
97.10186	1.6
99.08106	2.5
105.07034	8.5
107.08598	11.7
109.06512	17.3
109.10178	5.5
111.08064	1.7
119.08582	6.3
121.06561	1.1
121.10149	6.2
121.19250	1.1
123.08071	34.6
123.11713	2.9
128.29276	1.3
131.08586	2.8
133.08675	1.8
133.10144	4.4
135.08063	7.6
135.11710	4.4
137.09676	2.3
145.10150	4.5
147.11685	3.6
149.09637	3.0
149.13287	2.8
151.11217	1.1
155.83569	1.1
157.10100	2.0
159.11694	2.6
161.13287	2.4
165.12819	2.9
173.13365	1.4
177.12703	2.0
179.14317	62.0
180.14734	2.3
185.13376	1.3
189.16426	1.9
193.15923	1.7
199.14906	1.2
205.15991	2.1
215.18024	1.3
221.15401	1.7
223.13054	1.5
233.19025	1.5
242.93365	1.1
264.14450	1.3
273.79453	1.2
275.20151	2.1
277.21631	2.8
293.21323	1.2
303.26862	1.9
319.18683	1.2
331.26276	23.5
332.26556	1.8
349.27313	6.4
367.24973	1.5
375.98721	1.2
405.29779	1.9
407.33841	1.5
423.31091	100.0
424.31381	8.9
431.24097	1.1
434.98206	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34700	1.1
53.09589	1.3
55.05510	3.5
57.07076	4.1
61.15025	1.2
67.05505	5.7
69.07061	4.5
69.28681	3.0
69.29073	3.0
71.08630	3.5
73.29128	1.1
79.05504	3.1
79.95646	1.1
81.07066	10.8
83.08613	2.7
85.06544	1.9
85.80863	1.3
89.06041	1.4
91.05499	3.2
93.07071	6.0
95.08626	9.2
95.51520	1.2
97.06517	1.3
99.08098	1.7
105.07027	4.2
107.08601	5.3
109.06530	13.4
109.10184	2.4
119.08604	3.8
121.10152	5.2
123.08074	21.3
123.11711	2.0
126.89079	1.3
133.10139	3.1
135.08081	5.0
145.10127	1.9
147.11711	3.2
149.13283	1.4
159.11731	1.7
165.12827	1.7
175.39963	1.2
176.22916	1.3
177.12849	2.2
179.14319	71.6
180.14653	3.0
185.13293	1.6
193.15862	2.4
205.15913	3.6
275.20071	1.5
331.26334	25.6
332.26883	1.7
349.27325	6.0
405.29889	2.1
423.31067	100.0
424.31253	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	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
55.05510	6.5
57.03430	2.5
57.07071	1.6
65.75616	0.7
67.05506	8.2
69.03439	0.6
69.07069	8.5
69.28828	3.6
71.04992	1.9
71.08649	1.1
79.05503	4.1
81.07051	11.2
83.04952	0.6
83.08630	3.8
85.06525	0.7
89.06045	1.1
91.05478	2.6
93.07043	7.4
93.84034	0.6
95.04967	0.8
95.08603	10.0
96.86856	0.5
97.06527	1.4
97.10147	1.7
98.22652	1.1
99.08078	0.9
105.07014	4.4
107.08600	7.4
109.06524	8.4
109.10168	4.8
111.08082	1.5
111.15088	0.6
119.08575	6.8
121.06535	0.9
121.10153	4.2
123.08070	45.1
123.11710	2.9
124.08370	1.2
131.08585	1.4
133.10126	3.5
135.08066	8.2
135.11707	3.2
137.09642	2.6
145.10121	2.7
147.11717	2.5
149.09621	2.4
149.13257	2.8
151.11189	1.0
159.11699	3.1
161.13268	1.9
163.14844	0.8
165.12743	1.1
173.13293	1.8
175.14911	0.9
177.12726	3.6
179.14305	14.0
185.04027	0.6
187.14822	0.9
189.16246	0.7
192.27983	0.6
193.15869	0.9
215.18092	0.7
233.19067	1.1
239.15073	0.8
247.20537	1.5
261.21964	0.6
263.20001	1.6
275.20041	5.0
289.25275	1.4
293.21130	3.6
303.26807	5.2
313.25400	1.2
331.26297	26.0
332.26666	1.9
349.27380	6.0
363.39017	0.6
367.24902	2.0
405.30295	1.4
423.31058	100.0
424.31372	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	424.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.0
55.05502	10.3
57.42667	1.5
57.65944	1.4
61.02940	1.4
62.06081	1.7
67.05495	3.8
69.03423	5.4
69.07062	4.3
70.72655	1.3
70.93856	1.3
71.01350	2.9
71.05002	3.1
71.23006	2.4
72.73910	1.3
76.38466	1.4
77.03928	2.1
78.05397	1.3
79.05488	21.9
80.05000	1.3
81.03420	5.5
81.07051	16.8
83.04981	5.9
84.08139	2.1
85.02907	10.8
85.06531	1.9
85.12731	1.3
91.05496	13.3
93.07040	20.2
95.04958	9.4
95.08616	4.5
97.02895	4.1
97.06528	2.0
99.04463	3.5
103.05463	19.8
105.07033	8.5
107.04951	18.0
107.08597	4.1
109.02883	6.9
109.06520	5.6
109.10149	6.9
111.08088	5.2
113.05927	1.6
115.07571	1.7
119.04956	3.5
119.08622	4.1
120.08152	1.6
121.06504	40.7
121.07328	2.7
121.10147	8.6
123.04428	2.8
123.08086	2.7
125.02377	2.7
125.06028	4.0
127.03925	4.2
129.05528	1.5
131.04929	16.8
131.08577	4.1
132.05710	1.9
133.06499	2.7
133.10100	7.0
135.04410	4.0
135.08099	3.6
137.06020	2.4
139.03914	4.2
139.07536	2.8
139.11137	2.3
140.07005	1.8
141.05429	2.3
147.04384	7.9
147.11696	4.6
149.05977	67.2
149.09584	1.8
151.03940	3.8
151.07542	4.0
151.11177	2.8
153.09116	4.1
159.04382	23.9
159.40584	1.5
163.07581	4.4
163.14786	3.0
165.05501	6.6
167.07025	10.9
173.13306	5.2
177.05458	64.5
177.06970	3.4
178.05739	2.1
179.07007	3.5
179.72980	1.5
181.08624	7.1
191.07007	25.7
191.14305	8.1
195.06523	48.9
199.09583	1.5
209.08081	74.3
209.11684	5.1
209.15378	24.2
210.08437	2.3
213.07570	4.4
216.06879	4.7
220.91974	1.5
227.09131	100.0
227.16451	6.1
228.09456	3.6
245.10199	71.7
263.11234	2.8
424.20306	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	424.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.05507	5.2
57.03423	0.9
60.04068	0.9
61.04892	1.0
67.05495	2.0
68.99791	2.6
69.03426	5.6
69.07059	2.0
69.21957	2.0
69.22363	3.4
71.05003	1.8
77.03903	1.3
79.05489	9.5
81.03423	6.5
81.07050	29.3
83.04973	3.0
83.08612	1.3
85.02905	5.7
87.00815	4.9
91.05477	8.2
93.07042	35.3
95.04967	6.1
95.08615	5.2
97.02893	2.8
97.06530	2.5
99.04430	3.5
101.02338	1.5
103.05457	6.6
105.04512	1.4
105.07024	4.2
107.04958	11.3
107.08566	3.4
109.02851	2.7
109.06532	5.8
109.10155	4.2
111.08083	8.7
115.05405	1.0
119.04961	1.8
119.08587	1.0
120.08099	1.4
121.06503	40.2
121.10120	4.3
123.04424	3.2
123.08087	1.4
125.05986	1.5
127.03906	4.9
130.01273	1.1
131.04933	4.8
131.08533	1.2
133.06482	2.8
133.10132	2.8
135.02878	1.3
135.08029	5.8
139.03932	1.5
139.07547	20.1
139.11189	3.1
145.05058	1.2
149.05975	26.6
151.07515	1.2
151.11180	2.3
153.09123	7.8
158.33487	1.1
159.04378	3.6
163.07533	19.9
163.14778	1.2
167.07034	28.5
177.05473	10.7
181.08607	10.3
191.07027	3.9
191.14285	3.0
195.06522	100.0
196.06772	2.2
199.09726	5.1
209.08041	14.0
209.15379	14.5
211.09686	1.4
213.07527	3.0
226.10733	3.6
227.09128	98.6
228.09474	3.7
239.93556	1.1
244.11819	3.0
245.10182	9.5
305.10184	3.3
335.11319	5.1
339.10559	3.4
359.97479	1.1
371.13403	10.6
424.20062	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35522	1.5
53.03960	1.7
55.01862	2.2
63.34947	1.5
64.83884	1.3
65.85278	1.5
69.03412	4.0
71.04993	10.7
71.25029	2.0
79.05495	2.9
80.08882	1.4
81.03424	7.3
81.07060	4.2
83.04967	2.4
85.02905	6.6
85.06560	3.8
91.05473	2.9
93.07037	8.9
95.04958	16.3
95.08632	2.0
95.38692	1.6
97.02875	4.8
99.00813	3.1
99.04453	2.2
103.05495	2.8
105.07042	4.8
107.04958	5.7
109.02901	12.0
109.06496	3.5
111.04455	4.0
119.08585	4.5
121.06506	10.8
123.04441	8.7
125.02344	4.4
125.05974	3.2
127.03922	7.1
131.03391	3.4
131.04941	1.7
133.06494	2.7
135.04448	2.1
136.74371	1.4
139.03889	60.5
141.05469	19.4
145.04962	1.6
146.71988	1.6
149.05971	37.2
150.06331	1.8
151.03928	6.7
151.07571	7.0
153.05492	4.3
153.09038	1.4
155.03406	17.2
157.04993	3.5
159.04361	2.2
165.05537	3.4
167.07018	18.4
177.05472	24.2
181.08586	16.6
181.10135	2.1
183.06534	23.8
183.51933	1.6
184.57190	1.5
191.07220	2.0
195.06525	73.1
209.08095	21.0
209.15479	2.7
227.09137	100.0
228.09468	3.2
371.13300	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	424.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14079	1.2
55.01865	1.7
55.05494	2.3
57.94434	1.2
58.52765	1.3
59.03651	1.2
67.05526	1.9
69.03432	3.4
69.34358	7.4
71.04991	10.6
79.05486	3.0
80.12684	1.2
81.03403	7.3
81.07066	4.9
81.63335	1.4
83.04973	3.0
83.08656	2.0
85.02905	8.3
85.06549	4.6
91.05500	4.9
93.07053	7.5
95.04967	15.2
95.08613	1.8
97.02892	6.1
97.06545	3.1
99.00825	2.1
99.04449	3.2
103.05479	2.7
105.07047	5.1
107.04965	5.2
107.08588	2.2
109.02891	13.1
109.06515	3.7
109.10113	2.2
109.35604	1.2
111.04459	3.0
117.21810	1.3
119.08589	3.1
121.06496	13.4
121.10142	2.6
123.04431	8.9
125.02395	4.2
125.06014	3.9
127.03929	5.5
128.84418	1.4
131.03394	4.6
131.04929	2.1
131.08499	1.4
133.06601	1.8
133.10103	2.4
139.03897	52.1
139.07567	2.6
139.11209	2.1
141.05464	21.4
149.05965	32.8
151.03938	5.3
151.07593	3.9
153.05511	3.8
153.09085	3.0
155.03389	13.9
157.05025	3.1
159.04367	2.6
163.07462	2.2
163.14896	1.9
165.05373	2.4
167.07037	16.8
167.14352	2.0
177.05478	19.1
181.08595	12.3
183.06528	18.4
185.65778	1.4
191.07077	3.2
191.14369	1.9
195.06528	75.2
196.06865	2.2
209.08105	21.9
209.11938	1.3
209.15399	17.1
227.09131	100.0
227.16425	3.1
228.09480	2.4
245.14003	1.8
368.21335	1.4
371.13351	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
55.05523	3.0
57.03439	4.6
61.02930	2.3
65.03957	1.0
67.05505	15.9
69.03436	7.9
69.07063	3.5
70.06606	1.6
73.02912	10.7
79.05483	5.2
80.94060	0.9
81.03411	1.8
81.07063	5.9
83.04980	2.0
85.02908	12.2
85.06551	1.8
87.04475	2.7
91.05471	3.4
93.07043	14.9
95.04357	1.3
95.04964	22.1
95.08609	23.3
96.08949	1.0
97.02882	9.8
97.06517	1.8
99.04448	2.3
101.06033	1.4
104.01244	0.9
105.07036	6.1
107.04927	1.2
107.08588	18.5
109.02871	1.1
109.06522	3.3
109.10187	1.1
109.54480	0.8
111.08131	1.6
113.09659	5.1
115.03940	8.5
116.07079	1.6
117.07034	2.0
119.08559	8.1
121.06527	4.3
121.10139	30.0
122.10429	1.4
123.08113	1.4
123.11747	1.0
125.09621	1.7
127.03919	2.7
127.07596	1.1
129.05492	1.5
131.08519	1.3
133.04968	5.0
133.10147	1.0
135.08072	4.2
135.11703	7.8
137.09631	1.4
145.04929	2.8
145.10115	9.2
146.10361	1.0
147.11739	2.4
149.09648	2.4
153.09140	3.5
163.11171	37.5
164.11467	2.1
166.03600	0.9
169.08684	1.3
173.09560	2.2
177.49374	0.9
181.12234	30.2
183.10190	2.7
185.20012	0.9
191.10663	10.4
209.11742	16.1
209.15388	1.6
227.12776	100.0
227.16460	2.9
228.13235	4.5
245.14009	1.8
259.08133	1.0
262.10864	1.2
270.14996	2.5
280.83932	0.8
353.16235	1.1
425.18045	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09480	1.1
55.05252	2.2
55.05509	20.7
56.05858	1.5
57.07066	1.8
57.87919	1.0
59.04999	1.8
67.05499	3.4
68.85791	1.2
69.03432	3.1
69.07066	4.9
69.50853	4.4
71.04989	2.3
78.29751	1.3
79.05491	3.4
81.07059	5.4
83.04984	8.1
83.08624	13.6
85.02909	2.9
85.06561	3.2
91.05475	2.7
93.07040	12.9
95.04951	11.1
95.08614	4.7
97.06529	4.7
97.10178	3.6
99.04472	3.3
104.02681	1.3
105.07035	4.0
107.08593	20.3
109.06523	5.1
109.10138	8.5
110.77657	1.2
111.08083	4.2
115.07581	9.0
119.08577	3.9
121.10146	49.7
122.08652	1.1
122.10541	1.8
123.07999	1.2
123.11719	2.5
125.09670	4.5
126.58368	1.2
131.08586	2.2
133.10129	8.9
135.08034	2.2
135.11703	3.4
145.10120	1.2
147.11702	3.1
149.13281	4.4
151.11176	17.9
153.09100	5.9
163.14807	13.8
167.14319	20.0
173.13249	7.3
175.14883	2.5
191.14322	14.0
195.06554	2.4
209.08020	2.1
209.15372	100.0
210.15733	5.4
227.16423	11.5
398.56409	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67195	6.4
55.05516	11.1
61.27614	5.3
67.05509	12.7
69.03440	9.4
69.07056	11.8
69.53885	25.7
71.05002	6.6
72.08148	12.1
77.32358	5.5
79.05491	29.8
81.03413	13.4
81.07042	19.1
83.04979	7.4
83.08607	7.2
84.04498	10.0
84.08129	12.2
85.02910	28.1
85.06553	9.4
91.05504	11.0
93.07050	27.6
95.04962	100.0
95.08618	9.0
95.34425	5.6
95.97934	6.6
97.02898	14.5
97.06533	12.2
97.82400	5.9
98.23434	14.4
99.04446	7.8
105.07017	15.7
107.04954	31.4
107.08581	34.7
109.02913	9.7
109.06528	21.1
119.08601	13.2
120.08112	7.2
120.79358	5.1
121.06496	9.0
121.10135	83.9
122.10470	5.6
124.07617	7.4
131.08571	8.6
133.10133	28.7
135.04417	9.8
137.06007	6.4
145.10052	7.4
146.06003	13.2
147.11702	17.6
151.03914	6.1
151.11136	7.5
153.05507	33.7
153.09126	22.4
163.14833	14.0
165.05472	8.3
167.06990	30.9
173.13321	11.5
173.60762	6.1
178.08609	16.5
180.05721	6.0
190.05223	6.1
191.14267	31.3
195.06541	62.9
196.09705	27.5
209.08095	38.3
209.11668	7.0
209.15373	77.0
227.09132	26.1
227.12779	8.8
227.16415	90.0
279.13577	6.8
314.32941	6.6
364.18539	12.7
424.20923	32.0
425.14029	43.6
425.19217	23.4
431.82147	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	424.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02405	3.0
55.01859	3.8
55.05505	8.0
56.05047	3.2
57.03413	3.6
62.01836	3.3
67.05505	11.6
69.03432	6.4
69.07074	6.4
70.53509	3.0
70.58607	6.2
71.04981	5.8
72.08149	6.6
74.74759	3.5
79.05496	25.4
81.03418	7.7
81.07053	16.6
83.04991	7.1
83.08604	3.6
84.04502	11.7
84.08144	14.4
85.02901	18.8
85.06545	9.9
91.05498	12.5
93.07044	22.0
95.04965	45.8
95.08614	8.3
96.05350	3.4
97.02892	7.9
97.06513	7.2
98.60920	3.5
99.04466	5.9
99.08109	3.7
102.05562	4.0
105.07025	11.3
107.04958	49.4
107.08607	14.0
109.02875	7.1
109.06495	22.7
109.10146	8.6
111.08070	3.6
118.06584	3.2
119.08595	12.7
120.08131	6.3
121.06546	7.2
121.10146	42.9
121.36475	3.2
123.08061	4.5
124.07599	4.5
125.05894	2.9
125.09587	4.3
127.03850	3.8
131.08598	4.6
133.10152	15.9
135.04416	14.7
136.07597	5.4
137.06026	6.0
146.06035	16.2
147.11708	6.2
149.06068	4.6
149.07349	5.6
149.09616	6.3
153.05476	48.4
153.09138	9.5
160.07596	6.2
163.03893	6.1
163.11189	4.7
163.14853	10.7
164.07150	4.4
165.05475	10.5
167.07027	52.2
173.13220	8.3
177.05504	9.0
178.08647	20.0
181.08632	4.0
191.14311	16.4
195.06509	96.4
196.09708	35.9
199.87579	3.2
209.08080	53.9
209.11737	11.1
209.15417	45.1
227.09131	30.2
227.12830	10.1
227.16411	40.2
245.13934	6.1
261.16113	6.5
294.12091	8.0
321.18240	6.7
364.18491	11.0
424.20654	35.3
425.14117	100.0
425.19186	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
55.05511	5.3
57.07084	1.0
59.62029	0.8
60.04514	0.9
61.83441	0.9
62.09797	0.9
63.77787	0.9
67.05486	1.9
67.69118	0.9
69.03416	1.7
69.07072	10.0
69.45261	3.9
71.04996	1.2
71.08634	11.4
72.08141	1.1
74.95117	0.9
79.05491	0.9
81.07065	6.4
83.08633	6.4
85.02916	4.7
85.06538	7.9
85.29148	0.8
91.05481	4.4
93.07047	3.1
95.04993	1.0
95.08624	4.5
97.06487	1.0
98.23402	2.2
99.08098	10.4
100.11272	0.9
104.81356	0.7
105.07030	1.9
107.08602	1.6
108.08132	1.2
109.06532	1.4
109.10170	0.9
111.08083	67.3
112.08393	2.2
119.08604	1.9
121.06512	1.2
121.10186	1.3
123.11699	2.9
129.09138	1.3
137.05991	1.0
147.11681	2.0
155.14305	90.1
156.14658	2.4
164.07048	2.8
165.12733	3.3
167.07024	1.1
183.13808	100.0
184.14122	3.4
199.31163	1.0
201.14854	48.1
202.15170	1.5
209.15500	1.6
217.71725	1.2
227.16379	4.3
245.17601	5.7
256.31937	1.0
334.05273	1.0
365.17111	3.0
424.19724	1.4
425.21121	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	424.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	15.2
57.06820	5.3
57.07081	30.4
67.05515	26.1
69.07056	21.3
71.05015	4.7
71.08630	23.1
71.43526	6.1
78.65337	5.0
79.05497	41.6
80.20885	5.6
81.07059	37.0
83.08601	6.8
85.10163	6.3
89.06030	100.0
91.05498	16.4
93.07047	45.5
95.08603	25.2
97.06544	9.9
97.10112	6.5
100.95110	5.5
105.07019	20.4
107.08621	33.4
108.08936	7.6
109.06512	5.9
109.10134	19.1
118.93552	5.2
119.08567	16.2
121.10152	27.8
123.11700	7.7
133.08614	52.9
133.10143	13.6
134.62798	5.6
135.11684	23.8
147.11554	6.3
149.13234	8.2
157.20984	5.1
163.14899	6.3
165.04053	5.4
165.09085	8.9
174.13747	5.9
175.14894	5.4
177.11295	8.7
192.14825	5.4
218.16312	5.9
239.14922	57.8
277.21677	40.7
407.33618	23.1
424.31427	13.4
424.36798	12.2
425.21353	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	424.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	18.9
57.07069	8.4
61.40824	3.2
67.05511	25.1
69.07069	17.0
69.21806	2.8
69.43113	14.4
71.08634	5.9
79.05494	60.0
81.07053	42.7
81.90604	2.8
83.08604	8.3
83.20242	3.1
89.06039	8.0
91.05476	19.0
93.07040	80.5
95.04997	4.3
95.08610	26.7
97.10197	4.6
105.07023	15.4
107.08600	39.6
109.06522	3.8
109.10170	17.7
113.05991	7.3
117.06972	4.3
119.08601	15.4
121.10152	39.3
123.08070	10.6
123.11751	6.9
124.08398	6.6
133.08623	7.9
133.10129	13.0
135.11700	34.7
145.10143	4.9
147.11681	6.9
149.09570	4.0
149.13254	12.9
158.09224	3.3
159.11703	3.6
163.14760	5.3
179.14319	10.0
180.14673	8.4
239.14836	5.5
241.19620	4.6
259.20630	4.5
263.80011	2.9
277.21622	100.0
277.24493	7.1
278.22086	6.7
310.96719	3.1
332.26648	8.8
365.82724	3.0
424.31183	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	425.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69662	0.4
52.41677	0.5
61.11758	0.6
64.25559	0.5
69.73917	1.8
82.99813	2.7
94.99853	0.6
97.02862	0.8
98.23408	0.7
101.00879	18.6
102.00970	0.5
109.02917	0.5
113.00863	4.6
115.02453	0.7
119.01086	1.0
119.01919	15.3
127.02438	3.6
129.03986	0.8
131.01897	7.4
133.03453	0.7
137.00786	0.7
137.02934	1.1
139.02396	1.9
143.01894	37.0
144.02022	1.5
145.03459	8.3
147.01353	1.2
149.02954	0.8
153.03960	0.9
155.01886	17.2
156.02040	0.7
157.03464	5.6
161.02954	41.3
162.03120	1.8
163.04428	0.8
167.01888	12.6
169.03461	3.2
171.04990	1.9
173.02953	16.8
174.02989	0.8
175.04514	1.3
179.01897	5.0
181.03496	0.6
184.04546	1.0
185.02954	31.3
186.03142	1.6
187.04533	2.9
191.04015	4.0
197.02965	13.1
198.03101	0.9
199.04515	0.6
203.04008	13.8
204.04124	0.9
209.02934	1.3
215.04004	6.8
221.05064	1.3
227.03978	9.0
239.03931	1.2
245.05058	100.0
246.05225	6.0
257.05026	5.6
263.06122	27.0
263.08942	1.2
264.06369	2.5
275.06100	14.6
276.06369	1.1
293.07114	3.8
305.07181	11.9
306.07217	1.5
335.08282	4.2
342.75397	0.5
347.08115	0.9
365.09274	8.7
374.62735	0.5
425.11337	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1416
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
56.85453	0.3
57.56507	0.3
63.66818	0.4
69.07074	0.4
69.17546	2.2
87.90152	0.4
91.05493	0.6
95.04967	1.5
121.10134	0.5
155.19131	0.4
166.08687	0.4
167.14313	0.7
209.15359	2.5
210.11334	1.2
210.15695	1.3
214.34714	0.3
250.77998	0.4
259.74368	0.4
267.41388	0.4
293.09976	1.2
307.46646	0.4
307.69193	0.4
397.04956	0.5
425.14163	100.0
426.14481	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02327	6.2
63.46591	5.3
69.07058	14.5
71.45308	8.0
81.07037	14.9
88.73558	5.5
93.07026	11.5
95.08591	10.2
109.55904	6.3
118.75783	7.3
119.08588	5.6
127.23258	6.1
129.55122	6.0
149.09668	5.9
153.01845	9.3
165.09064	6.3
177.79605	5.6
223.90335	6.3
259.32846	7.0
342.96112	7.0
425.22961	100.0
426.22891	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53233	1.8
63.00524	1.8
67.18391	1.8
69.64557	9.5
80.91698	1.9
212.91617	2.2
350.53693	2.4
425.22992	100.0
426.23212	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	425.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	4.2
73.53688	2.2
82.89704	2.3
93.07044	3.6
109.10146	2.7
114.02122	2.2
121.06551	2.6
129.12880	1.9
135.49881	2.4
141.18098	2.0
160.76572	2.4
172.92819	2.1
197.63252	3.1
204.26843	2.3
295.15244	3.3
337.14053	100.0
338.14502	6.3
340.19287	3.5
341.02240	2.4
447.11148	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	425.251
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05524	1.5
69.72919	4.9
79.20863	1.5
81.07049	2.4
93.07073	1.9
107.08607	2.1
121.10109	1.7
126.02906	5.7
127.54712	1.6
139.03676	7.4
179.10544	2.0
193.55200	1.9
207.09892	2.5
224.13924	2.4
251.12645	8.4
257.81070	1.8
298.23615	1.8
307.15140	2.4
309.16626	6.2
330.14551	1.9
391.24518	100.0
392.24863	4.9
407.24039	58.2
408.24371	3.5
425.22894	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	425.251
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05524	1.5
69.72919	4.9
79.20863	1.5
81.07049	2.4
93.07073	1.9
107.08607	2.1
121.10109	1.7
126.02906	5.7
127.54712	1.6
139.03676	7.4
179.10544	2.0
193.55200	1.9
207.09892	2.5
224.13924	2.4
251.12645	8.4
257.81070	1.8
298.23615	1.8
307.15140	2.4
309.16626	6.2
330.14551	1.9
391.24518	100.0
392.24863	4.9
407.24039	58.2
408.24371	3.5
425.22894	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	425.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46788	0.3
59.88435	0.3
67.05497	0.4
68.53944	0.3
69.07076	0.3
70.76618	0.5
81.07071	0.5
85.02937	0.5
91.05510	0.6
92.32371	0.3
93.07076	0.7
95.08624	0.6
98.98466	0.3
105.07049	0.5
107.08565	0.6
109.10201	0.4
119.08569	0.4
120.08154	0.4
121.10078	0.5
122.15958	0.3
125.09576	0.4
145.10152	0.4
167.07097	0.8
184.14163	0.4
201.14836	0.5
202.15240	0.5
231.08295	0.5
267.35532	0.4
381.15335	0.4
425.25107	100.0
426.25409	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	425.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59507	1.0
56.96558	3.4
59.74794	1.0
67.05499	2.5
69.07057	2.5
69.60177	2.7
69.60560	3.0
79.05508	1.4
81.07066	3.1
86.09731	1.4
91.05481	1.2
93.07043	3.4
95.08600	3.1
95.15038	1.0
96.01878	3.7
97.02663	5.9
97.08135	1.1
98.23495	1.4
101.96979	1.0
105.07013	1.3
107.08592	2.0
109.10139	1.3
113.02144	2.3
119.08535	2.0
126.02895	3.3
139.03670	4.7
148.00948	1.1
153.01576	9.4
156.03954	10.2
169.04736	8.9
172.82443	1.1
179.10435	1.7
183.06393	1.5
195.13898	2.5
207.09889	1.4
211.09389	1.9
213.14917	1.7
219.13516	1.9
224.13776	1.6
225.11005	2.8
229.07596	2.0
240.13310	2.7
251.12596	7.1
265.41174	1.2
269.13632	9.4
283.17212	1.6
284.17249	1.9
295.15158	100.0
296.15436	4.9
307.15176	1.5
309.16800	2.2
329.02127	1.4
337.16235	24.5
337.20157	2.0
338.16403	1.3
340.23593	2.9
391.24780	6.1
407.24011	18.1
408.24564	7.4
425.15411	18.4
425.25092	59.6
426.15179	1.8
426.25464	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	425.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07474	1.3
53.29269	1.4
57.07079	3.6
60.04823	1.6
64.00146	1.4
67.05502	2.7
69.07076	1.3
70.00577	2.4
79.01608	2.8
79.05481	2.4
81.07066	3.1
83.01109	4.6
86.09698	11.9
87.10022	1.6
93.07061	2.0
95.08595	1.9
96.01871	54.3
97.02654	23.0
98.22803	1.7
105.07042	4.7
107.08594	2.8
113.02135	7.4
119.08573	5.9
121.10152	10.7
121.82974	1.4
122.10496	2.6
133.10176	4.7
139.03696	3.1
147.11664	10.5
148.12044	3.9
153.05226	2.6
156.03920	23.1
165.08954	2.0
165.90388	1.3
169.04727	21.8
175.11182	5.6
176.11444	2.9
183.06300	2.3
188.02933	6.2
191.10506	5.8
197.07858	1.6
211.09399	2.8
223.13086	6.5
225.10966	3.5
239.12485	1.8
240.13348	15.5
255.12091	4.7
269.13550	15.8
275.20139	1.8
283.17050	20.7
284.17273	35.8
295.15158	52.6
309.16595	1.6
319.15549	1.6
337.16202	66.2
339.23151	10.8
340.23508	37.2
340.27585	2.4
353.19254	2.9
380.75925	1.4
391.24588	5.5
407.24069	8.9
408.24771	3.9
425.25113	100.0
426.25601	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	425.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	1.2
53.03935	3.1
54.50992	1.1
55.01870	4.3
55.05511	24.2
56.17194	1.3
57.03426	4.2
57.07074	8.0
61.02934	1.2
61.59443	1.0
63.77475	1.1
65.03937	3.7
67.05502	88.5
69.03432	10.9
69.07066	27.7
70.01069	1.2
71.04974	4.0
71.08624	3.0
73.02911	1.8
79.05485	28.8
81.03423	10.0
81.07053	100.0
82.07388	1.6
83.04964	6.4
83.08176	2.0
83.08624	17.2
85.02900	17.8
85.06532	3.6
91.05469	21.0
93.07047	37.0
95.04984	5.7
95.08601	75.6
96.08954	1.2
97.02893	15.2
97.06516	6.5
97.10185	7.0
99.04451	5.5
99.08079	5.0
105.07034	17.3
106.07343	1.2
107.08590	19.5
109.02878	4.7
109.06478	2.5
109.10156	33.6
110.10490	1.3
111.04457	2.8
111.08097	3.9
111.11707	1.4
113.09676	1.8
117.07019	3.8
119.08572	14.9
121.06486	2.8
121.10136	19.0
123.08058	3.3
123.11706	17.8
125.09614	1.8
127.03888	10.9
129.05490	3.6
129.07002	2.7
131.08580	9.1
133.06490	1.7
133.10127	13.6
135.11668	10.1
137.13237	7.8
139.11195	2.7
143.08635	2.3
145.04955	4.2
145.06488	1.8
145.10129	5.3
147.08083	2.1
147.11684	12.9
149.13269	9.7
151.11162	2.0
151.14769	3.9
155.08490	1.9
157.10129	2.8
159.11664	3.5
161.13237	9.2
163.11220	1.8
163.14818	7.8
171.11777	1.5
173.13292	3.4
175.11244	1.6
175.14796	6.8
177.16386	3.4
179.14351	2.1
181.12332	1.5
187.14828	3.1
189.16393	4.2
193.15884	1.8
201.16444	2.2
203.17949	1.8
207.17419	2.6
213.16365	1.9
243.21120	3.1
245.22610	12.4
249.97586	1.2
261.22125	7.0
263.23697	36.2
264.24161	2.2
279.23337	1.4
291.19611	1.5
291.23157	2.5
305.24789	1.7
317.24677	4.0
319.26318	1.6
329.24814	3.1
341.30444	1.3
343.26053	1.7
347.25528	3.9
353.24838	1.7
371.25879	5.5
389.26797	3.6
407.27927	3.0
425.31891	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.305
Annotation	Norselic acid C
Peak:m/z	Relative Intensity
51.02374	1.0
51.23347	1.0
55.05505	4.3
55.56890	1.0
57.07058	1.0
66.84070	0.9
67.05502	8.8
69.03427	1.1
69.07069	6.4
69.49859	4.2
79.05490	9.7
81.07054	35.1
83.08626	4.2
91.05470	11.0
93.07043	21.0
95.04991	3.0
95.08605	23.8
97.06544	1.3
97.10181	1.5
98.23444	2.4
103.05466	1.3
105.07030	24.3
107.04948	1.2
107.08596	28.9
109.06517	7.7
109.10159	9.8
111.08097	2.6
117.07033	5.6
119.08578	36.5
120.08897	1.9
121.06506	3.9
121.10143	20.4
123.08087	4.9
123.11731	3.6
129.06999	2.5
131.08562	13.9
133.06497	2.8
133.10127	20.1
135.08073	5.8
135.11685	9.1
137.09593	2.8
142.07813	1.9
143.08548	10.8
145.10130	20.0
147.08080	3.7
147.11691	18.3
149.09650	3.7
149.13297	6.6
151.11133	1.2
153.29326	1.1
155.08606	2.9
156.09377	2.1
157.10098	8.8
157.29172	1.0
158.10896	1.2
159.08075	1.3
159.11703	16.9
161.09630	4.3
161.13246	11.7
163.11166	3.0
163.14821	4.5
165.08992	1.2
168.09302	1.4
169.10139	4.5
171.11688	7.2
173.09622	4.3
173.13228	6.1
175.11235	5.4
175.14804	16.0
177.12787	3.1
177.16371	8.1
179.08540	1.3
183.11671	6.6
185.09477	1.4
185.13240	10.2
187.11189	3.2
187.14799	11.3
189.12741	7.3
189.16389	3.6
191.14499	1.3
193.10170	2.4
194.10875	1.7
195.11703	2.4
197.13264	3.3
199.11218	1.4
199.14922	2.1
201.12749	4.3
201.16373	3.0
203.14299	17.8
203.18031	1.6
205.15875	21.7
206.10986	1.1
206.16298	1.3
207.11699	1.7
209.13266	3.4
211.11195	2.3
211.14857	3.0
213.12813	3.4
213.16325	4.2
215.14349	2.0
215.17950	2.3
217.15892	1.8
219.17404	1.5
221.13268	2.0
223.14795	2.6
225.16370	1.9
227.14386	3.0
227.17764	2.3
229.15903	3.0
229.19415	1.3
231.17451	3.6
235.13144	9.4
237.16420	2.1
239.14294	1.3
239.18010	3.6
241.15872	2.2
241.19513	3.0
243.17487	2.0
245.19058	1.6
249.16458	2.1
251.17984	2.0
253.15781	1.3
253.19571	1.7
257.19022	3.7
259.20291	1.7
265.19568	1.5
267.17435	2.8
269.18954	2.3
275.17844	1.1
277.19232	1.2
279.21378	1.4
281.19263	2.6
281.22632	2.8
282.23257	1.1
283.20621	3.4
293.18906	2.2
295.20676	1.4
297.22156	3.0
298.23071	1.7
299.23697	3.2
309.21954	1.5
311.20004	1.3
319.20374	1.7
331.23978	1.4
334.26309	1.2
335.27316	1.7
337.21814	1.5
351.26846	2.7
361.28839	3.9
363.26840	11.0
365.28479	1.4
371.27234	2.6
379.26620	1.4
379.30038	21.1
380.30478	1.5
381.27823	10.4
389.28360	33.2
390.28726	3.2
407.29449	76.0
408.29819	7.0
425.25900	4.0
425.30502	100.0
426.31021	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	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
52.18023	1.6
53.03947	2.9
55.05514	20.9
57.07075	9.6
65.03942	2.1
67.05502	27.4
69.03440	1.6
69.07069	42.5
70.82983	1.9
70.83326	1.4
71.05011	8.4
71.08628	3.1
79.05493	18.7
81.07056	71.6
83.08624	17.9
85.06527	4.1
88.58651	1.7
91.05486	16.7
93.07047	52.8
93.07608	3.2
95.05009	2.8
95.08606	71.8
96.08952	1.7
97.06538	3.4
97.10178	12.1
99.08115	2.7
102.32504	1.7
105.07027	30.2
107.08591	67.7
109.06536	2.9
109.10159	76.9
111.08124	2.8
111.11768	4.6
117.07036	3.4
119.08575	43.1
121.10143	53.0
123.11703	35.7
125.09643	2.0
127.11166	12.4
131.08571	12.4
133.10129	32.8
135.11694	51.9
137.13252	17.4
141.12726	1.9
143.08632	2.7
145.10123	13.0
147.11682	35.3
149.13263	39.0
151.14816	3.6
153.12794	2.9
157.10086	2.8
158.10902	1.8
159.11682	21.7
161.13257	24.6
163.14792	16.7
163.15785	1.6
165.12810	2.1
171.11749	3.8
173.13248	15.3
175.14806	20.5
177.16383	16.5
179.14355	3.0
185.13283	2.6
187.14803	14.0
189.16385	19.5
190.44281	1.7
191.17899	9.7
195.17503	8.2
199.14903	4.0
201.16400	10.8
203.17986	16.5
205.19530	2.9
207.17496	2.5
213.16446	5.5
215.17957	11.9
217.19493	15.8
227.17973	5.1
229.19501	15.6
231.21033	17.6
243.21138	3.6
245.22589	4.2
247.20697	2.9
255.21027	2.7
257.22653	9.0
259.24298	6.5
269.22662	2.5
271.24344	7.9
283.24194	3.6
285.25833	12.1
339.30530	2.9
343.30087	6.7
369.31415	2.8
373.33124	1.9
407.36871	13.5
425.37842	100.0
426.33124	2.1
426.37820	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	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03935	2.6
55.05507	16.1
57.07071	5.3
61.23850	1.4
65.03938	1.6
67.05507	31.6
68.54193	1.4
68.68655	1.4
69.07067	46.2
69.11441	9.3
71.04993	7.6
79.05490	20.3
80.46293	1.5
81.07055	100.0
82.07385	2.7
83.08614	14.7
83.77844	1.3
85.06536	2.1
87.48394	1.5
91.05485	13.3
93.07042	44.5
95.04963	4.2
95.08603	82.7
97.10161	8.7
99.08091	2.6
105.07026	36.0
107.07846	2.2
107.08588	62.6
109.10153	74.3
111.11710	2.6
117.06999	2.8
119.08575	41.2
121.10142	59.1
123.11703	36.7
127.11181	13.1
131.08553	8.7
133.10126	29.3
135.11696	42.0
136.11838	1.5
137.13272	11.6
140.75035	1.5
143.08466	2.3
145.10127	16.6
147.11673	30.2
149.13254	29.0
151.14810	2.0
153.12701	2.8
157.10144	4.4
158.10890	1.7
159.11685	19.7
161.13246	24.2
163.14809	16.4
167.14215	2.4
171.11697	3.6
173.13252	16.1
175.14821	19.1
175.70662	1.4
177.16393	16.3
185.13310	2.5
187.14778	13.7
189.16357	17.0
191.17897	12.0
194.43945	1.4
195.17441	5.0
199.14867	3.5
201.16330	9.0
203.17967	12.7
213.16347	5.4
215.17908	11.1
217.19498	11.5
227.17911	2.8
229.19482	14.7
231.21092	8.4
233.19031	1.7
238.41986	1.6
241.19427	1.4
243.21103	2.1
245.22687	1.9
247.20761	1.5
257.22696	5.3
259.24243	5.3
271.24173	4.4
281.22296	1.6
283.24310	4.5
285.25726	7.0
325.28708	2.0
339.30444	2.7
343.30045	3.6
369.31369	1.9
383.33151	2.1
407.36707	11.9
425.37756	59.1
426.38071	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	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05515	8.0
57.07061	5.2
67.05502	31.0
69.07072	15.0
69.22572	9.1
71.08647	2.3
76.06120	1.7
79.05486	7.9
81.07062	23.3
83.08618	6.4
91.05491	5.8
93.07049	15.5
95.04952	1.9
95.08604	34.0
97.10149	2.4
98.22719	3.6
105.07023	16.0
107.08601	24.8
109.10155	100.0
110.10500	3.5
111.08057	2.0
119.08595	15.1
121.10146	17.1
123.11703	10.0
131.08585	3.3
133.10104	9.3
135.11696	14.2
137.13264	5.8
142.89394	1.6
145.10132	4.5
147.11688	11.9
149.13240	6.9
152.37460	1.6
157.10161	2.2
159.11682	5.2
161.13260	11.5
163.14821	5.6
171.08319	1.8
173.13312	2.3
175.14813	4.5
177.16370	6.3
187.14758	2.5
189.16342	4.6
191.17964	8.1
201.16466	3.2
202.97720	1.6
203.17941	7.7
215.18018	4.2
217.19467	9.2
229.19447	3.3
245.22678	2.3
250.02731	2.0
257.22739	2.7
308.84445	1.7
407.36621	5.2
425.33072	2.4
425.37973	27.8
425.43530	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06949	0.3
53.03939	0.7
53.41511	0.3
55.01853	0.3
55.05508	0.5
55.47208	0.3
57.03435	0.7
57.07074	16.4
58.07396	0.4
59.38044	0.3
64.20152	0.3
69.03428	3.5
69.07060	0.3
69.93355	0.4
69.93678	0.8
70.06588	1.7
71.04983	1.7
73.02911	0.6
75.82965	0.3
78.03453	0.5
78.63334	0.3
79.04209	0.5
81.03416	5.0
81.07056	0.6
83.34673	0.3
83.74565	0.3
84.74352	0.3
85.02901	2.8
85.06542	14.7
88.07615	1.0
91.00784	0.3
95.04954	0.7
95.08608	0.3
95.31182	0.3
96.04496	1.8
97.02889	10.3
97.10148	0.7
98.23379	0.4
99.04426	0.8
105.07024	0.5
107.04885	0.4
108.04464	0.5
109.02875	4.2
109.06501	0.4
115.03906	0.6
116.07079	0.5
120.08140	0.3
121.02880	1.3
123.11703	0.4
124.03964	0.3
127.03906	5.9
130.08649	3.3
133.04944	0.4
138.05495	100.0
139.03941	0.3
139.05840	2.1
145.04919	0.7
146.10036	0.3
147.11650	0.6
153.05426	0.7
158.08037	0.3
163.05939	0.3
165.12701	0.6
173.06003	0.9
176.09163	3.3
177.64217	0.4
181.04956	0.6
187.06030	4.7
225.09113	0.4
229.10657	2.1
229.14304	1.5
233.07976	0.3
271.11847	0.7
289.12692	0.4
306.99127	0.3
388.28348	0.4
427.19418	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
55.01854	3.5
55.05511	40.1
57.03437	42.3
57.07061	2.0
59.04992	4.4
61.02935	13.5
65.63612	1.8
66.36696	2.1
67.05513	2.8
69.03427	62.8
69.03802	3.5
69.07066	16.4
69.25273	3.1
69.25670	6.0
71.01344	2.8
71.04991	2.8
73.02917	75.7
79.05505	2.3
81.03415	8.6
81.07060	3.5
83.04976	2.3
85.02903	69.0
85.03418	3.9
85.06539	2.4
87.04475	26.1
91.03979	2.3
93.07030	5.9
95.04961	3.3
95.08598	10.9
97.02888	70.8
97.10169	100.0
99.04434	4.2
103.03942	2.6
107.08585	4.5
109.02882	3.2
109.10139	5.0
111.04426	2.9
113.09631	3.8
115.03929	83.4
115.07410	1.8
115.11206	88.5
117.07050	2.2
119.08542	3.2
121.06573	1.7
121.10147	6.7
125.09656	3.4
127.03933	18.9
131.23593	2.2
133.04965	57.9
137.09644	2.3
138.05467	5.8
145.04974	14.7
150.07632	14.1
154.07616	1.8
163.06029	7.0
181.12170	2.5
183.46278	1.9
193.12251	5.7
198.36603	2.1
211.13297	6.1
220.50890	1.7
223.06055	7.3
223.13293	7.5
229.14340	6.0
241.07019	7.4
241.14368	7.1
247.13043	3.3
247.15346	4.2
259.08054	9.4
259.15564	2.8
277.16415	4.6
295.10257	5.5
427.19366	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	52.9
56.68068	2.7
57.03437	34.6
57.07076	12.4
59.05001	2.6
61.02921	14.8
67.05505	5.0
69.03431	74.4
69.07073	6.5
70.06589	2.5
71.01364	3.7
71.45682	2.2
73.02917	55.8
74.02474	2.1
79.05481	5.1
80.14845	2.4
81.03416	10.9
81.07060	4.9
83.04976	4.0
85.02904	100.0
85.06549	14.1
87.04465	26.9
91.05475	3.9
93.07062	4.2
95.04935	4.4
95.08611	3.8
97.02894	86.0
97.06548	3.2
97.10168	97.2
99.04466	4.6
105.07042	2.8
107.04987	3.1
107.08582	2.8
109.02902	9.3
109.10164	6.0
111.04462	3.1
115.03930	86.2
123.04454	5.0
127.03907	32.9
130.08690	7.6
133.04968	69.9
133.10127	2.9
137.09619	2.4
138.05496	63.7
139.11194	3.3
139.41153	2.0
140.59901	2.1
145.04959	49.6
147.04462	2.2
150.07628	11.0
151.03943	5.7
161.06038	2.4
163.06015	27.5
163.11250	3.2
167.07008	2.9
167.28271	2.0
169.04950	2.8
169.35184	2.3
173.05931	2.2
175.06113	2.2
176.09103	4.0
181.04990	2.7
187.06064	4.3
193.12349	2.6
214.09492	2.7
223.13362	3.4
229.10741	2.2
229.14229	2.4
241.07071	7.3
241.14471	2.4
259.08157	6.2
259.15280	2.4
265.14209	4.3
277.09293	3.1
295.10217	4.2
317.76968	2.5
353.14816	2.6
426.21826	5.1
427.13654	3.3
427.19186	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	426.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01875	4.5
55.05510	32.1
55.34092	1.4
57.03437	43.5
57.07070	2.9
59.04996	3.9
61.02939	10.1
63.99422	1.4
67.05509	3.7
69.03426	59.3
69.07066	16.7
71.01357	3.7
71.04996	2.9
73.02917	64.5
78.72090	1.6
81.03425	6.1
81.07066	2.3
83.08641	2.6
85.02901	63.7
85.03421	3.3
87.04466	28.4
91.03973	2.2
91.05471	3.8
93.07008	7.6
95.04976	3.6
95.08598	10.7
97.02890	70.8
97.06558	1.9
97.10167	100.0
99.04481	4.3
103.03954	2.7
105.07034	2.8
107.08606	5.8
109.02891	5.2
109.10159	6.1
111.08080	2.3
115.03925	73.5
115.11204	92.0
116.11545	2.5
119.08578	2.5
121.10161	5.3
123.04442	4.8
125.09653	2.8
127.03908	18.0
127.11229	2.5
131.08588	1.9
132.06589	2.1
133.04962	51.3
137.09618	1.8
138.05522	6.9
139.11099	3.8
141.05495	2.2
145.04956	20.7
147.11717	1.6
150.07608	14.9
150.13609	1.5
153.09071	1.5
155.10669	2.2
163.06059	6.1
163.11191	2.6
165.09123	3.0
175.11211	2.2
181.12248	3.2
183.10153	3.0
193.12221	4.4
211.13329	6.4
223.06044	4.9
223.13304	6.2
229.14340	5.9
241.07079	8.0
241.14386	7.2
247.13104	3.5
247.15359	2.9
259.08020	8.1
259.15408	1.9
277.16510	7.1
295.10214	7.1
426.22806	2.7
427.19412	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	52.9
56.68068	2.7
57.03437	34.6
57.07076	12.4
59.05001	2.6
61.02921	14.8
67.05505	5.0
69.03431	74.4
69.07073	6.5
70.06589	2.5
71.01364	3.7
71.45682	2.2
73.02917	55.8
74.02474	2.1
79.05481	5.1
80.14845	2.4
81.03416	10.9
81.07060	4.9
83.04976	4.0
85.02904	100.0
85.06549	14.1
87.04465	26.9
91.05475	3.9
93.07062	4.2
95.04935	4.4
95.08611	3.8
97.02894	86.0
97.06548	3.2
97.10168	97.2
99.04466	4.6
105.07042	2.8
107.04987	3.1
107.08582	2.8
109.02902	9.3
109.10164	6.0
111.04462	3.1
115.03930	86.2
123.04454	5.0
127.03907	32.9
130.08690	7.6
133.04968	69.9
133.10127	2.9
137.09619	2.4
138.05496	63.7
139.11194	3.3
139.41153	2.0
140.59901	2.1
145.04959	49.6
147.04462	2.2
150.07628	11.0
151.03943	5.7
161.06038	2.4
163.06015	27.5
163.11250	3.2
167.07008	2.9
167.28271	2.0
169.04950	2.8
169.35184	2.3
173.05931	2.2
175.06113	2.2
176.09103	4.0
181.04990	2.7
187.06064	4.3
193.12349	2.6
214.09492	2.7
223.13362	3.4
229.10741	2.2
229.14229	2.4
241.07071	7.3
241.14471	2.4
259.08157	6.2
259.15280	2.4
265.14209	4.3
277.09293	3.1
295.10217	4.2
317.76968	2.5
353.14816	2.6
426.21826	5.1
427.13654	3.3
427.19186	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	426.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09158	6.4
54.45128	6.2
55.05525	9.0
61.11824	6.4
67.05227	5.8
67.05515	78.8
69.07063	21.3
69.69912	23.9
79.05481	19.8
81.07061	100.0
83.08604	18.7
84.49087	7.2
89.05975	7.6
91.05495	11.7
93.07037	23.6
95.08624	66.0
98.23386	12.9
98.98525	8.0
105.07026	11.3
106.61591	6.6
107.08578	23.0
109.10145	22.7
119.08582	13.4
121.10141	20.8
123.11735	14.2
133.10144	11.4
135.11682	18.5
137.13210	11.8
184.66299	8.5
277.21649	12.2
279.23239	55.4
344.98651	9.4
366.19687	12.4
424.91345	8.8
426.21814	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51551	3.5
53.03939	4.5
55.05523	30.8
65.16666	3.9
67.05505	61.6
69.03441	3.4
69.07073	26.6
69.24041	8.2
69.24445	14.7
71.04977	6.3
79.05495	80.1
81.07052	55.5
83.08595	8.9
85.06550	5.5
91.05478	41.0
93.07047	100.0
93.07606	7.0
95.04985	14.0
95.08610	41.4
97.06541	10.1
97.10175	5.5
104.99260	5.9
105.07030	32.7
106.78351	3.4
107.08592	53.0
109.06545	5.0
109.10159	16.5
117.07026	8.9
119.08569	22.7
121.10143	50.0
123.08041	7.8
123.11685	4.7
129.07089	3.8
131.08549	10.6
133.10146	23.4
134.33897	3.7
135.11707	39.7
140.95242	3.8
145.10152	5.2
147.11690	14.3
149.13263	23.5
159.11700	7.5
161.13268	6.1
163.14861	4.3
171.11713	11.5
189.12793	4.7
195.13748	6.4
207.13766	12.9
215.58728	3.3
225.14742	4.8
242.68942	3.7
277.21637	84.8
278.21942	4.1
426.21664	8.7
426.34607	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	426.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28387	7.1
55.01879	6.7
55.05515	96.1
57.03440	23.7
57.07067	9.5
65.03925	6.8
67.05502	48.3
69.07069	58.7
71.04995	11.5
73.06556	7.7
79.05482	44.7
81.07056	68.7
83.08617	63.8
91.05474	27.5
93.07052	39.6
95.04965	11.5
95.08617	27.3
97.06524	100.0
97.10152	13.4
98.44617	6.5
98.98464	26.3
99.08108	10.7
103.27944	8.0
104.99278	7.2
105.07059	18.8
107.08599	35.4
109.10160	25.8
111.08099	8.0
115.07570	28.9
117.07030	12.2
117.95483	7.9
119.08575	23.7
121.10153	31.3
123.11725	7.8
129.07068	9.0
131.08578	11.2
133.10109	22.7
135.11752	13.7
137.13155	6.7
145.10132	11.8
147.11755	8.0
149.09653	7.0
149.13254	12.0
155.01062	21.7
168.35045	6.4
173.11751	9.2
189.16386	7.2
195.13843	15.3
237.22177	12.1
241.68282	8.0
262.98361	10.0
273.18567	10.9
275.20160	11.0
293.21246	7.5
311.25754	44.0
353.27844	8.0
370.95688	6.9
444.17416	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	427.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92122	5.5
69.46490	28.6
74.55430	5.6
79.05502	5.5
85.02909	13.1
98.97595	7.5
117.03378	6.3
120.08115	6.5
135.04398	13.9
136.04897	6.8
139.76012	7.2
150.55214	5.3
161.09531	6.8
163.03899	73.7
163.11188	13.4
163.96300	5.7
181.05049	8.4
237.02940	5.9
247.16888	20.5
285.07382	6.4
301.86407	6.0
389.53442	7.1
427.10138	100.0
427.18848	45.7
428.10291	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	427.1212
Annotation	Asn-Trp-OH
Peak:m/z	Relative Intensity
52.91391	0.4
62.78438	0.3
63.84578	0.4
69.03416	0.8
69.76093	1.1
70.77273	0.3
75.33282	0.4
85.02894	0.9
92.29752	0.4
97.02912	0.4
97.35191	0.3
120.08141	0.5
127.03924	0.4
137.02055	0.5
137.06013	0.7
149.31781	0.3
149.86948	0.3
162.58269	0.3
169.44565	0.4
185.04237	1.8
195.02632	6.7
196.03329	0.6
207.86833	0.4
230.94077	0.4
233.04167	4.7
255.08389	6.5
265.06827	30.5
266.07297	0.6
395.09717	0.7
414.56818	0.4
427.12115	100.0
428.12415	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03873	0.2
55.05509	1.3
57.04541	0.4
65.52795	0.2
69.03412	0.4
69.07043	0.3
70.59326	0.2
79.05507	0.2
85.02903	0.5
94.04064	1.7
96.05613	0.2
97.02894	0.5
97.10169	2.0
106.04066	0.3
112.05059	0.2
115.03936	0.2
115.11192	1.5
120.08118	0.3
121.05137	0.2
123.06671	0.8
126.54519	0.2
133.05026	0.4
133.12212	0.8
135.05443	0.3
143.14827	0.2
150.07745	100.0
151.08221	1.2
163.03854	0.2
212.12630	0.2
261.40317	0.2
265.12729	0.4
282.11966	0.6
295.11478	23.6
296.11804	0.8
304.90985	0.2
427.11798	1.6
427.19803	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1601
Annotation	Hymenoside V
Peak:m/z	Relative Intensity
53.03939	0.6
57.03421	1.3
61.02917	1.8
65.12390	0.6
66.55752	0.5
67.05526	0.9
67.45268	0.5
69.03429	5.4
69.90138	1.7
73.02903	1.3
76.93444	0.5
79.05493	1.3
81.03412	1.3
81.07062	0.7
85.02403	1.1
85.02904	15.9
85.06544	8.1
86.03241	0.6
89.03922	6.1
91.03970	1.3
91.05476	1.3
93.07050	1.4
95.04984	0.8
95.08576	0.6
97.02896	4.0
99.04411	0.6
102.70515	0.6
105.58398	0.5
107.04922	2.8
107.08578	0.7
109.02877	1.1
109.06491	1.0
111.04436	0.7
115.03925	0.6
115.05455	0.7
117.03384	8.0
119.08619	0.7
120.08061	1.1
121.06531	0.7
123.04408	1.0
125.05972	0.7
127.03912	3.5
135.04417	16.9
138.05501	1.3
139.03903	0.5
139.05856	0.6
143.04897	0.9
145.02855	13.1
145.03951	1.3
145.04942	5.3
147.04417	1.5
161.05969	1.4
163.03899	100.0
164.04218	3.0
170.09016	0.7
181.04950	38.5
182.05315	1.2
228.13213	0.6
229.10742	0.6
229.13062	0.6
247.09718	4.6
265.10574	0.7
277.57520	0.5
408.50717	0.6
409.12866	0.7
427.15594	2.7
427.20184	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	427.194
Annotation	Phe Phe Asn
Peak:m/z	Relative Intensity
57.03436	0.6
69.03429	2.8
70.73376	0.6
71.05003	0.7
74.35810	0.3
81.07059	0.7
85.02898	2.6
87.04472	1.5
97.02864	2.0
99.08088	6.5
105.19230	0.3
115.03932	2.9
117.09126	3.0
118.91587	0.3
129.05463	0.6
133.04973	3.0
133.06584	0.4
150.07736	1.3
203.05281	1.1
228.52048	0.4
247.13013	0.6
259.08206	0.3
295.11469	0.5
397.08179	0.3
427.19400	100.0
428.19788	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	427.194
Annotation	Phe Phe Asn
Peak:m/z	Relative Intensity
55.05509	1.6
56.39179	0.3
57.03409	0.4
59.91990	0.3
67.05507	0.3
69.03428	1.4
69.07069	0.4
69.37461	0.4
69.37744	1.5
73.02895	0.4
79.05495	0.4
81.07059	0.5
83.04982	1.2
85.02917	2.2
87.04467	0.7
93.07014	0.3
94.38504	0.3
95.04951	0.3
97.01105	0.6
97.02888	1.2
97.10178	1.7
98.01423	0.4
99.04461	0.4
107.08602	0.6
115.03913	0.9
115.11210	1.1
117.09132	1.6
118.24274	0.3
119.08549	0.4
120.08121	0.5
121.10130	0.7
123.04410	0.4
133.04958	1.5
133.12236	0.8
136.07523	0.5
142.13356	0.6
145.00870	0.3
145.04996	0.4
150.07738	4.3
150.08862	0.4
163.03903	0.6
171.62248	0.3
203.05307	0.8
209.15506	0.7
210.15672	0.9
246.36639	0.3
247.13040	1.5
264.12665	0.4
265.14130	1.3
295.11560	1.1
304.19397	0.3
363.89139	0.4
409.19070	0.4
427.19403	100.0
428.19675	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
53.29210	0.9
55.01870	3.9
55.05511	15.0
57.03433	5.8
57.07092	0.8
59.05002	5.9
60.57652	0.8
61.02937	4.9
67.05501	2.9
69.03429	19.0
69.07064	6.6
70.64342	1.1
71.01345	0.9
71.05002	2.7
73.02926	2.3
79.05505	3.3
81.03425	7.0
81.07053	8.0
83.04980	22.3
83.08636	2.6
85.02904	42.3
85.06550	1.9
87.04482	2.8
91.03963	1.9
91.05465	4.9
92.97729	0.8
93.07047	7.9
95.04966	27.7
95.08587	6.5
97.02888	11.2
98.06060	1.8
99.04450	2.8
101.06012	12.4
101.29275	0.8
103.05452	1.2
105.07023	9.1
107.04971	2.0
107.08589	8.6
109.02879	5.0
109.06519	8.4
109.10149	7.0
111.04460	1.6
117.07010	2.1
119.04955	2.4
119.08595	6.4
120.08118	5.8
121.06501	2.7
121.10145	7.7
123.08065	1.9
123.11718	4.6
127.03893	7.7
131.08589	4.6
133.06461	1.1
133.10170	3.9
135.08037	8.9
135.11697	8.4
137.05962	1.1
137.09621	1.7
139.07481	0.9
143.08606	2.1
145.04982	4.2
145.10124	7.3
147.08069	1.2
147.11685	7.1
149.09601	3.7
151.07506	2.0
156.09343	1.0
159.08086	3.0
159.11723	3.0
161.09654	2.5
161.13324	4.1
163.07533	1.1
163.11185	8.1
163.14815	1.1
165.12750	58.0
166.13123	2.0
171.11719	3.2
173.09645	1.7
173.13214	1.1
175.14877	1.3
177.09073	7.9
177.12755	0.8
177.16383	1.8
187.11163	1.3
187.14833	5.1
189.12674	4.2
191.10612	6.2
191.14284	1.1
191.21318	0.8
196.35118	0.8
201.16454	1.8
205.15828	7.3
211.14699	1.0
219.17474	1.7
229.15831	4.4
231.02574	0.9
235.16965	1.8
247.16945	34.7
248.17285	1.5
265.17984	100.0
266.18262	5.2
367.20212	2.2
427.17752	0.7
427.22961	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	427.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
53.29210	0.9
55.01870	3.9
55.05511	15.0
57.03433	5.8
57.07092	0.8
59.05002	5.9
60.57652	0.8
61.02937	4.9
67.05501	2.9
69.03429	19.0
69.07064	6.6
70.64342	1.1
71.01345	0.9
71.05002	2.7
73.02926	2.3
79.05505	3.3
81.03425	7.0
81.07053	8.0
83.04980	22.3
83.08636	2.6
85.02904	42.3
85.06550	1.9
87.04482	2.8
91.03963	1.9
91.05465	4.9
92.97729	0.8
93.07047	7.9
95.04966	27.7
95.08587	6.5
97.02888	11.2
98.06060	1.8
99.04450	2.8
101.06012	12.4
101.29275	0.8
103.05452	1.2
105.07023	9.1
107.04971	2.0
107.08589	8.6
109.02879	5.0
109.06519	8.4
109.10149	7.0
111.04460	1.6
117.07010	2.1
119.04955	2.4
119.08595	6.4
120.08118	5.8
121.06501	2.7
121.10145	7.7
123.08065	1.9
123.11718	4.6
127.03893	7.7
131.08589	4.6
133.06461	1.1
133.10170	3.9
135.08037	8.9
135.11697	8.4
137.05962	1.1
137.09621	1.7
139.07481	0.9
143.08606	2.1
145.04982	4.2
145.10124	7.3
147.08069	1.2
147.11685	7.1
149.09601	3.7
151.07506	2.0
156.09343	1.0
159.08086	3.0
159.11723	3.0
161.09654	2.5
161.13324	4.1
163.07533	1.1
163.11185	8.1
163.14815	1.1
165.12750	58.0
166.13123	2.0
171.11719	3.2
173.09645	1.7
173.13214	1.1
175.14877	1.3
177.09073	7.9
177.12755	0.8
177.16383	1.8
187.11163	1.3
187.14833	5.1
189.12674	4.2
191.10612	6.2
191.14284	1.1
191.21318	0.8
196.35118	0.8
201.16454	1.8
205.15828	7.3
211.14699	1.0
219.17474	1.7
229.15831	4.4
231.02574	0.9
235.16965	1.8
247.16945	34.7
248.17285	1.5
265.17984	100.0
266.18262	5.2
367.20212	2.2
427.17752	0.7
427.22961	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	427.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44297	0.7
59.72078	0.7
67.05497	0.7
68.86542	0.6
69.17429	2.5
69.17831	1.5
79.05512	0.7
81.07067	1.3
83.08604	0.7
85.02908	1.0
93.07043	0.9
93.18618	0.6
95.08591	1.1
98.23460	1.0
105.07027	1.5
109.10137	0.8
119.08538	0.9
137.09613	0.9
139.05167	0.7
165.09116	4.6
166.88104	0.6
169.78406	0.8
195.02908	2.6
203.12685	1.0
205.12259	0.8
268.81528	0.8
402.15137	0.7
427.26654	100.0
428.26999	6.0
428.32657	1.1
435.55225	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.3
57.07059	0.3
62.24721	0.3
62.26820	0.3
65.00520	0.3
67.05507	0.7
69.07088	0.3
69.19939	0.3
69.20277	1.9
79.05495	0.5
81.03432	0.3
81.07072	0.9
83.04998	0.4
91.05482	0.4
95.08607	0.8
97.06467	0.4
105.07018	0.3
105.32290	0.4
119.08585	0.7
119.17449	0.3
121.10149	0.4
131.08588	0.5
133.10136	0.4
145.59306	0.3
165.09151	1.1
203.12805	0.4
218.93675	0.3
260.88354	0.3
325.11920	1.0
427.26678	100.0
428.17807	0.5
428.27017	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	428.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.3
57.03445	7.4
57.26024	0.8
61.02934	6.8
69.03429	19.3
69.07066	23.7
69.07446	1.2
70.56480	1.5
71.01379	0.9
71.04992	3.2
73.02921	6.4
73.35618	0.8
73.40896	0.8
81.03426	5.9
81.07059	4.7
85.02903	100.0
86.03221	1.6
87.04459	4.5
87.08100	0.9
91.03953	5.8
93.07026	0.9
97.02892	30.9
99.04462	4.9
99.08102	11.4
101.02393	1.4
103.03922	0.9
105.07033	1.1
109.02884	7.4
111.08058	1.3
115.03931	6.8
117.09124	23.7
121.49689	0.8
127.03916	26.6
133.04956	4.9
140.09001	0.8
145.04961	62.5
146.05348	1.6
163.06017	40.6
164.06306	0.9
168.58209	0.8
193.93240	0.9
213.11215	2.0
231.12329	2.2
289.09189	1.2
325.11249	3.8
428.19839	0.9
429.13477	2.8
429.21008	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	428.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.3
55.01873	2.6
55.05497	1.0
57.03439	7.8
58.08466	0.8
61.02936	9.1
69.03427	17.9
69.07070	12.6
69.65102	2.8
71.04982	2.6
73.02924	5.5
79.05487	1.8
81.03426	6.5
81.07043	5.5
85.02905	100.0
85.06552	1.0
85.10864	0.9
87.04473	3.5
87.21448	0.9
91.03967	5.0
93.07056	1.8
95.08601	1.5
97.02897	25.6
97.06563	1.2
98.06099	0.9
99.04475	4.3
99.08091	6.9
103.03947	1.3
105.07008	1.3
109.02876	8.2
109.06534	1.3
111.08107	4.3
115.03937	4.8
117.09121	9.4
121.06540	1.1
121.10295	0.9
127.03917	24.3
131.08614	1.6
133.04945	2.4
133.06453	1.3
145.04959	51.1
146.05292	1.3
147.07976	0.9
149.09637	1.2
151.07631	0.9
153.09140	1.5
163.06020	29.1
177.09137	1.1
195.10158	4.9
198.35753	0.9
213.11232	2.9
231.12221	1.8
287.04565	0.9
325.11252	3.5
428.15482	1.1
429.20969	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	428.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01865	6.4
57.03436	16.1
59.04965	1.6
61.02931	14.9
64.21082	1.3
69.03430	32.3
69.09897	5.3
69.10301	2.7
71.01337	4.4
71.04974	3.2
73.02914	71.1
81.03411	7.9
81.07050	1.9
83.04962	1.4
85.02902	100.0
87.04467	5.3
91.03957	4.9
91.05487	1.7
93.07008	1.6
95.05038	1.5
95.08600	1.4
97.02253	2.8
97.02886	52.6
98.23423	3.8
99.04449	4.7
103.03922	2.0
105.06981	1.5
107.32195	1.7
109.02892	8.6
115.03928	27.2
115.07744	1.3
125.02365	1.9
127.03905	33.0
133.04959	32.1
142.08620	1.3
145.04956	56.5
150.07559	2.0
163.06017	23.4
194.16475	1.4
223.05933	4.7
234.08586	3.6
241.06992	6.7
255.78061	1.5
259.08069	6.4
266.18289	1.9
277.09067	1.9
279.17996	1.8
295.10214	2.9
367.20804	2.0
428.17847	2.6
428.23328	1.6
429.15332	4.0
429.20795	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	428.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.6
55.05503	1.6
56.15923	1.1
57.03439	15.5
59.05003	2.7
61.02924	12.0
62.07705	1.1
69.03059	2.1
69.03425	27.8
70.68925	1.4
71.01344	2.6
71.05009	2.2
73.02917	71.6
81.03405	6.5
81.07060	1.9
83.04979	1.2
85.02904	100.0
87.04462	5.7
91.03942	3.6
91.05460	1.7
95.04953	1.4
95.08542	1.6
97.02895	49.7
99.04446	4.2
103.03961	3.1
103.05440	1.2
107.04973	1.3
109.02880	7.2
115.03929	27.8
120.08127	1.3
125.02358	1.3
127.03913	30.3
133.03949	1.6
133.04962	30.9
145.04959	53.1
147.08041	1.1
150.07632	2.8
159.04440	1.0
163.06004	24.9
165.12856	1.2
199.05983	1.8
211.09979	1.3
211.20746	1.3
217.07170	2.2
223.06065	4.9
241.07051	6.0
252.18307	1.4
259.08267	6.0
265.17871	1.0
266.18268	3.4
277.09085	1.7
279.18134	2.4
295.10104	1.4
299.67896	1.0
428.17734	1.4
428.23230	2.6
429.16327	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	428.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72972	1.4
55.01869	2.0
55.05514	10.0
56.05033	4.2
57.03422	2.8
57.07082	8.4
59.06173	1.5
60.04526	72.0
67.05508	18.8
69.07065	8.4
70.06605	1.5
72.04510	2.0
77.67364	1.3
79.05489	9.2
80.05038	2.2
81.07051	12.2
82.06586	14.0
83.04970	3.4
83.08635	7.2
85.06548	9.7
87.08098	1.7
91.05469	5.1
93.07054	19.9
94.06564	14.8
95.04955	13.5
95.08606	13.4
96.08122	2.3
96.09010	1.6
97.06541	3.4
97.10157	4.1
97.13598	1.9
98.09683	2.0
98.23510	4.0
99.97505	1.6
103.05464	3.1
105.07008	2.4
108.08119	4.6
109.06548	2.0
109.10121	2.8
110.06044	2.2
110.09692	9.4
111.08049	2.5
112.07590	2.0
117.05491	4.6
120.08115	6.0
121.06492	5.2
121.10117	3.4
122.10439	1.9
126.09182	11.0
135.11681	2.1
138.09143	47.7
139.07535	6.5
145.33792	1.5
156.10213	26.6
174.11246	8.9
181.12163	2.2
181.55672	1.8
194.86058	1.6
195.65874	1.5
203.69363	1.7
213.94325	1.4
217.73843	1.2
256.26422	2.1
266.24707	2.1
272.25769	2.3
392.31436	3.1
410.27203	2.4
410.32639	25.4
428.33646	100.0
429.33862	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	429.1561
Annotation	Wortmannin
Peak:m/z	Relative Intensity
69.45547	15.6
91.08219	3.5
91.08826	4.0
93.07082	4.5
98.22746	7.0
115.11526	3.7
137.51656	4.0
145.10139	3.9
149.02364	4.2
214.00569	4.4
259.06110	6.0
277.07303	5.7
291.08804	23.0
315.19321	5.1
318.07248	4.6
327.12436	15.1
331.08472	4.5
345.13745	9.1
347.15280	4.7
347.21997	12.5
349.16916	5.3
369.13477	35.4
387.14618	7.7
410.15906	5.2
411.14511	100.0
429.15427	7.8
429.26389	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	429.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.3
62.39467	0.2
69.03426	1.2
69.40969	0.6
69.41373	1.0
69.64584	0.3
70.03772	0.4
71.67541	0.3
73.04783	0.4
85.02904	1.2
87.04496	0.8
95.28141	0.3
97.02908	0.8
99.08087	1.8
100.08427	0.5
115.03941	0.7
117.09154	1.0
118.09492	0.4
133.04964	1.0
134.05310	0.3
137.05980	0.3
161.27534	0.3
185.04292	0.3
203.05222	1.7
205.44527	0.3
207.59265	0.3
249.07384	0.8
249.14629	0.5
359.03171	0.5
371.16718	1.1
411.19965	2.1
429.14102	4.7
429.20969	100.0
430.21332	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	429.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.4
57.03442	0.6
69.03426	1.1
69.47646	2.4
69.73191	0.4
70.06595	0.6
73.10886	0.4
84.08156	0.4
85.02923	0.8
88.85455	0.5
97.02882	0.6
111.71273	0.5
115.03961	0.8
133.04906	0.9
134.05351	0.5
150.07793	0.7
158.97372	0.5
188.87016	0.5
203.05255	2.0
234.99001	0.8
267.08469	1.6
340.99603	0.7
347.84006	0.5
371.16962	0.8
429.21011	100.0
430.21420	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	429.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.3
63.24438	0.3
69.03421	1.0
69.07074	0.4
69.46752	1.2
70.06586	0.9
71.06659	0.3
73.02923	0.8
84.08154	0.3
85.02917	1.2
85.91718	0.3
86.03244	0.5
87.04519	0.4
95.04941	0.3
97.02889	1.3
98.22728	0.6
98.35438	0.3
115.03938	0.8
116.04255	0.3
117.09102	1.5
118.09491	0.5
123.04433	0.4
126.14577	0.3
133.04964	0.8
145.05008	0.5
145.06435	0.3
172.83620	0.3
179.03320	0.4
189.93745	0.3
196.10590	0.3
196.24438	0.2
203.05263	4.8
222.52161	0.3
249.07352	3.2
249.14633	0.4
267.08539	0.5
283.41638	0.3
286.22604	0.3
295.45325	0.3
371.16772	0.9
397.11026	0.5
399.19943	1.8
429.20975	100.0
430.21259	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	429.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41204	0.5
53.78260	0.6
55.05498	0.8
57.07067	0.8
63.37781	0.5
63.44450	0.7
67.05485	0.9
71.21871	0.7
79.05482	1.2
80.53951	0.6
81.07054	1.9
83.20895	0.6
91.05475	0.7
93.07041	2.4
95.08588	1.3
105.07017	0.6
107.08591	1.4
109.10159	0.7
109.15328	0.6
119.08595	1.1
121.10101	0.7
130.40869	0.5
145.10080	1.0
150.71864	0.6
153.05215	100.0
154.05573	2.1
198.88844	0.6
206.86761	0.6
215.14293	2.2
256.26297	0.7
299.19794	22.3
300.20169	1.2
372.04706	0.6
429.25409	1.0
429.30325	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21783	2.1
52.88312	2.0
59.99262	2.1
69.59985	8.2
79.05508	2.4
81.07058	4.3
83.08629	2.5
95.08587	4.7
107.08630	2.5
116.41755	2.2
123.45496	2.3
150.54745	2.5
152.56757	2.4
153.05206	30.5
153.06340	2.9
154.08562	2.5
165.09077	2.9
172.08838	2.3
265.22781	3.0
298.55096	2.6
299.19815	100.0
300.20074	3.3
320.75049	2.7
355.11902	2.5
383.21893	6.7
429.25885	9.5
429.31815	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	429.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	0.4
57.05799	0.3
58.06591	0.3
67.05521	0.5
69.07065	6.6
70.12790	0.3
70.13140	0.5
74.12526	0.2
75.05598	2.2
81.07049	0.2
86.06072	4.5
86.09705	100.0
87.10040	1.2
90.42043	0.2
93.07012	0.3
95.08591	0.4
98.23335	0.3
105.07040	0.4
114.05527	9.4
121.10160	0.3
143.11792	10.6
146.11755	6.4
153.06615	0.7
171.07643	3.2
171.11353	0.9
237.67365	0.3
238.15517	0.7
256.16556	15.1
257.16946	0.7
257.51901	0.2
259.20203	0.8
284.16043	5.7
285.16516	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3731
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
52.06590	0.5
52.17159	0.5
55.05513	3.2
57.07080	16.4
62.80086	0.5
67.05510	6.6
69.07064	5.2
70.07333	0.5
70.44129	0.4
70.72219	1.1
71.08633	12.2
79.05484	2.1
81.07060	7.3
83.04983	0.9
83.08650	2.8
85.10172	5.9
91.04419	0.5
91.05476	2.3
91.74095	0.5
93.07040	2.0
95.08610	6.3
97.10178	3.2
99.11703	0.7
105.07021	2.7
107.08589	5.3
108.54833	0.6
109.10160	6.5
111.04440	1.2
111.11729	1.4
117.06967	0.9
119.08572	3.8
121.06514	1.7
121.10133	3.5
122.07325	1.2
123.08100	0.9
123.11684	1.9
131.08594	2.7
133.10117	1.3
135.08067	5.1
135.11697	2.4
136.08829	1.1
137.06007	1.0
137.09619	10.8
139.07564	2.9
144.09290	0.6
145.10085	2.0
147.11737	0.9
149.09619	13.5
149.13313	0.7
151.07529	1.6
151.14760	0.6
154.68515	0.5
157.10143	0.6
159.08022	1.1
159.11719	2.3
160.08826	0.9
161.09634	1.1
162.06764	0.8
163.11186	22.8
164.08305	1.8
164.11610	0.7
165.09119	100.0
166.09456	2.5
172.08830	0.6
173.09641	2.1
173.13284	2.4
174.10446	0.8
175.07579	1.3
175.11195	6.4
176.08263	1.3
176.89406	0.6
177.09114	11.1
177.12752	2.5
179.10681	1.7
186.10449	1.5
187.11188	2.9
189.09128	1.4
189.12755	2.3
190.09906	0.7
191.10667	10.6
191.14313	1.1
201.12733	3.0
202.57739	0.5
203.10713	1.4
203.14366	1.1
204.11397	0.8
205.12248	12.0
206.82057	0.6
209.65549	0.6
209.78223	0.5
213.63290	0.7
215.14232	1.5
219.13843	5.0
233.15395	2.3
247.16934	2.2
261.18594	1.3
275.20068	1.0
279.29303	0.6
289.21710	1.5
303.23138	1.3
317.24622	1.3
331.26410	0.9
345.27829	1.0
359.29291	0.8
373.31046	1.8
394.93985	0.7
401.34140	2.9
411.36237	2.6
429.37296	58.8
430.37964	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	429.3729
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
52.78552	1.5
55.05517	3.4
57.07077	14.7
64.97568	1.3
65.68069	1.3
67.05492	6.3
69.07058	3.6
69.19142	8.3
71.08633	9.2
74.75365	1.3
81.07047	8.3
83.04953	1.3
83.08626	3.2
85.10174	4.0
91.05453	2.8
93.07014	2.2
95.08602	7.1
98.22779	2.8
105.07025	1.5
107.08575	5.9
109.10188	7.7
109.10816	1.2
119.08569	4.0
121.06473	2.7
121.10143	4.1
122.07318	1.7
131.08600	2.0
135.08031	6.3
135.11687	2.6
136.08849	2.0
137.09593	13.6
139.07535	2.1
144.09312	1.4
145.10132	1.7
149.09610	16.3
159.11681	4.4
161.09660	1.6
163.11186	14.8
163.12456	2.0
164.08322	3.9
165.09119	100.0
173.09618	3.2
173.13274	2.9
175.11150	5.8
177.09093	11.2
177.12732	3.2
179.10674	2.5
186.91847	1.6
187.11165	4.1
189.09085	1.5
189.12700	1.6
190.09837	1.9
191.10625	8.5
191.14191	1.5
201.12704	2.9
203.10695	1.8
205.12202	9.5
215.14421	1.6
219.13841	3.7
233.15416	2.2
247.16859	1.5
429.37265	30.2
430.38058	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	429.373
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
50.87104	1.3
54.26461	1.3
55.05511	4.1
57.07073	22.7
60.66932	1.3
67.05501	5.7
69.07056	6.3
71.08632	14.6
79.05505	1.6
81.07059	10.8
83.04941	1.9
83.08614	3.1
85.10183	4.3
91.05492	3.8
93.07055	3.0
95.08594	10.5
105.07024	4.1
107.08611	8.7
109.10136	7.3
119.08562	6.1
121.06516	1.9
121.10147	4.2
122.07262	2.0
131.08556	3.4
133.10085	1.8
135.08069	6.2
135.11682	2.6
137.09604	13.0
139.07603	1.8
145.10124	4.8
149.09602	20.7
159.11708	4.1
161.09590	2.1
162.06813	2.2
163.11200	20.2
165.09113	100.0
169.92664	1.4
173.09579	3.1
173.13298	2.2
175.11156	5.6
176.08324	1.8
177.09113	13.2
177.12791	1.5
186.10440	1.4
187.11142	3.9
189.12744	1.9
190.09912	2.0
191.10649	14.6
201.12758	4.1
205.12280	11.1
219.13808	6.9
233.15364	2.1
247.17323	1.9
252.68954	1.6
289.21667	1.8
359.29208	2.1
429.16782	1.6
429.37277	33.8
430.37653	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	430.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76277	1.0
55.01857	2.0
55.11946	1.0
56.76153	1.0
57.03179	1.6
57.03437	19.7
57.07071	15.5
59.05004	1.5
61.02927	9.7
69.03428	29.8
69.06316	0.9
69.65993	3.0
69.66329	1.8
70.84627	0.9
71.01353	2.9
71.04993	2.4
72.08133	2.0
73.02914	35.6
81.03401	5.1
85.02903	100.0
85.06557	0.9
86.03247	1.6
86.09702	12.3
87.04467	7.6
91.03967	6.5
91.05490	1.3
97.02890	45.7
98.22681	1.3
99.04453	4.8
103.03922	1.3
109.02874	8.8
115.03931	38.7
119.04931	2.3
119.10702	8.4
120.08105	3.0
124.03968	1.2
124.07566	1.3
127.01364	1.1
127.03915	28.3
130.05011	2.5
133.04962	18.6
135.04404	2.0
141.05426	2.8
145.04955	63.0
147.04434	5.9
147.07649	4.6
147.75221	0.9
159.06566	2.8
161.34950	1.0
163.03954	8.5
163.06010	34.4
171.11372	1.5
195.01122	1.2
195.08626	15.0
196.01357	1.3
198.07552	1.7
219.12027	1.6
223.05966	1.3
225.09685	40.7
225.11916	2.3
228.21922	1.1
241.07112	3.8
259.08127	4.4
268.11880	2.2
295.10287	9.9
357.14252	1.3
370.14740	1.5
371.15948	1.2
396.74014	1.2
430.11838	2.0
430.21561	15.6
431.12836	1.7
431.18332	4.1
431.23294	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.7
53.19316	0.8
55.01836	0.8
57.03436	27.8
57.07075	13.8
59.04995	1.9
61.02926	7.4
63.04490	26.6
65.42466	0.7
69.03429	35.7
70.03736	0.9
70.60349	1.0
70.87392	0.6
71.01342	2.9
73.02917	52.0
74.03244	0.8
81.03408	2.7
85.02901	39.2
86.09711	1.2
87.04469	12.9
87.04993	0.8
91.03941	0.8
97.02893	47.1
98.03175	0.7
99.04445	2.4
101.02351	0.7
101.09637	1.1
104.58183	0.7
109.02891	2.7
115.03930	48.2
119.10693	100.0
120.11018	1.9
127.03917	10.3
133.04962	25.8
145.04973	8.9
150.07625	2.3
163.03880	1.1
163.06039	4.0
180.06540	0.7
193.05049	0.8
198.07570	1.3
199.06050	0.8
211.06036	0.9
223.05946	3.3
241.07092	4.1
251.14906	3.0
259.08139	4.6
268.11673	1.0
281.15915	3.6
295.10275	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	431.1719
Annotation	13alpha-Acetoxypukalide
Peak:m/z	Relative Intensity
67.05491	1.5
70.74287	1.8
79.05466	2.3
81.07036	3.4
91.05445	2.0
98.98434	2.3
105.07001	1.6
107.08579	1.4
109.35054	1.2
117.06991	1.2
119.08615	3.3
126.98113	1.2
133.10165	1.3
145.10091	1.4
147.11670	2.2
161.13251	1.6
241.19540	1.5
248.18304	1.4
259.06094	6.5
259.20465	2.2
269.10400	1.7
271.28491	1.3
273.07712	76.0
274.08047	1.9
277.07211	9.0
289.07291	2.9
291.08774	100.0
292.09061	3.4
307.08249	3.4
309.09750	3.6
314.10403	17.4
315.11102	1.2
319.08310	3.5
332.11581	1.4
333.09808	15.4
333.23990	1.6
367.17972	1.6
371.14969	12.3
389.16098	27.6
390.16360	2.4
412.17831	1.8
431.11456	3.0
431.17047	40.2
432.17438	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	431.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.2
55.05508	2.8
59.98736	2.0
67.05506	8.2
69.07065	3.4
69.74442	7.0
73.76899	2.5
79.05489	4.4
81.07059	10.3
83.08635	2.4
84.08873	2.2
91.05453	2.6
93.07051	5.2
95.08612	9.2
105.07021	2.8
107.08604	5.8
109.10197	3.4
113.00018	55.4
119.08598	8.9
121.10155	2.4
135.08086	3.0
169.02603	51.2
169.03966	4.0
233.99420	2.5
245.22884	2.6
247.13049	89.9
247.15607	4.9
248.13490	2.6
261.27463	2.0
263.23700	3.2
273.01419	2.0
315.19327	3.7
317.20782	2.5
333.20398	2.9
383.20322	2.0
387.25409	3.6
431.27679	100.0
432.27786	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	431.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.8
57.03434	3.7
57.07052	1.2
66.74423	1.2
67.05502	11.7
69.07073	2.3
71.08648	1.1
71.44950	1.0
79.05505	2.9
79.35567	0.9
81.07055	13.6
83.08634	1.4
91.05495	2.4
93.07044	3.0
95.05022	1.0
95.08609	8.6
105.07063	2.1
107.08608	3.8
109.10179	4.6
113.00016	73.3
119.08605	4.7
121.10149	2.0
123.11698	2.2
133.10143	2.2
135.08044	1.2
135.11681	1.6
147.11734	1.9
149.13237	1.4
153.05228	100.0
154.05557	1.3
169.02614	69.2
245.22633	2.1
263.23709	4.1
301.10699	1.2
301.21387	16.3
302.21960	1.3
370.13840	1.3
401.13766	1.3
403.19519	1.6
415.15338	1.8
416.16183	1.6
431.18396	19.2
431.27600	3.2
432.19128	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	433.113
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
63.00232	0.0
64.48271	0.0
67.01862	0.4
68.99763	0.3
69.03409	0.1
69.19673	0.3
76.45665	0.0
85.02899	0.1
85.24047	0.0
91.05485	0.3
94.40483	0.0
108.75091	0.0
109.02853	0.1
116.35616	0.0
119.04935	2.0
120.05277	0.1
121.02859	0.5
129.01802	0.1
139.37256	0.0
145.02824	0.6
153.01816	4.9
154.02097	0.1
163.03902	0.4
164.17334	0.0
171.02911	0.3
171.63478	0.0
187.03894	0.1
197.06012	0.1
202.06438	0.1
203.07071	0.2
225.05438	0.3
225.12965	0.0
229.04910	0.3
242.09465	0.0
243.06496	0.3
247.06020	0.1
253.04926	0.1
270.04999	0.1
271.05978	100.0
272.06323	4.9
272.09546	0.1
336.63467	0.0
433.11111	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08377	0.3
58.80662	0.3
69.03429	0.4
69.54954	1.2
85.02915	0.7
87.04476	0.3
93.03411	0.4
97.02894	0.6
98.23449	0.4
98.58546	0.3
105.65595	0.3
109.02860	0.3
111.47356	0.3
113.06004	0.7
115.03942	0.3
133.04973	0.4
137.02370	0.5
139.03905	1.3
144.43094	0.3
271.05850	0.5
271.08374	0.4
301.12540	3.6
433.16806	100.0
434.17230	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1874
Annotation	Sethukarailide
Peak:m/z	Relative Intensity
67.05510	1.0
69.03432	0.8
78.16936	0.7
81.07053	1.2
81.77896	0.8
83.12119	0.8
93.10602	0.8
105.07061	0.9
107.08601	2.0
116.64684	0.9
119.08557	5.6
119.12247	1.1
120.08937	2.6
135.08046	2.1
153.01799	2.2
169.04886	1.5
185.27158	1.0
189.05754	0.9
250.14667	0.9
251.05812	1.4
251.11270	0.9
259.06143	1.2
268.06738	1.0
269.12335	1.0
271.06000	62.8
272.06384	3.6
273.07736	2.2
277.07162	1.4
291.08792	100.0
292.09094	3.5
309.09903	5.2
315.19397	1.6
319.08231	1.1
328.41663	1.1
332.11545	4.7
333.09970	2.0
338.97235	1.0
351.18198	1.0
353.21893	1.5
355.15222	1.2
373.16602	11.6
391.17676	42.2
392.17957	2.5
415.17700	2.6
433.18103	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	433.2353
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03943	0.8
55.05511	8.8
57.03440	8.8
57.07077	3.7
57.77064	0.8
63.05212	0.9
65.03941	2.0
67.05506	50.4
68.59370	0.6
68.99809	0.8
69.07072	9.7
69.49891	1.9
69.50308	2.4
70.64544	0.7
71.05009	0.9
71.08653	1.1
74.73585	0.7
75.04492	1.1
79.05499	26.6
81.07059	54.5
83.04988	1.5
83.08628	5.8
91.05476	14.0
93.06441	1.7
93.07043	37.9
95.04972	3.4
95.08607	44.2
97.06522	2.3
97.10194	2.2
98.98470	64.5
99.08092	2.1
102.42611	0.8
105.07032	12.8
107.08598	24.2
109.06499	1.3
109.10160	19.4
111.08086	1.6
116.06388	0.7
117.07012	4.4
119.08582	10.2
121.10143	15.5
122.10465	0.8
123.08083	1.4
123.11715	7.6
125.09657	1.4
129.05521	0.9
131.08575	8.9
133.10129	7.9
135.11707	10.7
137.09688	1.2
137.13264	2.1
141.09351	0.7
145.10117	7.2
147.11685	7.7
149.09727	1.0
149.13263	9.9
151.14783	1.4
153.01790	1.2
155.01016	9.4
159.11681	6.3
161.13268	4.4
163.14851	6.0
171.11624	1.0
173.02106	12.6
173.03352	1.1
173.13297	6.7
175.14842	2.4
177.16412	1.7
179.14326	1.0
187.14803	4.1
194.54813	0.7
233.19313	0.8
233.22675	2.8
243.21089	14.7
261.22150	45.4
262.22556	2.6
269.48920	0.7
271.06018	34.1
272.06277	1.5
279.23343	1.8
305.24356	0.9
317.24689	6.3
335.19086	4.2
335.25803	100.0
336.26111	6.6
415.15131	1.4
415.22549	2.8
433.16379	1.1
433.23553	1.8
433.29303	26.5
434.29749	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2352
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03962	1.8
55.05504	7.4
57.03443	10.6
57.07070	4.4
65.03940	2.0
67.05504	38.4
69.07074	8.7
71.08617	2.3
79.05496	28.8
81.07056	43.4
83.05005	2.3
83.08615	5.2
85.06551	3.2
88.06886	1.1
88.29013	1.2
91.05488	14.9
93.07041	37.7
95.04968	2.8
95.08607	35.8
97.06537	2.9
97.10195	1.4
98.98473	40.3
99.08094	2.5
100.09360	1.3
105.07028	9.4
107.08597	22.6
109.06505	2.1
109.10151	11.5
111.08078	1.7
113.09633	1.8
117.07018	5.0
119.08603	7.4
121.10133	17.5
123.11711	6.3
131.08562	11.7
133.10135	6.0
135.11699	13.1
137.13271	3.1
137.96323	1.2
145.10095	7.6
147.11662	7.0
149.13248	9.2
151.14818	1.4
153.01846	3.9
155.00992	7.5
159.11726	7.4
161.13232	3.6
163.14812	9.0
173.02126	9.3
173.13206	6.4
175.14810	1.9
177.16412	3.3
187.14835	3.0
217.19543	1.5
233.22636	2.8
243.21106	21.6
244.37578	1.1
261.22156	36.5
262.22549	1.7
271.06006	100.0
272.06326	7.5
317.24661	5.3
335.25784	86.9
336.26187	4.7
349.16766	1.3
356.82053	1.2
373.16550	3.4
415.21692	1.4
433.14920	1.7
433.25778	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	22.4
59.05006	40.5
60.24134	4.2
67.05508	16.2
69.07068	6.9
69.12175	15.9
69.12577	12.2
79.05512	12.1
81.07063	11.1
85.06539	71.4
90.95855	3.8
91.05467	39.1
93.07030	22.7
93.98113	4.9
95.04938	4.7
95.08605	20.6
99.89866	4.4
105.07034	26.5
106.18075	4.4
107.08608	19.4
109.06529	9.7
109.10161	15.0
111.08125	6.3
113.00027	12.5
117.07030	12.1
119.08583	55.2
121.10162	14.8
123.08099	11.4
125.09641	17.9
128.06221	5.5
129.07002	8.5
131.08583	16.3
133.10107	14.0
135.08058	4.7
135.11647	5.9
137.09644	18.9
142.07794	13.8
143.08574	17.4
145.10114	21.4
147.08008	5.7
147.11687	7.0
149.09633	8.1
151.11169	15.5
153.01779	5.7
153.07054	5.5
155.08585	5.9
156.09366	12.4
157.10130	20.4
159.11696	7.6
163.11186	8.0
165.12788	4.4
168.09302	5.5
169.02592	11.5
169.10126	11.6
170.10832	6.8
171.11621	10.2
175.11241	5.2
181.10083	5.9
183.11714	7.2
185.13307	5.4
193.10109	6.5
197.13393	4.2
203.14354	6.2
207.11717	4.8
209.13326	6.5
215.14403	7.7
223.14957	5.4
271.05997	100.0
272.06473	7.3
433.23880	8.2
433.31442	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	433.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	20.1
59.05000	36.5
61.24931	4.5
67.05508	16.4
69.07062	7.1
76.53011	4.7
79.05502	10.9
81.07061	14.6
85.06548	72.1
91.05492	34.5
93.07045	27.7
95.08613	18.0
105.07040	29.1
107.08600	16.7
109.06455	5.1
109.10162	14.2
111.08106	7.9
113.00009	18.6
117.07013	12.3
119.08585	48.8
120.08937	6.1
121.06440	4.0
121.10146	18.5
123.08114	9.0
125.09622	18.5
128.06284	5.1
129.06998	5.3
131.08568	9.9
133.10167	12.2
135.11714	10.6
137.09621	13.1
142.07750	9.1
143.08571	19.8
145.10133	27.6
147.11678	6.3
149.09610	6.7
151.11203	25.2
153.01823	6.4
155.08591	5.0
156.09348	5.6
157.10118	20.9
159.11699	12.8
163.11115	7.5
169.02620	16.2
169.10193	10.4
170.10870	6.2
171.11656	12.3
173.13214	6.6
175.11183	6.6
182.10953	5.6
183.11664	7.4
195.11752	9.9
197.13364	5.4
209.13225	10.7
221.13229	8.6
223.14766	5.5
225.13086	5.5
235.14847	5.3
271.06006	100.0
271.08905	6.1
272.06323	7.0
291.20801	4.7
303.59729	4.4
341.24884	4.7
433.30569	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	434.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02365	0.4
65.03941	2.7
66.48236	0.3
69.03429	1.2
70.02350	0.8
70.54099	0.3
71.04974	0.3
73.02903	0.3
75.64059	0.3
79.05500	0.9
79.23051	0.2
79.81703	0.3
80.05010	1.9
81.03416	2.4
85.02908	1.8
89.03915	5.1
91.05502	0.4
92.05005	15.8
93.05797	2.7
94.06570	0.5
95.04954	0.6
95.06082	0.3
97.02902	0.6
98.23306	0.4
99.04469	0.6
107.04950	1.9
109.02896	1.3
110.06042	100.0
111.06367	1.9
117.03378	7.6
122.06894	0.4
123.04382	0.3
126.05289	0.3
127.03912	0.5
135.04419	16.4
145.01689	0.6
145.02844	12.3
146.03229	0.4
152.07097	0.5
163.03903	99.9
164.04245	1.7
181.04965	1.0
183.31799	0.3
254.10167	0.8
255.08656	0.7
272.11285	12.5
273.11496	0.5
291.42429	0.3
307.08148	3.7
325.09167	2.5
434.14395	12.7
435.14389	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45503	1.9
51.24669	1.6
52.49248	1.8
57.03443	27.3
58.80070	1.6
61.02928	63.4
64.72095	1.9
66.54324	1.7
68.61531	1.4
69.03435	10.5
73.02916	23.4
75.04482	23.0
75.84162	1.5
78.10636	1.7
81.03419	3.6
85.02905	91.4
86.03237	2.0
87.04518	1.9
90.05545	2.6
91.03956	78.9
93.05520	78.5
97.02892	32.5
97.96508	1.6
99.04472	4.1
103.03912	3.3
109.02847	2.4
113.06001	5.2
115.03937	5.7
124.66316	1.9
127.03924	32.6
128.04216	1.9
131.04929	2.0
137.45036	1.6
140.03415	5.5
143.99399	1.7
145.04962	49.0
154.33241	1.8
163.03944	3.0
163.06026	100.0
170.13124	1.7
173.03001	2.0
203.04050	2.1
255.10732	26.8
434.16873	8.2
435.07315	4.3
435.12567	26.2
458.36557	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	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.2
56.17681	1.2
57.03440	10.2
61.02903	1.1
69.03434	2.8
70.95202	1.7
71.01336	1.5
71.04993	72.6
73.02915	2.5
75.04485	5.6
81.03418	1.4
83.04986	8.7
85.02904	100.0
87.04471	3.1
91.05478	22.4
95.04960	4.5
97.02871	6.8
99.04437	2.6
103.03928	2.0
105.07027	2.5
107.04983	1.7
110.06055	3.5
111.04432	4.5
117.07006	1.7
121.06525	1.6
123.04429	3.3
125.02302	1.8
127.03923	4.0
129.05470	52.7
133.06502	1.6
145.04958	4.3
145.06438	3.1
146.08122	1.6
147.06520	25.8
151.03853	3.2
159.93637	1.2
163.03984	2.2
163.05977	2.4
164.09167	8.3
175.07516	2.3
185.04430	6.7
219.06651	1.6
237.07573	2.2
238.32935	1.2
255.08664	16.4
273.09805	1.6
309.11728	1.8
335.95105	1.5
435.18451	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	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.7
57.01649	1.8
57.03180	2.7
57.03436	34.3
61.02927	12.4
61.96638	1.6
69.03428	49.8
69.03809	3.4
70.41511	3.5
71.01356	3.5
73.02915	54.6
81.03416	6.4
85.02900	100.0
87.04459	19.5
91.03947	4.3
97.02888	59.4
99.04422	2.7
105.07024	18.0
109.02882	7.1
115.03928	57.7
127.03908	29.3
133.04955	33.0
133.06499	2.0
145.04944	45.7
147.08083	2.2
150.07622	7.0
163.06012	26.0
201.09096	4.0
217.73413	1.9
223.05971	3.3
241.07060	6.8
249.11285	2.3
259.08249	4.2
285.13269	6.5
295.10251	3.8
373.48724	1.9
434.20547	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	434.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61054	1.2
55.01859	1.3
55.05510	2.4
56.96554	3.7
57.03430	1.5
65.03923	2.0
67.05498	8.5
69.03421	3.4
71.13596	1.1
72.08164	1.3
81.03432	1.3
83.04976	8.9
84.08093	1.1
85.02903	6.7
93.03393	2.4
93.25608	1.1
94.03735	1.4
95.04941	2.7
97.02892	3.3
101.06016	18.3
103.05445	4.5
111.04444	5.9
112.04765	2.2
113.06007	100.0
114.06323	2.1
116.04237	1.2
116.98685	1.1
117.06960	1.8
123.04478	1.6
124.03967	1.3
127.03884	1.8
129.07022	5.9
131.04919	22.0
131.07034	11.2
133.04959	1.2
137.05966	9.0
139.03900	14.4
140.04233	7.8
145.04918	1.2
157.06494	7.3
163.03941	6.7
163.07495	9.8
166.06252	1.6
174.06744	2.4
181.08647	2.3
189.09117	8.7
207.10243	2.9
219.10176	3.0
231.01762	1.2
237.07625	1.7
255.01729	4.6
255.12326	5.1
273.02924	3.6
411.05814	2.9
416.17007	3.2
434.17093	50.5
435.18390	90.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.2
57.03434	10.0
61.02918	1.4
69.03432	3.8
69.52935	4.5
75.04490	6.0
76.00976	1.0
79.05470	1.2
80.37349	0.9
81.03395	1.6
84.08147	1.4
85.02918	9.4
89.03939	1.1
91.05482	7.3
93.07045	3.7
93.10415	1.0
97.02885	4.3
98.22622	1.1
99.04483	1.2
103.05468	31.7
105.07018	2.7
107.04951	2.6
109.02860	2.0
109.06507	2.0
110.03643	5.1
114.44208	0.9
117.03351	1.8
119.04951	10.2
121.06492	6.1
121.78202	1.1
123.04417	12.5
124.05217	2.9
127.03914	1.6
130.04097	1.4
131.04929	100.0
132.05257	2.1
133.06538	1.6
135.04391	2.8
135.08078	2.4
137.05965	16.3
138.06752	15.9
145.02846	1.4
145.04924	1.8
145.06500	1.4
147.04407	2.5
148.05194	12.3
149.06047	1.2
151.07535	6.8
158.07184	1.1
160.05223	1.3
161.05975	4.3
161.09637	1.1
162.06711	1.2
163.03905	18.3
163.07539	72.2
164.07928	1.3
166.06264	17.8
175.07530	2.0
179.07008	4.5
181.08589	26.8
182.08878	1.1
215.24010	0.9
219.06375	1.1
219.10223	3.0
225.49806	0.9
237.07623	1.7
237.11247	17.4
237.14865	1.4
255.12268	61.9
256.12823	2.9
399.16232	1.9
434.17499	10.8
435.18332	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	9.1
57.03441	11.3
59.05017	3.5
61.02934	3.6
63.25210	2.9
67.05505	12.0
69.03432	20.4
69.07072	6.3
69.60489	10.0
71.04985	35.1
73.02916	15.0
76.93021	3.4
79.05492	13.3
81.07056	35.4
83.08640	4.4
85.02905	44.4
85.06501	3.3
87.04478	9.6
91.05480	17.9
93.07034	38.0
95.04931	5.0
95.08607	40.7
97.02901	23.0
97.06522	4.5
97.10166	6.0
99.08116	7.6
101.18044	3.0
105.07032	52.8
107.04955	6.9
107.08591	35.7
109.10166	16.5
115.03951	30.0
119.08585	18.1
121.06511	4.3
121.10136	22.1
123.11704	12.4
125.09618	23.1
127.03926	11.4
127.11206	7.0
128.52097	3.6
131.08580	10.1
133.04953	17.8
133.10124	85.4
135.11665	6.7
137.06012	4.8
139.11281	3.4
143.10667	47.5
145.04932	16.5
145.10124	17.0
147.11659	21.7
147.12701	3.4
149.13272	23.8
151.11176	6.8
155.10696	4.0
159.11687	18.4
161.13290	8.1
163.06044	8.2
165.05466	4.9
167.14305	79.2
167.15695	4.8
169.12195	3.3
173.13307	11.5
201.16406	21.0
219.17441	100.0
220.17842	5.4
237.14838	11.2
237.18465	22.2
263.09079	3.5
374.93912	3.0
434.15073	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	434.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83839	1.4
52.85968	1.3
53.03954	1.8
53.21253	1.4
54.33653	1.4
55.05508	21.3
61.02914	1.7
67.05515	8.3
69.03419	2.7
69.07069	16.1
71.04989	2.5
79.05486	8.6
81.03406	1.9
81.07058	21.9
82.85784	1.6
83.04976	2.8
83.08638	4.5
85.02918	7.8
85.06528	2.6
91.05461	9.6
92.20685	1.5
93.07041	32.9
95.04980	4.7
95.08601	15.6
97.02903	2.0
97.06545	4.2
97.10185	2.8
98.22620	2.7
98.88808	1.6
99.04462	1.8
105.07018	15.7
107.04930	4.0
107.08596	23.1
109.06516	28.5
109.10160	11.6
111.11724	2.7
117.07039	4.3
119.08583	15.3
121.06561	2.8
121.10138	30.9
123.11698	5.1
124.43264	1.5
127.07557	2.5
131.08572	4.4
133.10124	8.1
135.11690	32.8
137.09622	4.0
139.11214	4.5
145.10098	14.2
147.11705	4.8
149.05992	1.6
149.13263	3.2
151.11223	3.5
153.01770	2.6
154.02176	2.2
155.10718	2.0
159.11668	11.1
161.13260	6.0
163.11186	2.9
167.06984	7.9
167.66046	1.6
173.13272	2.2
175.14941	2.9
177.05455	1.6
177.16428	2.7
181.04971	9.2
201.16389	11.4
209.08112	2.8
219.17465	20.6
223.11859	1.4
233.08052	3.8
237.18393	4.3
263.09042	1.4
271.06003	46.9
272.06342	100.0
273.06479	5.0
280.96008	1.4
376.39548	1.5
399.14200	1.7
417.15341	4.6
434.25531	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	434.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33271	2.1
55.05509	10.9
57.03431	5.3
57.07078	3.6
58.39949	2.4
59.05005	2.5
67.05492	8.6
68.30717	2.3
69.03428	12.6
69.07065	6.7
71.04984	18.4
73.02917	3.6
73.18135	2.5
77.03928	2.4
79.05514	13.1
81.07044	31.4
83.04954	3.2
83.08588	5.2
85.02911	24.1
85.06550	2.8
86.09730	4.5
91.05479	14.4
93.07043	37.4
95.04954	4.6
95.08611	31.3
97.02886	9.1
97.06514	6.6
97.10125	2.5
100.11234	5.8
103.05463	31.1
105.07030	41.8
107.04910	3.7
107.08611	25.1
109.02892	3.1
109.06510	4.5
109.10183	13.6
111.08088	3.1
115.03912	6.5
117.07005	6.9
119.08593	25.2
121.06458	4.8
121.10143	17.7
123.08064	7.1
123.11738	13.2
125.09641	8.8
127.03914	4.6
127.11189	8.7
131.04916	14.9
131.08548	11.1
133.04956	2.9
133.10126	51.6
135.08078	3.2
135.11705	8.7
135.65230	2.5
137.06013	2.9
137.09598	6.4
143.10667	10.1
145.04967	8.2
145.10135	15.9
147.11700	19.9
149.06001	2.6
149.13229	14.7
151.11163	7.3
155.10713	5.3
159.04436	28.3
159.11702	23.2
161.05960	18.9
161.09637	3.8
161.13264	12.8
163.03926	3.1
163.06088	2.8
163.07413	3.1
163.11162	8.2
165.68881	2.5
167.14316	38.3
173.13255	6.8
175.04030	3.2
175.07391	2.5
175.14908	3.8
177.05473	30.9
177.12743	2.7
177.16171	2.6
189.05469	2.6
189.09070	7.0
191.05286	3.9
191.07025	61.1
191.14401	4.2
191.17902	7.1
201.16386	27.6
203.17885	3.2
207.10194	21.2
219.13864	6.6
219.17432	90.8
220.17793	4.0
237.07573	100.0
237.14784	4.5
237.18501	23.4
238.07864	5.9
255.08372	2.7
435.33264	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	434.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.9
57.07069	0.6
59.04995	0.6
61.75527	0.4
67.05502	1.6
69.03418	0.8
69.07059	1.2
71.04988	4.4
73.06544	0.7
78.99193	0.5
79.05500	2.2
81.07055	3.6
83.04984	0.6
83.08603	0.8
85.02893	2.2
85.06513	0.4
91.05457	2.3
93.07047	3.4
95.04957	0.8
95.08601	4.2
97.02854	0.5
97.06527	0.9
98.23516	1.0
99.08096	0.9
105.07035	5.0
106.07362	0.5
107.04928	0.6
107.08584	3.2
109.06513	0.7
109.10143	2.2
115.03876	0.5
117.06965	0.5
119.04924	1.6
119.08573	1.2
120.05233	0.6
120.08170	0.4
121.02881	0.5
121.10165	2.6
123.08069	0.6
123.11692	1.3
125.09643	3.2
127.03867	0.6
127.11185	0.9
131.08542	1.6
133.10123	10.1
135.11656	0.7
137.05951	1.0
139.07533	0.5
139.11171	0.7
143.10675	6.2
145.04948	0.4
145.10075	2.2
147.11688	2.0
149.13240	2.9
151.11163	1.1
153.01823	3.8
154.02191	2.0
155.10585	0.5
159.11641	1.8
159.91908	0.3
161.05931	0.6
161.13194	1.0
163.03925	0.5
164.04318	0.4
164.40935	0.4
167.07121	0.4
167.14333	9.5
169.12378	0.5
201.16412	2.2
205.84740	0.4
219.17441	11.7
220.17876	0.6
235.06850	0.5
237.14803	0.6
237.18539	3.8
247.34337	0.5
271.06009	42.1
272.06348	100.0
273.06573	5.1
325.68802	0.4
434.11557	1.4
434.16684	0.8
434.21832	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.6
54.06604	3.1
55.05506	8.2
56.99416	2.7
57.03426	10.2
57.07078	3.8
59.04977	4.9
60.81020	3.0
61.02908	6.2
67.05500	9.0
69.03422	28.7
69.07056	11.5
70.33622	6.2
70.42775	3.2
71.04990	31.6
73.02908	11.7
73.06545	3.3
78.79977	2.8
79.05486	20.9
81.03413	2.9
81.07051	38.0
83.08629	4.7
85.02901	49.5
87.04466	13.3
91.03961	3.0
91.05485	17.6
93.07040	33.0
95.04948	6.4
95.08601	37.5
97.02888	25.2
97.06541	5.5
97.10133	4.3
99.08092	8.4
103.42834	2.7
105.07025	49.4
107.04956	11.9
107.08598	31.2
109.02897	4.3
109.06510	7.8
109.10144	21.1
115.03929	26.5
117.06976	3.3
119.08601	16.2
120.42916	2.4
121.10149	18.1
123.11714	12.0
125.09626	27.2
127.03921	13.2
127.07571	4.8
127.11192	7.1
131.08580	11.9
133.04965	20.3
133.10127	100.0
135.11668	4.1
137.05962	6.2
143.10680	41.9
144.09328	3.4
145.04912	19.3
145.10155	16.9
147.11673	25.1
149.13258	26.1
150.07635	5.8
151.03831	3.0
151.11142	11.4
155.10577	4.3
159.11664	14.2
161.13257	7.4
163.06058	12.0
165.05478	11.0
167.14311	61.4
173.13254	10.0
177.16315	3.8
201.16478	18.4
209.08189	3.5
219.14029	4.9
219.17430	94.0
219.19481	6.5
227.09058	4.0
233.08209	3.2
237.14760	14.6
237.18434	26.0
331.31131	3.1
434.14951	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	434.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80499	1.2
55.05510	10.9
57.07073	3.9
59.05002	3.6
67.05513	7.8
69.03421	3.8
69.07069	8.7
70.65390	2.3
71.04997	34.5
73.06537	2.7
74.44836	1.3
79.05490	15.8
81.07061	29.4
83.05000	1.9
83.08627	6.0
85.02903	6.7
85.06526	3.1
91.05484	16.0
91.32013	1.2
93.06467	1.3
93.07045	26.2
95.04954	3.1
95.08022	2.5
95.08614	36.4
97.02915	1.8
97.06540	4.0
97.10162	4.3
99.08084	9.1
105.07037	40.6
106.43602	1.3
107.08597	32.1
109.06520	2.7
109.10152	20.1
111.08105	2.1
117.07027	3.1
119.08591	16.9
121.06524	2.1
121.10143	20.7
123.08059	2.1
123.11721	8.5
125.09630	31.6
127.07552	4.9
127.11214	7.6
131.08575	8.8
133.10133	90.8
134.10439	2.4
135.11693	5.1
139.11188	2.2
143.10683	52.7
145.04962	1.7
145.10149	13.3
147.11684	15.0
149.13258	24.9
151.11189	8.0
153.01791	1.7
155.10655	2.4
159.11678	9.7
161.13239	6.7
165.12665	1.2
167.14322	88.3
168.14645	2.2
169.12247	5.4
173.13339	1.3
177.12657	2.0
177.16351	1.5
191.18045	1.4
201.16415	15.4
219.17445	100.0
220.17783	3.7
237.18497	20.8
271.06024	18.0
272.06354	42.6
273.06522	1.3
388.12354	1.4
434.25476	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1263
Annotation	3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone
Peak:m/z	Relative Intensity
50.75119	1.0
56.17584	1.2
57.32198	0.9
58.44874	1.0
69.89502	3.7
69.95897	1.0
85.02909	1.2
86.07130	1.0
162.21812	1.0
163.06024	1.4
229.03033	1.3
303.33994	1.2
307.46735	1.3
434.37207	1.4
435.08188	4.3
435.12607	100.0
436.12875	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	435.1268
Annotation	3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone
Peak:m/z	Relative Intensity
53.14478	1.4
55.88134	1.1
56.96561	2.4
61.02931	1.5
69.48138	5.5
69.84594	1.2
72.08139	1.4
83.35838	1.2
85.67941	1.4
89.25941	1.6
91.44492	1.5
92.13928	1.3
98.96970	2.2
98.97585	20.5
107.04941	4.0
109.02852	1.5
116.98586	3.2
120.08081	2.5
124.99136	1.6
131.00203	1.7
143.00139	2.5
158.99672	3.6
161.01224	3.8
163.03960	1.6
168.14500	1.3
170.99617	2.9
171.05031	1.7
177.00748	1.9
182.99724	3.1
189.00687	1.7
201.00732	3.6
209.37053	1.3
219.01801	3.8
231.01828	1.4
249.02837	7.3
291.03897	17.9
375.05087	1.8
375.09546	2.2
393.10568	2.3
417.10870	1.8
435.12592	100.0
435.29224	3.0
436.12790	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	435.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01866	1.3
55.05521	1.1
59.37037	1.1
67.05507	2.3
67.05872	1.0
68.99775	1.1
69.07067	2.5
69.43781	3.2
73.32146	1.1
79.05495	4.5
80.05027	2.3
81.07056	4.4
83.04974	1.3
85.02927	2.2
91.05479	6.2
93.03397	1.5
93.05798	4.3
93.07034	4.1
94.06569	4.3
95.04958	2.6
95.08624	3.6
98.23483	1.3
104.05009	2.2
105.07026	4.1
106.04163	2.4
107.04978	3.8
107.08620	3.4
108.08123	18.1
109.10140	2.4
117.07074	1.6
119.05010	1.0
119.08615	2.5
120.08141	2.6
120.08909	1.0
121.06529	3.5
121.10155	2.9
122.06010	3.7
123.04432	2.4
123.08139	1.1
124.05273	1.1
124.07678	1.1
125.06004	1.4
131.04929	1.1
131.07330	1.6
131.08432	1.1
132.04416	9.2
133.06439	2.3
133.10121	3.1
135.08011	1.2
135.11703	2.0
136.07562	48.8
137.06003	2.5
138.09122	1.1
144.08090	2.4
145.10123	1.3
147.04430	1.5
147.11691	1.4
148.07588	1.3
149.05948	5.1
150.05479	2.1
152.07106	1.8
156.08136	2.5
158.09642	1.9
159.11794	1.7
160.03943	5.6
162.05557	2.7
163.07545	1.4
164.07094	6.5
167.07062	19.2
168.08076	1.8
169.07616	1.9
170.08334	2.1
172.07509	2.6
173.08331	1.4
174.09126	2.6
176.10724	2.0
177.05489	3.2
178.04953	1.6
180.06682	2.6
181.04951	6.7
181.08714	1.8
182.08423	3.9
183.09196	7.0
184.07634	2.7
186.09180	1.5
190.04932	2.7
191.07060	1.4
192.06604	1.8
193.07611	3.8
194.08348	3.1
195.09251	5.4
196.09927	3.0
197.10699	5.4
199.08572	2.4
202.08621	1.7
204.10191	2.8
207.06694	1.4
208.06235	2.4
208.09904	1.8
209.08333	7.1
209.10678	6.2
210.07764	7.8
211.08655	8.5
212.09441	4.3
213.10298	3.3
219.17464	2.1
220.17795	1.3
222.07806	3.6
223.08597	7.2
224.09380	6.3
225.06496	5.1
225.10165	7.7
227.08192	2.1
227.11792	4.6
229.09644	2.1
231.11285	4.2
233.08124	1.4
234.08005	1.1
234.11237	3.4
235.08859	1.7
236.09631	2.2
237.10179	11.0
238.07347	3.8
239.08144	4.8
240.08998	1.5
241.09686	12.2
242.10555	7.4
243.11301	2.8
244.12068	2.2
250.07289	3.2
251.08078	6.2
252.08961	4.0
253.09648	8.2
254.10347	2.6
255.11279	12.1
256.08438	4.5
257.09143	5.5
259.10773	39.7
259.14392	4.5
263.08163	4.1
264.08871	2.2
265.09760	12.6
266.06894	1.9
267.07480	1.6
269.09244	6.2
269.12631	2.2
271.06036	9.3
271.10587	2.3
272.06256	8.3
273.06531	14.4
273.12204	1.6
279.07657	7.4
280.08408	16.1
281.09213	7.4
283.10757	16.0
284.11172	1.2
287.10236	8.2
287.13885	6.2
293.09109	8.0
295.10870	1.6
297.08578	3.1
297.12396	4.0
300.10870	2.0
308.07843	2.9
309.08737	4.1
311.10214	49.7
312.10803	4.6
313.11722	1.3
315.13367	16.0
321.08563	9.2
323.10541	1.3
325.11819	10.1
339.09741	41.1
340.10330	3.6
343.12817	31.5
344.13211	1.7
353.11310	7.4
357.14404	1.9
371.12335	100.0
372.12787	5.9
375.15488	4.2
385.13855	8.7
389.13068	1.2
403.14999	80.6
404.15274	6.7
407.18423	1.2
417.15662	4.1
435.17468	8.4
436.17459	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.05513	1.9
67.05502	6.9
69.03426	1.7
69.07063	2.3
70.37197	2.7
71.04984	3.0
71.45756	1.5
79.05496	5.7
81.07031	9.3
83.08586	2.0
85.02901	5.0
90.91605	1.6
91.05462	9.1
93.03375	2.1
93.05790	6.2
93.07038	6.3
94.06562	4.9
95.04960	4.4
95.08619	6.5
97.06551	3.0
103.05427	2.7
105.07029	7.3
106.04173	3.6
107.04907	1.8
107.07270	1.8
107.08588	6.3
108.08126	22.3
109.06488	1.6
109.10142	2.5
115.05461	1.9
118.06531	1.9
119.08570	5.4
120.08141	4.0
121.06516	5.6
121.10130	2.5
123.11687	2.0
125.05916	2.0
129.07001	1.9
131.04895	2.3
132.04469	14.5
132.08116	2.4
133.10141	7.2
134.10461	3.1
135.11739	2.3
136.07571	54.1
137.05942	2.9
142.05106	1.9
143.10712	2.8
144.08089	3.1
144.11035	2.1
145.10092	3.6
146.02313	2.0
146.10582	1.7
147.33928	1.8
148.07567	3.6
149.05971	6.6
149.13322	2.6
150.05527	1.7
151.07503	2.0
152.07069	2.1
153.09099	2.8
158.09668	2.6
159.11641	2.5
160.03941	5.5
160.06491	1.8
161.13162	2.3
162.09048	1.6
163.07532	2.4
164.07082	8.3
167.07069	6.5
172.07553	4.1
174.09129	4.1
176.07062	4.3
177.05424	2.3
178.05002	4.3
180.06631	3.4
181.04996	5.5
181.08731	3.4
182.08331	3.5
183.09227	5.9
184.09944	2.0
190.05046	2.3
191.07034	5.0
192.06551	3.0
193.07684	3.3
194.08266	2.2
195.09169	3.1
196.09914	2.6
197.06946	2.9
197.10788	4.7
199.08766	1.9
201.16382	2.7
202.08571	1.7
204.10207	2.9
207.06583	1.9
208.06258	4.9
209.08020	7.0
209.10745	7.4
210.07661	10.0
211.08638	9.4
212.09410	4.7
213.10245	2.1
219.17412	3.2
220.17749	4.9
221.15450	2.9
222.07796	3.2
223.08667	6.9
224.09421	7.3
225.06586	7.5
225.10150	7.9
227.08122	3.6
231.11273	4.3
234.11313	2.6
235.08693	2.1
236.09311	3.2
237.10135	12.1
239.08151	5.0
239.11694	2.7
240.08929	2.6
241.09705	13.7
242.10464	7.8
243.10983	2.3
250.07097	4.0
251.08145	10.3
252.08893	5.6
253.09660	7.7
254.10507	3.1
255.11304	16.4
256.08493	2.9
256.11856	3.1
257.09134	3.5
259.10788	42.3
259.14395	6.1
260.11026	2.7
263.08185	5.0
264.09122	3.3
265.09735	14.5
269.09229	6.2
269.12524	1.6
271.05981	14.6
271.10669	1.9
272.06403	14.5
273.06528	24.6
273.12018	1.8
279.07645	7.5
280.08401	15.2
281.09235	6.3
282.09875	2.2
283.10770	15.9
287.10294	5.9
287.13913	9.0
293.09241	11.1
297.08737	2.9
297.12253	3.0
308.07907	3.4
309.08737	3.6
311.10211	55.9
312.10776	4.9
315.13339	18.7
321.08633	9.2
325.11725	8.1
339.09781	39.4
340.10190	3.8
343.12869	29.0
353.11212	7.7
371.12350	100.0
372.12650	5.0
373.21683	1.7
375.15482	4.7
385.13943	10.7
391.12790	1.8
403.14981	71.9
404.15302	4.3
435.18335	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	435.184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16021	0.2
69.03426	0.4
69.53647	0.3
69.53982	1.0
70.06592	0.4
76.39774	0.2
78.33466	0.2
79.05510	0.3
81.07061	0.5
85.02886	0.6
91.05473	0.3
93.07056	0.7
95.08612	0.5
97.02898	0.4
105.07032	0.5
107.08591	0.6
110.06052	0.8
111.06365	0.3
119.08559	0.4
121.10146	0.8
133.10123	1.1
137.05977	0.5
142.43387	0.3
147.04427	0.6
153.01825	0.8
159.11703	0.4
161.05989	0.3
163.03864	0.4
164.04378	0.3
166.52724	0.3
167.06978	0.3
179.07024	0.4
203.30067	0.3
207.06467	0.4
219.17441	0.7
237.18431	0.6
273.07501	0.4
287.16940	0.3
303.14154	4.2
303.78229	0.3
392.98309	0.3
427.35898	0.3
435.18378	100.0
436.18759	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	435.1837
Annotation	Lonchocarpic acid
Peak:m/z	Relative Intensity
51.37963	0.3
57.03448	0.3
63.12738	0.3
69.14650	0.3
70.06585	0.4
71.04980	0.4
81.07074	0.5
85.02883	0.8
87.04498	0.3
91.05479	0.6
92.08665	0.3
93.07037	0.5
95.04975	0.3
95.08624	0.3
95.84566	0.3
105.07005	0.6
107.04954	0.4
109.02834	0.3
109.06523	0.3
109.10210	0.4
110.06038	0.9
119.08566	0.3
121.10147	1.1
125.09636	0.5
127.11227	0.5
133.10117	1.4
137.05963	0.7
145.10107	0.4
147.04416	0.3
151.11147	0.5
153.01790	0.5
163.03926	0.5
163.07620	0.3
179.06908	0.4
189.16335	0.6
201.16443	0.3
207.06557	0.6
219.17459	0.8
237.18459	0.6
251.51915	0.3
252.60677	0.3
303.14133	3.4
349.33954	0.3
435.18362	100.0
436.18741	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	435.2591
Annotation	Dictamnoside I
Peak:m/z	Relative Intensity
51.50416	1.8
55.05513	20.3
57.03434	3.8
58.84778	2.2
67.05502	3.9
69.03404	5.8
69.78858	7.1
71.04997	9.0
78.14603	2.2
79.05499	5.0
81.07047	11.5
83.04984	15.9
85.02905	5.8
87.04452	2.9
91.05496	6.5
93.07042	9.9
95.04964	7.2
95.08598	5.3
97.02864	2.8
97.06560	2.2
98.22781	3.0
99.08097	2.6
102.23763	2.1
105.07026	9.8
107.04953	4.2
107.08599	9.2
109.10162	8.3
111.08065	4.5
115.03920	5.2
117.07053	3.6
119.08585	4.3
121.10136	19.2
123.08082	3.3
123.11695	3.3
125.09613	3.8
127.11168	4.5
129.07016	2.9
131.08540	4.8
133.04944	4.7
133.10127	24.6
135.08073	3.1
135.11685	6.7
137.05954	2.5
139.11160	7.5
145.10117	8.4
147.04375	3.2
147.11668	5.6
149.06009	2.2
149.13232	5.8
151.11186	9.6
153.01813	3.7
153.12666	4.5
154.55811	2.1
159.11702	7.7
163.11221	4.8
166.06108	2.3
167.07010	12.4
178.51588	2.0
181.04868	2.3
181.08548	4.9
189.09119	3.5
193.72429	1.8
201.16370	9.3
219.17508	15.3
220.17592	3.1
237.18475	100.0
238.18771	3.9
273.07529	6.4
285.11063	2.3
295.82590	2.4
302.20370	2.3
360.15454	4.0
361.16406	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	435.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.2
56.39716	0.6
56.96556	0.8
69.47526	2.5
69.47894	1.4
81.07044	1.0
82.91500	0.8
85.52355	0.7
91.05502	0.6
93.07042	0.9
93.98429	0.7
94.34612	0.8
95.08591	1.1
98.98421	1.2
107.08604	0.8
109.06506	1.3
109.10182	0.7
119.08560	0.8
122.68107	0.7
127.11201	1.0
145.10110	0.8
167.10693	0.9
182.33444	0.8
221.11502	11.6
237.14697	1.6
272.06326	0.9
273.06580	1.6
323.29358	0.8
335.18271	100.0
336.18585	4.6
337.26477	1.1
352.18799	1.1
394.34653	0.8
403.21603	0.9
435.25378	5.5
435.30856	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	435.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	5.2
55.29857	1.0
57.07079	1.9
65.97181	1.0
67.05502	8.6
69.03436	1.3
69.07077	6.8
79.05486	8.8
81.07046	16.6
83.08612	3.3
86.09700	1.3
91.05470	13.8
93.07044	20.5
95.04955	2.3
95.08615	20.6
97.10174	2.1
105.07027	21.7
107.04961	1.5
107.08597	30.8
109.06532	4.3
109.10159	8.4
111.08070	1.4
112.55544	1.2
115.05393	1.6
117.07021	5.1
119.08581	39.3
121.06519	6.5
121.10143	18.9
121.30770	1.2
123.08090	1.6
123.11745	2.3
128.06203	1.6
129.07005	4.1
130.07819	2.1
131.08565	17.1
131.15308	1.1
133.10144	18.8
135.08076	7.5
135.11681	8.7
136.19328	1.3
137.09668	2.3
137.13274	1.7
138.05524	1.5
141.06947	3.0
142.07767	3.7
143.08577	12.3
144.09311	2.3
145.10126	22.9
147.08035	4.7
147.11708	12.8
149.09599	4.5
149.13222	6.3
153.09093	1.9
155.08586	5.9
156.09340	4.8
157.10135	15.5
158.10817	2.0
159.08017	2.4
159.11696	23.4
161.09601	10.5
161.13216	8.4
163.11133	2.3
163.14807	18.5
167.08549	2.0
169.10075	7.9
170.10931	8.8
171.08121	3.0
171.11670	26.3
172.12413	1.4
173.09637	4.5
173.13226	14.0
173.14372	1.3
175.11194	6.6
175.14818	11.0
177.12773	2.2
177.16376	11.9
179.08463	1.2
180.09111	1.3
181.10092	2.5
181.12251	1.3
182.10971	2.0
183.11693	10.0
185.09584	4.3
185.13246	37.4
186.13576	1.9
187.11191	5.2
187.14792	11.3
189.12761	3.2
189.16396	5.2
193.10214	2.1
195.11681	3.7
197.13239	8.2
199.11133	3.2
199.14842	6.0
199.16508	1.4
201.12726	8.0
201.16386	5.6
203.14363	5.5
203.17963	3.3
205.15840	4.7
207.11629	3.4
209.13312	5.4
211.14856	5.1
213.12784	7.2
213.16377	4.0
215.14352	7.0
215.17995	3.4
219.17545	1.7
221.13260	3.1
221.15311	2.0
223.11308	1.4
223.14832	2.7
225.12791	1.9
225.16286	2.9
227.14250	3.4
227.17946	3.8
229.15775	2.2
229.19508	3.7
231.17401	1.6
237.16386	2.1
239.14336	2.5
239.17950	3.7
241.15855	2.2
241.19505	2.1
243.17528	2.1
245.15402	1.7
251.17812	1.8
253.19572	4.3
255.21225	2.5
257.18964	2.3
259.16901	1.3
263.17926	1.8
265.19571	2.2
267.17404	4.8
267.20776	1.6
267.26193	1.3
271.05975	1.6
272.06320	1.9
272.20276	1.3
273.06573	3.0
275.20282	1.8
281.19125	1.8
285.18188	1.6
293.18936	2.9
299.20282	1.9
301.21771	2.0
319.20715	1.6
333.05997	1.3
361.28955	2.9
365.20810	3.0
371.27411	3.9
389.23544	2.7
389.28400	45.5
390.28671	2.0
407.29477	16.9
417.27823	14.5
417.81174	1.5
435.23923	4.1
435.28922	100.0
436.29276	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	436.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42535	0.4
57.03436	3.3
58.21708	0.4
59.05001	0.5
63.84750	0.5
68.04984	0.5
69.03431	12.8
69.25291	0.8
69.25706	2.0
71.01346	0.7
71.22939	0.5
73.02927	0.6
73.80725	0.5
74.88041	0.6
75.04491	0.6
77.03939	0.6
79.05502	3.1
81.03413	0.9
81.07019	0.5
85.02903	6.8
86.00494	0.5
87.03991	0.6
87.04478	7.0
91.05481	0.7
95.04956	2.0
95.06065	0.9
97.02884	10.0
103.03952	1.3
105.07024	0.5
106.06583	0.6
107.04955	100.0
108.05265	1.5
113.07114	3.1
113.32360	0.5
115.03930	12.6
119.04957	1.5
121.06516	1.6
123.04482	0.9
124.07521	0.6
127.03891	1.3
131.04950	5.4
133.04974	11.7
133.06490	0.6
135.04420	0.9
145.04968	2.4
145.06477	0.7
149.06032	2.6
150.07628	2.0
157.06387	0.5
161.05971	0.9
163.03925	1.1
165.05490	1.5
173.05989	3.4
177.05482	0.8
177.09129	6.0
178.11763	0.5
191.07053	6.4
203.07057	0.9
209.08145	0.9
221.11668	1.0
228.12628	1.4
229.13239	0.6
239.09178	1.9
241.06909	0.5
257.12897	1.8
259.08118	0.9
275.13879	1.5
295.10229	2.2
419.18057	0.6
436.19482	1.5
437.19104	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.01876	0.7
57.03436	3.5
60.04531	0.7
61.02928	0.7
67.31677	0.4
69.03434	12.2
70.47832	0.4
70.77511	0.7
73.02948	0.7
77.03925	1.1
79.05489	3.9
81.03410	0.9
85.02906	9.0
87.04467	6.6
88.14329	0.4
91.03942	0.7
95.04980	2.2
97.02897	9.2
97.58983	0.4
99.04439	0.5
103.03952	1.8
105.04539	0.9
107.04956	100.0
108.05288	1.5
115.03931	11.7
115.40853	0.4
116.04322	0.6
118.90756	0.5
119.04961	1.2
121.06506	1.4
123.04440	1.0
127.03909	1.0
131.04929	5.6
133.04973	12.3
145.05023	2.1
145.06470	1.0
149.05963	1.6
150.07631	1.8
154.44795	0.5
161.05988	1.4
169.04988	0.5
173.05991	4.2
177.09120	1.7
191.07027	5.2
221.08238	0.5
222.46982	0.5
239.09204	1.4
241.07088	0.4
259.08185	0.7
269.10181	0.6
274.96268	0.5
295.10278	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.8
53.46309	0.9
55.01863	1.5
57.03435	5.1
59.04981	0.9
69.03072	1.3
69.03430	20.6
70.06578	1.2
70.77679	0.8
73.02907	0.9
75.04454	0.9
77.03915	1.0
79.05476	4.2
80.05012	1.5
81.05795	3.1
81.07049	2.1
83.05026	0.9
84.08136	1.3
85.02905	17.2
87.04468	16.4
87.04884	0.4
87.04997	0.7
91.05456	0.9
92.15754	0.7
95.04970	2.0
96.08133	12.3
97.02888	16.6
97.06467	0.9
97.24115	0.6
99.04452	0.7
100.66538	0.7
105.07024	1.7
106.06549	2.1
107.04254	1.3
107.04952	20.9
109.02890	1.3
109.06517	1.1
111.04411	1.3
115.03930	22.3
121.06516	6.6
123.04436	1.3
123.85921	0.8
124.07590	100.0
125.07934	2.1
125.09643	0.8
127.03925	2.1
131.04884	2.3
133.04967	27.1
133.06516	3.0
135.99651	0.7
137.05995	1.9
142.08649	1.5
143.35760	0.9
145.04887	3.7
145.06459	2.5
147.07994	0.8
149.05991	6.5
150.07629	4.6
151.03999	1.0
161.05983	2.6
163.03918	2.6
163.06093	1.0
163.07509	1.1
164.03401	2.6
165.05470	2.2
167.07050	2.9
173.05952	1.6
175.07487	2.8
177.05432	1.0
187.07594	0.8
191.07013	3.0
193.08638	3.6
198.40108	0.9
203.06958	1.8
215.07005	1.5
221.03052	1.1
221.08086	2.5
227.13831	0.8
233.08083	2.1
239.09140	2.4
239.12784	1.1
241.07076	0.8
251.09224	2.0
256.11722	1.2
259.08090	1.2
274.31918	0.8
275.13950	1.5
295.10153	1.4
304.14127	1.3
325.08621	0.7
362.53879	0.8
417.22333	0.9
436.19220	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	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
57.03431	6.0
60.36657	0.7
61.02917	1.2
61.95783	0.8
62.06097	0.8
67.73444	0.8
69.03425	1.8
69.11934	4.7
70.06596	0.8
70.50080	0.6
72.08176	0.7
73.02917	0.8
75.04470	3.1
79.05492	2.6
81.03409	1.0
84.08120	1.2
85.02895	5.8
91.05484	3.0
93.07013	0.8
95.04975	0.9
97.02917	1.8
103.05473	1.9
105.07030	25.9
107.04962	3.3
107.08636	0.8
109.02869	1.1
109.06548	1.2
117.07011	0.8
120.08062	1.0
121.06522	0.8
122.03603	1.5
125.11434	0.6
133.06488	58.3
134.06842	1.7
137.05975	100.0
138.06306	1.8
151.07555	1.0
161.09625	1.0
163.07520	5.1
164.06969	1.4
165.09111	36.1
166.09494	1.0
175.07539	3.0
175.11192	0.9
177.05467	0.7
177.09123	2.0
181.08575	2.5
183.10167	24.9
190.08615	1.4
203.10703	2.5
208.09749	2.9
209.11688	0.9
221.11694	4.1
239.12939	3.3
257.13831	56.9
258.14160	2.6
260.19025	0.7
362.09869	1.4
376.19321	0.7
436.19531	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.6
55.05507	4.3
57.03421	1.4
65.03928	0.9
67.05505	5.6
69.03430	1.3
69.07062	2.7
70.06544	0.7
70.56905	1.2
71.04985	0.7
79.05486	6.1
81.03403	2.6
81.07043	7.3
83.01340	0.8
83.04962	1.9
83.08616	2.0
85.02886	1.2
87.50210	0.8
91.05476	6.7
93.03441	1.0
93.07044	3.9
95.01326	3.0
95.04961	3.1
95.08592	3.1
96.08940	0.7
97.02905	1.5
97.06536	1.3
97.10133	1.8
98.22764	0.9
105.03378	0.7
105.07040	4.0
107.04931	3.2
107.08584	2.9
109.02819	1.2
109.06525	1.5
109.10162	2.2
115.05533	0.8
117.07013	3.2
118.44928	0.7
119.04945	2.0
119.08572	3.3
121.06492	2.5
121.10126	1.6
123.04414	2.2
123.11688	1.1
125.02309	1.2
127.03868	0.9
129.07039	4.2
131.04909	2.7
131.08575	3.5
133.06459	2.9
133.10092	3.0
135.04391	2.7
135.11755	1.2
137.09665	0.7
139.03899	1.2
141.06960	2.0
143.08533	1.7
145.06470	2.5
145.10115	2.1
147.04424	2.0
147.08037	1.2
147.11652	1.8
149.02322	1.8
149.06004	1.2
149.09538	0.8
151.03914	2.0
153.01802	1.3
155.08549	1.8
157.06502	2.2
157.10114	2.1
159.04379	2.2
159.08023	1.4
159.11708	1.3
159.13026	0.8
160.54027	0.7
161.02312	1.0
161.05978	2.4
161.09586	1.1
162.57555	0.7
163.03932	2.7
164.07117	1.1
165.01855	1.3
165.05530	0.9
167.07042	1.7
167.08493	1.2
168.07347	0.8
169.06499	0.7
169.10107	1.6
171.08049	1.2
171.11633	1.7
173.05994	3.1
173.09709	1.0
173.13235	0.9
175.03929	3.5
175.07458	0.8
175.11148	1.7
177.05476	1.7
177.12679	1.0
181.04936	1.1
181.06532	0.9
181.10115	1.3
182.05246	1.0
183.11646	0.9
185.05989	1.0
185.09622	1.7
185.13228	1.3
185.22704	0.7
187.03873	1.8
187.07436	1.2
187.11145	2.0
189.05449	3.0
195.08038	1.2
197.04483	1.1
197.09521	1.3
199.11081	1.3
201.05452	1.7
203.07004	1.0
205.05032	1.0
205.12288	1.3
209.09705	1.5
213.09018	0.9
213.12717	2.5
215.10612	1.3
217.05002	2.1
217.12148	1.0
221.04416	7.6
223.11096	1.6
225.09013	1.6
227.10667	2.2
229.08449	0.8
231.10197	1.0
233.11583	4.8
235.05972	2.1
241.12218	3.0
243.10136	1.8
243.13950	0.9
245.11752	0.9
251.10695	2.5
255.10178	1.3
259.09698	0.9
259.13275	2.6
261.11288	1.6
269.11703	4.6
271.09644	1.0
273.10904	0.9
277.10617	2.4
279.10144	1.4
287.12759	7.2
289.14294	1.0
297.11172	3.6
305.13773	3.2
315.12183	15.7
333.13303	100.0
334.13757	5.5
351.14371	42.2
352.14563	2.1
369.15445	5.5
436.20187	1.3
437.21286	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	436.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05236	1.8
55.05499	10.1
57.07052	2.2
67.05495	6.1
69.07073	10.9
70.30952	4.2
71.04990	19.0
73.06570	2.5
77.03959	2.1
79.05495	17.4
81.07056	83.7
83.08614	3.8
85.02916	3.5
91.05485	12.2
93.07057	30.6
95.08599	24.3
97.06471	2.6
99.08103	4.3
100.02630	2.0
105.07030	30.3
107.08591	40.0
107.09267	3.8
108.08939	2.9
108.85649	1.8
109.10147	27.7
112.71848	1.8
113.09639	2.0
119.08583	62.9
121.10104	10.2
123.11704	17.6
125.09631	5.7
127.11191	21.7
131.08560	2.5
133.10136	40.0
135.11690	100.0
136.12059	2.7
137.09633	2.4
137.13264	4.5
143.10666	20.9
145.10132	2.1
147.11670	23.5
149.13252	5.8
150.51001	1.8
151.14809	2.0
153.12753	3.7
161.13261	16.9
163.14778	4.7
175.14754	2.4
177.16321	3.0
203.17967	60.5
221.15486	2.2
221.19023	53.6
239.20131	3.2
277.18970	2.8
341.04575	2.4
437.23569	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	436.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.05510	10.2
56.99533	2.9
57.07071	3.8
67.05505	19.0
69.03421	7.1
69.07062	18.1
71.04986	14.4
71.45321	3.4
79.05481	16.9
81.03418	3.5
81.07051	100.0
83.08158	3.4
83.08625	10.3
83.60349	3.1
85.02921	15.9
91.05477	17.3
93.07033	32.0
95.04971	5.1
95.08611	44.1
97.02898	6.8
97.06532	7.4
97.10198	5.4
99.08061	4.2
100.80051	3.0
102.51775	2.7
105.07014	38.7
107.04964	4.3
107.08581	51.8
109.06519	4.1
109.10144	33.4
117.07027	6.9
119.08571	54.1
120.08104	8.1
121.10152	12.7
121.27804	3.3
123.11695	29.6
125.09641	11.0
126.34352	3.3
127.11185	24.1
133.10127	36.7
135.11687	84.1
137.13264	6.4
143.10667	16.8
145.10117	6.9
147.11679	28.9
149.13254	10.7
153.01819	6.9
153.12727	4.6
157.10086	4.2
159.11673	5.8
161.13313	16.6
163.14815	8.3
167.07063	7.6
168.07368	4.8
175.14786	4.8
181.04961	4.4
182.05370	4.9
203.17937	74.1
221.18980	79.8
222.19350	4.6
246.25694	3.2
248.16235	3.3
263.17517	5.8
274.06714	4.5
436.18753	8.3
436.27612	15.0
437.21490	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	436.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.2
55.05508	10.7
59.04998	3.4
67.05497	11.6
69.03433	4.2
69.07071	16.2
70.79105	4.3
71.04995	24.4
72.87460	2.6
76.31268	2.9
79.05489	21.3
81.03394	3.1
81.07056	89.3
82.07394	3.2
83.04961	4.2
83.08619	10.5
85.02897	4.9
85.06557	3.6
86.09698	5.2
91.05497	10.2
93.07050	33.7
95.04961	4.6
95.08610	36.3
96.08934	3.1
97.10150	3.4
99.08111	5.7
103.15347	2.9
105.07034	38.3
106.07365	3.2
106.17957	2.9
107.08599	54.3
108.08918	5.8
109.10146	31.7
111.11712	2.9
117.07083	3.2
119.08579	46.4
120.08894	2.7
121.10155	12.2
123.11689	23.1
125.09644	7.7
127.11205	17.0
131.08527	3.3
133.10132	43.9
134.10446	8.1
135.10960	4.2
135.11697	100.0
136.12016	3.5
137.09618	3.5
137.13254	6.4
143.10646	18.1
145.10175	3.9
147.11697	24.2
149.13264	6.4
153.12740	8.5
159.11734	3.7
161.13281	20.8
163.04028	2.9
163.14839	5.8
167.14273	7.0
168.14702	4.5
169.15111	3.6
175.14853	4.4
177.16432	3.7
203.14459	4.3
203.17957	62.1
219.17462	7.4
220.17712	5.8
220.88107	2.8
221.15416	7.3
221.19041	39.9
239.16400	11.3
239.19926	4.4
248.82971	2.4
272.06436	4.3
273.06653	3.2
274.06595	3.5
332.22076	6.2
372.12827	3.8
404.19431	3.0
404.24139	16.0
436.27545	12.6
437.26727	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	437.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	0.7
63.02378	0.7
66.44346	0.4
69.03416	0.4
69.05059	0.3
71.43629	0.4
77.91034	0.4
79.05492	1.5
83.04977	0.5
89.03915	10.2
94.51106	0.4
95.04958	1.4
97.02878	0.6
98.97590	3.2
101.00877	1.7
106.54028	0.3
107.04964	3.2
107.22196	0.4
110.97507	0.5
116.98611	1.1
117.03381	12.0
117.04205	0.7
118.03706	0.4
119.01917	3.8
119.04971	0.4
120.08067	0.4
121.01754	0.4
121.02876	1.8
127.02428	0.5
131.01910	0.8
135.04408	27.0
136.04779	0.7
137.02977	0.8
139.03911	0.4
139.48509	0.3
143.01921	0.8
145.02797	15.9
147.04308	0.5
155.01863	0.5
157.03476	0.9
161.02977	0.7
161.06613	0.7
163.03899	100.0
164.04224	2.7
169.03490	2.4
171.03087	0.4
171.04967	0.5
173.03111	0.5
177.00903	0.8
177.03964	0.6
179.07623	0.4
185.00714	1.8
185.02924	1.9
185.06584	1.0
187.02992	0.4
187.04536	3.0
189.06000	0.4
191.01999	0.3
195.03247	0.5
195.05096	1.0
196.94476	0.3
197.02924	0.4
203.01912	3.1
203.03964	1.0
203.07584	1.2
205.05461	0.4
209.02960	0.6
209.39981	0.4
211.04568	0.8
214.95439	0.6
215.07669	1.1
219.01913	1.8
221.02957	43.6
222.03108	3.0
229.03670	0.4
229.05637	1.9
232.96356	0.6
233.04958	0.4
239.04025	4.7
240.57355	0.4
243.02057	0.7
245.03014	1.2
247.04510	0.9
255.02110	0.5
257.05139	1.7
259.00024	0.5
259.04694	0.9
263.04053	3.0
271.04507	15.8
272.04697	1.3
273.03278	0.6
273.06024	2.6
275.06119	4.6
277.05966	0.7
287.03989	2.4
289.05493	6.2
290.05927	0.4
293.07025	0.6
295.04352	0.6
297.06122	1.1
299.03964	6.1
305.10687	2.9
307.06522	0.5
313.05399	1.5
316.98712	0.4
317.05161	2.1
323.03973	1.5
323.12006	0.7
331.06638	6.0
332.06744	0.6
341.04935	1.2
346.49268	0.5
349.07736	4.0
359.06152	2.4
377.07169	44.1
378.07339	4.4
395.08228	6.2
396.08542	0.5
419.08340	0.5
419.25189	0.7
437.09171	11.5
437.16068	26.1
437.25757	0.7
438.09619	1.1
438.16519	1.2
455.10095	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09019	0.3
55.19490	0.3
56.96554	0.9
67.05525	0.4
69.03439	0.5
74.66723	0.4
76.68800	0.3
79.05506	0.5
89.03907	3.4
90.93492	0.4
95.04987	0.4
98.97579	3.0
101.00867	0.4
107.04953	1.3
110.97577	0.5
113.70499	0.4
115.07068	0.3
116.98619	1.3
117.03374	3.4
119.01929	1.6
121.01690	0.5
121.02821	0.6
134.99631	0.6
135.04419	7.5
143.01915	0.4
145.02802	5.9
147.04414	0.7
147.98790	0.4
158.99695	1.2
161.03000	0.4
163.03905	36.4
164.04268	1.1
169.03455	1.1
173.03008	0.5
177.00739	0.8
185.01134	0.5
185.02887	1.0
187.04533	0.9
192.81839	0.5
203.02002	0.7
203.07701	0.8
214.95459	0.5
219.01637	0.6
221.02948	14.5
222.03140	1.0
232.96515	0.5
237.02864	1.4
239.04169	1.9
245.02942	0.5
250.98256	0.5
263.03864	0.6
271.04504	5.2
273.06149	1.1
275.06201	1.6
275.11041	1.6
275.50543	0.5
287.04013	0.9
289.05618	2.7
295.04364	0.6
297.06369	0.5
299.03989	1.4
305.11456	1.3
307.07074	0.5
313.05283	0.9
317.05167	0.8
321.08542	0.9
323.03967	0.6
331.06674	1.2
341.05011	0.5
349.07672	1.6
353.00607	0.5
359.05942	0.5
363.25507	0.4
377.07159	18.1
378.07394	1.6
395.02496	0.7
395.08185	2.5
437.09885	4.7
437.16287	100.0
438.10483	0.6
438.16641	5.0
455.10406	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
62.07722	0.6
62.75765	0.6
62.98246	1.0
63.26835	0.6
68.07624	0.6
69.15151	2.7
69.15555	1.4
81.07050	0.8
88.06664	0.5
94.22620	0.6
95.08582	0.6
101.16500	0.6
116.99068	0.5
134.03345	1.3
140.92363	0.6
147.04178	19.9
156.86099	0.6
164.04207	0.7
204.11244	1.9
205.11995	2.2
237.14665	3.3
259.16699	1.8
318.18039	14.4
319.18762	13.4
341.86682	0.6
355.18546	0.7
369.23941	2.2
386.18619	0.6
391.18002	0.7
401.26553	2.0
419.27673	100.0
420.28012	7.4
437.19421	1.4
437.28690	23.1
437.34769	1.1
438.29129	1.4
464.97833	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23701	1.1
55.05517	7.0
57.07063	3.2
67.05504	14.5
69.07063	14.7
69.11656	7.5
79.05489	6.9
81.07056	40.5
83.08624	5.9
89.06020	2.4
91.05464	9.3
93.07041	16.1
95.08604	70.8
96.08967	1.3
97.10186	5.5
98.23428	2.9
105.07030	19.1
107.08601	24.0
109.10162	23.9
117.07016	4.8
119.08575	39.6
121.10133	18.6
123.11700	14.4
125.13237	1.2
128.06279	1.2
129.07007	2.4
131.08548	11.4
133.08582	2.5
133.10127	27.8
135.11678	12.4
137.13260	10.9
143.08551	5.3
145.10123	26.5
147.11699	16.4
149.13239	9.6
151.14801	8.3
153.09138	2.7
155.08389	1.2
157.10097	7.5
159.11678	14.4
160.12462	2.2
161.13269	13.5
163.14833	11.4
169.10191	4.0
171.11710	11.8
173.13281	14.0
175.14804	20.2
177.09151	3.3
177.16382	5.8
183.11697	4.3
185.13255	4.8
187.14813	6.1
189.16380	23.2
191.17926	15.7
195.11703	1.2
197.13307	3.8
199.14815	6.3
201.16376	36.0
202.96475	1.3
203.17944	39.0
205.19560	2.0
211.14723	2.6
212.15556	1.4
213.16386	7.1
215.17943	7.9
217.12204	1.8
217.19536	5.1
219.17336	1.2
221.15385	2.4
225.16397	3.8
227.17973	5.4
229.16068	1.2
229.19540	4.5
231.17381	2.1
235.16980	1.7
237.16296	1.6
239.15138	2.2
239.17923	9.0
241.19456	17.7
243.20985	6.4
245.15370	2.1
247.16978	17.7
253.19485	4.5
255.21101	5.0
257.18924	1.4
259.17032	5.5
259.20547	3.2
267.21024	5.2
269.22711	2.6
271.16895	1.6
273.18427	3.2
281.22681	2.6
285.18430	12.7
287.20108	5.3
295.24295	4.1
299.20071	5.2
313.21487	3.8
315.23367	1.8
321.25607	1.4
327.23227	1.3
335.27408	4.2
349.28726	1.6
381.27603	1.9
391.33609	20.2
392.33945	3.3
395.29001	1.6
437.19748	2.6
437.34137	100.0
438.34476	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	437.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79706	0.8
53.03952	1.1
55.05297	0.9
55.05515	9.3
57.07075	7.3
67.05504	17.6
69.06709	1.4
69.07066	19.8
69.74417	1.5
69.74807	1.7
71.08633	4.1
77.03934	1.1
79.05492	9.2
80.75016	0.8
81.07054	49.7
83.08614	8.2
85.10173	1.8
89.06046	3.9
91.05471	7.6
93.07045	16.4
93.07604	1.2
95.08607	84.3
96.08928	1.9
97.10165	3.4
105.07023	20.6
107.08591	24.4
109.10158	31.2
111.11760	1.2
117.07001	4.1
119.08578	33.5
121.10146	17.7
123.11702	18.3
129.07008	3.6
131.08565	10.8
133.08586	2.3
133.10126	18.1
135.08075	0.9
135.11685	12.1
137.13245	14.5
141.06989	1.1
142.07748	0.9
143.08554	7.3
144.09361	0.8
145.10124	33.9
147.11691	15.5
149.13254	13.1
151.14822	12.5
153.09135	1.2
155.08571	2.9
156.09395	1.7
157.10107	8.5
158.10904	1.0
159.08154	0.8
159.11699	11.6
160.28168	0.7
161.13274	12.3
163.14818	9.4
167.08633	1.0
169.10147	4.1
171.11696	14.3
172.12508	1.1
173.13260	15.0
175.14819	25.0
177.09103	2.1
177.16370	7.8
179.17979	1.1
183.11720	6.6
184.12495	1.2
185.13261	7.1
187.14816	7.0
189.16374	12.0
190.16789	1.0
191.17944	13.8
193.15936	2.0
195.11687	1.4
197.13231	4.5
198.14063	0.8
199.14781	9.4
201.16359	19.9
202.16893	1.0
203.17946	13.3
205.12311	1.1
207.13614	0.8
209.13319	1.3
209.15295	1.2
211.14830	3.2
212.15518	1.0
213.16402	8.7
215.17908	8.1
217.12236	2.0
217.19473	6.1
221.15456	1.6
223.14777	1.4
225.16437	3.7
227.17969	3.6
229.19508	3.3
231.17461	0.9
233.15417	1.2
235.16930	1.2
237.16563	1.0
239.14980	2.5
239.17975	11.6
240.18599	1.5
241.19504	20.1
242.19841	1.3
243.21083	4.3
245.15446	2.4
247.16972	4.4
251.18059	1.5
253.19519	6.4
254.19916	1.1
255.20912	4.1
259.17047	4.3
259.20627	3.8
261.18451	1.0
265.19553	2.1
267.21078	4.4
269.22653	2.3
271.16827	1.8
273.18552	3.3
279.21060	1.3
280.67392	0.8
281.22641	2.4
285.18491	13.2
287.20053	5.6
293.22650	0.9
295.24298	3.9
299.19986	6.8
301.21674	2.0
307.24164	1.2
313.21597	5.4
321.25879	1.8
325.27502	0.9
327.22882	1.2
335.27234	6.6
339.23322	1.7
349.28934	1.6
353.24887	2.9
367.26102	1.4
381.27905	2.4
391.33560	24.8
392.34128	1.5
419.33450	1.2
421.35199	2.1
437.19522	2.7
437.34143	100.0
438.34543	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90206	1.0
53.03950	1.0
55.01864	7.1
55.05506	3.6
57.03432	17.1
57.70962	0.9
59.05010	1.7
61.02919	12.1
67.05501	81.7
67.99548	1.2
69.03061	1.9
69.03426	31.0
69.03802	1.8
69.18270	5.8
69.62337	0.9
71.01355	4.1
71.04977	2.5
73.02914	82.7
79.05492	3.4
81.03416	6.6
81.07059	9.9
83.95181	1.0
85.02900	77.5
86.09715	1.8
87.04463	5.4
91.03950	3.6
91.05490	2.5
93.07042	2.4
95.04890	1.4
95.08612	2.0
97.02892	56.4
97.06512	1.8
99.04448	4.2
103.03945	2.9
105.07047	1.2
107.08577	3.2
109.02885	7.0
109.06536	1.7
109.10149	100.0
110.10471	2.1
115.03926	30.2
119.08607	1.4
121.10131	2.2
127.03914	26.3
132.06596	1.9
133.04965	38.8
135.08090	1.2
139.11195	1.0
145.04953	37.1
149.09625	3.6
150.07642	4.2
151.11160	1.2
152.73849	1.0
163.06017	15.5
164.07112	1.2
174.67888	1.0
184.07327	4.9
193.04895	2.0
193.12123	1.8
199.05981	3.2
201.40833	1.0
211.13277	1.6
217.07069	2.3
223.05994	6.1
241.07074	9.8
241.14326	1.5
259.08109	10.0
277.09198	1.6
295.10245	2.9
438.22635	1.0
439.22693	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.0
55.05503	4.5
57.03437	25.3
59.05004	4.4
60.04541	3.1
61.02924	5.2
65.03943	5.0
67.05506	93.9
68.05811	1.9
68.79699	2.1
69.03430	81.7
71.04987	2.4
72.08148	2.1
73.02920	13.1
75.04465	2.3
79.05476	4.4
81.03419	6.3
81.07069	13.6
81.31310	1.6
83.04980	3.0
85.02905	58.8
87.03965	3.7
87.04472	50.2
91.05489	3.2
93.07040	5.3
95.04984	2.6
95.08607	5.4
97.02892	66.3
97.06553	2.3
98.03284	2.2
99.04433	2.4
101.02327	2.7
105.07012	5.2
107.08589	5.2
109.02890	3.1
109.10155	100.0
110.10519	2.1
111.04462	3.1
113.15557	1.8
115.03931	84.7
120.08119	3.2
121.10135	3.8
127.03926	8.2
133.04970	80.5
142.03232	3.3
145.04997	11.7
145.10091	2.5
150.07597	13.7
163.06000	5.0
163.14900	2.0
164.07042	2.6
193.12294	3.3
207.14008	2.0
209.87955	2.0
211.13300	5.3
214.08890	2.1
223.16953	2.4
229.07378	2.4
241.07159	2.8
241.17931	2.0
250.70618	1.9
259.08072	4.2
277.09158	3.4
295.10208	1.9
376.84982	2.1
438.20529	4.0
438.28064	2.7
439.23560	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	438.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02668	0.5
54.45195	0.5
57.07081	5.6
57.52872	0.5
58.06606	1.4
65.03951	1.2
69.07034	0.6
70.06591	15.8
71.08640	1.2
72.11731	0.5
81.07040	0.6
84.08156	0.6
87.54464	0.5
88.07634	18.4
93.07053	0.9
95.08613	1.4
98.23447	1.4
102.09178	13.8
103.05442	1.4
105.07074	0.7
107.04987	1.3
107.08588	0.8
109.10186	0.7
119.08591	1.0
121.02922	0.7
131.80933	0.6
133.10152	0.7
139.03860	1.2
146.99168	0.7
149.02348	53.5
149.03429	3.8
150.02696	1.3
184.20636	0.6
189.16368	0.7
193.04970	51.9
194.05330	1.0
200.19986	0.6
228.23227	47.3
229.23569	1.1
237.07571	58.1
238.08032	1.7
272.20316	1.1
272.25900	1.1
291.08429	1.4
351.41980	0.7
361.64819	0.7
369.09634	1.3
438.28543	100.0
439.13666	10.0
439.28949	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	438.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	30.1
67.05500	18.0
69.07066	10.2
69.62620	19.1
75.32330	5.3
79.05481	20.3
81.07050	23.3
83.08588	9.6
91.05492	18.7
95.08650	7.0
97.10163	35.4
105.07039	40.7
107.08598	11.0
109.10118	8.0
117.06997	22.1
119.08584	14.4
121.06519	10.2
125.09644	28.6
126.59805	5.6
129.07021	11.1
131.04945	6.1
131.08565	29.1
135.08017	6.4
141.06915	6.9
143.08635	7.9
145.06436	12.4
149.02313	58.7
155.08511	12.8
187.14850	9.5
189.11253	26.3
193.04948	100.0
197.13203	12.5
209.13300	7.0
213.12560	6.2
215.14368	28.4
233.15343	21.5
255.13817	14.8
339.23056	7.9
349.21646	14.6
356.18768	8.2
367.22702	76.0
385.23505	35.5
403.24649	43.5
438.19046	9.2
438.28287	17.2
446.42374	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	438.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.2
55.05511	100.0
59.17640	5.4
67.05515	38.1
69.03429	9.2
69.07064	21.5
69.68559	16.8
72.50045	6.1
73.89173	5.0
79.05492	42.3
81.07056	36.1
83.08626	47.0
88.92062	5.1
91.05487	32.6
93.07062	26.7
93.68195	4.5
95.08619	18.0
97.10165	89.2
98.22771	11.3
104.97351	5.1
105.04522	5.1
105.07038	39.1
107.04931	6.6
107.08601	32.7
109.06490	5.5
109.10124	8.5
110.33385	5.0
117.07003	19.1
119.08579	16.4
121.06512	6.6
121.10159	8.3
125.09638	64.4
129.07016	13.4
131.08563	28.2
133.06502	15.2
133.10112	13.1
135.08023	7.2
136.47148	5.9
141.07016	7.3
143.08643	10.9
145.06468	22.3
145.10136	19.5
146.69200	6.9
149.02353	23.5
153.09097	8.9
155.08620	14.5
159.08134	12.2
169.10094	8.4
171.11702	10.0
187.14847	16.9
189.11244	76.7
189.12827	8.7
193.04967	49.2
197.13303	7.0
215.14320	87.5
233.15340	28.5
236.62234	5.9
239.14482	7.2
249.59875	5.2
270.24457	5.9
275.06592	5.9
277.17197	5.7
349.17432	7.9
349.21628	21.6
356.18933	17.3
367.22467	54.2
385.23718	60.3
386.23682	5.7
403.24728	92.7
404.25113	8.0
432.22812	5.7
438.18781	8.4
438.34039	7.5
439.14465	9.4
441.63956	5.2
462.43307	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	439.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96516	10.0
56.96817	0.7
66.68552	0.5
69.37949	2.9
84.96037	5.5
89.03882	1.4
98.23420	1.1
98.97584	57.9
102.96977	0.6
110.97567	14.1
112.99075	1.9
116.98616	14.4
117.03315	2.1
118.35956	0.6
121.01673	0.6
124.99108	3.5
126.96986	1.4
128.98615	11.4
129.18684	0.6
131.00111	0.9
134.99620	1.9
135.04366	2.6
140.98589	5.3
143.00157	9.2
144.98059	3.4
145.02776	2.5
146.99617	3.4
147.04448	0.8
152.97403	0.9
152.98578	10.7
155.00130	0.8
158.99677	11.1
161.01184	3.9
162.99117	1.0
163.03925	12.4
164.04298	1.4
170.99658	8.6
177.00729	5.8
182.99696	1.0
187.02739	1.2
189.00740	4.0
194.99620	0.6
201.00687	4.6
213.00725	0.9
219.01768	27.1
221.02888	0.7
223.02771	3.9
231.01685	0.8
237.02811	22.8
247.04868	12.3
255.01448	0.7
255.03954	0.8
256.96457	1.0
265.05948	86.5
266.06226	2.8
273.04343	2.0
274.97476	3.6
277.08954	1.3
283.07028	12.0
288.07462	0.7
292.98502	2.6
321.08597	1.5
331.07147	0.8
361.07965	1.1
379.09167	100.0
380.09445	5.4
389.62555	0.7
397.10226	16.7
398.10468	1.1
420.11826	1.1
439.10327	7.3
439.15884	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1428
Annotation	Shogasulfonic acid A
Peak:m/z	Relative Intensity
54.92292	0.3
69.78775	0.3
70.04726	1.0
113.68355	0.3
133.02617	0.4
133.03482	2.1
151.04503	0.5
175.04544	1.0
187.04572	0.8
189.05974	0.3
201.06006	0.5
211.04471	0.7
217.05693	0.5
242.96545	0.4
277.08963	26.0
278.09201	0.5
295.08768	1.1
439.14227	100.0
440.14575	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	439.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50252	0.2
56.39031	0.2
69.07092	0.3
71.45250	0.3
73.38101	0.2
75.65091	0.2
84.04506	0.8
86.80573	0.2
95.04966	0.4
105.07088	0.3
113.15412	0.2
121.90136	0.2
125.06026	0.2
125.21655	0.2
163.03922	0.2
169.44952	0.2
178.08640	0.9
181.04984	0.2
189.62846	0.2
196.09702	1.9
213.07361	0.5
219.22542	0.3
249.35612	0.2
252.30513	0.2
254.61188	0.2
307.11401	0.7
439.15732	100.0
439.20874	4.2
440.16113	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	439.1578
Annotation	BRUCEOLIDE
Peak:m/z	Relative Intensity
64.11556	0.4
69.03432	0.6
70.06580	0.4
70.78039	0.6
84.01895	0.5
95.01095	1.6
96.01878	0.9
108.90932	0.5
112.01361	1.3
113.02127	2.7
123.23867	0.4
126.02894	0.7
145.02875	0.5
145.08595	0.4
157.04738	0.7
163.03871	3.1
181.05070	0.4
185.04234	3.0
196.86879	0.4
201.03754	0.8
202.04459	0.7
202.06032	3.6
243.08572	0.5
258.99103	0.4
259.07980	0.7
277.10611	1.0
286.46213	0.4
439.15820	100.0
440.16046	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	439.2307
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
53.24699	0.3
55.97017	0.2
69.08716	0.3
69.46784	1.2
81.07018	0.3
83.01044	0.3
88.83157	0.3
95.01086	0.3
96.01875	0.9
97.02634	0.5
113.02110	0.6
114.02911	0.3
125.02114	0.4
126.02990	0.3
128.04448	0.5
141.05234	0.8
157.04706	0.6
158.05508	0.4
169.04781	1.0
185.04308	0.3
186.05014	0.7
192.83055	0.3
203.05298	2.0
241.30580	0.3
259.16730	2.3
273.09564	0.7
277.17706	2.7
282.00589	0.3
311.53983	0.3
369.18848	7.5
439.23047	100.0
440.23331	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	439.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.6
67.05522	0.8
68.08646	0.5
69.07080	1.3
78.25848	0.4
79.05498	1.0
81.07060	1.4
83.08631	0.6
91.05474	0.8
93.07088	0.9
95.08625	1.7
96.01868	0.8
97.02693	0.6
105.07039	1.0
107.08644	1.5
109.10137	0.6
119.08641	0.6
121.10142	1.1
133.10165	0.6
164.07095	0.5
165.09126	0.6
205.08453	0.6
218.16840	0.5
295.15115	0.9
337.16397	1.7
351.18625	0.4
369.18933	0.6
393.18890	0.7
439.26825	100.0
440.27103	5.8
462.47079	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.4
57.07052	3.0
65.03924	2.7
67.05505	46.5
67.09691	2.2
69.03422	8.1
69.07070	29.1
70.47977	4.8
79.05504	7.8
79.69148	2.3
81.07061	38.5
83.04980	4.4
83.08613	4.0
87.05885	2.2
91.05488	9.2
93.07053	15.1
95.04977	8.7
95.08611	37.2
97.06506	2.4
97.10171	5.7
105.07032	15.8
106.56287	2.4
107.08597	23.3
109.06517	11.0
109.10157	100.0
117.07049	3.9
119.08591	22.8
121.10168	16.4
123.08048	5.2
123.11703	22.7
125.09634	2.6
129.07037	2.4
131.08589	8.3
133.10153	10.5
135.07954	2.3
135.11694	7.1
137.13249	2.7
143.08574	4.8
145.10126	17.1
147.11664	15.6
149.13289	7.1
151.11174	37.2
157.10138	5.6
159.11705	15.3
161.13255	10.0
163.14845	2.7
165.12764	4.5
169.10092	3.1
171.11708	11.3
173.13260	13.9
175.14854	7.8
185.13290	7.2
187.14804	11.5
189.01846	2.4
191.14407	2.9
193.16019	3.5
199.14810	9.8
201.16273	4.1
203.14508	2.6
209.13272	2.3
213.16199	3.3
215.17970	4.5
253.19470	3.3
255.21112	22.2
273.22137	19.4
311.26044	2.8
328.60486	2.6
347.25839	3.8
353.28464	3.5
387.22971	2.7
403.33600	4.6
421.34583	8.5
435.29202	2.5
439.14053	6.9
439.35876	53.5
440.36096	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	439.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.05512	13.4
55.88782	1.1
56.62829	1.0
57.07072	5.2
59.05013	1.9
67.05503	14.8
68.05837	1.7
69.07068	15.9
71.08630	2.9
71.45431	1.1
79.05495	8.2
81.07058	26.3
82.07425	1.2
83.08616	9.2
85.06559	1.1
85.10178	1.2
89.06030	6.6
91.05470	10.7
93.07042	21.1
95.04990	2.4
95.08608	51.4
96.08941	1.9
97.06520	2.1
97.10146	6.6
105.07032	18.5
107.08592	39.7
109.10153	33.5
110.10498	2.0
111.04465	1.3
111.08104	2.1
111.11723	2.1
111.92390	1.0
113.00020	1.2
117.05583	1.2
119.08580	40.9
121.10140	36.2
121.10993	2.3
122.10535	2.1
123.11720	9.6
125.09653	2.7
131.08572	3.6
133.08606	2.0
133.10124	37.3
134.10484	1.2
135.08087	1.7
135.11693	25.9
137.13277	3.0
139.07532	1.1
145.10141	4.6
147.11685	29.5
149.09622	1.4
149.13252	13.9
150.13551	1.3
151.07651	1.5
153.09123	6.0
157.10158	1.3
159.11681	5.7
161.09695	1.6
161.13252	15.4
163.14810	11.6
165.09071	1.2
167.10718	3.4
169.25081	1.0
171.11734	1.6
173.11824	2.6
173.13156	2.3
174.14034	1.7
175.14821	11.2
177.16380	6.3
179.10611	3.0
187.14830	3.2
189.16379	44.3
191.17940	72.8
192.18369	1.4
201.16348	7.1
203.17949	100.0
204.18352	3.8
205.19545	8.7
207.17453	1.6
215.17996	1.8
217.19502	8.6
218.19727	1.3
221.19019	4.8
223.16869	1.3
229.19511	1.3
231.17479	2.7
231.21124	4.8
235.16977	3.0
239.14844	3.2
240.15327	2.1
247.16991	3.4
249.18474	20.5
275.20071	1.4
277.08728	1.2
311.25827	2.8
393.35004	3.0
408.01047	1.2
421.34708	2.1
439.14008	3.6
439.19318	1.4
439.35797	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	440.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	1.6
61.05216	1.5
65.75814	1.5
67.05493	2.8
69.03416	5.6
69.41115	1.4
69.63993	5.4
69.64326	1.5
79.05479	5.4
81.03420	2.1
81.07047	3.7
83.04999	4.3
85.02898	4.2
90.34163	1.4
91.05476	20.9
93.07022	7.2
95.04971	8.6
97.02883	1.7
98.21957	1.2
98.22653	1.6
98.97561	6.0
103.05513	1.4
107.04971	3.4
109.06515	6.0
110.97587	2.8
116.98628	3.9
119.04932	23.2
121.06522	8.3
123.04420	13.8
125.02367	5.8
129.05508	2.2
137.05959	18.5
139.03905	10.7
147.04446	16.7
151.03902	21.0
151.07538	3.4
151.16154	1.5
155.07056	1.7
158.99687	2.3
165.05482	45.8
175.03929	4.4
179.07004	18.7
183.06529	2.0
189.00728	2.1
193.04990	22.6
201.00615	1.5
207.06578	13.0
210.92450	1.5
211.06030	26.2
216.06905	2.2
219.01802	3.6
225.07584	35.2
225.11057	1.9
229.07095	18.6
237.02809	2.5
243.08649	100.0
244.08963	3.0
261.02911	4.3
261.09671	3.2
272.08682	1.7
278.10022	1.7
279.03867	1.9
433.87619	1.4
440.15317	6.0
441.13931	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.3
55.05509	15.2
57.03436	35.5
57.07076	2.3
59.05006	2.9
60.04524	3.5
61.02934	8.9
67.05507	6.5
69.03424	67.0
69.07063	100.0
70.65939	1.7
71.01349	2.9
71.24789	1.9
73.02914	43.2
75.89491	1.5
79.05482	4.1
81.03411	6.6
81.07063	4.9
83.04984	3.4
85.02900	98.5
87.04463	42.4
88.79664	1.7
91.05489	1.7
93.07035	4.6
95.04984	2.3
95.08589	2.4
97.02251	4.1
97.02885	76.4
97.06558	2.7
99.04416	3.6
103.03948	2.7
105.07003	2.2
107.04969	2.0
107.08561	3.0
109.02883	5.8
109.10149	3.7
111.11711	51.6
115.03922	87.4
117.44557	1.7
119.08586	1.6
120.08147	2.5
121.10165	2.9
123.11695	2.4
127.03894	22.3
133.04961	71.7
135.35399	2.2
145.04945	25.9
147.08034	2.0
150.07613	15.5
153.12747	3.2
159.11612	1.8
163.03967	2.4
163.06009	17.0
170.46823	1.8
177.12688	1.9
180.08670	1.7
184.07370	3.1
212.12721	1.8
223.05997	4.2
237.14859	3.3
241.07080	7.0
243.15985	4.7
259.08185	6.6
269.17499	4.8
277.08929	3.9
291.23178	1.9
295.10175	5.7
315.13135	3.7
402.65582	1.8
408.48752	2.0
440.23431	52.5
440.29874	5.1
441.24521	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.3
55.05509	15.2
57.03436	35.5
57.07076	2.3
59.05006	2.9
60.04524	3.5
61.02934	8.9
67.05507	6.5
69.03424	67.0
69.07063	100.0
70.65939	1.7
71.01349	2.9
71.24789	1.9
73.02914	43.2
75.89491	1.5
79.05482	4.1
81.03411	6.6
81.07063	4.9
83.04984	3.4
85.02900	98.5
87.04463	42.4
88.79664	1.7
91.05489	1.7
93.07035	4.6
95.04984	2.3
95.08589	2.4
97.02251	4.1
97.02885	76.4
97.06558	2.7
99.04416	3.6
103.03948	2.7
105.07003	2.2
107.04969	2.0
107.08561	3.0
109.02883	5.8
109.10149	3.7
111.11711	51.6
115.03922	87.4
117.44557	1.7
119.08586	1.6
120.08147	2.5
121.10165	2.9
123.11695	2.4
127.03894	22.3
133.04961	71.7
135.35399	2.2
145.04945	25.9
147.08034	2.0
150.07613	15.5
153.12747	3.2
159.11612	1.8
163.03967	2.4
163.06009	17.0
170.46823	1.8
177.12688	1.9
180.08670	1.7
184.07370	3.1
212.12721	1.8
223.05997	4.2
237.14859	3.3
241.07080	7.0
243.15985	4.7
259.08185	6.6
269.17499	4.8
277.08929	3.9
291.23178	1.9
295.10175	5.7
315.13135	3.7
402.65582	1.8
408.48752	2.0
440.23431	52.5
440.29874	5.1
441.24521	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79589	0.8
56.84037	1.1
56.96568	13.1
57.47668	0.7
62.04705	0.8
68.50919	0.8
71.44957	0.8
81.31728	0.9
84.96046	7.5
86.73367	0.8
98.97585	100.0
104.68707	1.0
110.97575	33.9
112.99122	2.8
116.98624	25.7
124.99129	3.4
127.00681	1.9
127.99224	0.7
128.98604	22.7
134.99638	2.5
140.98584	14.1
142.99139	1.1
143.00165	14.7
144.98163	0.9
146.99620	5.0
152.98608	6.2
158.99657	39.1
161.01225	5.6
161.02431	0.8
161.02888	0.7
170.99644	30.1
172.00040	1.0
174.99268	0.9
177.00708	22.5
177.02255	1.1
182.99660	22.5
185.01224	1.1
189.00711	18.8
194.99670	1.9
195.01787	1.6
201.00703	51.1
207.01756	4.0
213.00720	4.0
219.01764	39.4
219.05029	1.2
231.01814	5.0
233.03258	1.2
237.02820	12.6
243.01801	21.2
249.02907	1.4
261.02826	80.1
262.03146	1.4
273.02795	9.4
279.03867	46.8
291.03827	15.4
297.04907	3.1
297.08200	1.1
302.05560	1.8
303.03809	1.2
309.04886	1.9
321.04926	41.0
322.05304	1.3
333.04935	4.6
351.05981	9.5
381.06906	5.8
399.08228	4.0
440.14236	1.4
441.09088	28.4
441.14603	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88495	0.7
55.05497	0.8
56.96555	2.2
57.03429	1.3
63.75692	0.7
67.05513	1.0
68.87521	0.7
69.03416	2.2
70.78506	1.3
71.04961	1.0
79.05490	1.2
81.03407	4.5
83.04991	1.5
85.02911	1.8
89.03909	5.8
95.08620	0.7
97.02893	2.4
97.96817	1.1
98.97604	7.8
99.04445	5.4
107.04937	1.6
109.02881	1.1
109.10154	0.9
110.97561	2.4
116.07077	1.9
116.98584	1.5
117.03387	10.0
120.08136	0.8
125.05923	1.0
128.98611	1.0
129.05484	1.2
134.66795	0.7
135.04422	18.5
140.98593	0.8
143.00159	1.1
145.02837	12.8
147.04430	0.8
158.99652	1.2
163.03908	100.0
164.04260	3.2
170.99730	1.1
177.00658	1.0
181.05081	1.9
199.59871	0.8
201.00656	1.1
207.03369	1.0
219.01778	3.3
225.04385	1.0
237.02817	3.8
307.08170	3.8
309.06454	2.0
327.07587	5.6
441.11435	34.6
442.11975	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	441.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78007	3.2
62.36097	3.3
62.36433	3.4
67.05497	6.3
69.06915	13.9
69.07340	10.1
79.98559	3.3
82.91666	3.9
86.00157	4.3
93.07043	5.6
95.08607	6.0
98.23521	6.9
104.99266	3.9
128.30762	3.5
135.98737	3.8
141.86768	4.1
159.72910	3.9
188.96629	3.6
223.07193	6.4
286.62186	3.6
407.21957	100.0
408.22147	6.9
411.62881	4.2
423.20859	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	441.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
63.50178	0.2
66.75531	0.3
70.03811	0.8
74.19442	0.3
81.24582	0.2
85.62543	0.2
91.30363	0.2
98.23334	0.3
107.84527	0.3
120.08092	1.8
120.72440	0.3
137.23891	0.3
151.10382	0.3
163.67140	0.3
177.01047	0.3
199.42337	0.3
203.05258	5.8
226.94551	0.3
261.18167	1.3
279.19247	0.9
381.21667	0.5
410.42981	0.3
441.24579	100.0
442.24969	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	441.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.35643	0.3
64.49550	0.3
68.53327	0.3
70.78784	0.3
120.08115	0.7
162.62856	0.3
203.05251	1.7
220.73816	0.3
261.18179	0.5
279.19254	0.4
371.19452	0.3
398.70822	0.3
409.13690	1.4
441.24573	100.0
442.24908	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	441.2462
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
54.14058	0.2
69.39773	0.6
69.40173	0.4
72.50130	0.2
74.18829	0.2
98.22725	0.4
127.88039	0.2
162.46671	0.2
190.76230	0.2
201.03700	5.6
203.05264	7.6
261.18240	2.9
263.19824	7.7
283.43881	0.3
321.66672	0.2
441.24603	100.0
442.24951	5.5
442.30875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.6
60.52384	0.3
67.05489	0.5
69.07055	0.6
70.10709	0.7
70.11075	0.7
76.59652	0.3
79.05496	0.4
81.07047	1.0
83.18238	0.3
93.07031	0.7
95.08612	0.7
97.06539	0.4
97.10159	0.4
105.07019	0.3
109.06525	0.4
109.10148	0.6
119.08536	0.5
121.10131	0.3
124.65004	0.3
135.09850	0.3
147.11646	0.4
151.59242	0.4
165.09058	1.6
269.17438	0.5
341.19296	0.7
350.20700	0.4
390.15915	0.5
441.28238	100.0
442.28616	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	441.2824
Annotation	Klyxumine B
Peak:m/z	Relative Intensity
50.07840	0.4
55.65295	0.5
57.29284	0.5
58.13887	0.4
67.05504	0.9
69.07061	0.6
70.36795	0.4
70.59292	0.5
79.05484	1.0
81.07049	1.8
89.21129	0.5
93.07066	0.8
95.08605	1.0
105.07052	1.0
107.08614	1.1
109.06516	0.6
109.10127	0.6
119.08564	0.6
121.10149	0.5
149.13293	0.6
149.75389	0.5
165.09149	1.7
269.17487	1.0
274.97385	0.7
397.08344	0.9
409.08472	0.6
441.28235	100.0
442.28632	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	441.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63069	1.1
55.01867	1.0
55.05517	10.1
57.03440	1.9
57.07078	3.7
60.92818	0.9
65.03931	1.4
67.05510	13.6
69.03442	1.4
69.07070	17.3
69.68445	3.6
71.04996	1.5
71.08634	10.6
76.92732	0.8
78.98180	1.0
79.05505	6.9
81.07057	19.6
82.26846	1.0
83.04991	2.1
83.08612	8.7
85.06560	2.0
91.05471	6.4
93.07037	10.6
95.04968	1.1
95.08604	21.6
97.06540	2.3
97.10178	2.8
99.08094	8.8
105.07019	6.0
107.08595	10.6
109.06529	10.6
109.10158	8.7
111.04478	1.8
111.08080	2.8
119.08587	8.5
121.06512	3.0
121.10152	9.3
123.08070	29.1
123.11731	4.3
125.09641	1.4
131.08594	2.8
133.10141	8.3
135.08037	7.0
135.11696	4.4
137.09630	3.7
137.13277	2.7
145.10126	4.3
147.11685	3.1
149.09636	3.5
149.13287	4.5
153.12732	5.7
159.11694	1.9
161.09633	1.2
161.13228	2.5
163.14801	2.2
165.12646	2.6
167.14247	2.1
173.13326	1.6
175.14832	2.4
177.16383	1.0
179.14307	43.2
181.12212	1.6
189.16443	1.7
191.14334	2.8
193.15912	2.1
205.15910	2.4
233.19087	1.5
251.20094	10.1
269.13669	3.3
274.97449	1.1
275.20123	2.4
285.25641	1.3
286.27158	1.1
293.21094	7.8
293.28427	3.2
303.26886	13.6
313.25095	1.2
321.27924	2.4
331.26303	44.4
332.26721	2.6
349.27344	50.5
350.27661	2.2
405.30002	5.8
423.31052	100.0
424.31366	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	442.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70594	0.5
55.01869	0.8
57.03429	2.6
57.07070	3.1
59.04984	0.7
61.02923	1.9
67.05511	6.1
69.03432	8.4
69.07050	0.6
69.46986	1.2
69.47369	1.3
71.04995	2.8
73.02919	1.2
81.03419	0.8
85.02908	24.9
85.06551	2.3
87.04460	5.2
91.03963	1.3
95.04979	9.7
97.02901	9.8
98.23528	0.6
98.97583	0.7
99.04432	0.6
103.03963	0.8
109.02879	2.0
113.06009	32.8
115.03943	4.8
115.11897	0.5
118.46899	0.6
122.07125	0.9
123.07968	0.9
127.03899	5.0
131.07042	100.0
132.07378	2.0
133.04971	6.1
145.04953	11.2
150.07587	1.3
163.06013	6.3
252.07077	1.2
263.11261	0.9
293.12317	13.4
294.12228	0.5
321.96347	0.6
373.53235	0.6
398.53656	0.5
442.17862	0.9
443.16461	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	442.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
53.33768	0.8
54.02511	0.6
55.01872	2.4
55.05501	3.2
57.03432	5.3
61.02928	6.9
61.38868	0.6
69.03426	18.1
69.07063	2.9
69.71892	2.5
70.07370	1.3
71.04999	5.2
73.02913	5.0
76.42686	0.7
81.03417	6.6
81.07037	0.7
83.08621	4.9
85.02903	100.0
86.03229	1.9
87.04464	2.5
90.21964	0.7
91.03963	7.0
93.07014	0.9
95.08614	0.9
97.02894	23.7
99.04443	4.3
99.08102	0.9
99.48918	0.7
100.07610	1.0
101.09662	1.7
103.03915	0.7
109.02876	8.2
111.08102	1.6
111.11739	0.7
112.12086	0.9
115.03928	2.0
118.08661	1.3
123.08051	1.0
125.67669	0.7
126.88382	0.7
127.03913	24.3
127.04858	1.3
129.09111	1.6
129.12788	1.9
130.13063	1.5
131.10660	2.4
133.04977	1.1
135.04480	0.6
137.09604	0.7
139.07541	2.1
141.09094	1.4
145.04959	50.7
146.05324	1.1
151.07509	1.1
163.03857	2.6
163.06015	24.7
185.11664	0.9
191.10681	1.0
197.11736	1.2
209.11734	1.5
227.12808	2.8
245.13914	2.7
263.14938	3.9
325.11240	1.9
349.21378	0.9
400.96011	0.7
442.14444	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62894	0.7
53.03939	1.5
54.00906	0.7
55.01872	7.5
55.47362	0.8
56.82943	0.7
57.03180	1.1
57.03437	13.2
57.57087	0.7
59.05000	1.3
61.02924	14.9
62.03444	0.8
67.05495	0.9
69.03427	30.8
71.01344	3.7
71.04987	2.3
73.02914	70.6
77.34750	0.7
81.03408	5.8
83.04970	0.9
84.06288	0.7
85.02901	100.0
87.04464	4.9
91.03941	6.1
91.05479	0.8
97.02890	52.9
98.03242	0.7
98.22720	1.9
99.04447	4.8
103.03944	3.1
105.07041	0.8
109.02888	8.2
115.03928	25.7
121.10129	1.3
127.03910	27.5
132.06558	0.9
133.04964	33.0
140.92368	0.8
145.04955	51.3
145.10172	0.9
150.07623	2.3
163.06018	19.5
165.09114	2.6
169.04982	0.9
175.04741	0.7
181.04956	1.5
193.04987	1.5
217.07111	1.1
223.06020	4.0
241.07028	7.6
259.08081	6.7
260.08185	0.7
277.09171	1.9
293.19626	1.8
295.10300	2.4
333.48706	0.8
342.42487	0.7
442.25220	2.4
464.91699	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07373	1.2
52.18410	1.2
55.01876	6.0
55.03171	1.4
55.05518	1.5
56.28716	1.3
57.03441	15.6
57.07084	1.6
58.06562	1.4
59.05004	3.3
61.02930	14.1
69.03429	33.9
69.07059	2.7
69.20152	8.4
70.06593	3.0
71.01352	4.5
71.05006	1.6
73.02921	61.3
79.05499	3.7
80.70700	1.6
81.03435	7.0
81.07063	2.8
84.04499	1.5
84.08163	2.5
85.02909	100.0
86.09673	1.7
87.04462	8.9
88.03984	2.2
91.03971	4.1
91.05470	3.3
93.07052	3.9
95.08595	2.5
97.02895	55.0
99.04459	4.9
103.03972	2.7
105.07056	6.7
106.06588	2.1
106.07368	2.6
107.04987	2.2
109.02894	8.3
109.10201	2.1
115.03938	30.5
118.06585	1.9
119.08627	3.0
120.08095	12.3
121.06544	1.8
121.08469	4.3
123.04498	1.4
125.02376	3.9
127.03921	31.9
130.06577	2.0
131.04939	2.5
133.04979	32.7
133.10112	1.9
137.06078	1.8
144.08078	2.1
145.04964	53.7
146.06053	9.2
147.11746	1.4
150.07614	2.1
151.03941	1.7
162.09081	2.1
163.03972	2.3
163.06030	16.9
164.07106	2.1
165.05437	2.0
165.09157	2.6
167.07066	4.1
188.07030	1.8
216.06596	1.6
223.06042	5.7
241.07133	5.2
259.08075	7.2
260.39453	1.7
277.09021	1.8
293.19681	3.7
295.10107	1.4
339.12296	2.8
355.16620	6.3
382.22205	6.8
425.17099	3.8
442.18649	2.6
442.24799	43.6
443.18204	10.1
443.26239	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	442.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
53.19881	0.9
55.05496	5.2
57.03434	24.8
57.07083	1.2
59.05008	1.9
60.04536	1.2
61.02915	10.3
61.48892	1.1
67.05497	1.9
69.03427	45.7
69.03805	2.3
69.07056	2.2
69.62519	1.8
71.01344	1.7
71.08629	10.7
73.02914	40.5
75.58572	1.1
81.03407	6.4
81.07048	3.5
82.06585	1.6
82.34011	1.0
83.04961	3.5
83.08611	4.7
85.02902	100.0
85.06529	2.4
87.04462	19.1
88.11255	5.3
91.03954	3.9
91.05468	1.7
93.07034	2.5
97.02888	59.7
98.23388	2.2
99.04433	4.6
100.07633	4.3
100.11243	13.0
103.03902	1.4
105.07022	1.1
109.02859	7.7
109.10175	1.5
111.04424	6.3
112.07586	1.9
115.03928	49.8
121.06507	1.7
124.73586	1.0
126.09174	1.2
127.03906	27.8
128.07065	4.7
132.06651	1.2
133.04953	36.4
140.07043	3.1
145.04948	53.8
147.11703	1.1
150.07632	6.2
163.06013	22.5
165.09143	2.5
166.09401	1.3
167.07048	2.3
169.05055	1.5
170.15376	28.0
182.15401	15.7
198.14890	21.1
209.16481	1.6
210.14874	17.1
223.06013	2.4
228.15985	4.1
241.07126	4.1
245.18636	6.1
259.08301	2.9
277.08939	1.5
278.17789	1.2
293.19650	3.6
295.10242	3.0
297.25333	4.4
314.28036	1.4
324.13705	1.0
337.21161	6.3
339.12332	2.3
355.22241	4.7
405.97861	1.1
424.31665	16.7
442.25009	4.6
442.32666	25.2
443.14175	1.7
443.32986	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95576	7.0
53.50407	7.0
55.05510	100.0
67.05495	30.4
69.07061	25.6
71.04980	39.0
73.06554	7.3
79.05483	28.4
80.49053	7.2
81.07051	36.1
83.04955	6.4
83.08614	93.3
83.37216	7.3
87.22826	7.2
91.05485	12.9
93.07052	31.4
94.33268	6.6
95.08606	29.7
97.06513	8.8
97.10159	16.9
98.23471	26.7
98.99380	7.8
105.06402	9.5
105.07056	21.9
107.04954	13.5
107.08583	27.6
109.06509	6.9
109.10163	26.1
119.08627	9.8
121.10147	21.7
125.09633	12.5
133.10123	17.5
135.11716	11.2
145.10159	12.3
158.89403	7.7
165.09212	17.4
173.11746	33.8
173.13123	7.9
179.14284	10.6
180.41026	7.7
187.61859	8.0
189.11224	11.5
195.13853	15.7
200.73933	7.7
223.66248	7.4
264.39774	8.1
275.20135	26.6
303.10968	8.0
309.24329	19.6
336.28983	16.7
389.30554	8.9
442.32336	43.5
442.40302	28.5
457.60983	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	443.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03477	2.8
55.04021	0.5
55.04250	2.9
57.03439	1.0
57.07065	0.5
61.02920	1.6
64.96973	0.5
69.03423	3.5
69.07058	0.5
69.30878	0.4
70.73897	0.6
71.05002	1.3
73.02922	1.0
80.05020	1.0
81.03418	1.4
81.04539	18.8
82.04867	0.4
82.05320	8.5
83.04980	0.8
85.02908	12.1
85.06528	2.4
86.03243	0.7
87.04460	0.7
88.59003	0.4
95.06162	0.4
97.02887	4.3
98.97595	0.6
99.04460	1.1
101.06017	12.1
102.06343	3.7
103.07580	6.9
108.05624	1.2
109.02887	0.9
110.13384	0.5
113.06020	0.9
114.03717	0.5
122.07154	100.0
123.07936	86.2
124.08298	1.3
127.03928	3.1
131.07074	0.7
144.04794	1.3
145.04942	3.2
160.04251	2.2
163.03897	1.0
163.06018	1.6
165.07735	3.3
165.08949	0.5
170.76028	0.5
172.04306	1.1
184.06793	0.4
225.45372	0.5
246.10732	0.5
264.11737	0.7
281.10660	53.7
282.10831	2.2
323.11819	0.8
443.15979	78.8
444.16162	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	443.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
57.03432	2.2
59.04990	1.8
64.50480	1.6
65.03951	2.1
69.03425	8.8
71.24577	2.3
79.05505	3.9
81.07076	2.9
83.04969	4.1
85.02900	8.2
87.04446	1.8
91.02759	1.6
91.05482	3.5
93.07052	4.3
95.04959	2.5
97.02895	4.7
97.06531	6.3
97.61497	1.5
105.07029	6.7
107.04951	1.9
107.08589	5.7
109.02870	2.8
109.06506	3.5
111.04439	3.6
117.06982	1.4
119.04960	2.0
119.08624	8.1
119.21777	1.4
121.06517	2.6
121.10093	2.3
123.04410	1.8
123.08054	3.6
129.06941	1.9
130.07739	1.4
131.08566	3.8
133.06499	1.8
133.10153	2.3
135.08049	100.0
136.08380	2.2
137.06023	1.8
143.08548	3.7
145.06487	2.7
145.10133	4.5
147.08051	4.3
149.05959	1.8
151.07555	4.1
156.09367	6.3
157.06636	1.6
157.10080	3.2
158.07326	3.8
159.08034	9.1
159.11702	11.2
161.09631	2.5
163.03879	9.9
169.10187	1.9
171.11685	4.0
172.08789	8.1
173.09612	18.9
175.11171	1.5
184.08871	2.2
185.09669	2.4
187.11177	49.3
188.11519	2.0
199.11156	8.5
203.10670	10.1
212.08481	1.8
215.10689	27.9
216.11012	1.8
217.12242	8.1
227.10651	6.5
233.11728	50.3
234.12138	3.1
245.11723	37.0
246.12161	2.0
263.12808	37.8
263.15692	1.2
416.58850	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	443.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.18119	0.6
78.74684	0.6
80.94872	0.7
91.05546	0.7
95.08614	0.8
102.35450	0.6
104.51524	0.6
132.98782	0.7
165.09152	1.2
184.07295	0.6
199.90004	0.6
271.13089	0.8
425.22977	2.2
443.24030	100.0
444.24405	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	443.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71645	0.3
58.83320	0.3
67.05500	0.5
69.40788	0.8
69.41171	0.7
79.05479	0.3
81.07063	0.8
82.81934	0.3
83.75161	0.3
93.07025	0.6
94.86652	0.3
95.08640	0.6
100.30531	0.3
111.90132	0.3
112.07622	0.5
114.43752	0.4
119.08633	0.3
121.10213	0.3
134.35104	0.3
147.11792	0.4
165.09138	0.8
187.87270	0.3
355.42352	0.4
425.22894	0.4
443.24051	100.0
444.24384	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	443.2408
Annotation	Docosyltrichlorosilane
Peak:m/z	Relative Intensity
50.84098	0.5
50.96713	0.5
55.05519	0.6
56.96553	0.6
67.05499	0.6
69.07077	1.3
69.27898	2.8
70.70627	0.5
71.08662	0.6
77.67117	0.5
79.05499	0.6
81.07066	0.7
83.08640	0.9
92.85934	0.5
93.07065	0.8
95.08620	1.1
96.78600	0.5
98.23496	1.1
105.07029	0.8
109.10163	1.1
132.57869	0.5
133.10118	0.9
136.08351	0.5
158.40649	0.5
161.13371	0.6
165.09085	2.6
180.83812	0.6
182.44278	0.6
193.08438	0.7
193.12361	0.6
365.39758	0.6
366.19846	0.6
425.22983	4.3
426.23184	0.8
443.24130	100.0
444.24435	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	443.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.4
56.05014	0.3
57.05799	0.3
58.06597	0.3
60.04526	0.4
60.05351	0.5
60.05648	6.9
67.05508	0.5
68.13913	0.2
69.03424	0.9
69.07066	8.3
69.49495	0.5
69.49879	0.8
70.06590	20.5
71.04992	0.7
72.04520	0.4
72.08159	1.5
79.05509	0.3
81.03422	0.2
81.07063	0.5
83.04989	0.3
85.02910	1.1
86.09704	97.6
87.10036	1.0
93.07040	0.4
95.04959	0.8
95.08591	0.3
97.02881	0.6
97.06610	0.3
99.04488	0.2
105.07066	0.3
107.08609	0.4
109.10169	0.3
112.08732	3.5
113.07098	0.6
114.10282	0.7
115.08690	3.7
116.07088	7.7
119.04974	0.4
119.08591	0.3
127.03883	0.4
128.10716	17.5
129.11003	0.3
130.09764	3.2
131.11827	0.3
133.09747	1.0
135.04425	0.7
135.08049	0.2
137.09613	0.9
145.02846	0.4
147.04453	0.8
156.10181	1.3
156.11316	9.6
157.10844	0.7
158.09250	6.8
163.03906	3.4
163.11136	0.2
175.11900	17.9
183.14793	0.3
185.10272	0.3
199.18037	0.4
205.12215	0.3
226.15501	0.6
228.16975	0.3
251.17577	0.4
253.16621	0.7
256.23584	0.3
263.16403	1.7
269.18597	0.9
271.17633	8.4
272.17868	0.4
281.17438	0.4
288.20297	0.9
383.26697	0.2
425.28690	0.8
443.29742	100.0
444.30032	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	443.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.7
55.77018	0.4
57.07064	1.9
67.05503	5.2
69.03423	0.6
69.07072	6.1
71.04987	1.3
71.08617	1.8
79.05490	2.8
81.07053	17.7
83.08634	2.8
91.05492	1.1
93.07077	2.4
95.08605	9.0
97.10167	1.7
99.08092	2.1
105.07026	1.7
107.08584	2.6
109.10151	7.4
111.11726	0.8
119.08568	3.0
121.10152	2.7
121.13237	0.5
122.07260	1.1
123.11697	3.8
131.08571	1.2
133.10170	0.9
135.08035	1.8
135.11681	1.5
137.08607	0.7
137.09610	8.9
137.13246	1.5
143.08574	0.5
145.10156	1.2
149.09619	11.4
149.13231	0.8
151.07526	1.0
151.14809	0.6
153.09169	0.6
159.08031	0.7
159.11694	1.1
161.09631	0.6
162.06737	0.9
163.11179	4.2
163.14915	0.8
165.09113	100.0
166.09468	3.1
172.08984	0.5
173.09651	0.8
175.07597	0.7
175.11165	2.1
176.08418	0.8
177.09108	6.4
177.12625	0.8
179.07033	0.6
187.11163	2.2
189.09035	1.2
190.09879	2.3
191.10652	5.5
199.11182	0.6
201.12729	1.2
203.10661	1.0
203.14401	0.9
205.12234	18.8
215.14334	1.2
219.13815	1.0
224.88651	0.5
291.19559	0.7
291.26810	0.6
327.71613	0.5
415.31558	4.4
425.34073	3.0
443.35239	13.3
444.35580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17802	0.1
55.05509	0.8
56.65661	0.1
57.07073	0.3
67.05502	2.5
69.07067	1.4
69.58949	0.3
69.59299	0.4
71.04998	0.3
71.08649	0.2
75.10194	0.1
79.05501	0.5
81.07062	2.5
83.04992	0.6
83.08604	0.4
87.04462	0.4
91.05460	0.6
92.88485	0.1
93.07050	0.7
95.08607	2.2
97.10156	0.4
99.08070	0.2
105.07037	0.4
107.04899	0.2
107.08602	0.6
109.10159	4.2
110.10477	0.2
113.09583	0.1
119.08579	2.5
121.06448	0.2
121.10146	0.4
122.07289	1.2
123.08052	0.2
123.11710	0.8
133.10098	0.2
135.08070	0.2
135.11693	0.4
137.09615	8.7
137.13223	0.3
139.11172	0.2
145.10097	0.2
147.11710	0.3
149.09616	1.5
149.13242	0.3
151.07574	0.3
151.14790	0.2
153.09071	0.2
163.11125	0.2
165.09111	100.0
166.09433	2.6
175.11206	0.4
177.09129	0.5
179.10670	0.3
189.09099	0.1
189.12726	0.4
191.10646	0.4
191.17970	0.2
201.12794	0.3
203.10710	0.6
203.14351	0.6
203.17902	0.3
205.12195	1.6
205.19534	0.4
215.14384	0.1
217.12317	0.2
219.13710	0.2
231.13652	0.2
273.25717	0.3
289.29016	0.1
291.26791	1.1
298.08194	0.1
425.34598	0.7
441.26093	0.1
443.20636	0.3
443.35156	4.0
444.35645	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	444.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01872	2.7
55.12539	0.6
56.96561	0.5
57.03439	5.4
59.04972	0.7
61.02634	0.7
61.02927	7.5
67.05509	1.1
69.03432	16.7
69.70800	2.0
71.01344	0.8
71.04997	3.3
72.52422	0.6
73.02917	3.7
73.04768	0.7
79.05471	1.0
81.03419	6.4
81.07040	1.4
83.01337	1.0
85.02906	100.0
85.06542	24.4
86.03229	1.4
87.04469	2.6
91.03963	5.8
93.07050	0.9
97.02893	22.3
97.06522	0.8
98.97579	3.6
99.04472	4.6
102.96832	0.7
103.03935	1.3
103.07586	1.4
105.06999	1.1
109.02871	10.0
109.06543	1.1
110.97549	0.8
113.22466	0.6
115.03947	2.6
116.98647	1.6
119.01952	1.2
119.08603	1.0
121.06512	1.5
123.08048	1.3
127.03921	29.2
128.04260	0.7
128.98662	0.7
131.04935	0.7
145.04961	61.6
146.05287	1.6
147.08087	1.0
151.07538	0.7
163.06021	28.8
163.07442	1.5
165.09160	0.7
175.07704	0.8
191.85313	0.6
198.97679	1.2
201.00893	0.7
210.97476	1.4
211.09659	2.1
215.09055	1.5
216.98738	5.4
219.01913	1.2
228.98718	1.3
229.10712	15.8
234.99840	1.1
237.02910	1.4
240.98788	1.3
246.99818	0.7
247.11702	2.1
258.99789	4.1
270.99658	1.9
277.00800	0.8
301.01001	0.9
319.01910	2.3
325.11304	3.0
355.12320	0.9
359.02768	0.8
373.13388	0.8
384.08932	0.7
385.09055	1.1
388.87692	0.6
388.98032	0.6
403.08591	1.2
420.73593	0.6
445.10413	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	444.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
55.01861	1.9
57.03437	13.1
57.07069	3.4
59.04992	1.2
61.02925	7.9
61.06358	0.9
67.05499	1.3
69.03432	15.4
70.06599	0.9
70.44625	1.8
71.04980	2.5
73.02914	4.7
73.04745	1.0
81.03424	5.9
81.04535	4.7
82.05320	2.0
85.02905	87.8
85.06544	15.7
87.04472	3.1
88.68039	0.8
91.03960	4.8
91.05801	0.9
91.63454	0.7
97.02894	25.5
98.97609	1.0
99.04454	3.8
101.05978	1.3
103.07582	100.0
104.07957	1.0
109.02887	7.0
115.07558	1.9
122.07158	21.6
123.08052	15.5
124.08315	7.7
127.03913	23.7
136.06158	1.5
145.04956	46.6
163.03958	1.0
163.06020	18.6
178.08618	1.7
281.10745	6.0
282.00812	0.8
282.10986	10.8
289.09128	1.9
325.11197	2.1
359.02817	1.4
444.16190	23.8
445.11447	1.5
445.18283	1.6
446.91476	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1107
Annotation	3'-O-Methylderhamnosylmaysin
Peak:m/z	Relative Intensity
50.44891	2.4
53.18556	1.8
54.95839	2.0
56.60703	2.2
57.03424	2.4
71.43752	2.7
73.68941	2.1
85.02901	7.3
97.02887	2.4
156.70262	2.2
445.11017	100.0
445.18256	24.7
446.11438	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	445.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01877	3.2
55.05481	1.6
57.03431	2.1
65.03931	5.5
67.05496	7.5
69.03434	8.2
69.46114	7.0
71.01344	2.2
71.04981	5.5
73.02913	2.8
73.04755	2.9
77.03916	4.9
79.05495	15.5
79.44701	1.8
81.03414	3.9
81.07044	4.6
85.02887	11.5
91.05446	18.2
93.03416	2.7
93.07053	20.1
95.04969	93.9
96.05322	2.2
97.02903	13.2
98.22728	3.4
100.40076	1.7
101.06823	1.7
103.05463	12.3
105.03412	4.5
105.04517	6.4
105.07028	13.7
107.04954	35.8
107.08572	5.5
109.06514	10.9
110.45969	1.8
111.04430	2.0
115.03915	4.9
115.05458	6.2
117.07013	24.6
117.07799	2.6
119.08564	6.6
121.02885	18.3
121.06505	31.1
123.04433	34.2
124.04008	1.6
125.02351	67.2
128.06239	4.1
129.06987	12.9
131.04942	12.0
132.05576	1.8
133.02887	3.7
133.04941	2.7
133.06500	3.7
133.09998	1.7
135.04355	2.8
135.08075	10.7
137.06021	2.2
139.03896	4.2
140.22844	1.7
142.68625	1.9
145.05029	1.5
145.05229	2.0
145.06493	28.7
147.04399	6.8
147.08054	9.4
149.02339	35.9
149.05975	36.6
149.64005	1.8
151.03902	83.0
153.05466	16.0
155.04916	2.1
155.06035	4.1
157.06470	3.8
159.04420	9.6
163.03908	3.8
163.07513	17.7
165.05415	3.1
165.62709	1.6
167.03427	8.1
167.06960	2.6
169.04959	7.1
173.05984	26.8
173.15088	1.6
175.03894	2.7
175.07576	9.0
177.05490	16.4
191.07047	29.7
193.08586	3.5
195.02919	8.4
195.04948	1.8
195.06514	13.6
201.05461	20.9
209.08061	2.6
213.03920	16.4
219.06519	19.7
237.07611	8.5
246.30843	1.7
247.05945	13.6
265.07065	39.9
266.07318	2.1
271.93005	1.6
283.08118	100.0
284.08481	4.7
323.45688	1.7
359.02859	3.0
414.90427	1.7
445.11115	4.6
445.16174	7.3
445.20593	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	445.172
Annotation	Rossicasin B
Peak:m/z	Relative Intensity
53.03947	0.5
53.79767	0.5
57.03452	0.4
61.56595	0.4
69.03435	1.1
70.06583	0.8
70.56145	0.8
71.16418	0.4
72.08157	0.5
79.05483	1.1
81.03395	2.0
81.51240	0.4
83.05005	0.4
85.02911	2.1
85.06534	0.8
86.09689	0.7
89.03914	4.7
95.04951	0.6
97.02910	0.7
104.02827	0.4
107.04328	0.4
107.04938	2.0
108.08149	0.4
109.02895	1.0
116.42899	0.4
117.03371	7.8
118.49210	0.3
119.04929	0.6
119.63960	0.4
120.08088	0.5
123.40817	0.3
127.03929	0.5
135.04416	13.5
135.05476	0.6
145.02855	11.1
145.03949	0.9
147.04460	1.9
160.32672	0.4
163.03902	100.0
164.04242	2.5
171.05573	0.5
181.04985	4.6
225.04665	0.4
244.34727	0.4
253.09871	1.2
265.10916	0.5
267.12881	0.5
283.11288	0.7
283.18375	0.4
301.11905	4.1
307.08139	2.3
315.09698	0.9
325.09140	5.0
343.12842	1.2
383.16068	3.7
385.13879	1.0
445.15918	28.2
446.15958	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25753	1.3
55.05510	21.4
57.03434	8.0
57.07069	9.6
67.05510	3.3
69.07068	26.7
71.08624	4.2
71.43092	1.3
73.04758	9.1
79.05491	2.3
81.07053	6.4
83.08616	20.1
85.10193	2.6
88.02206	4.6
91.05810	9.8
93.07049	3.1
95.08607	5.6
97.06540	2.3
97.10170	13.8
98.32763	1.3
98.98460	6.0
107.08605	4.5
109.10149	1.5
111.11743	2.9
112.53237	1.4
113.00050	1.3
114.07339	2.3
121.10173	2.2
124.07536	1.3
134.98184	100.0
135.11688	2.2
155.01022	3.6
157.21529	1.2
165.09164	1.7
167.05577	5.1
176.00882	3.0
183.04237	4.6
225.04352	1.8
256.76834	1.3
311.25781	31.9
333.23990	9.9
359.02872	9.7
367.23737	1.4
445.23315	79.6
445.28806	3.5
446.23465	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	445.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.6
55.05511	6.2
55.21479	1.3
57.03439	10.2
57.07068	2.0
61.90809	1.3
62.98264	2.0
63.22149	1.4
67.05505	21.6
69.07056	7.2
69.68443	2.7
69.68836	3.7
71.04996	3.2
71.08620	1.8
79.05493	24.6
81.03393	2.5
81.07056	29.3
83.08630	4.4
85.06551	2.7
86.37660	1.5
91.05470	24.9
93.07053	30.8
94.13515	1.3
95.04987	2.1
95.08607	21.1
97.06573	1.9
98.23376	3.0
99.08070	1.4
105.07035	23.8
107.08597	18.4
108.73169	1.4
109.06503	1.6
109.10191	7.9
113.00017	70.6
117.07032	6.4
119.08588	26.6
121.10150	14.6
123.11728	2.1
129.05501	5.1
129.07028	3.3
131.08554	12.2
133.10129	22.0
135.11687	12.7
143.08612	6.7
145.10126	13.4
147.11685	20.3
149.13290	9.1
151.25024	1.5
153.81288	1.4
155.07031	2.7
156.09402	1.3
157.10141	5.8
159.11681	12.0
161.09602	2.8
161.13257	18.7
163.11194	1.7
163.14804	3.0
165.09106	14.3
169.02637	7.4
171.11678	11.4
173.13316	7.9
175.11404	1.8
175.14807	15.4
185.13280	6.4
187.03688	12.9
187.14786	2.6
199.14827	4.1
215.17963	5.1
217.19580	6.1
219.81563	1.3
224.24663	1.5
231.21135	4.1
241.19508	34.2
243.21149	3.4
259.20563	35.8
277.21774	1.7
278.97482	1.4
303.23489	1.5
315.23145	3.9
333.24231	100.0
334.24585	4.8
427.22623	2.1
445.25089	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.0
59.62235	4.9
67.05525	7.4
69.07053	13.8
69.32516	19.9
69.32925	6.7
72.64220	4.6
74.06061	6.4
74.93763	5.9
79.05489	12.5
81.07048	17.3
83.08608	6.3
85.06517	5.8
86.30331	5.7
88.07587	5.3
88.84052	5.0
91.05476	14.9
93.07021	26.6
95.08611	22.9
97.10141	5.6
98.23381	6.8
105.07014	15.5
107.08592	21.8
109.10141	15.1
115.47549	4.7
119.08577	23.5
121.06489	5.2
121.10090	11.4
131.08571	9.0
133.10091	12.4
135.11717	11.7
145.10159	9.8
147.11710	9.4
159.11729	11.7
161.13223	9.5
163.14832	8.8
169.02620	100.0
169.03946	7.4
195.10016	8.9
201.16348	10.0
203.17982	11.9
219.17487	8.1
227.17946	6.1
247.13184	10.5
297.42413	5.3
387.21924	11.2
401.28467	5.8
405.23041	12.7
409.34555	25.7
410.34943	9.6
421.69266	5.4
427.36465	6.1
444.42001	97.8
445.24057	8.7
445.29474	25.2
445.42337	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76773	0.3
63.72445	0.3
71.93350	0.3
81.66132	0.3
165.09134	1.4
251.08978	0.3
317.06693	0.3
331.89874	0.4
427.24634	1.5
445.25607	100.0
446.25925	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	445.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00792	2.7
50.19193	2.8
53.03921	3.1
55.01867	7.4
55.05509	28.3
57.03437	31.5
57.07070	26.3
59.81153	2.6
67.05505	76.0
69.07070	42.0
69.95922	10.4
70.06584	7.6
71.01331	5.6
71.04977	5.6
71.08626	13.6
72.91016	3.1
73.02929	3.7
77.23743	3.0
79.05489	40.8
81.07054	84.0
82.07401	4.2
83.05001	3.9
83.08617	40.3
85.06541	20.0
85.10208	8.1
86.97405	3.2
91.05484	12.5
93.07050	49.5
95.08601	100.0
97.10164	45.3
98.22801	4.3
105.04549	3.6
105.07038	7.6
107.04928	5.3
107.07905	4.6
107.08586	29.0
109.10146	42.0
111.11723	19.4
117.05491	88.0
117.06959	4.8
119.08606	9.3
121.10138	37.4
123.11690	21.6
125.13303	3.5
129.05481	72.1
131.08554	9.9
133.10162	3.4
134.98183	5.8
135.08054	8.1
135.11693	18.4
137.13266	16.3
138.67319	3.4
143.07024	9.5
149.09616	5.9
149.13271	7.5
153.09120	5.7
153.16405	3.4
159.11754	9.1
177.09085	6.4
211.20659	3.0
249.25757	16.0
267.26840	51.8
275.27390	20.9
293.28360	10.4
299.27533	5.0
302.68695	3.1
308.29147	3.1
311.26202	3.1
311.29425	18.2
317.28357	7.9
317.82770	3.1
335.29599	10.6
384.38257	6.9
409.33160	57.3
445.23615	6.5
445.29630	6.6
445.40948	5.4
446.42142	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.05510	13.8
57.07069	10.2
57.58139	1.3
58.74689	1.2
60.01919	1.4
67.05498	6.3
69.07065	38.3
71.08632	6.7
79.05471	2.5
81.07056	13.5
83.08619	18.7
85.10172	1.9
90.23302	1.5
91.05472	2.7
93.07050	4.7
95.08607	12.1
97.10178	10.4
105.07003	2.1
107.08573	4.8
109.10172	8.6
111.11714	7.9
119.08569	3.6
121.10110	2.6
123.11717	3.0
125.13261	2.2
132.29436	1.5
135.08054	2.7
135.11687	1.5
137.09576	7.9
137.13210	1.7
139.07516	3.4
145.10150	2.2
149.09583	8.8
151.07538	1.9
161.09570	1.4
163.11113	7.4
165.09109	100.0
166.09441	2.6
173.09583	1.7
175.11032	2.3
177.09094	6.6
179.10637	3.2
181.08551	3.2
190.09781	1.8
191.10683	8.4
203.10669	8.4
203.14340	2.6
205.12239	13.0
219.13789	3.4
231.13753	3.2
243.02640	1.3
245.15411	2.5
289.21634	1.6
345.27719	2.5
371.29422	2.2
373.14566	3.2
409.35025	2.2
415.14896	1.9
417.16718	3.1
427.35706	25.2
428.35773	2.5
429.17535	1.9
430.17963	3.6
445.20459	41.4
445.37448	6.9
446.21088	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	445.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.05511	12.0
57.07076	5.8
62.88730	0.5
67.05494	3.3
69.07070	15.4
69.11401	4.0
71.08633	3.2
73.04748	0.9
79.05500	2.2
81.07048	7.4
83.04980	1.0
83.08620	12.6
83.21188	0.6
85.10187	1.2
91.05428	0.8
93.07046	3.4
95.08595	5.9
97.10175	5.4
98.22693	1.0
105.07047	1.4
105.56824	0.6
107.08602	2.8
109.10163	6.6
111.08102	0.7
111.11721	3.6
117.07003	0.9
119.08598	3.8
121.06492	0.7
121.10162	2.1
122.07243	1.1
123.11709	1.4
124.76925	0.6
125.13255	1.2
131.08571	0.8
135.08064	2.1
135.11641	1.5
137.09621	9.4
137.13260	1.2
139.07503	1.4
145.10161	1.0
145.84137	0.6
149.09613	8.4
149.13245	1.3
151.07539	1.1
151.14804	0.7
159.11734	0.9
161.09624	1.2
163.11194	4.8
164.11687	0.6
165.09111	100.0
166.09462	2.3
170.10939	0.8
171.11830	0.8
173.09558	0.8
174.10405	1.1
175.07443	0.7
175.11185	3.0
176.08150	1.1
177.09114	4.7
177.12695	1.0
179.10657	1.2
185.13295	0.8
187.11139	2.1
189.09090	2.0
189.12779	2.0
190.09911	1.8
191.10667	6.3
199.11171	0.9
201.12688	1.3
203.10640	6.3
203.14279	2.4
205.12244	11.3
217.12213	1.8
217.15660	0.6
219.13786	2.8
229.12151	0.7
231.13795	4.1
233.15422	0.8
245.15312	1.2
275.27408	1.1
289.21606	1.5
301.21582	1.6
345.27832	2.0
359.02863	1.0
409.34821	0.9
427.35751	9.9
445.36957	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3678
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
55.05510	5.5
57.07069	2.6
60.68116	1.9
67.05512	10.2
69.07069	16.8
70.52569	4.0
79.05478	9.8
79.66434	2.0
81.07053	16.3
83.08607	5.3
91.05482	8.2
93.07052	20.5
95.05008	1.7
95.08606	28.1
97.06537	2.3
97.10174	8.9
100.94543	2.1
105.07034	16.5
107.08597	35.7
108.08983	2.1
109.06583	1.9
109.10152	19.3
111.11711	3.0
119.08576	24.4
121.10141	22.2
123.11709	7.1
125.09686	2.7
125.48734	1.9
131.08562	6.2
133.10106	15.3
135.11697	19.5
137.13196	2.2
139.11201	6.0
143.08659	2.0
145.10143	12.6
147.11688	12.5
149.13248	6.9
151.11278	1.8
153.12741	4.3
157.10115	3.5
159.11705	16.2
161.13264	9.6
163.14777	19.5
165.09171	2.8
169.02640	5.4
171.11667	2.2
173.13281	8.1
175.14807	5.8
177.16353	4.1
179.14377	2.4
181.15831	17.6
183.11742	1.7
187.14806	12.6
189.16351	4.1
191.18002	5.7
201.16393	27.9
201.73184	1.9
203.17932	27.5
213.16505	4.9
215.18040	4.9
219.17447	32.9
227.17857	6.3
229.19630	2.2
237.18510	17.8
241.19672	3.2
247.20648	2.7
253.19508	3.6
254.53693	2.0
265.21603	2.0
281.22510	2.4
283.24225	3.8
315.16061	2.2
315.19138	11.1
332.62943	2.1
377.82114	2.3
391.33566	12.2
409.34628	100.0
410.35022	9.1
421.56430	2.0
427.35687	19.6
441.05887	2.0
445.29294	6.6
445.36664	16.2
445.41940	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	446.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35847	0.8
53.03951	1.6
55.01875	2.1
57.03447	1.5
59.05000	2.4
61.02932	1.1
61.36237	0.9
67.05504	3.8
68.05023	3.5
69.03099	0.9
69.03429	5.1
70.06590	12.0
70.98450	1.3
71.04992	1.6
73.04750	2.6
74.02444	26.8
79.05489	5.4
80.05030	7.3
81.03436	4.5
81.07055	3.1
83.01371	1.0
85.02913	9.6
86.09691	1.5
91.05401	5.8
93.07058	3.5
94.06567	2.2
95.04972	32.3
95.08617	4.5
96.08142	1.2
97.02910	5.0
103.05480	1.8
103.07568	2.3
105.03427	1.2
105.04480	0.9
105.07037	8.5
106.06542	2.4
107.04956	13.3
108.08094	1.1
109.02893	4.1
109.06535	3.5
109.91428	0.9
114.05490	1.4
115.04009	1.0
115.05458	1.4
116.07084	1.7
117.07034	1.6
118.88797	0.9
119.08582	6.4
121.06539	4.8
121.10055	1.0
122.06039	2.0
123.04433	15.1
123.08055	1.9
124.07618	1.3
125.02355	10.3
125.03754	1.0
125.05949	1.1
126.05511	20.2
127.03938	2.0
128.06190	1.5
128.93230	1.0
129.06989	6.1
131.04959	2.7
131.08617	4.8
132.08093	3.7
133.02852	2.0
133.06491	4.0
134.09650	1.8
135.04439	4.2
135.10178	2.8
141.05490	3.8
145.04956	2.2
145.06508	1.9
146.09645	2.2
147.04416	1.7
147.08041	14.6
148.07544	1.9
148.11174	1.2
149.05994	4.0
149.09648	2.7
150.05511	7.2
150.09152	3.2
151.03908	53.2
151.07483	1.1
152.07065	3.6
153.05486	9.1
156.08092	2.3
157.06499	3.5
159.04430	3.5
161.05988	1.6
163.03899	6.5
163.07549	1.3
165.09264	1.0
167.03465	1.0
167.05519	1.8
168.06609	2.5
169.04951	2.9
170.08032	0.9
173.05936	1.3
174.09099	5.9
175.07553	7.7
176.10724	3.5
177.05444	6.9
177.09138	3.9
178.08670	5.3
179.03365	1.3
179.07161	1.1
185.06055	2.1
191.07030	3.7
192.10207	4.1
193.08586	7.3
194.11823	5.2
195.06532	8.5
196.06018	4.9
196.09724	1.2
197.08086	1.0
202.08655	8.3
203.07039	3.7
209.08212	1.0
211.05945	1.0
211.09697	3.3
213.07608	3.1
214.07121	4.9
220.09692	23.6
221.08064	3.8
222.11264	6.1
231.06761	0.9
238.10745	52.1
239.11137	2.4
240.12143	1.4
248.09189	7.0
256.11859	1.3
266.10226	26.8
267.08578	2.7
284.11292	100.0
285.11667	3.7
326.12314	1.4
359.02832	1.0
360.02783	2.6
402.19241	1.1
446.11743	2.9
446.17078	3.6
447.13971	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	446.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99852	0.8
53.03938	1.8
53.53994	0.6
53.86882	0.6
55.01872	8.2
57.03435	18.1
59.05004	1.8
60.04515	0.8
61.02926	19.2
64.95098	0.7
69.03429	33.2
69.11301	2.7
69.11710	1.8
71.01340	5.1
71.04987	2.3
73.02915	100.0
81.03423	6.0
81.42902	0.8
83.04938	0.7
85.02902	82.2
86.03266	0.9
87.04468	6.2
89.46918	0.7
91.03954	3.4
96.04507	1.1
97.02891	60.6
99.04446	3.3
103.03963	2.9
107.04951	1.6
109.02876	7.7
115.03926	34.9
123.32681	0.8
127.03911	28.9
132.06581	1.7
133.04962	44.4
135.08035	1.5
144.06569	1.4
145.04955	49.3
150.07623	7.5
155.58051	0.7
157.05093	0.8
162.07584	0.9
163.03946	1.4
163.06020	17.6
163.07309	1.3
171.08087	2.1
180.08662	5.9
187.51582	0.7
193.05038	2.8
199.06076	2.4
201.09111	1.9
205.07201	0.8
213.09154	0.9
217.07120	2.5
223.06007	7.0
231.10229	0.8
241.07092	9.5
243.10204	0.8
259.08060	7.8
261.11282	1.1
277.09238	2.7
294.11703	0.9
295.10297	1.9
314.15903	1.4
384.55087	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01873	1.4
57.03437	32.7
59.04999	4.5
60.04523	2.2
61.02930	7.4
69.03429	70.6
70.03742	0.7
71.01362	1.8
71.05019	0.5
72.22009	0.5
73.02917	34.4
75.04472	1.8
81.03410	3.0
85.02905	65.1
87.04467	44.4
91.03942	2.5
94.97744	0.5
97.02892	69.8
98.03236	0.7
98.22575	1.1
99.04461	2.7
103.03960	1.5
105.87479	0.5
107.04944	1.1
109.02882	2.3
111.04475	0.6
115.03929	97.2
116.04247	1.2
123.04444	0.7
127.03918	13.0
131.04942	0.5
131.08588	1.1
132.06577	1.0
133.04964	100.0
134.05309	1.0
135.08089	1.4
139.03854	0.6
144.06590	1.7
145.04961	21.5
147.08112	0.9
150.07620	18.5
151.03967	0.7
151.06000	0.6
159.08012	1.3
161.04445	1.0
162.07614	1.4
163.06000	7.0
169.04958	2.0
171.08046	2.8
177.05472	0.8
180.08669	4.8
187.06015	1.6
193.04961	1.4
199.06093	0.5
201.09099	2.4
204.94344	0.5
205.07071	0.6
211.05981	1.0
213.09132	1.3
223.05914	2.9
228.28246	0.5
231.10243	0.8
241.07069	3.6
243.10031	0.6
259.08139	5.8
261.11191	1.6
277.09146	3.1
295.10190	2.1
304.74435	0.5
329.90121	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1475
Annotation	Paeonovicinoside
Peak:m/z	Relative Intensity
50.11913	0.3
50.41620	0.3
56.96564	0.4
62.25830	0.3
69.63607	0.8
76.17283	0.3
92.70421	0.3
95.04981	0.6
109.68938	0.3
117.29996	0.3
135.04434	0.6
151.03894	0.6
153.05359	0.4
163.03929	1.7
218.86873	0.3
246.27722	0.3
267.08698	0.6
285.09775	0.4
315.10480	7.2
317.08328	1.5
335.09457	0.8
383.12402	0.3
447.14703	100.0
448.15051	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	447.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	1.2
51.02377	1.1
53.03946	1.5
54.34596	1.1
55.01875	3.7
67.05502	7.0
69.03430	3.9
69.48609	4.7
71.01358	1.8
71.04985	2.2
77.03928	2.5
79.05501	12.5
81.03428	6.9
81.07045	4.7
85.02904	3.9
86.09698	1.3
87.04478	5.9
91.05482	15.9
93.07041	3.2
95.04967	45.9
95.08607	6.0
97.02898	5.4
99.04474	3.4
103.05473	3.7
105.03389	3.5
105.04521	3.9
105.07027	24.0
106.61113	1.0
107.04950	13.8
107.08617	2.1
109.02858	2.5
109.06518	4.9
111.44708	1.1
115.03934	2.9
115.05460	4.3
117.07019	6.1
119.04948	2.5
119.08578	9.3
121.06508	5.4
123.04433	28.1
123.08065	3.3
125.02352	23.6
125.05972	1.5
127.03909	3.8
128.06244	4.0
129.07004	15.5
131.04944	4.3
131.08572	5.0
132.05682	1.9
133.02846	12.7
133.06485	19.8
135.04405	7.4
137.05983	2.4
141.05467	2.1
141.06978	2.0
145.06473	3.9
145.46613	1.1
147.04378	1.2
147.08038	26.9
147.09164	1.8
149.05962	8.6
150.05545	1.7
151.03900	100.0
151.07555	4.7
152.04286	2.5
153.04228	2.2
153.05463	41.2
153.06677	2.2
157.06500	13.7
157.07701	1.7
159.04408	12.9
159.08092	1.7
161.02333	6.1
161.05952	7.6
163.03955	6.5
165.05505	1.3
169.04959	11.3
173.06001	1.4
175.03877	1.3
175.07544	19.6
177.05476	6.7
177.09163	1.2
179.03453	2.7
179.07057	4.3
185.05965	9.0
187.07552	2.1
193.08630	7.2
197.04434	8.3
197.05977	1.1
197.08116	4.0
203.07022	18.3
213.05449	1.9
215.05472	5.9
221.08084	24.6
231.06631	5.1
239.09137	41.4
239.11526	2.4
249.07574	14.5
267.08643	44.2
268.09085	1.7
285.06476	1.9
285.09677	39.9
302.48380	1.3
431.25601	1.2
447.17776	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1499
Annotation	Bungeiside D
Peak:m/z	Relative Intensity
51.02372	1.1
53.03942	2.6
55.01871	3.1
65.03927	1.7
67.05502	7.7
69.03420	5.6
69.34917	4.8
71.05006	3.2
73.02907	1.8
77.03948	3.5
79.05489	14.2
81.03432	8.6
81.07050	3.3
83.01353	2.0
85.02910	6.8
87.04440	6.4
90.62823	1.2
91.05476	22.2
91.05994	2.0
93.07060	4.8
95.04968	59.5
95.08604	4.6
97.02895	4.6
99.04470	2.5
103.05482	3.8
105.03395	4.3
105.04527	3.7
105.07034	24.1
107.04947	15.3
107.08612	2.9
109.02930	2.2
109.06528	8.5
115.03927	3.1
115.05491	2.3
116.06223	1.4
117.07021	4.2
119.04940	2.0
119.08588	13.1
121.06509	8.8
123.04429	30.2
123.08061	4.3
125.02345	20.9
125.06016	2.6
127.03908	3.5
128.06215	5.8
129.07008	24.2
131.04900	6.6
131.08554	6.6
132.05757	1.8
133.02850	11.5
133.06491	29.7
133.07495	1.5
135.04410	9.7
137.06006	1.8
141.05516	1.3
141.06958	1.6
145.06506	5.3
147.04398	2.8
147.08047	37.0
148.08333	1.2
148.50488	1.1
149.05992	8.1
151.03902	100.0
151.07498	6.1
152.04277	1.9
153.05469	23.2
157.06500	14.0
159.04395	16.3
159.08064	2.6
161.02379	6.2
161.05992	8.5
163.03812	2.2
165.09082	1.1
169.04968	12.8
173.05949	2.4
175.07550	26.7
177.05470	12.5
177.08971	1.8
179.03459	3.8
179.07062	4.9
185.04524	1.6
185.06007	11.4
187.07562	3.9
189.05298	1.3
191.06927	1.4
193.08629	9.2
195.06532	4.5
197.04466	12.0
197.08122	4.0
203.07042	27.5
213.05495	3.3
215.05505	4.6
221.08076	35.6
231.06538	10.5
239.09143	37.9
240.09485	2.2
249.07573	34.2
267.08636	85.4
268.09119	2.5
285.09689	62.1
286.09860	1.6
447.17725	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36071	0.3
61.45712	0.3
67.05501	0.5
69.03432	1.6
70.00481	1.2
71.25816	0.3
74.31856	0.4
77.03925	0.4
79.05492	1.5
81.03419	1.6
83.39379	0.4
85.02934	1.8
86.09706	0.6
87.04452	0.9
89.03917	4.2
91.05474	0.9
91.12507	0.3
95.04980	2.7
97.02883	1.2
98.22800	0.6
98.97570	0.6
105.07079	0.8
107.04935	2.1
109.02845	1.0
115.03918	0.6
117.03381	6.1
119.08566	0.4
123.04427	1.2
124.03945	0.6
125.02356	0.9
127.03889	0.8
129.07031	0.6
129.96182	0.4
131.08612	0.4
133.02843	0.7
133.04950	0.9
133.06425	0.6
135.04416	13.1
145.02847	11.3
147.08049	1.3
151.03876	3.3
151.07483	0.4
153.05478	0.8
157.06456	0.7
158.24754	0.4
159.04436	0.6
163.03900	100.0
164.04224	2.9
169.05048	0.6
175.07524	1.1
177.05508	0.5
181.04929	2.2
197.26433	0.4
203.07024	1.0
221.08064	1.3
226.48389	0.4
239.09164	0.5
249.07599	1.0
267.08615	2.2
285.09729	2.0
307.08090	2.9
325.09180	3.2
447.18036	7.9
448.18646	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.1
55.01857	4.2
55.05511	9.1
56.12900	2.4
57.03444	15.8
57.07090	3.1
58.98936	2.0
61.02927	8.9
65.03950	2.4
67.05510	15.3
69.03429	52.0
69.07063	7.2
70.24377	4.7
71.04996	7.3
73.02914	16.0
79.05492	26.6
81.03436	11.3
81.07054	42.0
83.04978	8.5
85.02907	49.9
85.06542	3.1
87.04469	27.1
90.58137	2.1
91.03966	7.4
91.05482	36.7
91.40765	2.4
93.07045	100.0
95.04964	22.8
95.08606	29.3
97.02895	44.1
97.06519	4.9
99.04475	9.2
101.00381	2.4
103.03938	3.1
105.04557	4.5
105.07034	46.9
107.04980	3.6
107.08595	99.4
107.29583	2.3
108.78468	2.0
109.02856	5.4
109.06512	13.0
109.10149	13.7
111.04449	6.8
113.06051	2.5
115.03929	33.9
117.07044	11.1
118.07372	2.9
119.08591	24.0
120.08080	3.4
121.06528	7.1
121.10153	46.0
121.39477	2.3
123.08094	3.5
123.11700	3.7
125.05927	2.3
127.03935	9.3
128.06308	2.2
129.05511	2.8
129.06935	4.7
130.07765	3.0
131.08557	9.0
133.04964	40.7
133.10143	24.2
135.04379	4.0
135.08080	6.1
135.11691	70.2
136.12004	4.0
137.05960	3.8
137.13249	4.1
142.07779	3.5
143.08556	11.1
144.09337	2.4
145.04973	8.9
145.10143	15.1
147.04411	4.7
147.06761	3.3
147.08020	4.5
147.11688	13.5
149.05980	2.6
149.13278	8.5
151.03961	2.7
151.07516	2.9
153.12683	11.1
155.08521	3.2
157.10104	5.6
159.07997	2.3
159.11702	12.3
159.12776	2.2
161.09702	4.6
163.03914	6.0
163.06108	2.4
163.07494	3.4
163.11171	2.7
165.12781	3.8
171.11716	2.8
173.08125	4.8
173.13275	3.1
175.11195	6.3
177.05357	2.8
177.12737	28.3
183.11639	4.4
185.08028	4.9
185.13173	3.1
189.12608	2.7
191.10634	2.4
193.12325	2.6
195.11714	3.4
201.12756	3.0
211.74818	2.5
213.12747	5.2
219.13847	6.9
231.13821	10.3
237.14856	2.7
249.14839	12.6
267.15918	16.5
285.16904	8.0
297.17004	3.3
315.18054	4.1
447.18304	2.6
461.90918	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	5.4
57.03437	9.4
57.07076	29.7
58.15110	0.7
59.25345	0.7
67.05511	7.1
69.07074	5.3
71.08633	21.0
79.05512	1.2
79.18773	0.7
81.07054	9.3
81.54919	0.8
82.40435	0.8
83.08639	5.7
85.10184	10.2
88.02229	2.5
89.06046	1.7
91.05859	1.0
93.07050	1.9
95.08604	12.2
97.10177	3.2
103.07602	1.4
105.07045	0.8
109.10162	4.0
110.47124	0.8
116.93567	0.8
117.09103	0.9
119.08585	1.4
120.07761	0.8
123.11724	1.8
123.27253	0.8
134.98186	100.0
152.99304	1.3
161.53119	0.9
165.09152	2.2
176.00879	2.9
192.59943	0.8
209.01906	3.3
239.23804	1.3
257.24808	1.5
313.27365	54.0
314.27780	2.7
335.25632	4.9
343.86398	0.8
353.26703	1.1
361.02625	1.5
429.24026	1.8
447.24847	96.2
448.25156	3.4
452.13730	0.8
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	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01872	10.3
55.05514	40.3
57.03439	49.9
57.04931	1.3
57.07074	12.1
59.34302	1.3
65.03925	1.5
67.05506	56.3
69.07068	37.5
69.24952	2.9
69.25342	5.3
71.08628	4.9
73.02914	1.8
79.05492	27.7
81.07058	57.6
83.08620	30.9
85.10163	2.8
91.05487	13.2
93.07048	33.2
95.04971	2.5
95.08611	42.6
97.06524	2.6
97.10176	15.9
98.98470	53.7
105.07034	10.3
107.08599	18.7
109.06487	2.0
109.10158	17.0
111.08054	1.9
111.11725	3.9
113.00015	73.6
114.09245	1.4
117.07024	3.3
117.15508	1.3
119.08570	9.2
121.10140	14.9
123.11700	5.4
125.09632	1.4
129.05457	1.8
131.08554	5.0
133.10132	6.4
135.11702	10.9
136.99992	54.4
137.13235	2.7
138.44278	1.6
145.10135	5.8
147.11697	5.7
149.13269	6.6
153.64157	1.2
154.99147	1.6
155.01044	37.4
159.11716	5.4
161.13181	3.5
163.14812	4.5
169.02623	23.5
173.13271	5.4
177.16455	1.9
187.03644	8.0
187.14697	2.0
193.02563	9.1
203.74727	1.3
211.03687	8.1
237.22136	7.9
243.21106	6.0
261.22119	17.4
287.15991	1.8
311.25797	38.7
312.26306	1.7
317.24701	6.6
335.25793	100.0
336.26053	3.5
446.41995	5.4
447.25049	89.1
447.42026	3.2
448.25232	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	447.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	10.8
55.05508	35.9
57.03435	47.0
57.07076	11.3
67.05501	39.3
67.05865	1.8
69.07063	40.9
69.20274	4.8
71.04963	1.2
71.08626	6.6
75.30383	1.0
77.18723	1.0
78.12824	1.1
79.05487	23.0
81.07051	43.7
83.08611	25.4
85.10172	2.3
91.05468	9.0
93.07040	25.1
95.04939	3.0
95.08600	29.9
96.08929	1.0
97.06514	3.8
97.10159	16.1
98.98463	58.6
99.08110	1.6
105.04469	1.2
105.07024	7.9
107.08586	15.1
109.10162	14.9
111.08073	2.1
111.11706	6.6
113.00005	57.3
117.07031	2.9
119.08572	7.4
121.10151	14.9
123.08040	1.2
123.11674	6.5
125.09618	1.3
131.08549	4.5
133.10115	5.1
135.11688	10.5
136.99979	61.0
137.13245	2.4
145.10143	3.7
147.11673	3.9
149.13242	4.8
155.01028	44.3
159.11662	2.0
161.13193	2.4
163.14871	1.9
169.02582	13.9
173.13257	3.0
181.02490	1.1
187.03653	5.3
187.14740	1.7
193.02596	8.0
211.03656	8.2
219.21063	1.3
237.22105	10.2
243.21019	5.9
261.22116	10.0
310.56253	1.1
311.25763	43.8
317.24811	4.4
333.79999	1.0
335.25772	69.0
336.26059	3.6
429.32007	2.4
447.25043	100.0
448.25372	4.4
448.31107	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57328	1.3
55.01857	2.5
55.05514	9.0
55.99527	1.3
56.52337	1.5
56.96569	3.6
57.03438	10.9
57.07076	1.7
62.98240	1.7
67.05508	47.9
69.07067	5.0
79.05496	26.6
80.79619	1.4
81.07061	46.0
83.04971	1.5
83.08616	4.7
83.56993	1.3
91.05472	14.5
93.07050	31.3
95.04988	3.3
95.08607	33.7
97.06532	1.7
105.07050	11.5
107.08601	18.6
109.10168	15.6
111.08091	1.3
113.00024	51.5
117.07018	6.6
119.08583	9.1
121.10150	15.4
123.11722	5.6
127.38522	1.3
129.05420	1.6
131.08577	7.6
133.10143	7.9
135.11717	9.0
137.09581	2.0
137.13223	2.1
145.10135	7.1
147.11685	4.2
149.02356	2.8
149.09653	1.7
149.13278	5.0
159.11699	5.5
159.12961	1.4
161.13287	3.8
163.11128	1.4
163.14838	3.5
169.02609	19.1
173.13327	6.6
175.14851	3.9
177.16290	2.5
187.03658	6.9
235.13065	16.5
243.21078	14.1
244.21556	1.6
255.09177	1.5
261.22101	18.6
269.10675	4.9
285.10150	3.3
287.11713	2.7
289.04984	3.3
317.24768	5.3
335.25824	100.0
336.26184	6.0
349.16711	2.3
367.17926	4.9
405.13602	2.1
430.12057	4.4
447.14209	4.7
447.22354	1.5
447.27277	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	447.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99868	2.9
60.53193	0.5
67.05507	0.8
69.07049	1.4
69.28340	2.4
71.08653	0.5
74.56104	0.5
77.00494	0.9
77.00908	11.9
78.00981	0.5
81.07053	1.1
83.08625	1.0
93.07007	0.6
95.01959	5.4
95.04980	0.6
95.08574	0.9
98.23450	1.2
107.08626	0.7
111.11683	0.8
123.11748	0.5
130.03922	0.6
149.02315	0.7
151.24872	0.5
173.06560	0.8
179.09134	1.3
186.51926	0.5
187.08159	0.5
191.95900	0.5
197.10240	11.3
201.09795	1.1
203.09155	0.7
209.10286	2.0
213.09740	0.6
215.11288	57.5
216.11455	3.1
219.10817	0.8
220.11720	0.9
223.11787	1.5
227.11331	3.2
229.71843	0.5
231.85544	0.5
233.10020	1.0
233.12340	13.5
235.11703	3.9
238.12877	2.9
241.12845	3.4
251.42538	0.5
253.12843	38.7
254.13100	2.3
271.13901	52.6
272.14072	3.3
276.14407	4.7
294.15485	2.5
447.25916	100.0
448.26303	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	447.272
Annotation	Tyromycin A
Peak:m/z	Relative Intensity
59.60745	1.1
62.53751	1.1
64.97808	1.1
67.05496	2.1
68.29567	1.2
79.05487	1.8
81.07059	3.3
91.05469	1.4
93.07021	1.7
95.07148	1.0
95.08646	1.9
107.88081	1.2
113.00031	3.9
117.21437	1.0
121.10197	1.5
131.08525	1.4
165.87157	1.1
235.13045	93.7
236.13295	3.3
269.10626	1.7
291.08737	1.6
335.25858	3.4
376.90967	1.2
387.14526	1.6
405.15390	1.4
447.27191	100.0
448.27560	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	447.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35162	0.5
55.05517	2.6
57.07058	1.2
65.03912	0.5
67.05509	3.9
68.01960	0.5
69.03394	0.6
69.07062	3.6
69.31441	2.9
71.04990	0.6
79.05491	3.4
81.07059	5.9
83.08603	3.2
85.06535	0.8
91.05473	4.8
93.07047	7.3
95.04947	1.2
95.08602	8.8
97.06518	0.6
97.10160	0.9
99.08053	0.5
105.07023	8.2
107.04925	0.6
107.08591	20.5
107.23505	0.5
109.06497	2.4
109.10154	4.8
117.06996	2.0
119.08578	23.1
121.06508	3.5
121.10145	13.6
123.08064	5.7
123.11685	1.4
129.06920	0.8
130.07755	0.5
131.08554	5.7
133.06467	0.8
133.10129	18.4
135.08046	2.6
135.11684	2.9
137.09604	3.8
142.85832	0.5
143.08522	1.7
144.09302	1.3
145.10115	20.4
146.10464	0.8
147.08043	1.9
147.11676	6.2
149.09608	4.5
149.13210	0.9
157.10141	3.9
158.10873	3.0
159.08005	0.8
159.11693	14.6
161.09659	2.9
161.13255	3.3
163.11121	0.7
163.14812	1.5
165.09113	2.3
167.10677	3.9
168.44774	0.5
171.11652	0.7
172.12448	3.7
173.09595	1.6
173.13246	2.7
175.11151	1.7
175.14818	6.9
177.12709	1.3
177.16414	2.9
182.10939	0.7
185.13231	2.9
187.14818	25.9
188.15166	1.0
189.12677	0.9
189.16370	1.6
191.10634	0.7
197.13248	1.7
199.14676	0.6
201.12790	1.2
203.14316	15.9
205.15895	3.1
213.12721	1.1
215.14307	26.3
216.14636	0.5
217.15916	3.7
221.13304	0.7
229.15880	0.9
233.15355	99.2
234.15683	2.4
235.16971	2.3
241.15688	0.7
243.17462	0.5
251.16489	0.7
253.15941	0.7
261.18436	1.5
293.22757	0.7
309.25757	0.5
325.25192	2.0
337.25201	3.8
343.26318	5.2
349.16934	0.8
349.23816	1.0
355.26297	12.7
373.27359	100.0
374.27740	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	447.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	2.3
56.96555	6.7
57.03428	2.0
60.55396	2.0
67.05495	7.2
69.07066	4.9
70.33212	4.1
79.05484	6.8
81.07047	13.2
83.08622	3.2
87.03651	2.4
91.05468	4.6
93.07039	9.3
95.08614	11.6
105.07025	4.3
107.08578	13.1
109.10159	6.8
113.00022	6.6
119.08597	10.6
121.10135	14.2
123.08102	3.4
123.11730	3.0
126.02707	2.3
131.08543	6.8
133.10104	11.0
135.11641	4.2
145.10141	20.5
147.08063	2.9
147.11774	3.2
149.02324	2.8
149.09619	3.4
149.13257	2.5
157.10042	2.9
159.11716	15.6
165.09048	2.2
172.12474	2.9
175.14780	5.3
182.63185	1.9
187.14778	21.8
189.12767	6.2
191.14325	4.5
203.14323	4.5
213.07889	3.5
215.14368	8.0
217.07574	3.1
229.07474	13.2
231.08980	3.8
233.15337	86.2
234.15616	2.2
235.13023	13.8
247.08540	9.8
256.11899	2.6
261.22018	3.5
309.03220	2.2
327.04126	9.4
329.24753	2.8
331.96884	2.5
335.25793	16.0
345.05264	7.8
349.16888	12.0
355.26218	5.3
367.17963	3.6
373.27368	100.0
387.12491	7.3
429.06509	5.6
447.08185	2.6
447.14063	13.7
447.27216	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.2
57.03410	0.3
57.46895	0.4
60.95447	0.3
69.03430	2.1
69.65164	1.3
71.04976	0.3
79.05488	0.7
80.37693	0.3
81.03425	0.8
81.07051	1.6
83.08624	0.4
85.02908	2.1
86.13185	0.3
87.04459	0.9
89.03933	0.8
95.04960	0.4
97.02878	0.9
98.06042	0.8
98.22704	0.5
105.07011	0.4
107.04939	0.5
108.08083	0.6
109.02894	0.6
109.06509	1.6
110.06057	0.5
115.03994	0.7
117.03378	1.4
117.07027	0.4
123.04443	0.4
124.07581	1.4
125.04254	0.3
126.09110	0.8
127.03927	1.2
132.72261	0.3
133.04973	0.9
135.04393	2.8
139.06288	0.5
145.02882	2.1
151.98595	0.5
154.08626	100.0
155.08969	2.4
163.03903	26.5
163.05305	0.8
164.04218	1.0
167.07039	0.4
181.04893	1.1
181.12263	1.2
197.08119	0.5
198.72308	0.3
233.15446	0.5
287.05447	8.9
307.08179	1.0
316.13943	0.8
325.09149	1.9
448.18872	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01865	0.6
61.28838	0.4
69.03426	1.5
69.35499	2.3
70.06596	0.6
71.05004	0.7
79.05499	0.5
81.03421	3.5
85.02898	2.2
87.16135	0.5
89.03896	3.1
89.06040	3.5
90.71593	0.6
91.05468	0.6
95.04973	0.7
97.02911	2.7
98.22668	1.1
99.04446	0.7
103.05448	1.2
107.04958	1.5
109.02872	2.3
117.03384	4.6
119.04921	1.2
121.02842	0.9
121.06464	0.6
124.03928	1.0
127.03920	1.2
131.04938	4.7
133.05049	0.5
135.04419	10.8
135.06538	0.7
137.05960	2.0
143.92653	0.5
144.97977	0.5
145.02861	10.7
151.07559	1.9
154.08603	1.1
156.07059	0.5
163.03905	100.0
163.07503	3.7
163.11177	1.1
164.04230	3.0
167.06950	0.6
177.05452	0.7
181.04958	3.3
181.08578	1.2
181.12260	1.6
189.05464	0.6
211.09610	0.5
233.15512	0.6
237.07634	1.9
250.91603	0.6
251.16484	0.8
261.09662	0.9
269.10324	1.4
269.13770	0.9
287.05640	3.7
307.08112	4.2
325.09225	8.4
326.09476	0.8
343.96780	0.5
448.18710	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
55.01852	3.8
57.03432	7.5
60.05656	3.4
61.02909	4.4
64.58750	2.1
65.03943	2.4
69.03424	24.4
69.95544	2.3
71.01371	2.3
71.04990	21.0
71.45412	2.5
73.02910	2.9
75.60547	2.5
79.05511	6.6
81.03417	4.8
81.07057	2.7
83.04982	4.8
85.02905	45.6
87.04466	8.3
91.05478	9.9
93.03402	4.7
93.07055	10.8
95.04961	33.4
97.02888	19.3
98.57806	2.5
99.04449	3.5
103.05473	6.4
105.07021	6.6
107.04948	18.1
107.08588	8.5
108.08927	3.3
109.02878	4.7
109.06518	2.6
110.44300	2.3
111.04442	4.7
115.03941	13.6
115.05431	8.8
117.07017	26.5
119.08549	5.7
121.02883	14.0
121.06508	10.7
123.04398	21.9
125.02355	6.6
127.03928	6.9
129.05467	10.3
129.07028	3.8
131.04951	9.3
133.04919	11.4
133.06503	3.0
135.08058	10.6
135.11613	2.8
137.06032	4.9
139.03934	5.7
145.05037	5.1
145.05219	3.8
145.06461	41.0
147.06505	6.1
149.02280	12.4
149.05971	11.7
151.03961	3.0
153.01910	3.6
155.06026	3.7
159.04420	15.7
163.07547	30.9
167.03360	17.0
167.07025	3.1
173.05968	30.5
175.03946	2.9
175.07524	5.8
177.05415	5.3
185.04462	7.1
186.49039	2.4
191.07031	51.9
199.05968	13.3
201.05511	6.0
205.08646	12.9
209.08252	3.9
219.06506	48.4
223.09613	4.0
237.07578	76.4
238.08014	3.0
251.09099	10.6
251.66856	2.4
255.08701	3.5
269.10187	26.8
287.05496	100.0
331.25601	2.5
366.69611	2.7
449.14349	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	448.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
55.05505	0.6
57.03434	2.4
61.02939	0.6
63.76613	0.5
64.76002	0.5
67.05495	1.0
67.66475	0.5
69.03431	5.0
69.07066	2.3
69.14050	3.5
71.04994	0.8
73.02919	3.2
76.99715	0.5
79.05484	4.3
81.03412	1.0
81.07069	4.8
83.04985	4.4
84.98775	0.6
85.02914	5.5
87.04473	0.8
89.03898	0.7
91.05454	3.5
91.68706	0.6
93.07047	6.5
95.04950	3.1
95.08614	2.9
97.02901	5.4
97.06532	3.7
99.04459	1.2
100.02071	0.5
103.03845	0.5
103.05452	0.8
105.07021	8.6
106.06621	0.6
107.04960	3.4
107.08599	4.0
109.02879	1.3
109.06512	4.2
114.86510	0.5
115.03908	4.0
117.07030	2.5
119.04970	2.7
119.08578	23.8
121.06503	6.0
121.10143	2.5
124.72817	0.5
125.05984	5.2
127.07521	0.7
129.07008	1.2
131.08572	2.4
133.04967	2.7
133.06479	0.9
133.10130	2.4
135.04420	2.0
135.08076	1.7
135.11700	3.2
137.05989	3.9
139.07510	1.2
143.07062	4.1
143.08568	1.1
144.09320	0.6
145.05035	0.6
145.06444	1.4
145.10117	10.8
147.08022	0.8
147.11708	2.0
149.05991	1.5
149.09575	1.9
151.07556	1.1
152.06834	2.2
153.01816	5.5
155.08524	0.8
157.08607	2.1
157.10123	0.8
158.07298	0.7
159.08086	1.2
159.11691	6.4
161.09666	1.2
161.13278	0.9
163.03845	1.1
163.11176	13.4
165.05515	2.7
169.10147	1.8
173.09616	9.7
177.05473	0.8
177.12785	1.3
179.03461	0.6
181.12213	3.9
182.07214	0.6
187.11189	8.8
189.12779	0.9
191.10645	4.3
197.09605	4.4
197.60976	0.5
199.11378	0.6
201.09137	0.7
203.03143	0.7
205.12263	5.8
209.11624	1.3
215.10666	11.9
219.06535	0.6
219.10223	0.7
223.13364	0.9
227.12787	3.6
233.11711	22.2
234.12044	0.9
245.11719	1.1
251.12790	18.8
251.16534	0.8
252.12953	0.7
263.12686	0.7
269.13870	2.9
287.05490	100.0
291.08401	0.7
378.11337	1.0
448.15543	5.2
448.25845	0.8
449.10538	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
55.05505	0.6
57.03434	2.4
61.02939	0.6
63.76613	0.5
64.76002	0.5
67.05495	1.0
67.66475	0.5
69.03431	5.0
69.07066	2.3
69.14050	3.5
71.04994	0.8
73.02919	3.2
76.99715	0.5
79.05484	4.3
81.03412	1.0
81.07069	4.8
83.04985	4.4
84.98775	0.6
85.02914	5.5
87.04473	0.8
89.03898	0.7
91.05454	3.5
91.68706	0.6
93.07047	6.5
95.04950	3.1
95.08614	2.9
97.02901	5.4
97.06532	3.7
99.04459	1.2
100.02071	0.5
103.03845	0.5
103.05452	0.8
105.07021	8.6
106.06621	0.6
107.04960	3.4
107.08599	4.0
109.02879	1.3
109.06512	4.2
114.86510	0.5
115.03908	4.0
117.07030	2.5
119.04970	2.7
119.08578	23.8
121.06503	6.0
121.10143	2.5
124.72817	0.5
125.05984	5.2
127.07521	0.7
129.07008	1.2
131.08572	2.4
133.04967	2.7
133.06479	0.9
133.10130	2.4
135.04420	2.0
135.08076	1.7
135.11700	3.2
137.05989	3.9
139.07510	1.2
143.07062	4.1
143.08568	1.1
144.09320	0.6
145.05035	0.6
145.06444	1.4
145.10117	10.8
147.08022	0.8
147.11708	2.0
149.05991	1.5
149.09575	1.9
151.07556	1.1
152.06834	2.2
153.01816	5.5
155.08524	0.8
157.08607	2.1
157.10123	0.8
158.07298	0.7
159.08086	1.2
159.11691	6.4
161.09666	1.2
161.13278	0.9
163.03845	1.1
163.11176	13.4
165.05515	2.7
169.10147	1.8
173.09616	9.7
177.05473	0.8
177.12785	1.3
179.03461	0.6
181.12213	3.9
182.07214	0.6
187.11189	8.8
189.12779	0.9
191.10645	4.3
197.09605	4.4
197.60976	0.5
199.11378	0.6
201.09137	0.7
203.03143	0.7
205.12263	5.8
209.11624	1.3
215.10666	11.9
219.06535	0.6
219.10223	0.7
223.13364	0.9
227.12787	3.6
233.11711	22.2
234.12044	0.9
245.11719	1.1
251.12790	18.8
251.16534	0.8
252.12953	0.7
263.12686	0.7
269.13870	2.9
287.05490	100.0
291.08401	0.7
378.11337	1.0
448.15543	5.2
448.25845	0.8
449.10538	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
57.07073	5.9
58.06590	1.5
66.68451	0.8
69.07027	1.0
70.06591	15.5
70.87953	0.8
71.08624	2.4
88.07624	19.0
91.05460	1.2
98.43866	0.8
102.09174	15.2
104.02614	6.5
109.40496	0.8
117.06113	0.9
118.82671	0.9
119.04961	1.7
132.02069	7.9
136.01572	2.2
147.04398	20.3
147.05489	1.0
148.05179	6.7
149.02382	1.4
153.01807	2.0
175.03905	41.4
176.04549	1.9
180.04208	2.4
191.07007	1.7
193.04933	1.3
214.54877	1.0
219.06514	71.9
220.06914	1.1
227.39436	0.8
256.26340	45.0
257.26675	1.1
287.05490	59.2
448.30576	100.0
449.30963	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
56.22835	0.1
61.02932	0.1
67.01868	0.6
67.05515	0.3
68.99819	0.4
69.03422	0.4
69.24097	0.7
71.05006	0.2
73.02914	0.2
79.05509	0.2
81.07059	0.3
85.02897	0.7
91.05486	0.1
93.07063	0.2
95.04987	0.1
95.08611	0.2
97.02882	0.4
106.49652	0.1
107.08639	0.1
108.23787	0.1
109.02853	0.2
115.03941	0.2
119.08568	1.0
120.08087	0.2
120.08894	0.4
121.02846	0.2
123.11715	0.2
127.03911	0.1
133.04990	0.2
135.04422	1.6
137.02328	0.4
137.13257	0.3
141.26344	0.1
145.04944	0.2
147.40393	0.1
153.01819	4.9
155.10551	0.1
161.02312	0.5
161.21561	0.1
163.03912	0.1
165.01782	0.2
171.02827	0.2
179.03421	0.3
213.05568	0.2
241.04898	0.6
245.04446	0.2
269.04547	0.3
269.17365	0.2
287.05481	100.0
288.05798	4.4
413.37079	0.1
449.10416	0.5
449.15228	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	KAEMPFEROL-7-O-GLUCOSIDE
Peak:m/z	Relative Intensity
52.56903	0.1
67.01862	0.6
68.99792	0.4
69.32851	0.4
69.33263	0.6
89.03904	0.2
90.45629	0.2
117.03339	0.3
121.64384	0.2
135.04399	1.5
137.02364	0.4
153.01817	5.2
154.02132	0.2
161.02361	0.6
171.02882	0.4
179.03337	0.5
203.03355	0.2
213.05530	0.2
241.04936	0.5
245.04340	0.3
269.04495	0.3
287.05481	100.0
288.05826	5.0
449.10791	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.163
Annotation	Trp Glu Asp
Peak:m/z	Relative Intensity
51.33908	0.3
56.96550	0.6
64.77755	0.3
70.74870	0.5
84.08149	0.4
85.02904	0.5
86.09691	0.4
92.11788	0.3
92.98804	0.3
98.97578	0.6
116.98642	0.6
121.08633	0.3
135.04425	0.6
141.68356	0.3
145.02832	0.3
163.03928	2.2
164.04224	0.6
205.96483	0.3
227.05930	0.5
245.07010	0.3
252.80838	0.3
270.70505	0.3
287.05511	7.1
287.10867	4.0
287.13828	0.5
347.09613	0.7
389.11227	1.0
407.12039	0.5
426.02390	0.6
449.16284	100.0
450.16693	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04066	0.5
55.05254	0.7
55.05509	9.3
57.03435	7.5
57.07076	4.2
63.70009	0.4
67.05503	19.3
69.06715	0.7
69.07068	10.4
70.67334	0.6
71.04974	0.8
71.08623	1.6
79.05486	6.3
81.07056	19.7
83.04960	0.9
83.08623	6.0
85.06544	1.3
85.10188	1.0
89.52236	0.4
91.05481	2.9
93.07032	5.2
95.04974	1.0
95.08604	16.1
97.06530	1.5
97.10179	3.2
98.98468	3.3
99.08103	0.7
105.07038	3.0
107.08590	3.4
109.10169	6.7
111.11700	0.6
112.71287	0.5
113.00015	31.6
119.08569	2.0
121.10151	3.0
123.11720	3.2
125.09637	0.5
133.10133	2.2
135.04428	1.5
135.11688	1.3
136.99991	2.1
137.13286	1.1
147.11714	1.2
149.13266	1.1
151.11275	0.5
151.14896	0.6
153.01822	4.6
155.01038	3.5
161.13306	1.4
163.14726	0.7
169.02614	16.0
169.48044	0.4
171.02937	0.5
175.14832	1.0
183.71973	0.5
187.03633	2.8
193.02498	0.5
211.03728	0.6
241.05023	0.7
245.22705	2.4
263.23734	3.7
269.04745	0.5
287.05493	100.0
288.05817	6.7
313.27463	2.4
337.27350	54.2
338.27795	2.7
449.10818	0.5
449.26590	4.6
449.32312	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	450.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53724	0.4
51.99978	0.3
55.05496	0.4
56.96566	0.4
57.03440	1.8
65.03937	5.7
69.03432	6.5
69.72079	0.7
69.72481	0.8
72.86997	0.3
75.88674	0.3
77.69095	0.3
81.03421	0.7
83.08621	0.7
84.08188	0.4
85.02907	6.1
85.71795	0.3
87.04468	4.5
91.05437	0.4
93.03403	12.1
93.07047	2.8
95.08598	0.5
97.02886	5.5
98.22781	0.5
111.04440	34.2
111.08076	2.8
112.04810	0.5
114.47639	0.4
115.03934	5.5
117.06979	0.4
119.04918	0.4
121.06498	0.8
126.09183	0.4
127.03909	0.6
129.28453	0.4
132.47214	0.3
133.04967	5.6
137.05933	0.6
139.03897	100.0
140.04236	1.2
145.04919	0.8
147.04381	1.1
150.07661	0.4
157.08612	8.8
163.03885	0.6
169.04977	0.4
179.07045	0.5
183.41586	0.4
202.29811	0.3
235.09727	0.4
253.10515	0.5
271.08084	0.9
271.11362	0.5
279.09232	0.5
287.05524	0.5
288.05762	0.7
450.14395	6.0
451.18417	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	450.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01870	2.0
57.03432	5.5
60.82108	0.4
61.02923	6.0
65.03938	1.6
69.03058	1.0
69.03426	13.3
69.34731	1.6
69.35136	1.1
71.04993	1.5
73.02914	6.8
81.03421	4.8
85.02901	63.8
86.03261	0.5
87.04466	1.4
89.06023	0.7
91.03973	3.6
91.05478	100.0
92.05819	1.8
97.02890	35.9
98.22648	0.6
99.04428	3.2
99.04965	0.4
101.02360	0.5
103.03945	1.0
105.07008	0.5
109.02877	5.3
115.03928	7.7
117.07022	1.3
121.06506	5.1
127.03912	16.2
129.06992	1.4
133.04987	0.7
133.06509	1.7
143.03482	0.6
143.08565	1.2
145.04955	30.2
145.06465	1.2
146.05234	0.6
153.06909	0.5
155.12985	0.5
157.06508	1.3
161.04504	3.0
163.03984	0.6
163.06009	15.5
169.06554	0.5
171.08102	1.7
175.07576	0.7
187.07494	2.2
189.09087	0.6
199.07555	0.8
205.08638	1.5
208.51709	0.4
217.08559	4.1
223.05943	0.7
229.08635	0.8
235.09579	3.7
241.07083	0.5
247.09679	0.9
253.10684	2.8
253.94345	0.4
265.10712	0.9
271.08331	0.5
271.11859	0.6
295.62540	0.4
325.11432	1.1
445.56461	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
53.77781	0.4
55.01872	1.4
57.03444	3.0
58.68930	0.5
59.05007	0.5
59.74694	0.4
61.02929	5.9
65.03944	1.8
67.04896	0.4
69.03430	11.4
69.64843	1.9
71.04989	0.9
71.15363	0.4
73.02907	2.6
76.26633	0.4
81.03413	4.7
85.02905	63.8
85.81758	0.5
86.03252	0.5
87.04472	1.1
91.03957	4.1
91.05481	100.0
91.86795	0.4
92.05811	2.0
97.02893	33.7
99.04459	2.1
101.02401	0.6
103.03931	0.5
105.07004	0.8
109.02868	4.8
115.03932	3.7
115.89229	0.5
117.07000	1.7
120.49760	0.6
127.03908	14.9
129.06995	1.1
133.06487	1.1
143.08563	1.4
145.04958	26.5
153.07036	0.9
157.06509	0.9
161.04457	3.9
163.06021	15.1
169.06570	0.7
171.08005	1.5
175.07507	1.0
189.09123	0.7
199.07448	0.5
217.08636	3.6
235.09674	2.5
253.10724	3.2
289.09079	0.8
325.11218	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32991	0.5
55.01860	1.2
57.03444	8.7
59.05001	1.0
60.05644	0.7
61.02922	2.1
69.03062	1.0
69.03432	16.6
69.29784	3.2
71.01337	0.7
73.02920	13.5
77.03893	0.9
79.05487	0.9
81.03407	1.8
81.07063	0.7
83.04952	0.7
85.02907	19.6
86.09267	0.6
86.09692	3.5
87.04469	8.2
89.06021	0.9
91.05491	5.1
93.05515	0.6
93.07043	3.8
95.04964	1.6
97.02256	0.9
97.02892	18.5
99.04461	1.0
102.75636	0.5
103.05473	3.7
103.98103	0.6
107.04971	1.5
109.02862	2.0
115.03928	19.6
115.36520	0.5
117.07023	2.3
121.06509	100.0
122.06850	2.0
124.99934	1.4
127.03901	4.5
131.04980	0.8
131.08516	0.7
133.04973	15.0
133.06468	4.1
135.04530	0.7
137.06010	1.5
139.07549	21.7
143.08521	0.6
145.04982	4.9
145.06500	4.0
147.04417	0.8
150.07617	1.6
151.03918	0.9
151.07559	2.0
157.06514	0.9
159.08080	1.3
163.03947	0.6
163.06035	2.5
163.07564	6.0
165.05487	1.6
177.05511	1.3
184.07333	10.0
187.07536	9.7
199.07700	0.5
205.08626	11.6
209.08086	1.0
217.08586	5.6
223.05998	1.1
223.09709	0.7
229.08710	1.2
235.09659	3.1
241.07132	1.5
247.09648	1.2
253.10841	1.3
259.08182	1.5
265.10837	0.9
268.08115	0.9
271.12103	0.7
287.05472	0.9
288.05771	3.1
295.10269	2.1
301.12793	1.0
366.11884	0.7
366.52444	0.6
390.14948	1.0
399.21457	0.7
450.20782	1.1
472.84192	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.9
57.03439	21.9
58.20362	1.3
59.04990	4.2
59.66658	1.2
60.04527	2.9
61.02921	5.1
61.61002	1.1
69.03429	82.5
69.69600	4.3
69.69965	2.1
71.01348	1.9
71.05004	2.4
71.43726	1.1
73.02914	16.6
79.05501	1.8
79.26379	1.4
79.57668	1.1
81.03423	6.2
85.02904	83.9
85.80149	1.1
86.85365	1.3
87.04464	49.2
89.06004	3.0
91.03948	3.0
91.05476	4.7
93.07057	2.8
97.02892	67.4
99.04468	3.5
103.03918	2.9
103.05402	1.5
105.07022	1.8
107.04942	2.6
107.08602	1.6
109.02864	5.1
109.23564	1.1
111.20108	1.4
115.03931	88.1
116.04232	1.6
117.07007	6.4
121.06501	50.9
127.03915	16.3
128.06242	1.6
131.04784	1.4
131.08556	2.5
133.04964	100.0
135.06540	1.2
135.08032	1.9
139.03873	2.3
141.06966	1.6
145.04959	21.5
145.06476	30.9
149.67505	1.3
150.07610	16.9
157.06413	2.1
159.08029	4.4
163.03894	1.9
163.06007	6.6
163.07530	18.8
164.07899	2.0
169.06346	1.6
171.07986	1.5
175.07538	15.5
179.06995	3.6
181.08539	3.1
187.07521	17.7
189.09061	1.8
196.68251	1.3
201.09087	1.6
205.08623	16.0
217.08614	19.2
223.06021	2.5
223.09576	1.5
229.08588	6.6
235.09695	11.5
241.07047	2.4
247.09616	7.5
259.08179	6.0
265.10648	7.8
270.13150	1.6
277.09137	4.5
295.10162	5.2
301.13013	1.5
318.15445	1.6
459.61224	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
56.05024	0.3
58.06606	0.4
60.08161	6.3
67.05501	0.3
69.07041	0.2
70.51538	0.2
70.73190	0.2
70.73531	0.2
71.07371	2.5
74.88422	0.2
79.05489	0.5
81.03419	0.3
81.07054	0.8
81.86668	0.2
83.04971	0.4
85.02898	0.2
86.09701	33.2
87.10062	0.2
91.05479	0.8
93.07042	0.6
95.08599	0.5
97.06535	0.4
98.98460	2.4
104.10737	3.7
104.11382	0.3
105.07034	0.4
107.04950	0.2
107.08600	0.4
109.06530	0.2
119.08591	0.4
121.10181	0.2
124.99995	22.3
133.10086	0.4
135.11664	0.2
137.09744	0.2
143.01041	0.3
147.11668	0.3
149.09618	0.2
153.01778	0.4
154.02205	0.2
163.03877	0.3
165.12793	0.2
175.11082	0.2
184.07327	100.0
185.07701	1.0
203.18004	0.2
212.60342	0.2
235.13283	0.3
235.16872	0.2
253.14381	0.3
287.05460	3.3
288.05804	7.9
289.05978	0.5
432.21600	1.1
450.22446	4.9
451.22699	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
55.05503	2.4
60.08159	6.8
67.05510	3.7
69.03425	0.9
69.07063	2.5
71.04984	2.2
71.07367	2.6
79.05491	7.3
81.03376	0.6
81.07057	13.6
83.04963	3.8
83.08611	1.5
85.02918	2.7
85.06530	1.4
86.09705	30.9
87.97017	0.5
91.05484	4.7
93.07039	14.5
95.04964	3.2
95.08604	9.2
97.02904	1.1
97.06531	7.2
98.98441	2.8
99.04462	4.3
101.06013	0.6
104.10737	3.8
105.07023	9.0
107.04954	0.9
107.08582	7.8
109.06516	7.5
109.10151	1.9
111.08081	1.8
113.06028	0.8
119.08575	6.5
121.06501	18.1
121.10148	1.6
123.04478	1.0
123.08079	1.4
123.11663	1.1
125.00005	21.0
125.05994	2.3
127.07576	3.1
129.06993	1.7
129.29887	0.5
131.08528	2.0
133.06442	1.2
133.10130	3.9
135.04390	2.1
135.08040	3.8
135.11681	1.0
137.05937	2.0
139.07547	5.6
142.07753	1.0
143.07008	0.9
143.08551	2.0
145.10130	3.1
147.08037	1.9
147.11676	13.3
149.13225	1.3
151.07542	0.8
153.01784	1.4
153.09088	1.2
154.02148	1.0
156.09306	1.1
157.08583	2.2
157.10118	5.5
161.13222	3.2
165.12737	5.7
166.07729	0.7
171.11696	5.8
173.02245	0.8
173.09645	1.3
175.11176	5.7
181.10089	0.7
184.07338	100.0
185.07703	1.1
189.12741	6.5
191.14343	0.8
193.12221	5.9
199.11174	7.9
207.13792	5.1
209.15291	3.9
211.13239	2.5
217.12230	22.8
229.14331	2.1
235.13277	42.4
236.13528	0.7
253.14336	31.9
253.18141	1.4
254.14619	0.8
259.09622	2.7
271.15338	1.0
287.05511	9.8
288.05835	26.4
289.06149	1.6
425.07474	0.6
432.21533	0.7
450.22348	5.5
450.29330	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	450.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11571	2.0
55.01873	2.6
55.05519	3.5
60.08171	4.0
67.05499	7.2
69.03425	4.0
69.07068	6.7
71.04988	5.0
71.07359	2.0
79.05494	14.4
81.07052	32.6
83.04996	6.2
85.02907	5.6
85.06532	4.4
86.09708	24.6
88.92867	1.9
90.72080	2.0
91.05461	12.3
93.07043	38.9
95.04976	9.0
95.08595	25.4
97.06535	16.0
99.04462	9.0
104.10709	3.0
105.07037	20.6
107.04953	3.7
107.08592	20.3
109.06510	22.4
109.10192	5.3
111.08106	4.1
119.08578	16.7
121.06501	52.6
121.10155	6.0
121.63107	2.0
123.08105	3.2
125.00009	16.4
125.05975	7.2
127.07545	9.2
131.08560	3.0
133.10143	7.4
135.04466	4.0
135.08073	9.3
135.11742	3.1
137.06029	6.1
139.07544	14.5
143.07018	3.7
143.08611	4.0
145.10143	3.2
147.08122	3.6
147.11688	40.3
149.13239	4.3
153.01881	3.0
156.09288	2.7
157.08580	6.0
157.10121	15.9
161.13286	9.2
165.12721	14.1
171.11649	15.3
173.09711	4.9
175.11150	14.2
181.10126	3.0
184.07333	74.1
189.12744	16.8
191.14273	2.1
193.12239	11.3
199.11185	19.1
207.13721	12.4
209.15390	8.8
211.13313	9.4
217.12221	61.1
229.14406	6.3
235.13268	100.0
236.13684	5.7
253.14336	78.5
254.14601	4.1
259.09619	3.4
271.15598	3.7
287.05508	15.9
288.05862	38.5
289.06006	3.1
315.15988	2.3
450.22855	4.5
450.29132	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	450.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	11.5
55.54228	2.5
57.07081	14.1
67.05499	11.1
68.99797	3.2
69.07077	20.3
69.26775	11.1
70.06599	7.3
70.65645	2.8
71.08627	8.6
72.03886	3.3
79.05473	6.6
81.07060	22.8
83.08614	16.0
85.10179	4.3
87.00828	14.4
88.07614	9.3
93.07027	10.2
95.04950	3.7
95.08633	19.1
95.43448	2.5
97.06551	5.9
97.10194	17.7
98.23521	4.6
102.09164	4.9
107.08571	7.6
109.10161	9.3
111.08064	4.4
111.11724	2.8
111.62358	3.1
119.08587	3.5
121.10146	10.6
121.88731	3.0
123.11720	4.3
125.09644	3.3
135.11679	7.3
139.11157	4.1
139.89874	2.9
149.02350	37.8
149.03456	4.9
149.13239	6.0
153.01880	5.5
163.14713	3.1
193.05000	36.3
219.21133	10.0
237.22134	27.9
255.23204	24.5
284.29456	15.4
287.05478	45.5
288.05841	100.0
289.05908	4.2
323.22220	21.9
341.23264	21.4
397.25876	4.0
415.26855	37.3
416.26746	4.0
436.53873	3.2
450.21317	3.6
450.32202	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1576
Annotation	AN-7
Peak:m/z	Relative Intensity
53.70023	0.5
55.01868	2.7
55.05502	1.4
60.58044	0.5
67.05515	0.6
69.07063	1.0
69.63667	0.5
69.64311	1.9
71.14075	0.6
72.04514	1.4
79.05477	1.0
81.07040	0.6
83.04977	0.6
83.08607	1.1
84.04491	3.1
85.02893	0.5
93.07051	0.8
95.08606	0.7
97.06535	1.9
100.11248	3.1
105.07027	0.8
106.06514	0.7
107.04982	0.5
107.08540	0.8
109.02853	0.5
119.08573	0.6
120.08108	0.7
121.10129	0.6
122.03699	0.6
124.07602	0.7
133.10190	0.7
134.06007	1.0
137.05988	6.3
148.07593	0.6
153.01831	0.7
154.12302	4.7
163.03928	1.7
164.07054	2.5
165.05626	0.5
165.07008	0.5
210.14885	0.6
215.06953	2.2
243.14845	2.4
259.09805	2.5
271.14389	5.9
277.30862	0.5
281.18600	2.5
285.11304	1.0
287.05548	3.6
288.05753	2.4
289.06030	7.2
289.15451	4.1
317.08594	0.6
433.31445	0.7
451.15750	100.0
451.32462	4.1
452.16110	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	451.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77039	0.6
55.01867	1.7
55.05505	2.5
57.03421	0.7
65.03927	0.9
67.01864	1.1
67.05500	5.5
69.03416	2.5
69.07066	5.1
70.35899	1.1
70.36223	0.9
71.04999	3.9
71.52862	0.6
77.03936	0.6
79.05490	7.1
81.03420	0.9
81.07054	15.5
83.04996	6.0
83.08613	2.1
85.02903	1.4
85.06538	2.8
91.05482	5.4
93.07040	19.1
95.04973	7.2
95.08601	14.9
97.06530	11.1
99.04446	8.5
99.08078	1.1
105.07035	10.8
107.04950	1.9
107.08595	9.6
109.06521	11.1
109.10143	2.5
111.04443	1.0
111.08080	6.1
113.05990	1.7
117.03428	0.8
117.06961	0.9
119.04913	1.0
119.08568	5.7
121.06501	28.2
121.10146	2.0
123.04379	1.8
123.08041	2.4
123.11719	3.6
125.06012	5.8
127.07556	3.9
128.06261	0.6
129.07007	1.6
131.08534	1.3
133.06471	1.5
133.10115	7.1
135.04436	3.8
135.08015	3.2
137.06015	2.1
139.07544	5.7
141.05444	1.2
141.06996	0.8
142.07742	1.2
143.07045	4.6
143.08511	1.8
145.10094	2.5
147.08058	1.3
147.11681	14.6
149.13269	1.0
151.11137	1.7
153.01796	6.7
154.02162	1.9
155.02235	1.7
155.08499	0.9
157.08736	4.8
157.09990	4.6
159.06508	5.4
161.02274	1.0
161.05971	2.4
161.13243	4.4
163.03920	2.3
165.12808	6.7
166.07809	0.7
169.12192	6.6
171.02948	0.8
171.08023	1.0
171.11642	4.8
173.09486	0.8
173.13271	0.7
175.11185	11.5
181.10037	1.2
184.08821	0.9
189.09099	2.7
189.12766	8.9
193.12247	11.9
199.11189	9.9
207.13771	5.8
211.13297	12.5
212.13567	0.7
213.09155	1.5
215.07016	2.5
217.12221	33.1
217.56995	0.7
218.12587	1.1
218.15961	0.8
225.14793	0.8
229.14359	6.1
231.10280	0.8
235.13278	46.4
236.13496	1.1
236.17302	0.7
253.14337	41.8
254.14671	1.2
259.09619	4.2
271.15390	5.9
287.05496	51.0
288.05820	44.6
288.08371	0.7
289.06039	100.0
289.16357	3.8
290.06299	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	451.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.2
56.96284	1.2
56.96568	21.8
57.03440	1.1
57.07071	1.5
59.46727	0.7
71.95271	1.3
72.36301	0.7
72.96034	0.7
74.97607	0.7
78.86727	0.7
81.07060	2.0
83.08614	0.8
84.83926	0.7
84.96061	0.7
89.06065	0.7
91.05477	1.2
93.07081	0.8
95.04935	0.9
95.08625	1.8
97.96798	3.6
97.99198	0.7
98.97591	2.1
98.98504	0.8
105.07023	1.0
109.10181	0.7
110.92645	0.7
110.97543	3.6
115.97881	1.5
116.98617	1.0
121.26463	0.7
123.01166	1.2
128.98605	4.3
131.00159	0.8
137.00027	1.0
137.02768	0.7
138.00314	0.8
143.00255	0.7
145.10135	1.0
146.99663	2.7
155.01033	0.8
159.11707	0.8
161.01163	1.1
170.01225	0.9
171.03281	0.8
189.04382	1.0
190.05157	1.0
195.07016	1.0
213.08165	0.7
227.09482	1.0
244.48151	0.7
245.10471	1.0
254.48145	0.8
274.26419	0.8
279.12558	0.9
285.47046	0.7
287.05603	1.3
288.05887	1.9
289.06186	2.7
317.17877	100.0
318.18161	5.0
319.19226	1.2
335.18939	35.6
336.19189	1.9
353.19739	1.0
358.20474	17.2
359.20862	1.2
391.21558	10.7
392.22229	1.1
398.34567	0.8
436.74496	0.8
442.02734	0.7
451.31122	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.4
56.96288	0.5
56.96564	8.8
57.03435	4.0
59.04990	0.6
60.04504	0.4
60.33037	0.3
67.05497	0.8
69.03430	10.4
69.26478	2.1
77.03928	0.8
85.02901	7.1
87.04469	9.0
95.04971	0.7
96.83699	0.3
97.02894	10.3
98.97585	2.6
105.03386	0.6
109.02872	1.4
110.97527	0.4
112.99126	0.5
115.03932	14.0
116.98618	1.1
117.03411	0.4
123.04427	100.0
124.04758	2.2
124.99109	1.2
126.59681	0.3
127.03924	1.0
128.98669	0.4
131.00198	1.1
133.04968	16.0
134.99678	0.6
135.04396	0.6
137.05946	2.2
141.02255	1.5
141.05447	0.7
143.00148	3.3
145.02826	0.5
145.04976	1.2
149.01271	0.4
150.07619	2.0
157.01767	0.5
159.03293	1.5
161.01236	2.2
163.03909	3.0
163.07605	0.5
165.05486	1.3
167.00206	0.9
169.01691	1.7
175.00679	1.3
185.01114	1.7
187.02788	1.6
189.00798	0.5
191.00143	0.6
193.01767	2.5
194.99638	0.9
203.02290	2.0
205.00168	0.6
206.99788	0.6
207.01817	0.4
209.01231	1.4
211.02795	1.9
213.00661	2.0
218.99654	1.3
221.03305	1.3
229.03813	0.6
231.01712	2.9
237.00728	3.8
237.07622	0.5
241.07057	0.5
249.02815	2.3
255.01784	11.5
255.08717	0.5
255.12227	0.4
259.08154	1.1
267.03842	0.4
273.02823	10.7
291.03943	0.5
295.10199	0.9
305.03000	0.5
323.04285	0.6
333.03229	0.4
365.05511	0.6
367.03159	0.8
375.03687	1.1
382.05313	0.5
393.05072	3.7
411.05927	6.1
428.06134	0.5
429.07071	4.2
452.18472	2.4
453.07025	2.7
453.13126	0.8
454.89124	0.4
471.08151	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.24
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
55.01863	0.7
55.05510	0.4
56.05031	0.6
57.03442	1.7
58.06602	0.3
59.18132	0.2
60.07875	0.4
60.08163	6.7
61.02914	1.1
67.05505	1.6
68.46944	0.2
69.03423	3.0
69.07050	0.6
71.04976	1.3
71.07381	2.9
73.02541	0.4
73.02917	5.7
74.30001	0.3
79.05488	0.7
81.03411	0.5
81.07054	1.9
83.04957	0.4
83.08586	0.3
85.02407	0.4
85.02904	7.3
86.09703	28.9
87.10033	0.3
91.05470	0.6
93.07053	1.3
93.65040	0.3
95.08578	0.7
97.02889	5.2
97.06522	1.4
98.06857	0.3
98.23582	0.6
98.98466	2.3
99.04425	0.4
103.03941	0.3
104.10738	3.4
105.07054	0.3
107.08569	0.6
109.02859	0.5
111.04431	0.3
115.03941	2.2
118.89513	0.3
121.10181	0.5
123.11697	0.9
125.00000	20.9
127.03918	2.5
131.08528	0.4
133.04962	2.7
135.11659	0.3
137.05969	0.6
138.06287	0.3
141.12753	0.4
145.04951	4.0
150.07657	0.6
163.03931	0.3
163.05968	1.6
164.04221	0.3
165.12672	0.3
184.07333	100.0
185.06033	0.3
185.07654	1.2
210.14864	0.3
216.07384	0.6
223.06041	0.7
241.07100	0.6
259.08063	1.0
260.09967	1.6
434.23099	0.9
452.24005	5.0
453.33841	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
56.05020	1.2
57.03433	2.7
58.06582	0.9
60.08161	16.7
61.02897	0.8
66.92715	0.4
67.05508	3.1
69.03422	4.5
69.07066	1.3
69.19923	2.3
69.51595	0.4
71.04984	1.1
71.07369	5.5
73.02912	0.5
79.05479	1.5
81.07056	4.0
83.08623	0.7
85.02896	4.5
86.09703	47.5
87.04467	1.8
87.10011	0.7
91.05451	0.8
93.07024	2.7
95.08578	1.0
97.02895	3.3
97.06532	1.2
98.22758	0.8
98.98469	2.7
103.53139	0.4
104.10738	100.0
105.11113	0.9
107.08575	1.4
115.03936	4.8
117.07030	0.5
119.84198	0.4
121.10126	0.8
123.11696	0.7
124.99996	26.5
127.03909	0.5
128.68088	0.4
133.04945	4.8
145.04936	0.9
149.13304	0.4
150.07587	0.7
150.64873	0.4
159.11731	0.5
163.01520	0.6
163.03937	0.5
164.70908	0.4
164.94969	0.4
172.97371	0.4
184.07332	81.4
185.07574	0.9
215.48059	0.4
232.67426	0.4
258.11035	0.5
259.09888	0.6
260.09988	1.5
269.17511	0.6
276.72638	0.4
351.51801	0.4
434.23001	6.7
452.24063	36.1
453.24368	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92104	0.1
56.05037	0.6
57.03426	0.2
57.67881	0.1
58.06321	0.2
58.06630	0.5
58.72292	0.1
59.07407	0.1
60.08162	6.5
67.05496	0.4
69.07059	0.3
69.19103	0.3
69.19508	0.2
71.07371	2.6
73.75432	0.1
78.38943	0.1
79.05493	0.3
81.07053	0.7
83.08602	0.1
83.74986	0.1
86.09704	31.8
87.10021	0.3
91.05474	0.2
93.07047	0.5
95.08601	0.2
97.06532	0.3
98.98460	2.9
98.99097	0.2
104.10740	3.2
107.08586	0.3
124.99998	22.5
137.05952	0.2
143.01021	0.1
159.11763	0.1
163.01550	0.1
184.07335	100.0
185.07703	1.3
258.10931	0.2
269.17404	0.2
434.22949	1.1
452.24081	5.0
453.24402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01866	6.0
55.05503	5.0
57.03434	41.2
57.07069	1.8
59.04984	3.9
60.04520	1.9
60.08166	8.6
61.02923	10.0
61.98967	1.3
67.05499	17.8
69.03427	69.5
69.07058	5.4
69.10689	5.2
69.11102	3.1
71.01351	3.3
71.04988	19.2
71.07359	3.2
72.08113	1.3
73.02913	49.6
73.19470	1.3
79.05502	7.9
81.03423	8.8
81.07051	40.0
83.04983	3.4
83.08609	2.8
84.08128	3.9
85.02901	100.0
86.09705	42.1
87.04462	31.2
87.05581	1.4
88.03971	1.4
91.03947	3.1
91.05462	4.5
93.07040	7.7
95.04957	4.3
95.08604	6.5
97.02891	77.1
97.06527	14.4
97.10184	2.1
98.03273	1.4
98.06857	4.6
98.98470	3.0
99.04459	3.4
99.08064	1.9
103.03938	1.5
104.10741	31.1
105.07020	3.9
107.08620	6.9
109.02869	7.2
109.06501	2.7
109.10143	2.8
111.04458	2.8
111.08064	1.5
115.03928	77.5
119.08586	3.0
120.08083	1.8
121.06499	2.3
121.10141	4.5
123.11706	24.5
125.00010	19.0
125.09637	1.5
127.03906	23.5
131.08545	2.4
133.04964	58.6
133.10115	3.7
135.04372	2.1
135.08089	1.8
135.11703	3.0
137.05954	5.8
139.11160	2.2
141.12740	6.9
144.06439	1.4
145.04959	34.2
147.04388	1.7
147.11711	3.1
149.05983	1.4
149.13264	1.6
150.07613	11.2
151.11147	3.9
153.12733	2.1
159.11684	2.5
163.03893	6.2
163.06015	10.2
163.11296	1.4
164.04276	2.9
164.07042	8.4
165.12784	2.7
167.07086	1.6
173.02339	2.7
174.02689	2.4
177.12732	1.7
178.08633	1.3
180.08641	2.1
181.12233	2.2
184.07327	87.3
187.09540	1.4
215.07039	3.9
216.07304	4.3
219.13753	2.3
223.05963	3.7
237.14812	2.0
237.18411	4.0
241.07153	7.3
255.19588	6.5
259.07642	2.2
259.09708	5.4
260.09995	11.6
267.15952	2.9
275.57199	1.3
277.09085	1.8
289.05908	1.9
295.10321	3.4
303.17902	3.2
338.26657	1.8
392.17975	9.4
434.24643	1.7
452.24396	14.0
453.20230	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20006	0.8
55.05509	11.7
57.03441	8.5
57.07075	6.6
62.12500	0.8
67.05503	11.0
69.06709	1.4
69.07066	18.0
71.08627	2.5
71.45412	1.1
74.15556	0.7
79.05502	6.4
81.07057	17.1
81.07504	1.4
83.05002	1.3
83.08617	18.0
85.10195	1.7
91.05524	1.1
93.07041	8.7
95.04961	1.3
95.08607	9.1
97.06533	3.5
97.10168	7.2
99.08083	1.7
105.07031	1.3
107.08595	5.7
109.06519	1.5
109.10168	4.6
111.08060	2.5
111.11713	1.4
117.07072	0.8
119.08567	1.3
121.10153	8.5
123.11731	2.2
125.09613	2.0
127.11162	0.8
130.17152	0.8
135.11696	5.1
137.13243	1.1
149.13255	1.7
163.03912	1.2
171.11765	0.9
207.06575	1.0
208.21005	0.9
215.14278	1.5
219.21091	1.0
237.22066	1.0
280.26385	5.5
294.17044	0.9
311.25790	100.0
312.26151	3.9
333.16931	1.0
435.21350	0.8
452.30124	1.1
453.29803	1.4
476.82858	0.9
479.25900	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.9
55.05509	7.5
56.05030	1.4
61.98109	1.3
67.01842	2.3
67.05496	4.9
69.03420	2.7
69.07061	4.9
70.06587	1.5
71.04973	3.5
75.14931	1.2
79.05508	3.3
80.87963	1.3
81.03400	3.1
81.07054	9.5
82.06575	2.3
83.04980	3.5
83.08620	9.1
84.04485	1.8
84.08125	5.9
85.02895	4.0
85.06546	2.7
86.09691	1.5
91.05471	3.6
93.07039	6.8
94.07378	1.5
95.04972	4.1
95.08600	7.5
97.02882	1.7
97.06514	2.6
98.09682	1.2
99.08073	1.4
100.07620	2.9
100.11250	36.1
105.07015	8.9
107.04913	1.9
107.08592	7.4
109.06529	3.4
109.10140	4.4
110.06027	2.5
110.07166	1.3
111.04448	5.1
111.08102	2.0
112.07626	1.1
112.95065	1.1
113.03014	1.2
115.04019	1.3
117.07033	1.3
118.06566	1.5
119.08551	3.8
121.06475	4.0
121.10136	4.3
123.04471	1.6
123.08038	1.7
123.11710	8.0
124.07632	1.5
125.09616	2.7
127.03918	1.7
128.07033	3.1
131.08549	2.4
133.10118	6.7
135.04451	4.1
135.08064	1.3
136.04770	1.8
137.05965	2.5
137.09618	1.8
139.07629	1.2
139.08661	3.2
141.12680	1.7
143.10651	6.9
145.02779	2.6
145.10060	3.1
147.11681	7.6
149.13271	3.8
151.03886	1.2
153.01813	18.6
154.02162	8.4
155.02271	3.4
161.05908	1.6
161.13223	1.8
161.45590	1.3
163.03937	10.9
164.04227	6.7
164.07065	3.1
167.07042	9.3
167.14328	18.5
171.02820	1.5
175.11153	2.0
178.08699	2.6
181.04874	1.6
182.15384	10.0
193.12267	2.4
201.16342	3.1
209.16521	8.6
210.11346	1.3
210.14879	10.3
211.13293	5.2
218.12598	2.6
219.17445	7.0
226.19104	4.1
235.13150	2.0
236.13519	2.7
237.14870	2.9
237.18396	1.7
253.14420	2.3
254.14679	3.2
255.15843	5.8
260.09973	2.0
287.05481	30.7
288.05823	67.7
289.06046	64.7
290.06296	100.0
291.06735	3.0
293.14752	1.8
308.27130	1.6
326.27948	2.2
370.42761	1.2
392.21689	2.8
435.33328	11.9
452.23669	7.6
453.34326	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86563	2.7
54.23288	2.6
55.05510	21.3
57.03430	4.2
59.04990	2.9
60.23374	2.7
67.05521	5.4
69.03416	4.6
69.07068	6.3
70.34130	4.8
71.04984	18.7
73.06560	3.2
79.05479	6.8
79.62261	2.5
81.03413	10.2
81.07053	22.0
83.04981	19.2
83.08638	6.8
85.02887	7.1
85.06538	3.0
91.05470	13.6
93.07036	19.0
95.04977	8.4
95.08617	13.9
96.40822	2.5
97.06541	4.9
100.11190	2.9
105.07028	27.3
107.08595	22.2
109.06515	4.0
109.10165	10.2
111.08084	4.2
119.08553	9.0
121.10159	23.5
123.08125	2.8
123.11691	6.2
125.09654	7.8
127.11208	4.3
129.53328	2.7
131.08586	10.0
133.10135	95.7
135.11688	9.1
137.06004	8.6
139.11200	4.1
141.82742	3.0
143.10680	16.1
145.10138	14.1
147.11713	12.7
148.13118	2.9
149.13266	5.7
151.11171	4.7
153.12749	20.0
159.11717	11.2
161.13248	3.2
163.11186	3.5
164.07077	5.2
167.06999	4.1
172.02931	3.7
193.12308	7.2
201.16423	22.4
211.13329	13.8
219.04123	2.7
219.17482	27.4
237.18497	100.0
255.19582	4.6
392.17972	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	452.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.4
56.96565	0.8
79.65236	0.4
81.07071	0.9
83.19684	0.5
89.06028	1.7
90.08173	0.4
93.46833	0.4
95.08601	0.8
105.07064	0.6
107.08596	0.9
109.06524	1.1
119.08606	0.8
143.17055	0.6
155.07018	1.0
173.13377	0.5
182.95084	0.5
201.12747	0.6
243.15347	0.4
317.19641	0.5
318.18271	1.6
367.01874	0.5
434.32458	2.1
452.33472	100.0
453.33868	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	453.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	7.3
57.03431	5.1
57.07084	2.9
59.04999	3.9
64.64627	1.9
67.05493	9.9
69.03435	14.7
69.07067	9.1
70.06609	2.8
70.58927	3.1
71.04988	23.4
73.02902	5.1
73.06569	2.8
79.05472	11.7
79.59360	1.8
81.03408	2.5
81.07055	38.0
83.04993	4.7
83.08623	5.7
84.08172	2.0
85.02907	14.9
85.06543	9.0
87.04461	3.2
91.05486	9.3
93.07044	24.6
95.04962	14.6
95.08614	16.8
96.82846	2.3
97.02902	6.7
97.06528	4.9
97.10172	5.1
99.08076	3.8
105.07029	25.2
107.08585	27.9
109.10150	22.2
115.03909	7.9
117.06974	2.5
119.08577	15.0
121.10140	74.5
122.10453	2.1
123.11718	15.4
125.09632	40.1
127.03905	4.3
127.11210	15.5
131.08569	6.9
133.04980	10.1
133.10127	81.9
135.11688	8.7
137.06017	3.0
139.11191	2.7
141.09113	3.5
141.12738	10.2
143.10674	100.0
145.04951	3.8
145.10144	10.6
147.11667	13.2
149.09631	2.2
149.13275	7.3
151.11203	9.3
153.12749	3.4
159.11676	17.1
161.13243	6.5
163.03915	5.5
163.06036	3.3
175.14816	3.5
189.16370	35.8
191.10809	2.4
191.17976	3.5
201.16359	15.8
207.17406	13.0
219.17447	38.9
225.18504	2.4
237.18460	35.6
255.19553	38.2
273.20605	11.3
291.21649	3.4
399.23557	4.5
453.13312	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	9.2
55.47279	3.7
67.05491	8.3
68.06070	3.7
69.03439	4.1
69.07065	16.2
72.04510	6.4
75.50462	3.5
79.05482	8.4
81.07053	14.3
86.83953	4.1
87.17677	4.1
89.97060	4.3
91.05485	7.6
93.07035	15.4
95.08611	20.6
105.07018	19.8
107.08593	18.9
109.06512	6.9
109.10155	6.6
117.07009	6.4
119.08578	29.4
121.06488	6.7
121.10145	19.8
129.06920	3.9
131.08556	9.4
133.10121	24.7
135.11658	8.5
143.08557	4.9
145.10100	20.0
147.11668	12.1
149.09665	6.9
151.11143	4.4
151.62149	4.6
157.10139	6.5
159.08060	22.5
159.11713	15.8
163.14902	5.5
171.11702	6.6
173.13269	12.4
175.14850	14.2
177.16451	6.1
179.18736	4.4
187.14824	16.5
189.16429	10.6
199.14874	9.9
201.16359	15.4
204.11269	5.3
205.12125	4.9
209.13393	4.8
237.14590	5.9
311.23776	5.4
335.18292	77.3
365.19278	26.9
399.16321	4.3
407.32892	10.8
419.27701	100.0
435.32553	17.6
453.16763	8.1
453.34161	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	453.3001
Annotation	dihydrocelastrol
Peak:m/z	Relative Intensity
55.05507	4.4
60.24931	1.2
64.81510	1.0
65.03946	1.3
67.05511	6.4
69.07068	7.9
69.44228	5.3
79.05479	9.2
81.06620	1.9
81.07058	22.2
82.47058	1.3
83.08634	2.7
91.05466	12.3
93.07050	17.6
95.04993	2.7
95.08607	20.0
97.06545	1.8
105.07025	28.9
107.08595	36.3
109.06512	4.0
109.10165	10.6
111.08098	1.4
115.10278	1.3
117.06995	5.2
119.08581	42.1
121.06494	6.5
121.10141	22.5
123.08063	2.1
123.11703	2.8
128.06245	1.3
129.07007	3.5
131.08556	12.3
133.06476	1.3
133.10121	21.6
135.08078	12.1
135.11679	11.2
137.09607	3.0
141.55421	1.1
142.07806	2.5
143.08572	9.1
144.09360	1.4
145.10117	18.1
147.08051	5.4
147.11691	11.6
149.09650	8.0
149.13264	6.2
153.09106	1.4
155.08524	2.9
156.09380	3.7
157.10146	11.0
159.08064	2.1
159.11700	19.5
161.09634	7.5
161.13268	26.5
163.11217	3.6
163.14828	13.4
169.10135	5.3
170.10912	3.4
171.11693	11.1
173.09619	3.8
173.13242	14.0
175.11130	6.6
175.14810	28.9
177.12802	3.8
177.16396	19.4
178.16840	1.4
181.10115	1.9
183.11693	5.3
185.09647	2.8
185.13246	17.5
187.11188	4.9
187.14848	9.4
189.12775	8.0
189.16403	4.9
191.14323	1.8
195.11685	5.7
197.13222	3.9
199.11108	1.7
199.14853	4.3
201.12761	3.8
201.16428	4.2
203.14337	14.0
203.18015	2.7
205.15854	6.6
209.13225	4.0
211.14850	2.9
213.12741	4.5
213.16388	3.1
215.14317	3.2
217.12314	4.6
217.15918	3.3
219.17494	2.5
221.13274	1.7
221.15323	2.2
223.14774	1.3
225.16354	2.9
227.14284	2.4
227.17906	5.2
229.15907	2.1
229.19518	2.6
231.13869	2.5
231.17461	3.9
233.15344	3.0
237.16467	3.3
239.17966	4.8
241.19545	2.0
243.17310	2.2
245.18991	2.4
249.14786	2.4
251.17992	1.4
253.19688	3.0
255.17401	2.0
257.18988	2.9
267.17517	2.7
267.20883	2.0
269.18964	1.7
271.20645	3.2
285.18597	1.5
285.22086	1.5
293.19009	2.8
299.19998	1.5
311.20349	1.9
319.20517	1.7
347.27301	2.1
351.26764	1.3
361.29031	6.4
363.26892	2.0
365.28488	10.8
371.27298	1.6
379.30057	12.7
379.34760	1.8
389.28400	22.0
393.28012	2.1
407.29453	100.0
408.29474	6.2
409.27515	1.4
417.27963	3.5
425.30490	4.8
435.28925	24.1
435.34421	2.2
453.23627	2.7
453.29996	50.5
454.30219	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	454.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58591	1.3
55.01872	3.2
55.05506	2.5
57.03436	13.8
59.05000	1.9
61.02929	2.2
65.03950	3.1
65.66152	1.4
67.05524	7.9
69.03429	41.9
70.06574	1.9
73.02914	10.3
79.05492	96.8
81.03414	3.3
81.07049	3.9
83.04993	1.8
83.08622	1.6
85.02904	37.3
86.09683	1.9
87.04469	26.8
91.05480	18.1
93.07060	1.9
94.76007	1.5
95.04980	5.3
97.02889	40.8
99.04454	2.2
105.07039	7.3
106.06563	2.6
107.04997	1.8
107.08592	100.0
108.08976	2.5
109.02889	2.9
109.06544	4.1
109.10149	1.6
115.03931	46.4
119.06052	2.6
120.08105	2.7
124.07660	3.8
125.09634	15.6
127.03938	3.8
133.04967	66.2
135.08025	1.7
139.71323	1.4
143.10660	14.8
145.04945	11.5
151.03957	2.3
160.32246	1.7
163.03879	2.1
163.05969	3.6
164.04303	2.4
165.05513	2.9
178.08623	2.8
189.26723	1.6
196.09622	1.8
239.12804	2.1
241.07048	3.3
259.08121	5.1
277.09229	2.4
290.02249	1.9
295.10239	3.6
378.19083	4.2
380.19730	1.6
423.12491	4.2
454.21957	13.0
455.15094	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	454.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01872	9.4
55.05513	5.6
55.52425	1.1
57.03436	20.4
57.07069	2.1
59.05007	2.7
61.02924	14.6
67.05506	3.9
69.03061	2.8
69.03426	36.6
69.07064	14.5
69.69052	2.6
71.01350	4.5
71.04998	7.0
72.65321	1.1
73.02912	81.0
73.98522	1.4
79.05502	3.7
81.03394	9.2
81.07056	7.3
83.04975	3.3
83.08598	6.9
85.02901	100.0
85.06541	1.2
87.04472	5.4
91.03963	4.5
91.05493	2.9
93.07048	3.7
94.49978	1.2
95.04952	1.5
95.08615	4.9
97.02885	62.5
97.06519	2.1
99.04458	4.5
100.11278	5.8
101.02339	1.2
103.03947	3.4
105.07033	2.3
107.04955	1.4
107.08613	4.3
109.02860	12.2
109.10149	4.1
111.04443	2.5
111.08114	1.7
115.03929	31.5
115.04710	2.0
119.08595	2.5
121.06535	1.6
121.10145	1.4
121.32793	1.2
125.13319	2.0
127.03904	35.4
133.04959	38.1
133.10178	2.7
135.11682	2.4
139.07568	2.4
143.14330	4.0
145.04953	50.5
147.11748	1.4
149.13278	1.4
150.07593	3.4
151.03912	1.5
153.01831	1.6
153.12741	2.8
155.14363	1.6
159.08156	1.4
163.06012	18.9
165.12755	1.7
173.13120	1.2
182.15416	4.5
183.13889	2.5
184.07327	3.0
193.04933	2.1
197.15359	2.0
209.15237	1.5
210.14885	5.5
211.06123	1.2
211.15149	1.5
217.06929	3.0
221.15382	1.9
223.06036	4.7
239.16434	3.4
241.07101	8.6
251.16510	1.5
257.17465	3.3
259.08133	12.3
264.78113	1.3
269.17508	2.1
277.09088	2.2
287.18613	2.0
295.10162	2.1
305.19662	4.3
366.27878	1.4
435.44040	1.2
444.83188	2.1
454.19531	1.3
454.25705	1.9
454.34018	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	454.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.6
55.05520	6.9
57.03439	36.3
57.07072	4.7
59.05009	3.3
60.08170	2.2
61.02922	7.6
67.05499	5.4
68.03576	1.8
69.03432	89.3
69.07076	20.2
70.06567	2.5
71.01353	3.3
71.04991	7.0
71.43927	2.0
73.02921	21.1
79.05489	3.7
81.03429	7.2
81.07072	8.8
83.08624	9.1
84.04514	2.0
84.08145	2.3
85.02905	98.7
86.09715	8.0
87.04467	52.1
87.26041	1.9
91.03969	4.1
91.05484	3.2
93.07043	4.9
95.04981	3.9
95.08612	7.6
97.02893	75.3
97.06541	3.5
99.04465	4.1
100.03110	2.1
100.11278	4.9
103.03980	2.1
104.10744	15.4
105.07065	3.0
107.08581	4.4
109.02895	7.6
109.10195	2.3
111.04454	2.9
111.08060	2.3
115.03934	98.6
116.04373	1.7
119.05016	2.4
119.08570	2.6
121.06481	1.9
121.10152	4.7
123.04498	4.4
125.00013	3.4
125.13225	2.0
127.03922	21.2
131.08589	2.3
133.04967	100.0
133.10159	3.3
143.14261	2.9
145.04967	36.3
145.10123	3.7
147.04437	2.2
147.74298	2.0
149.02370	4.6
149.13251	3.3
149.94763	1.9
150.07619	16.6
151.07559	2.0
153.01907	3.0
153.12782	3.9
155.08534	2.1
159.11674	2.5
163.06068	11.4
163.33476	1.9
165.09064	2.6
169.04936	4.1
183.13789	3.1
184.07343	13.6
193.05009	6.6
209.15390	6.6
221.15408	2.4
223.06001	5.5
227.53564	2.1
228.13857	2.2
239.16382	4.1
241.07211	5.9
259.08167	5.4
269.17563	4.7
272.20187	4.2
277.09198	2.4
287.18521	2.2
287.62418	2.0
290.21051	5.3
295.10245	4.0
300.23175	4.3
305.19598	3.7
351.22516	3.0
436.24478	2.9
454.25568	21.7
454.34235	3.6
458.65219	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	454.2932
Annotation	Glycerophospho-N-Palmitoyl Ethanolamine
Peak:m/z	Relative Intensity
55.05499	3.5
57.03439	5.3
57.07073	25.2
62.05777	1.4
62.06086	24.7
67.05501	5.6
69.07067	5.5
70.12299	1.8
71.08269	1.5
71.08630	16.6
78.21119	0.7
79.05482	1.8
81.07058	6.9
83.08607	6.0
85.10182	10.9
89.06040	1.0
93.07054	1.3
95.04916	0.9
95.08600	9.2
97.10184	1.8
98.98453	6.0
103.07561	1.0
107.08592	1.2
109.10157	3.9
120.80862	0.8
121.10110	1.0
123.11755	1.0
124.01587	1.1
127.28646	0.7
142.02652	1.7
155.01035	6.2
173.02116	0.8
198.05301	1.3
216.06313	3.4
221.22729	0.9
239.23689	2.3
272.42664	1.2
275.20126	0.9
282.27905	34.4
283.28308	1.0
313.27353	100.0
314.27444	4.5
393.23999	6.1
419.27762	1.1
436.27969	3.5
454.28793	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2933
Annotation	Glycerophospho-N-Palmitoyl Ethanolamine
Peak:m/z	Relative Intensity
52.77483	0.4
54.97300	0.5
55.05506	1.4
56.63073	0.4
57.07079	4.5
59.65201	0.4
62.06081	1.4
67.05500	2.1
69.07066	1.3
69.69978	1.0
69.70342	1.0
71.08617	2.3
79.05489	1.4
81.07055	3.0
83.08617	1.0
85.10194	1.3
88.39740	0.4
91.05491	1.2
93.07051	1.2
95.08627	2.0
97.06522	0.7
97.10183	0.7
98.06100	0.6
98.98498	0.6
105.07041	1.1
107.08633	0.9
109.06493	0.5
109.10139	0.8
117.07002	0.4
119.08619	1.1
121.10146	0.9
123.11708	0.5
124.50070	0.4
133.10144	0.5
135.08119	0.6
135.11694	0.7
137.09679	0.6
145.10110	0.5
147.11607	0.6
151.49734	0.4
159.11795	0.5
163.11220	0.6
169.55394	0.4
181.06500	0.5
181.12206	0.5
217.15770	0.5
275.20099	2.0
282.27921	100.0
283.25235	0.6
283.28284	4.6
300.29077	0.7
313.27429	3.5
334.22314	0.4
454.33649	0.5
455.31534	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
57.03437	5.4
57.07073	24.2
61.02917	5.8
67.05507	9.5
69.03419	18.9
69.07096	3.2
71.04989	5.1
71.08626	15.9
81.03418	20.6
81.07063	9.0
83.08611	5.3
85.02901	100.0
85.10193	10.0
95.08604	15.3
97.02892	40.6
97.03487	4.2
97.69923	2.8
99.04497	4.1
108.45830	3.7
109.02873	20.0
109.10145	8.9
127.03912	31.3
145.04985	20.0
183.17441	31.2
219.34038	3.6
240.40147	3.6
280.62546	3.2
316.28616	3.1
327.21567	14.7
333.20081	3.9
334.20703	13.6
345.22699	45.6
372.16422	4.5
384.56723	4.2
396.92828	3.6
401.23126	4.1
441.91522	3.2
461.71371	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	454.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	9.1
57.07076	67.9
67.05500	11.2
69.03418	6.3
69.07069	7.9
69.43008	15.2
71.08632	37.6
79.05508	4.5
81.03426	3.8
81.07060	22.0
83.08633	13.1
83.77588	3.2
85.02902	19.6
85.10189	28.0
93.07062	4.7
95.08604	35.8
95.89627	3.4
97.02901	41.8
97.10188	3.6
99.04455	4.9
107.08614	4.8
109.02866	6.6
109.10156	27.3
109.85993	3.3
114.18745	2.9
123.11726	5.5
127.03905	21.3
142.93845	6.3
145.04976	7.9
175.42583	3.3
182.47299	3.4
183.17442	100.0
183.39034	3.1
257.40240	3.4
259.99402	3.2
267.19675	3.6
288.00800	3.4
327.21631	42.5
334.20764	14.8
345.22665	61.0
346.23007	5.1
372.16174	8.5
394.22543	3.5
421.25839	4.7
437.25095	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	455.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41027	0.5
56.80898	0.5
58.55608	0.5
70.30551	0.9
92.03926	0.5
112.89603	0.9
119.37981	0.5
350.20947	0.5
455.11612	100.0
456.11987	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	455.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
61.04391	0.6
61.26761	0.7
69.40760	3.5
98.23428	1.3
191.06236	0.6
193.77278	0.6
248.63989	0.7
293.05405	0.7
373.15314	0.9
394.55804	0.7
455.11618	100.0
456.12219	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	455.1524
Annotation	TyrMe-His-OH
Peak:m/z	Relative Intensity
65.33286	0.2
66.02978	0.2
67.05514	0.3
69.03438	0.8
69.51361	0.5
69.51733	1.0
71.04982	0.4
71.40123	0.3
71.79324	0.3
79.05487	0.3
81.07063	0.6
85.02917	1.4
85.06551	0.3
87.04469	0.4
91.05484	0.6
97.02899	0.9
99.08048	0.3
105.07043	0.3
109.06528	0.6
113.21276	0.3
124.07550	0.4
125.09648	0.3
127.03933	0.3
127.07590	0.9
133.02892	0.2
133.05109	0.3
133.65993	0.2
143.10649	0.4
145.04950	0.3
145.08601	4.1
164.07076	0.4
165.05463	0.9
167.07086	0.3
246.89076	0.3
293.10071	0.8
303.37314	0.3
307.13986	0.3
362.09314	0.3
367.94702	0.3
379.80954	0.3
395.06366	0.3
400.36215	0.3
423.12866	0.8
455.15247	100.0
456.15543	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	455.2046
Annotation	20,22-Dihydro-22,23-epoxywalsuranolide
Peak:m/z	Relative Intensity
55.05518	0.7
57.03443	0.7
60.25550	0.4
67.05511	0.7
69.03425	1.3
69.07077	1.1
69.45196	1.8
69.45544	0.5
73.02903	0.8
79.05515	0.9
81.07056	1.3
83.08626	0.5
85.02904	1.8
91.05475	0.8
93.07023	0.7
95.08611	1.0
97.02892	1.2
97.62054	0.4
105.07054	0.7
106.15585	0.5
107.08575	1.2
109.10173	0.9
115.03963	0.7
119.08572	1.3
121.10160	0.7
131.08554	0.7
133.04979	0.8
133.10141	0.9
133.95125	0.5
143.08524	0.7
145.02863	0.7
145.04907	0.9
145.10100	0.7
157.10161	0.5
159.11684	1.0
177.05469	2.1
203.05385	0.5
215.17752	0.5
265.11890	1.0
266.11942	0.6
293.13666	0.7
293.17032	0.9
320.15042	0.5
353.04388	0.5
371.93945	0.5
421.01236	0.5
455.20404	100.0
456.20621	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	455.2253
Annotation	Incaspitolide E
Peak:m/z	Relative Intensity
55.05515	1.2
57.03461	0.7
57.07068	0.6
57.24924	0.4
58.75996	0.5
59.02636	0.5
64.04067	0.5
66.13359	0.5
67.05515	1.1
69.03423	1.1
69.07070	4.0
69.94223	1.1
69.94555	0.5
70.06619	0.6
77.64887	0.5
79.05495	0.9
81.07074	0.9
83.08622	1.1
85.02892	0.9
86.09706	1.8
93.07032	0.8
95.01099	0.5
95.04984	0.8
95.08627	2.0
97.02867	1.1
98.22821	0.7
105.07069	0.7
107.08589	0.9
109.10156	0.5
115.03918	0.5
121.10201	0.7
133.10196	0.7
143.14316	1.6
145.10150	1.1
180.75531	0.5
192.10211	1.2
203.05281	1.8
205.12024	0.6
226.12213	0.5
245.06334	9.6
245.08713	0.7
265.11795	3.6
275.16205	1.4
293.17294	3.2
293.20816	0.7
303.10495	10.4
315.13419	0.7
385.18338	13.8
397.18610	0.6
455.22559	100.0
456.22556	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	455.2489
Annotation	Tenovin-6
Peak:m/z	Relative Intensity
53.03936	1.3
55.05512	18.6
56.05851	2.2
57.03438	4.0
57.06813	1.4
57.07077	16.4
59.05007	1.8
61.01718	0.7
61.02921	2.0
67.05506	2.9
69.03433	8.7
69.07069	100.0
69.11059	5.1
70.06589	1.5
70.07401	1.2
71.05016	0.8
73.02919	4.7
81.03418	1.2
81.07056	1.0
82.06627	1.5
83.04998	0.9
83.06908	0.9
83.08623	42.5
84.08957	3.3
85.02912	14.4
87.04473	3.5
97.02896	10.6
97.10171	1.8
98.09658	1.2
98.23418	1.9
100.07645	2.7
100.11258	43.7
101.10934	1.8
101.11584	19.0
102.11927	1.5
109.02897	2.2
109.06529	1.0
110.06061	2.7
111.04436	4.4
112.04797	1.4
112.07645	0.9
115.03937	6.2
117.13904	0.8
125.13267	10.8
126.09167	1.5
127.03899	4.3
127.08715	0.7
128.07104	2.3
129.07442	0.9
133.04971	6.4
137.05937	0.8
139.08699	2.1
140.07097	1.5
140.09041	1.5
143.14316	87.1
144.14687	1.1
145.04985	3.5
145.10222	0.7
161.15361	19.3
163.06068	1.7
182.15396	8.3
183.15762	8.5
184.16031	0.8
209.16473	7.8
210.14919	8.8
210.16876	9.2
211.15260	8.9
211.17159	3.3
212.15549	3.9
226.19186	2.9
227.19551	2.9
228.19969	1.1
266.30090	0.9
327.28409	1.9
328.28497	1.0
337.23077	1.3
338.23322	0.9
436.33679	9.0
437.33859	10.8
454.34702	32.4
455.22852	12.7
455.34958	57.8
456.35318	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.7
55.98469	1.3
57.42622	1.1
57.52935	1.2
67.05515	1.8
69.07067	2.3
79.05514	1.7
81.07061	4.6
88.33517	1.2
91.05500	1.7
93.07058	3.5
95.04974	1.6
95.08636	4.7
97.06536	1.6
105.07036	2.7
107.08611	3.6
109.06507	1.2
109.10205	1.5
119.08575	6.0
121.06537	1.8
121.10132	3.3
123.08047	1.5
131.08569	2.2
133.10146	3.0
145.10161	2.2
147.11745	2.7
149.09656	3.3
157.10161	1.8
159.11763	2.1
159.95374	1.2
161.13351	2.3
173.13336	1.9
175.14952	1.3
185.13402	1.4
201.16394	1.5
221.92297	1.2
229.13531	1.2
247.17117	1.2
283.22720	2.5
292.54224	1.3
325.19489	1.4
351.24960	1.6
369.26129	5.6
411.27142	38.7
412.27524	1.6
455.26044	100.0
456.26474	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	455.3521
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
55.05509	18.0
57.07080	8.1
66.70147	2.6
67.05502	24.9
69.07063	22.0
69.44911	2.5
69.48937	13.8
69.52654	2.5
79.05492	20.9
81.07055	43.0
83.08619	13.3
85.06530	3.5
91.05486	22.4
93.07047	54.9
95.04985	5.8
95.08607	81.6
97.06531	4.9
97.10175	6.9
105.04509	2.5
105.07027	44.3
107.08596	96.8
109.06498	2.6
109.10153	45.5
111.08099	4.4
117.07027	8.6
119.08582	100.0
121.10148	52.8
123.08077	4.9
123.11678	13.2
124.93767	6.5
131.08543	28.8
133.10130	68.0
135.11678	44.8
137.13246	4.7
138.47021	2.7
142.94771	3.4
143.08577	11.7
145.10132	40.3
147.11673	42.0
149.13255	24.0
150.23474	3.6
151.07587	4.4
153.09177	6.3
157.10164	12.3
158.11095	2.6
159.11690	38.8
161.13254	39.1
163.07559	5.2
163.14819	28.1
165.12753	3.8
171.11711	10.2
173.13313	24.4
175.14833	16.8
177.09081	8.7
177.16422	15.8
179.14316	17.6
185.13298	7.5
187.14857	25.1
189.16383	75.3
191.17931	14.7
199.14854	6.9
201.16383	47.8
203.17944	48.9
207.17467	12.1
213.16374	10.2
215.17975	21.0
217.19469	6.5
219.17458	4.3
221.19084	9.8
227.17958	7.7
229.15877	5.9
229.19513	23.7
233.15343	3.6
235.17012	9.1
241.19638	7.9
243.21043	13.5
247.16936	47.1
249.18513	7.0
255.21013	7.9
261.18509	7.5
261.22000	3.2
269.22614	4.3
273.18494	4.0
275.20093	10.4
283.23840	3.6
289.21576	7.1
301.21786	7.2
315.23111	4.5
391.33484	12.0
409.34561	28.9
428.78488	3.2
437.34140	52.1
438.34641	4.9
455.21503	10.1
455.35324	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22423	1.9
52.80980	2.6
55.01865	15.9
55.05511	24.5
57.03433	37.3
57.06860	2.4
57.07080	21.0
61.02921	5.0
65.03941	2.9
67.05502	62.5
69.03423	3.4
69.07065	34.2
71.04997	2.3
71.08639	9.8
73.02920	7.7
76.77930	2.0
79.05492	17.8
81.07053	79.6
83.08612	31.0
85.06546	15.9
85.10175	7.4
91.05466	7.8
93.07035	17.2
95.08603	100.0
97.06513	2.4
97.10167	41.2
105.07030	4.7
107.08582	14.1
109.10151	45.2
111.11713	16.3
117.05492	78.6
119.08556	3.0
121.10132	15.4
123.11713	22.2
124.23557	2.2
125.13274	7.1
129.05472	74.0
135.11720	9.2
137.13272	11.3
143.07054	12.5
145.10083	2.7
148.05533	2.2
149.13181	4.2
151.14804	4.6
171.11565	1.9
183.07994	1.9
199.09619	2.4
229.76077	2.0
277.28894	15.9
295.29907	19.2
303.30411	5.8
321.31494	3.2
327.30722	2.7
339.32568	7.5
345.31320	4.6
363.32550	4.6
437.36328	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	456.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.8
57.03447	2.5
64.61015	1.5
67.05488	5.6
69.03423	4.0
69.07075	3.7
71.45631	1.7
79.05489	5.7
81.07072	9.1
85.02893	4.2
87.04473	3.2
91.05473	4.3
93.07040	5.0
95.04975	5.8
95.08613	4.8
97.02890	3.2
98.97573	2.3
105.07039	5.6
107.04958	100.0
107.08606	4.5
109.02901	2.0
109.06574	3.6
109.10145	2.2
115.03935	2.7
116.98646	1.9
117.07011	3.3
119.08580	4.4
121.10149	2.5
123.04428	2.3
123.11748	2.0
129.07008	4.7
131.04921	1.7
131.08585	2.8
133.04985	4.5
133.06516	2.5
133.10132	2.9
137.09615	2.4
139.03886	7.4
141.07069	2.6
143.08585	3.2
145.05016	2.2
145.10225	1.7
149.02351	2.1
151.03857	2.3
155.08554	3.0
157.10068	2.5
165.05545	2.4
165.09161	12.5
167.08560	2.6
169.10124	3.1
171.07967	2.2
181.10173	2.1
185.06038	2.4
185.09569	1.9
186.12740	2.1
195.07994	2.3
197.71581	1.8
204.13882	2.0
233.84993	1.4
239.91469	1.6
256.84302	1.9
257.11752	2.4
274.97427	2.4
275.12985	1.4
284.23767	2.3
292.98630	2.0
293.13800	2.0
302.24847	9.9
307.15198	19.1
325.17978	5.0
335.16388	6.6
353.17508	15.3
367.18585	1.8
371.18417	6.9
385.19910	4.6
389.19675	3.6
403.21024	2.2
438.34796	1.7
456.25400	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	456.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07800	2.6
55.05526	5.1
57.03437	23.0
59.04988	6.9
61.02927	3.5
67.05510	7.8
69.03428	65.2
69.07064	3.5
69.43805	11.9
73.02898	6.7
81.03391	5.1
81.07066	9.2
85.02905	100.0
87.04468	52.9
97.02891	66.2
98.97609	6.5
99.04431	5.4
99.40446	3.1
105.07006	3.8
107.04977	10.1
107.08569	4.4
109.02849	3.5
115.03931	85.4
116.98574	4.5
119.08537	3.3
127.03907	20.9
130.46460	3.2
133.04962	100.0
141.03983	3.1
145.04961	36.3
150.07639	10.0
163.06020	13.9
165.09224	7.4
175.11211	3.7
274.97491	6.9
284.23703	4.0
292.98502	3.9
302.24948	6.7
305.35968	3.0
307.15289	3.8
353.29724	4.0
456.24945	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	456.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22511	0.9
51.78207	0.8
53.03940	1.4
55.01874	9.2
57.03434	15.8
59.04997	3.6
61.02640	1.0
61.02930	14.3
67.05502	1.1
69.03430	31.1
69.63339	3.9
71.01360	4.6
71.04994	1.8
73.02917	69.9
78.89856	0.9
79.05477	0.9
81.03424	7.0
81.07055	2.1
83.04951	1.5
85.02906	100.0
87.04467	5.4
91.03949	5.1
91.05503	0.9
93.07010	1.2
95.04922	1.2
97.02893	48.8
98.97580	1.7
99.04450	4.7
103.03945	2.2
107.04958	2.6
109.02892	8.5
109.10139	1.0
113.06068	0.9
115.03932	26.0
119.08633	1.3
125.00004	1.3
127.03188	0.6
127.03914	32.2
133.04962	35.4
145.04961	55.8
145.10094	1.1
150.07626	2.6
157.04958	1.1
159.11732	1.2
163.06013	22.9
165.09122	2.9
181.04919	1.4
186.12788	1.9
193.04974	1.6
199.05930	1.3
204.13898	5.3
211.06064	1.3
217.07097	1.6
223.05983	4.1
241.07082	4.7
241.17960	1.6
251.02199	0.9
259.08124	6.7
274.97275	1.4
277.09241	1.4
284.23621	1.3
295.10263	2.4
302.24811	6.6
307.21130	1.7
349.82571	1.0
379.15109	0.9
456.24808	3.3
457.27805	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	457.22
Annotation	berkeleydione
Peak:m/z	Relative Intensity
52.94857	1.0
56.96549	1.6
71.04465	1.2
75.24266	0.9
75.91766	0.9
111.90495	0.9
125.45397	0.9
138.91774	1.1
161.04807	1.1
163.03925	1.5
163.81076	0.9
173.30188	1.0
214.11015	1.0
270.58237	1.0
295.15649	1.1
454.34921	1.1
457.21964	100.0
458.22339	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	457.241
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
56.02581	0.3
57.82652	0.3
59.96528	0.3
62.22667	0.3
67.05499	0.6
68.93272	0.3
69.03431	0.3
70.06589	0.6
73.78033	0.3
85.02912	0.5
86.31012	0.3
91.05514	0.4
105.40321	0.3
111.04215	0.3
114.57602	0.3
127.11211	0.3
133.05049	0.3
140.44833	0.3
163.03935	0.9
180.06566	0.4
185.04178	0.4
196.09715	0.4
196.14731	0.3
201.03699	0.9
203.05251	3.5
224.94122	0.3
239.87210	0.3
277.17731	4.7
279.19281	3.8
279.22055	0.4
295.18832	0.7
296.11353	0.8
324.13617	0.3
345.15256	0.4
369.18979	0.6
387.19891	1.2
418.65570	0.4
439.23233	0.9
457.24127	100.0
458.24493	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	457.2414
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
54.27842	0.3
69.03423	0.4
69.07079	0.3
70.06615	0.5
71.45481	0.4
72.08148	0.4
81.07050	0.5
85.02939	0.6
86.09719	1.0
90.26435	0.3
91.05515	0.3
93.07041	0.4
95.08638	0.6
97.02972	0.3
117.03397	0.4
120.08090	1.6
124.07522	0.4
133.06525	0.4
138.09248	0.3
145.06580	0.3
163.03911	2.4
164.45888	0.3
185.04219	0.4
203.05238	2.1
265.11874	0.7
266.12317	0.4
277.17743	3.7
295.18903	1.4
303.10544	0.4
369.18826	0.9
371.16855	0.5
385.17874	0.4
439.23035	1.0
457.24088	100.0
458.24332	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	457.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94996	0.3
64.77395	0.2
65.46115	0.2
70.72315	0.2
76.45795	0.3
81.07060	0.6
85.02901	0.6
95.05044	0.3
98.22629	0.6
113.02115	0.5
127.62375	0.3
163.03886	0.7
185.04303	0.6
201.03741	0.7
203.05237	3.3
207.13597	0.4
226.07126	0.3
262.94904	0.3
277.17715	4.5
277.20535	0.3
292.55270	0.3
295.18762	1.0
296.11359	1.1
301.12497	0.3
333.12311	0.3
345.15271	0.7
369.18906	1.1
387.19855	2.3
439.22992	1.5
457.24097	100.0
458.24353	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	457.2771
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
55.05499	0.7
67.05501	0.5
71.45861	0.3
81.07045	0.6
83.08584	0.5
91.05495	0.5
93.07041	0.5
95.08604	0.6
96.97318	0.4
98.89498	0.4
105.07007	0.5
107.08579	0.5
112.07614	0.5
119.08567	0.7
121.10076	0.5
145.10205	0.5
224.62332	0.4
244.57312	0.4
383.93616	0.4
453.53726	0.4
457.27719	100.0
458.28143	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	457.3678
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
55.05510	20.2
57.07075	10.6
66.88513	7.7
67.05494	35.3
69.07066	33.0
69.38857	24.7
69.39256	13.3
69.79604	7.4
71.08625	7.9
79.05472	19.0
81.07059	67.6
83.08604	12.7
91.05469	25.7
93.07056	61.8
95.08607	100.0
96.08955	7.6
97.10139	11.2
105.07043	33.4
107.08601	72.3
109.10152	50.9
117.05494	9.6
119.08597	47.3
121.10158	71.0
123.11745	15.9
133.10153	40.5
135.11696	32.2
145.10175	11.7
147.11674	15.4
149.13229	17.5
159.11696	11.1
160.95764	7.5
161.13290	8.8
163.14830	24.2
175.14816	18.6
177.16403	18.7
189.16338	24.3
191.18030	19.6
203.17966	21.7
393.34979	8.4
411.36212	95.8
439.36533	13.0
457.44354	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	459.135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22897	1.4
51.94439	1.5
55.05502	1.9
56.96560	4.2
69.03414	2.2
81.73614	1.5
85.02903	4.0
91.16045	1.8
95.08598	2.0
97.02884	4.7
98.97578	19.4
100.00079	3.3
101.00877	12.9
107.04976	1.8
109.06528	5.3
110.97569	5.7
112.18934	1.6
113.00859	5.4
115.02395	1.9
116.98637	9.0
118.01128	4.9
119.01916	17.4
119.04919	2.7
119.07030	1.7
123.07986	1.6
127.03911	3.5
128.98601	4.5
131.01897	12.3
131.19324	1.6
137.05968	32.1
142.01094	6.4
143.01901	19.6
144.02657	1.7
145.03510	7.6
147.04404	4.9
155.01915	8.1
156.02625	4.9
157.03458	3.8
158.99620	1.7
160.02202	5.7
161.02959	35.3
161.05817	1.7
163.03819	3.5
168.02681	4.5
172.02187	2.9
173.03004	7.5
174.03760	1.5
177.03999	4.0
178.01080	3.1
179.01915	2.2
179.07027	22.2
181.03493	6.2
184.02164	3.6
185.02898	2.9
185.06714	1.7
186.03728	3.5
193.03423	2.0
194.04288	2.3
195.05008	16.2
196.02177	12.7
197.02924	7.0
203.03998	20.6
204.02625	3.0
205.03355	3.1
209.06560	2.5
214.03288	2.0
218.04222	3.3
219.01802	14.3
219.04979	31.7
221.03024	2.5
221.04951	16.4
222.03751	4.7
223.04494	5.2
225.04292	2.7
226.03197	3.3
231.05081	8.3
233.06616	4.4
235.04610	4.1
235.08127	2.2
236.05249	4.0
237.00748	2.7
237.02765	9.7
237.06094	27.2
238.03180	1.8
238.63878	1.7
240.04742	2.1
243.07251	3.5
244.04274	99.1
245.04796	11.8
246.03767	5.6
247.04546	9.0
248.05307	1.9
249.06035	9.5
251.07693	2.6
253.05602	5.7
253.09332	1.9
259.04477	9.7
260.05365	1.7
261.06058	20.7
262.05203	9.9
263.06131	6.0
264.04745	14.6
267.07178	2.7
273.05978	3.4
274.97543	8.7
277.05402	2.7
279.07156	28.3
280.07217	1.9
285.08331	2.1
291.07150	5.3
292.98645	3.4
297.08249	56.3
298.08398	4.3
300.04712	3.7
307.06693	11.7
309.08167	7.1
314.95383	2.1
315.09192	3.5
320.07443	3.3
321.08163	19.0
323.09665	2.2
333.08142	3.2
336.06863	2.9
339.09344	13.3
348.06888	71.5
349.07306	7.0
351.09189	3.5
357.10257	6.9
363.09290	27.8
366.08044	9.8
369.10052	4.1
381.10275	96.0
382.10434	7.4
399.11368	100.0
400.11578	8.0
417.06729	2.9
417.12305	12.8
441.12378	6.1
459.06458	2.9
459.13406	24.9
460.13547	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2567
Annotation	Astemizole
Peak:m/z	Relative Intensity
57.86741	0.3
69.58050	1.4
77.87613	0.3
81.07059	0.4
94.12217	0.3
105.94321	0.3
115.03691	0.5
117.87527	0.3
148.19034	0.4
165.09125	0.4
459.25650	100.0
460.26041	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	459.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.6
67.05520	0.5
69.07086	0.5
70.00223	0.4
81.07096	0.7
93.45335	0.5
95.08596	0.6
105.07054	0.5
107.08606	0.8
115.03709	0.9
119.08624	0.6
138.01242	0.5
165.09096	0.9
181.38974	0.6
252.07016	0.5
459.25681	100.0
460.26306	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	6.0
57.07075	13.8
67.05502	7.5
69.03397	0.7
69.07068	9.6
71.04979	1.1
71.08629	1.8
79.05477	2.8
81.07054	13.6
83.04979	0.7
83.08592	3.2
85.06534	8.6
91.05464	1.6
93.07050	3.9
95.08604	9.3
97.06478	1.0
97.10143	3.4
98.23475	1.1
98.66038	0.6
99.08057	0.7
105.07047	3.6
107.04941	0.9
107.08597	3.9
109.06532	0.9
109.10162	7.7
119.08556	4.9
120.96648	2.0
121.06474	0.8
121.10107	4.3
122.07293	1.0
122.10488	0.7
123.11693	2.3
125.05991	0.7
128.10672	0.6
131.08539	1.0
133.10107	0.8
134.98164	2.0
135.08017	1.7
135.11696	2.4
137.09601	9.3
137.13239	0.7
145.10115	1.2
149.09612	10.1
149.10693	1.2
149.13258	1.3
151.07547	1.5
157.10124	0.7
159.11632	1.4
160.75420	0.6
161.13277	1.2
162.06799	1.1
163.11195	4.4
163.14900	0.7
165.09109	100.0
166.09427	1.4
169.12378	0.6
172.08803	0.8
173.09694	0.7
174.10457	0.7
175.07536	1.0
175.11232	2.2
176.08295	1.0
177.09123	5.9
177.12823	0.9
177.16429	0.6
179.10664	0.8
187.11180	1.6
189.09105	1.2
189.12735	1.3
190.09898	1.3
191.10614	3.9
199.11122	1.0
201.12686	0.9
203.10687	4.4
205.12241	16.9
215.14293	0.8
217.12068	0.8
219.13924	1.0
231.13875	0.9
245.15311	0.7
304.49881	0.7
325.27359	1.3
334.89020	0.6
339.28931	1.7
357.27881	0.8
357.38602	0.8
363.30878	1.0
387.91800	0.7
423.32370	1.0
431.31445	2.5
441.33438	3.5
459.17944	1.4
459.24460	3.7
459.35538	5.1
460.35080	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.01862	0.5
56.05051	0.2
57.03419	0.5
57.45334	0.2
58.99310	0.1
58.99580	3.6
61.02917	0.5
62.50912	0.2
67.05513	0.3
68.05017	0.5
69.03425	1.7
69.33401	0.7
69.33813	0.4
71.01373	0.3
71.04983	0.6
73.02913	1.0
75.02678	0.3
76.02219	0.2
77.03938	0.3
78.03459	0.3
79.05481	1.2
80.05012	0.7
81.03419	0.9
81.07043	0.3
85.01122	3.1
85.02901	3.8
86.00651	21.4
86.99052	2.2
88.02196	0.6
91.05486	0.7
92.02908	0.2
93.07045	0.8
93.66277	0.2
95.04961	3.7
95.05524	0.3
96.04497	3.4
97.02892	3.6
97.06522	0.2
99.04472	0.2
100.02206	1.1
102.03760	2.8
103.05473	0.6
105.00064	1.5
105.07022	0.3
106.06543	2.1
107.04959	1.7
108.04474	0.4
109.02885	1.0
112.02201	0.3
112.03945	0.2
115.03926	0.4
119.04989	0.3
120.04482	0.3
121.06515	1.7
122.02377	1.5
122.06052	0.3
123.04433	1.2
124.03948	91.8
125.04282	1.3
125.05954	0.5
126.05505	0.7
127.03907	0.8
131.01646	0.5
131.04922	0.9
132.01149	8.4
133.05008	0.3
135.02611	0.3
135.04408	2.0
140.03407	2.4
144.60735	0.2
145.04941	0.6
146.02705	0.3
146.05986	0.3
147.04465	0.3
148.04225	0.2
148.07581	1.1
149.05991	4.7
150.05496	0.7
151.02106	0.2
151.03900	5.5
153.03685	0.3
153.05486	1.1
154.03227	0.9
159.04375	0.3
162.03738	0.2
162.09207	0.2
163.03891	0.5
164.01677	0.6
164.05292	0.7
166.03214	0.7
176.07077	1.1
177.05408	0.3
178.05067	0.2
178.06804	0.3
181.03206	1.3
182.02695	21.9
183.03023	0.7
184.04266	3.1
188.05322	0.4
189.03693	0.2
194.04549	0.2
196.07658	0.2
200.03848	0.4
206.06415	1.2
208.04276	0.5
208.07913	0.4
210.02251	0.6
210.05795	2.2
212.03712	0.2
216.04843	0.3
224.07382	3.3
228.03241	38.0
229.03563	0.9
230.04779	1.6
234.05820	4.1
252.06886	33.0
253.04770	0.2
253.07130	1.1
264.08511	0.2
280.06363	4.6
281.06781	0.2
288.15570	0.2
298.07419	100.0
299.07773	3.5
315.22061	0.2
442.11819	0.5
460.12515	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.6
55.44510	1.5
57.03435	44.2
57.66053	1.8
58.99586	2.0
59.04980	1.8
61.02926	16.6
67.05477	1.9
68.72327	1.7
69.03426	52.7
69.42349	5.1
69.42756	3.6
71.01342	6.8
71.04981	2.5
73.02914	93.9
74.50209	1.8
79.05495	1.9
81.03400	7.0
85.02407	3.6
85.02903	59.9
86.00640	10.5
87.04452	2.9
91.03963	2.3
91.05496	3.0
93.07055	1.8
95.04961	4.4
95.08600	2.1
96.04468	3.1
97.02888	79.6
98.22716	4.1
99.04453	3.2
103.05466	16.7
105.07032	2.3
107.08566	1.9
107.09269	1.7
108.47539	1.5
109.02867	5.8
115.03924	70.6
119.04941	3.6
124.03947	44.8
125.00010	2.0
125.04294	2.3
127.03927	18.6
131.04926	91.3
131.08574	2.3
131.91631	1.9
132.01151	3.3
133.04967	19.9
137.05931	2.3
144.06540	2.9
145.02893	2.6
145.04970	18.4
147.04404	29.9
149.05978	100.0
150.06299	2.3
151.03902	4.4
157.06398	1.6
162.07605	3.1
163.03793	2.5
163.06003	6.6
163.07350	2.0
165.05443	2.6
180.08575	3.5
182.02687	13.4
184.04213	2.6
217.06975	2.1
223.06050	7.3
228.03267	19.5
241.07147	8.0
245.07967	3.0
252.06902	17.9
259.08102	5.1
263.12805	3.5
280.06320	3.1
288.19485	2.8
293.10178	3.8
294.12067	2.2
298.07422	48.8
299.07666	3.9
306.20609	16.6
416.80542	1.9
460.20801	2.9
460.26181	4.0
461.20264	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90227	1.9
55.01877	2.3
56.82936	1.5
57.03437	44.4
57.58704	1.5
59.04997	1.5
59.47706	1.6
60.04525	1.8
61.02925	12.2
64.43050	1.7
64.57425	1.5
69.03064	3.1
69.03428	43.0
70.06578	3.1
71.01350	8.3
71.04993	2.1
73.02919	94.7
79.05489	2.8
81.03409	5.8
83.04976	2.3
85.02403	3.8
85.02905	64.4
86.00637	10.5
86.99072	2.8
87.04488	4.2
91.03938	3.1
91.05487	4.2
93.07063	3.2
95.04986	2.4
96.04481	3.6
97.02895	77.6
98.23524	3.6
99.04446	4.3
103.05459	18.9
105.07008	2.2
106.06553	2.9
107.04981	3.5
109.02878	6.7
115.03933	70.9
117.07005	1.5
119.04926	6.1
120.08088	2.3
121.06493	2.7
124.03954	49.5
125.00037	3.7
127.03905	19.7
131.04926	95.8
131.08569	3.1
132.01134	3.9
132.05286	1.9
133.04958	20.3
135.04427	2.1
136.07591	2.2
137.16307	2.0
144.06581	4.1
145.04944	21.4
147.03317	2.2
147.04422	32.8
149.05983	100.0
150.06451	2.0
150.07585	2.2
151.03880	3.1
153.05475	1.8
158.09595	1.9
162.07585	2.9
163.03886	7.9
163.05994	6.1
165.05496	2.6
177.05435	2.0
180.08751	2.4
181.04933	2.2
182.02647	10.9
191.24742	1.8
200.12769	2.3
223.06049	6.9
228.03226	19.9
241.07091	6.4
245.08012	3.0
252.06903	15.4
259.08145	5.5
263.09119	1.9
263.12863	2.6
280.06461	3.1
288.19601	6.7
293.10300	2.6
295.10306	3.1
298.07431	46.3
298.10852	3.0
299.07892	2.0
306.20700	21.8
317.14560	1.8
349.29166	1.7
390.30048	1.7
460.20706	3.7
460.26419	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.8
57.13605	0.3
69.03432	1.8
69.72707	0.7
71.04991	0.4
72.08149	0.5
73.02905	0.3
73.06565	2.1
74.06888	0.3
79.05489	0.7
81.03416	2.5
83.04984	0.4
85.02911	2.4
86.09713	0.6
89.03910	4.5
91.05462	0.9
95.05016	0.5
97.02890	1.1
101.06013	0.6
107.04945	1.4
109.02881	1.3
115.03922	0.4
117.03375	6.4
119.04945	3.0
122.07501	0.3
124.45490	0.3
127.03917	0.6
129.05528	0.3
133.04958	0.5
133.06499	0.5
135.04413	12.5
136.04892	0.3
145.02850	9.9
147.04410	15.4
148.04684	0.4
149.11740	1.0
150.12059	0.8
163.03900	100.0
164.04268	1.9
165.05435	0.6
177.05530	0.5
181.04996	2.6
293.14606	0.3
299.11356	0.5
307.08151	2.5
309.09836	0.4
325.09155	5.2
461.15375	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00011	0.3
55.05516	0.3
57.03438	0.3
60.93058	0.3
69.03419	1.2
69.31761	1.8
71.04974	0.5
73.02905	0.3
79.05485	0.9
81.03413	0.7
83.04967	1.1
85.02898	1.9
86.03254	0.4
86.09722	0.5
87.04417	0.4
89.03922	3.7
95.04983	0.5
97.02892	0.9
101.06020	2.5
105.07006	0.7
107.04946	1.3
109.02857	0.5
115.03894	0.4
117.03379	6.9
127.03901	0.4
132.17931	0.4
133.06477	3.0
135.04416	11.1
135.05458	0.6
145.02846	10.5
147.04427	1.2
147.07951	0.3
149.11700	0.9
151.03879	0.6
163.03896	100.0
164.04254	2.5
169.88754	0.3
181.04933	2.9
201.95711	0.3
203.07237	0.3
237.50368	0.3
267.08676	0.7
281.10117	0.9
299.11258	1.5
325.09177	1.2
329.15887	0.4
355.19955	0.4
416.09418	0.3
461.13412	0.7
461.19815	13.3
462.20453	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
57.03429	0.4
58.77116	0.3
69.03424	1.1
69.48785	1.5
79.05465	0.9
81.03423	3.0
85.02898	1.4
86.09695	0.7
89.03919	4.7
91.05453	1.7
97.02860	0.9
98.23466	0.4
99.04438	0.4
101.06032	0.5
105.06955	0.3
107.04944	1.4
109.02892	0.8
117.03379	6.8
119.04958	5.5
127.03890	0.8
133.04922	0.3
133.06526	2.3
135.04416	11.5
145.02844	10.7
147.04407	26.9
148.04756	0.6
153.05510	0.4
163.03900	100.0
164.04195	2.1
165.05481	1.3
168.32867	0.4
181.04958	3.0
225.75507	0.3
244.49821	0.4
291.08640	0.5
307.08130	2.6
309.09665	1.1
325.09195	4.4
401.15759	0.4
461.19229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2146
Annotation	Trp Gln Gln
Peak:m/z	Relative Intensity
53.96112	0.5
55.05503	1.1
57.07069	1.0
67.05507	1.2
69.03442	0.5
69.07078	1.0
69.85885	0.8
69.86215	0.9
79.05511	1.2
81.07061	2.9
83.08624	0.5
88.60888	0.5
91.05457	1.0
93.07044	1.1
95.08630	1.8
96.51158	0.5
98.23388	1.1
105.07024	1.1
107.08599	1.8
109.10166	1.9
119.08608	1.6
121.06576	0.7
121.10069	0.8
123.08002	0.5
123.11713	0.7
131.08476	0.5
133.10124	1.1
137.09586	0.6
145.10143	0.6
159.11732	0.7
165.09105	7.7
201.73798	0.5
205.12285	0.7
211.94804	0.6
217.04837	0.6
232.14391	0.5
235.13051	0.7
248.52484	0.5
249.07347	1.1
280.71866	0.5
311.61392	0.5
359.14658	1.1
404.55463	0.6
429.18884	7.8
443.20670	3.5
443.35373	1.2
461.21429	100.0
462.21680	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	461.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	4.3
69.95096	2.7
69.95419	5.6
72.63151	2.2
72.63650	2.2
74.49020	2.5
80.94305	2.1
81.07055	2.5
83.04967	2.4
87.98052	2.8
91.05447	2.2
93.07054	2.8
95.08607	5.7
98.22729	3.7
103.99254	2.6
105.07049	3.9
112.72508	2.5
131.08574	2.6
150.66684	2.7
151.26462	2.6
203.69165	2.3
229.07452	4.4
307.12140	3.6
425.20029	5.4
443.20868	12.4
461.22757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18003	2.2
54.63618	2.1
55.05516	2.9
67.05500	3.1
69.07091	3.4
81.03433	2.5
81.07067	5.5
93.07035	3.2
95.08630	5.5
102.54227	1.9
105.07065	2.4
107.08618	3.8
130.15022	2.3
136.29588	2.2
143.04712	4.7
165.09111	3.6
195.09940	64.9
244.14249	4.0
247.57755	2.4
272.13834	100.0
273.14459	5.6
289.14087	8.4
301.14117	35.8
302.14490	2.9
349.23691	2.7
371.15094	6.0
381.45917	2.3
389.15939	4.2
443.24069	8.1
448.59702	2.5
461.25073	49.0
462.25253	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	462.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03432	1.6
60.04517	0.3
60.61293	0.3
69.03426	5.0
69.99927	0.6
70.00286	0.4
73.02919	0.5
73.04742	0.4
77.03915	0.5
79.05486	2.0
81.03416	0.5
85.02911	3.9
87.04458	3.9
92.12500	0.3
95.04971	1.0
97.02896	2.9
97.77516	0.2
102.76205	0.3
103.05480	1.6
103.06013	0.3
105.03383	0.9
105.05535	0.9
105.07026	19.4
107.04946	0.9
109.02831	0.3
115.03934	3.7
115.05438	0.8
123.04446	0.6
131.04944	0.4
133.02881	2.2
133.05064	3.8
133.06482	100.0
134.06870	1.5
145.04971	0.4
147.04393	0.5
150.07596	1.4
163.03925	0.8
164.04311	0.3
179.03368	2.5
265.07135	1.0
265.10455	0.4
265.14423	1.4
283.08075	1.0
323.07593	0.3
402.43460	0.3
421.16229	0.4
463.15573	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83419	0.2
53.67074	0.2
55.01864	0.8
57.03434	2.4
59.05001	0.2
60.04512	0.3
61.02913	0.5
69.03432	3.9
70.34859	0.5
73.02915	2.8
73.04731	0.4
79.05494	2.7
81.03425	0.4
85.02904	3.3
87.04472	2.0
89.03898	0.3
91.05451	0.5
95.04965	0.6
97.02895	3.3
98.22773	0.2
98.97575	0.3
103.05456	2.0
105.07029	24.6
106.07365	0.5
107.04961	0.9
109.02847	0.4
112.15746	0.2
115.03931	3.8
115.05437	1.5
127.03937	0.7
131.04927	0.5
133.04900	2.6
133.06487	100.0
134.06818	1.9
135.04401	0.3
135.08076	0.5
136.26619	0.2
143.06039	0.4
145.02782	0.3
145.04993	0.6
147.04411	1.1
150.07600	1.4
151.07576	1.2
161.06000	1.3
163.03893	3.5
164.04240	1.6
193.08601	1.0
205.04723	0.8
205.45885	0.3
219.01717	0.2
237.02986	0.3
283.15320	0.3
300.21649	0.5
303.07339	0.4
325.08978	0.3
328.80768	0.2
359.02734	0.5
403.12927	0.7
427.49377	0.2
429.09421	0.3
462.13760	0.4
462.20172	3.0
463.15607	1.8
481.11993	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
57.03437	1.9
59.05000	0.3
64.10695	0.2
65.74798	0.2
69.03428	5.1
69.80454	0.9
70.32376	0.2
72.20798	0.2
73.02916	1.0
73.04755	0.3
79.05500	2.0
81.03415	0.3
85.02899	3.5
86.69321	0.2
87.04469	3.0
95.04955	0.7
95.08722	0.3
97.02888	3.8
99.04416	0.3
103.05480	1.2
105.07029	19.8
107.04955	0.5
115.03936	4.5
115.05476	0.7
117.03342	0.3
127.03912	0.4
133.05070	4.2
133.06488	100.0
134.06836	1.5
135.08070	0.7
145.02837	0.6
145.04932	0.5
147.04395	0.3
147.08012	0.3
150.07622	2.5
158.56615	0.3
175.07599	0.5
177.05447	1.7
198.52669	0.2
203.63042	0.3
215.19402	0.2
225.25989	0.2
247.13245	0.8
265.14322	3.7
385.48126	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	462.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13936	0.3
53.03935	0.5
55.01858	0.7
56.92280	0.3
57.03448	2.0
59.05000	0.3
61.02915	0.5
69.03439	2.9
69.36646	0.4
69.36977	1.4
70.06593	0.6
73.02917	2.7
73.04741	0.4
77.03934	0.3
77.77501	0.3
79.05492	2.6
81.03410	0.6
81.07056	0.3
85.02912	3.3
87.04449	1.9
91.05460	0.5
95.04955	1.0
97.02888	3.0
98.22689	0.5
98.97585	0.4
103.05460	1.8
105.04490	0.4
105.07028	20.6
106.06582	0.3
107.04941	1.1
109.02877	0.4
115.03936	3.1
115.05440	1.0
117.03345	0.6
121.06489	0.3
127.03903	1.0
131.04877	0.6
131.08524	0.3
133.05077	2.7
133.06487	100.0
134.06828	1.5
135.04398	1.8
135.08044	0.5
145.02855	0.8
145.04974	0.8
146.03201	0.5
147.04391	1.2
150.07620	1.9
151.07570	1.8
161.05994	0.9
163.03900	11.3
164.04245	3.1
167.05554	0.5
181.04970	0.3
193.08612	0.9
205.04691	0.4
234.28366	0.4
278.99005	0.4
300.12384	0.5
300.21658	0.5
325.09387	0.4
359.02902	0.6
403.12726	0.4
462.20374	4.1
463.15860	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.01859	0.2
55.05513	0.3
57.03439	1.5
60.04523	0.3
61.02917	0.4
66.76156	0.2
67.05492	0.3
69.03428	3.8
70.21674	0.4
73.02908	1.5
73.04745	0.2
79.05506	0.5
81.07048	0.5
85.02901	3.0
86.09693	0.2
87.04467	2.4
91.05471	2.0
93.07035	0.6
95.04912	0.2
95.08627	0.5
97.02888	3.0
99.04454	0.2
103.05511	0.3
105.07029	7.2
106.98930	0.2
107.08582	0.6
109.02850	0.3
115.03926	4.7
115.05406	0.6
117.07043	0.6
118.07822	0.6
119.08611	0.2
122.09708	0.2
127.03915	0.6
131.08569	2.8
133.04980	3.8
133.10127	100.0
133.32361	0.2
134.10451	2.3
135.11714	0.4
137.06027	0.3
140.10710	0.6
145.04921	0.6
145.10098	0.6
147.11684	3.4
150.07629	1.2
150.12645	0.3
152.77997	0.2
159.11710	0.6
161.09598	0.3
166.82974	0.2
170.66057	0.2
171.11708	0.7
173.09688	0.2
173.13249	0.5
175.11198	2.8
183.11739	0.2
187.11201	0.7
199.11214	0.3
201.12772	0.7
210.14851	0.3
213.12822	0.2
217.12206	1.3
219.27458	0.2
229.12297	0.4
247.13287	1.7
258.05234	1.6
259.08191	0.2
259.13315	0.5
277.14359	0.3
286.04718	4.5
300.22073	0.2
301.07074	13.8
378.29434	0.3
389.80298	0.2
392.17682	0.2
408.31131	0.5
431.13962	0.2
462.17273	0.7
462.29242	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.01859	0.2
55.05513	0.3
57.03439	1.5
60.04523	0.3
61.02917	0.4
66.76156	0.2
67.05492	0.3
69.03428	3.8
70.21674	0.4
73.02908	1.5
73.04745	0.2
79.05506	0.5
81.07048	0.5
85.02901	3.0
86.09693	0.2
87.04467	2.4
91.05471	2.0
93.07035	0.6
95.04912	0.2
95.08627	0.5
97.02888	3.0
99.04454	0.2
103.05511	0.3
105.07029	7.2
106.98930	0.2
107.08582	0.6
109.02850	0.3
115.03926	4.7
115.05406	0.6
117.07043	0.6
118.07822	0.6
119.08611	0.2
122.09708	0.2
127.03915	0.6
131.08569	2.8
133.04980	3.8
133.10127	100.0
133.32361	0.2
134.10451	2.3
135.11714	0.4
137.06027	0.3
140.10710	0.6
145.04921	0.6
145.10098	0.6
147.11684	3.4
150.07629	1.2
150.12645	0.3
152.77997	0.2
159.11710	0.6
161.09598	0.3
166.82974	0.2
170.66057	0.2
171.11708	0.7
173.09688	0.2
173.13249	0.5
175.11198	2.8
183.11739	0.2
187.11201	0.7
199.11214	0.3
201.12772	0.7
210.14851	0.3
213.12822	0.2
217.12206	1.3
219.27458	0.2
229.12297	0.4
247.13287	1.7
258.05234	1.6
259.08191	0.2
259.13315	0.5
277.14359	0.3
286.04718	4.5
300.22073	0.2
301.07074	13.8
378.29434	0.3
389.80298	0.2
392.17682	0.2
408.31131	0.5
431.13962	0.2
462.17273	0.7
462.29242	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1233
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
51.61208	0.1
69.14037	0.5
69.14436	0.2
74.10563	0.1
85.02901	0.1
107.51204	0.1
141.95074	0.1
153.01848	0.4
164.16481	0.1
174.18556	0.1
229.04880	0.2
257.04514	0.2
258.05212	13.4
259.05573	0.4
286.04678	36.3
287.04993	1.1
301.07028	100.0
302.07367	3.6
414.70013	0.1
427.04407	0.1
463.12427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97077	0.1
69.29205	0.3
69.29582	0.2
100.43260	0.1
149.05981	0.2
153.01825	0.4
153.02919	0.1
156.80890	0.1
171.29005	0.1
229.05045	0.3
257.04562	0.1
258.05234	16.1
259.05704	0.5
286.04703	40.5
287.05038	1.1
288.53644	0.1
301.07053	100.0
302.03928	0.1
302.07379	2.9
435.63925	0.1
463.12402	1.0
470.82129	0.1
474.45624	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	463.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91553	1.1
55.01846	1.4
55.33992	1.2
57.03435	21.7
57.07070	1.8
59.05001	6.4
60.30831	1.3
67.05503	7.0
69.03427	87.6
69.07066	58.2
70.96404	2.2
71.04992	1.7
73.02888	1.6
79.05489	2.8
81.03419	3.9
81.07050	20.8
83.04945	1.8
85.02905	54.2
87.04465	57.6
91.05449	2.0
93.07034	2.5
95.04964	1.8
95.08614	7.0
97.02889	92.0
98.03188	1.3
99.04462	2.2
103.03954	2.0
107.08587	3.7
109.10143	9.1
115.03928	89.2
121.06493	1.4
121.10132	2.9
123.04382	1.3
123.11702	61.8
127.03938	5.6
127.07491	1.3
133.04961	100.0
133.10178	1.9
137.06000	2.4
139.03864	1.8
145.04970	5.6
145.10103	1.4
147.11661	2.2
151.11177	44.1
153.01854	5.9
159.11589	2.1
168.53360	1.3
169.05002	2.4
169.12265	3.5
173.13286	1.5
201.12668	2.0
219.13818	1.7
220.54242	1.5
227.07021	1.7
227.87097	1.5
241.07074	1.5
247.13284	6.1
258.05298	4.4
259.08139	4.6
265.14459	2.5
277.09106	3.1
283.15497	4.4
286.04691	9.8
295.10129	1.4
301.07047	30.8
421.16910	1.4
432.58337	1.4
463.17532	5.9
463.28558	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	463.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02781	0.3
56.96564	17.8
57.18465	0.3
69.21106	1.7
71.95258	0.7
72.95999	0.8
74.97587	0.3
88.81119	0.3
97.95504	0.3
97.96778	0.4
110.97564	0.5
111.30769	0.3
114.42921	0.3
115.00647	0.7
119.01699	0.4
127.00594	0.4
128.98532	0.3
129.02242	0.4
137.02731	0.9
141.02225	0.9
143.03745	0.4
151.04269	0.4
153.01939	0.9
155.03746	0.8
159.03354	0.4
161.04918	0.3
167.03690	0.3
169.05334	0.5
171.03304	0.6
173.04836	0.6
179.07607	0.3
181.05400	0.4
185.04822	0.9
187.06421	1.1
195.06905	2.8
197.08452	0.5
199.06435	2.6
203.05911	0.5
207.06917	1.2
213.07977	24.2
214.08336	0.4
217.07475	2.1
221.08472	1.1
223.10097	0.7
225.07965	5.4
225.11537	0.7
231.09027	17.5
232.09312	0.6
233.08395	0.5
236.09486	0.4
239.09575	4.5
241.11118	0.6
243.09030	2.9
244.31848	0.3
251.09477	13.6
254.10641	0.6
257.10556	1.9
269.10590	100.0
270.10892	2.4
287.11649	54.6
288.11935	1.3
292.12192	6.7
293.12451	0.5
301.07062	0.9
305.10196	0.3
310.13171	1.7
366.56393	0.3
403.17596	0.5
463.23657	49.4
464.23932	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	463.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69938	2.1
55.05508	10.7
56.96552	4.3
57.03431	6.8
67.05505	25.3
69.07071	10.4
69.37539	4.1
69.37932	7.1
71.08635	29.9
77.41838	2.2
79.03376	2.3
79.05479	22.7
81.03442	3.6
81.07056	31.9
83.04987	4.5
83.08627	5.4
91.05456	17.3
91.38890	3.1
93.07047	33.8
95.04942	5.8
95.08593	19.9
97.06517	2.4
98.22688	5.2
99.08094	21.6
105.07023	13.5
107.04901	3.9
107.08582	19.9
109.10162	11.0
112.99992	23.8
117.29119	2.3
119.08594	9.1
121.10115	16.7
122.09390	2.6
127.11130	2.3
131.08577	4.7
133.10172	6.6
135.11700	17.4
135.23676	2.4
145.10182	2.8
147.11725	2.4
149.13263	5.0
151.11221	10.6
161.13307	7.5
163.11206	3.9
169.02684	6.1
179.14304	56.6
189.12575	2.4
193.46400	2.2
235.16882	3.3
259.20587	4.6
269.10583	7.1
277.21625	42.6
286.04678	2.9
292.12274	2.8
301.07098	12.1
351.25278	100.0
352.25778	3.8
463.25723	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	463.3031
Annotation	Ranmogenin A
Peak:m/z	Relative Intensity
62.83571	0.5
67.05447	0.8
69.27263	2.0
79.05414	1.0
81.06989	0.9
90.18873	0.5
93.06970	1.2
95.30743	0.5
102.56923	0.6
112.99931	1.2
113.47424	0.5
132.15718	0.6
190.26027	0.5
232.92783	0.7
301.07028	0.9
335.25928	3.8
352.20746	0.5
445.29266	78.6
446.29590	3.9
463.30325	100.0
464.30850	4.3
482.53470	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76139	0.6
55.05510	2.9
57.07051	2.1
59.28540	0.5
64.56121	0.6
67.05503	3.5
69.07074	6.3
69.90174	1.5
71.08602	2.0
79.05499	2.8
81.07050	8.2
81.82381	0.5
83.04956	0.8
83.08593	2.2
85.06526	1.5
86.82568	0.6
91.05462	2.0
93.07034	4.7
94.47399	0.7
95.04953	0.6
95.08083	0.8
95.08609	6.8
97.06531	0.9
97.10155	1.2
99.08082	1.2
100.93282	0.5
105.07005	1.9
107.08582	4.2
109.06511	12.9
109.10142	3.7
111.08060	1.6
113.02348	0.9
119.08568	3.1
121.10138	4.0
122.07253	0.7
123.08066	60.2
123.11695	1.1
124.08601	0.7
125.09651	0.8
131.08528	0.9
133.10075	3.5
135.08107	1.7
135.11653	1.9
137.09625	2.4
137.13228	0.8
145.10104	0.9
147.11714	1.5
149.09624	1.1
149.13206	1.3
151.14771	0.6
159.11691	1.1
161.13219	1.1
165.12753	4.2
167.14320	1.2
173.13246	0.8
179.14299	100.0
180.15048	7.2
193.15849	1.8
233.19005	2.0
247.13132	1.3
275.20059	1.9
286.04861	0.7
289.25366	0.6
293.21088	38.7
294.21436	2.0
301.07095	2.4
330.61758	0.7
331.26163	3.0
349.27359	72.1
350.28067	15.3
351.28873	13.5
445.29419	3.5
463.30518	49.2
464.30927	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70662	0.9
55.05512	3.4
57.07082	3.3
59.12838	1.1
67.05502	5.7
69.07079	4.7
79.05495	3.1
81.07056	6.8
83.08644	2.9
91.05473	2.2
93.07035	6.3
95.08626	6.0
97.10187	1.2
105.07003	1.3
107.08609	4.6
109.06519	12.6
109.10162	2.2
113.02332	1.5
119.08610	3.1
121.10162	3.2
123.08069	51.5
123.11710	1.7
131.08621	1.5
133.10179	2.6
135.08090	1.4
137.09615	3.2
137.97765	1.1
147.11670	1.3
149.13264	2.2
161.13284	1.3
165.09248	1.0
165.12762	1.4
170.79211	1.1
179.14307	100.0
180.14738	3.2
181.42395	1.0
187.03470	1.2
200.84590	1.2
275.20041	1.9
293.21118	32.0
294.21707	3.7
301.07101	5.0
349.27371	83.1
350.28049	12.0
351.28937	16.7
385.19440	1.0
401.80225	1.3
445.29349	4.7
463.30466	34.8
464.30902	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3785
Annotation	CHEBI:70526
Peak:m/z	Relative Intensity
55.05502	31.6
57.07076	33.9
67.05509	31.3
67.06445	9.6
69.07058	44.5
71.08627	39.8
76.69104	10.3
79.05481	29.8
81.07079	53.0
83.08604	21.5
85.10201	15.1
91.05471	19.6
93.07052	24.2
95.08608	87.5
97.10152	31.7
101.48833	13.8
105.07028	49.7
107.08585	43.7
109.10140	36.5
111.11765	12.8
117.06989	10.4
119.08571	24.3
121.10143	38.2
123.11735	15.6
131.08586	35.2
133.10132	25.6
135.11678	31.9
137.13327	16.5
145.10083	39.3
147.11697	32.2
149.13298	19.2
157.10152	13.3
159.11678	31.6
161.13303	18.7
171.11682	11.5
189.16428	15.8
199.14848	11.1
213.16438	13.1
227.17841	19.2
231.13869	11.6
245.79185	10.4
247.24356	12.6
273.18649	13.8
301.06992	13.6
337.92743	10.4
341.32111	15.2
343.26154	10.8
343.33633	33.7
367.33524	14.9
385.34427	11.6
427.35895	83.8
428.36032	13.2
445.36823	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3787
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.03934	2.1
53.76107	1.7
55.01863	2.0
55.05511	42.8
57.07075	14.8
62.76118	1.7
67.05505	25.7
67.30646	1.7
68.17278	1.6
69.03442	1.7
69.06709	3.4
69.07068	61.1
69.13513	8.9
69.13931	2.8
71.08630	10.7
79.05492	16.5
81.07050	55.9
81.36317	1.6
83.04971	4.8
83.08620	38.6
85.06557	12.3
85.10175	6.2
91.05473	13.8
93.07041	33.3
95.04961	3.9
95.08605	54.8
95.09222	2.9
97.06548	8.8
97.10161	21.6
98.22692	4.1
99.08097	1.9
104.92126	1.5
105.07027	27.6
107.08595	35.1
109.06514	4.2
109.10152	39.2
111.08088	3.4
111.11703	9.8
115.03961	2.2
115.78796	1.6
117.07020	5.4
119.08566	26.9
121.06514	2.5
121.10149	30.3
122.03177	1.6
123.11704	17.2
125.05979	3.7
127.07578	2.7
131.08568	15.8
133.10123	23.7
135.08046	3.1
135.11693	21.0
137.09616	3.8
137.13268	10.3
139.07555	2.9
139.11189	1.8
139.14781	2.5
143.07027	39.2
143.08591	4.0
145.10110	18.5
147.11687	26.6
149.09630	2.4
149.13243	14.8
151.07512	1.9
151.14796	5.8
153.09097	2.6
157.10092	4.4
159.11685	14.6
161.09715	2.5
161.13261	15.8
163.14796	8.3
165.09126	7.9
165.16324	2.3
166.09476	6.2
171.11693	4.6
173.13242	10.7
175.11176	2.8
175.14830	8.3
177.16339	3.4
179.10564	2.8
183.11678	2.1
185.13281	4.9
187.14847	8.7
189.12643	1.8
189.16399	6.9
191.17952	2.7
193.12254	5.1
199.14798	3.6
201.16367	9.2
203.17955	4.3
207.13826	5.2
213.16446	2.3
215.17894	2.2
217.19487	2.9
219.13919	2.4
227.18007	2.0
229.19554	3.3
233.15402	3.7
243.21150	2.1
247.16902	3.6
251.12457	3.1
258.05276	4.9
261.18408	5.0
269.10535	2.6
269.18906	2.1
286.04745	10.5
287.20126	4.0
289.21667	5.5
301.07050	30.3
305.21259	3.1
315.23270	3.9
317.24854	2.2
329.24619	4.9
333.24161	3.7
341.31790	2.6
343.33682	2.4
345.31503	3.7
355.81888	2.2
367.07846	1.9
367.33688	2.3
401.33771	8.5
403.35751	3.8
419.34988	5.9
427.35672	14.5
445.36749	100.0
446.36795	3.2
463.18991	6.4
463.26553	7.1
463.37790	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	464.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29557	0.4
59.64740	0.5
69.03424	1.0
69.43180	2.1
69.89322	0.5
78.03452	0.7
79.05495	0.8
81.03422	2.5
85.02903	1.9
89.03925	3.4
90.60521	0.5
97.02892	1.2
105.07027	1.4
106.02901	1.5
106.07407	0.6
107.04927	0.9
109.02888	1.1
117.03367	4.5
122.07161	1.6
124.03947	1.9
133.06470	3.5
134.06854	1.6
135.04414	11.4
135.07126	0.6
137.05951	1.3
140.08260	0.5
145.02840	9.7
147.04332	0.5
163.03905	100.0
164.04242	2.2
181.04944	4.6
196.16141	0.5
250.07260	0.6
267.08685	0.6
268.08414	0.5
285.09708	1.9
307.08160	3.0
310.80756	0.5
322.24829	0.5
325.09177	7.2
336.10736	0.5
376.32764	0.5
464.16562	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	464.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.9
55.01886	3.2
57.03425	5.3
60.31615	3.0
61.02926	4.3
67.05486	3.3
69.03434	26.0
69.07220	14.1
69.07632	6.6
70.06546	3.8
71.04996	8.2
73.02923	6.4
77.26247	2.8
79.05484	10.6
81.03413	7.5
85.02901	37.5
86.13673	3.6
87.04459	11.5
89.06020	3.3
91.05476	15.3
93.07051	7.3
95.04977	26.5
95.08627	4.5
97.02887	24.2
98.23488	8.4
99.04454	4.0
100.33167	3.6
105.07024	22.6
107.04952	17.5
109.06525	5.3
115.03941	28.5
117.07040	7.3
119.08578	8.8
121.06522	8.7
123.04419	21.0
123.08082	3.5
125.02348	10.0
127.03952	10.0
129.07007	13.0
131.08569	5.7
133.02837	6.8
133.04974	29.0
133.06483	40.8
134.06856	12.3
135.04420	11.3
135.08041	7.9
137.05957	3.2
145.04980	9.7
145.06413	4.6
147.06937	4.3
147.08038	20.9
149.05977	8.0
150.07721	3.1
150.14806	3.2
151.03903	51.8
151.07497	6.0
153.05472	21.1
157.06503	10.4
159.04448	7.6
159.08006	5.9
161.02374	5.5
163.03906	7.4
163.06056	3.9
169.05006	11.8
175.07567	19.4
177.05472	10.1
177.09111	4.7
185.05995	6.1
193.08578	5.1
197.04459	7.0
203.07036	17.2
213.05478	4.7
219.10159	6.3
221.08147	19.2
231.06480	3.5
231.10184	4.0
239.09158	13.6
249.07603	16.8
249.11214	4.3
261.11423	3.8
267.08646	57.0
267.11905	4.3
268.08646	3.7
285.09698	100.0
320.36548	3.3
394.59616	3.2
404.13010	6.9
447.14978	4.3
464.16046	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	464.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01870	2.0
57.03441	4.5
61.02926	7.2
68.97121	0.5
69.03062	1.0
69.03428	15.3
69.03802	0.9
70.96596	0.8
71.01370	0.6
71.04986	1.9
72.19681	0.4
73.02920	4.3
81.03413	6.5
85.02904	100.0
86.03248	1.0
87.04471	1.5
91.03959	5.6
97.02894	25.2
99.04456	4.7
101.02349	0.5
103.03927	1.2
104.75634	0.6
105.03452	0.7
105.07033	7.7
106.06574	1.2
108.39849	0.5
109.02876	8.9
115.03932	1.2
117.05652	0.6
117.07029	0.7
127.03919	26.2
128.04248	0.6
131.04884	0.6
135.04399	1.0
145.04958	51.4
146.05305	0.7
147.04381	0.6
147.08066	0.9
163.06013	26.4
164.06386	0.5
181.07124	0.5
189.09084	0.6
231.10185	1.0
243.08836	0.8
249.11201	1.3
267.08621	0.6
267.12018	0.6
285.13327	4.8
325.11246	2.2
378.15146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
54.99137	1.9
55.01862	4.0
57.03428	6.3
61.02917	1.9
62.06080	6.1
65.73709	1.6
69.03427	5.1
69.69634	4.7
71.04986	1.8
75.47408	1.4
79.05489	4.6
85.02900	11.2
89.06026	2.1
90.93588	1.6
91.05474	11.3
93.07050	3.6
95.04972	4.3
97.02893	5.5
98.23446	2.0
99.04448	2.0
103.05486	2.8
105.03358	3.7
105.07028	37.4
107.04953	9.9
109.06503	5.5
115.05446	2.2
118.04188	2.0
119.04941	19.0
121.06506	7.6
123.04454	2.0
123.08049	3.4
125.05980	2.4
127.03935	2.7
133.06482	19.0
134.03635	3.2
135.04410	6.3
135.08078	2.7
136.05176	4.6
137.06039	3.6
140.04657	5.1
143.06061	1.9
145.04919	3.1
147.04399	6.6
149.05972	16.8
151.07556	14.2
153.05463	51.4
159.06570	2.5
161.05968	47.0
162.06490	2.2
163.03899	2.6
167.07051	14.4
168.07808	67.6
169.08415	2.6
170.11755	6.0
177.05478	3.9
178.06279	9.1
179.07086	8.2
181.08578	4.8
181.92700	1.8
191.07053	2.0
193.08597	75.4
194.08946	1.8
196.07297	59.8
197.07559	1.6
209.08116	9.9
210.41501	1.7
211.09642	100.0
212.09886	2.7
224.21252	1.6
249.11057	3.5
267.12338	12.2
285.10110	3.8
285.13321	75.8
286.13647	1.9
303.13388	2.5
373.93573	1.8
393.24789	1.5
453.63678	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	464.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52082	0.1
52.73669	0.1
54.39296	0.1
54.42384	0.1
55.05497	0.3
56.05030	0.5
57.03423	0.2
58.06627	0.4
59.07378	0.2
60.08157	6.4
63.07352	0.1
67.05503	0.6
69.03416	0.2
69.07059	0.2
70.06573	0.1
71.07366	2.6
73.02905	0.2
73.78382	0.1
79.05477	0.8
81.03403	0.1
81.07044	0.5
83.04976	0.2
85.02893	0.2
86.09697	29.8
87.04440	0.1
87.10020	0.2
91.05466	0.5
93.07024	1.0
95.04962	0.2
95.08604	0.3
97.02854	0.2
98.23441	0.2
98.98446	2.5
104.10734	3.2
105.07017	0.3
107.08575	0.8
109.10168	0.1
115.03902	0.2
118.36683	0.1
119.08569	0.2
121.10096	0.1
124.99990	20.7
126.00319	0.1
129.06979	0.1
133.04947	0.2
133.10103	0.1
135.11714	0.4
137.05998	0.1
143.01073	0.1
145.04941	0.1
153.01793	0.1
163.01468	0.1
184.07321	100.0
185.07675	1.0
258.11002	0.2
265.05185	0.1
281.17575	0.1
297.07495	0.1
301.06897	0.1
302.07343	0.3
446.22955	1.1
464.24045	6.1
465.24051	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	464.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.0
53.03933	1.7
55.01875	1.8
55.05509	2.5
57.03171	1.3
57.03430	12.8
57.07066	1.3
59.04993	3.2
60.04511	1.5
61.02909	2.6
67.05499	3.2
69.03425	43.4
69.07064	3.5
70.40920	1.3
71.01345	1.1
71.04989	2.9
73.02912	9.2
75.04468	1.5
77.03915	1.8
79.05487	26.8
79.05947	1.4
81.03409	2.5
81.07054	7.1
83.04982	1.4
83.08603	2.7
85.02899	42.1
85.06542	4.6
86.03210	0.8
87.04462	30.9
91.03961	2.2
91.05470	17.2
93.07039	100.0
94.07384	1.0
95.04970	9.7
95.08598	7.4
97.02885	37.6
97.06510	1.6
99.04456	2.0
100.11296	0.8
103.03957	1.4
105.04527	4.5
105.07016	7.3
107.04943	1.7
107.08584	30.3
109.02922	1.8
109.06517	1.9
109.10141	5.7
111.04453	1.4
115.03923	56.4
117.07021	2.2
117.37982	0.8
119.08566	3.1
121.06506	1.1
121.10103	2.0
123.08072	1.0
124.07504	0.8
127.03902	8.2
128.85812	0.7
129.07010	0.9
131.08588	1.8
133.04956	52.5
133.10124	8.7
134.10481	1.5
135.08109	1.4
135.11685	38.2
137.05963	1.5
137.09587	1.8
137.13226	4.0
139.11183	2.8
141.58463	0.7
143.08559	1.8
145.04944	9.9
145.10127	1.4
147.11690	3.3
149.13295	1.5
149.66623	0.7
150.07613	9.3
151.03998	1.0
151.11201	1.7
152.14343	2.9
153.12717	5.8
159.08069	1.3
159.11699	1.8
162.29646	0.7
163.06033	2.3
165.05489	1.0
165.09109	0.8
169.04977	1.2
171.11641	0.8
175.11214	2.3
177.12805	3.4
185.13312	1.0
193.12172	1.4
194.29570	0.7
201.12669	1.3
211.05898	0.8
213.12852	1.1
219.13817	1.0
223.05928	1.5
231.13826	2.8
241.07124	1.8
249.14893	3.5
258.05249	1.1
259.05664	1.3
259.08163	5.8
267.15912	8.1
277.09201	1.8
286.04739	1.0
287.05075	3.2
295.10110	4.5
297.16974	0.9
301.07001	5.4
302.07407	12.4
369.41400	0.7
464.26288	0.9
464.32672	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.01867	3.6
55.05508	17.0
57.03432	7.8
57.07072	2.0
57.17289	0.7
59.04990	1.7
61.02925	6.6
67.05504	3.2
69.03426	16.2
69.07056	4.1
70.06590	2.8
71.01347	2.7
71.04977	1.7
73.02914	42.2
77.03922	2.2
79.05489	23.1
81.03405	4.5
81.07055	3.8
82.06579	3.6
83.04978	2.5
83.08614	11.8
84.08154	1.6
85.02903	38.4
85.06536	1.4
87.04449	2.5
91.03963	1.2
91.05475	13.5
93.07041	85.4
95.04959	6.5
95.08614	4.4
97.02886	25.0
97.03487	1.6
97.06514	1.6
98.09705	1.3
99.04455	1.6
100.07628	4.1
100.11251	43.8
101.11568	1.6
103.03961	1.8
105.04486	2.9
105.06992	4.0
107.04976	0.8
107.08588	22.3
109.02898	4.4
109.10140	6.1
110.06036	3.5
111.04441	8.0
112.07604	1.8
115.03919	16.0
117.07009	1.3
117.12166	0.8
117.13940	0.8
119.08586	2.4
120.08116	1.5
121.10162	2.2
124.12115	0.9
126.09169	1.4
127.03909	15.0
127.04755	1.4
127.11276	0.9
128.06248	1.0
128.07048	5.0
129.07092	1.3
131.08557	1.2
132.06575	1.3
133.04971	17.3
133.10144	7.4
134.10493	1.7
135.04388	1.0
135.11685	32.7
137.05936	1.3
139.11163	1.8
140.07074	1.7
143.08527	1.5
145.04962	19.9
147.11710	2.1
150.07637	2.0
152.14342	2.3
153.01842	2.2
153.03711	0.9
153.12753	3.6
159.11687	1.3
161.13152	0.9
163.03961	1.9
163.06024	8.0
163.11232	0.9
166.96423	0.9
175.11241	1.3
177.05412	1.2
182.15401	19.8
183.15669	1.4
189.08931	0.8
199.06046	0.8
209.16470	5.3
210.14870	13.7
219.13818	1.3
223.06050	3.2
226.19199	2.0
227.17554	1.4
231.13708	1.6
241.07101	4.9
245.16516	1.0
249.14809	2.0
249.18423	1.1
258.05255	3.3
259.05615	3.2
259.08167	10.0
267.15833	4.2
277.09155	2.0
286.04764	4.4
286.07578	1.1
287.05048	10.6
295.10114	4.1
297.16885	1.3
301.07101	14.8
302.07391	35.4
303.04901	2.8
303.08417	3.1
323.16382	1.0
342.24524	2.9
342.74353	1.7
348.26248	2.0
360.35001	0.9
400.80304	12.7
401.30316	2.2
405.77783	1.9
406.27563	0.9
408.32043	1.5
435.33347	1.3
455.32922	28.4
455.83041	8.9
457.31680	1.2
458.29980	1.2
464.33392	100.0
464.83582	31.3
465.33313	1.3
474.34003	4.2
475.32755	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	464.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.6
53.03940	1.1
55.01862	1.5
55.05519	3.3
57.03445	4.0
57.07084	0.4
59.04995	0.7
60.08164	6.4
61.02927	2.9
65.03944	0.5
67.05510	2.1
68.07246	0.5
69.03427	6.6
69.07060	2.4
71.01341	0.9
71.04975	0.8
71.07373	2.6
72.08141	0.5
73.02918	16.2
77.03925	0.9
79.05489	8.9
81.03413	1.4
81.07066	2.9
82.25504	0.4
83.04978	1.0
85.02910	13.1
86.09709	32.3
87.04466	1.8
91.03968	0.6
91.05479	11.7
93.07047	43.0
94.07350	0.6
95.04972	5.0
95.08598	1.1
97.02893	10.0
97.06522	0.4
98.98471	2.7
99.04444	0.5
103.03980	0.6
103.05462	0.5
104.10747	2.9
105.04516	1.7
105.07021	4.3
107.04969	0.4
107.08595	45.1
108.08116	0.8
108.08897	0.8
109.02875	1.0
109.06529	2.2
109.10149	1.5
112.40957	0.4
115.03230	0.5
115.03951	6.0
117.06988	0.4
117.99467	0.5
119.06059	0.8
119.08584	1.8
121.10166	1.1
123.11727	0.5
125.00004	22.7
127.03924	4.5
131.04941	2.4
131.08569	0.7
133.04965	5.9
133.10123	1.2
135.11693	29.6
136.12044	0.7
137.09615	1.5
138.06308	0.5
138.09145	1.2
145.04956	4.3
145.10152	0.6
147.11697	0.6
149.05983	0.6
150.07626	1.3
150.09169	0.7
153.01819	0.7
153.12770	1.0
155.10736	0.4
159.30766	0.5
161.13220	0.4
163.06021	1.8
165.09114	0.6
184.07344	100.0
185.07767	0.9
201.11249	1.0
223.06009	0.7
241.07111	1.1
252.12422	0.5
259.05646	0.7
259.08249	1.3
267.15839	0.8
284.27023	0.4
286.04938	0.7
287.05020	1.4
296.06342	0.6
301.07126	0.8
302.07455	3.6
446.22879	1.1
464.24365	4.4
464.31232	1.0
489.29626	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01865	0.6
55.05500	1.7
57.03442	2.2
58.06600	0.6
59.04981	0.4
60.08160	5.6
61.02899	1.0
65.03942	0.5
66.00464	0.5
67.05484	1.5
68.19039	0.5
69.03427	3.6
69.07053	1.3
70.29861	0.4
71.04993	0.5
71.07378	2.1
73.02917	5.8
77.03893	0.6
79.05503	3.5
81.03394	0.5
81.07040	2.1
83.04969	0.7
83.56415	0.4
85.02464	0.6
85.02905	6.0
85.06531	0.4
86.09704	29.7
87.04445	1.2
87.10056	0.5
91.05467	5.4
93.07043	20.3
95.04977	2.5
95.08603	1.6
96.08895	0.6
96.64014	0.4
97.02892	5.3
98.98473	2.1
99.04430	0.4
103.05407	0.4
104.10751	2.8
105.07016	1.7
107.08595	20.6
109.06513	0.6
109.10182	1.0
110.07819	0.4
110.32636	0.4
115.03944	2.8
119.06044	0.5
119.08567	1.2
121.10100	1.1
124.99998	19.8
127.03914	2.1
131.04942	0.8
133.04948	3.5
133.10098	0.8
135.11691	13.9
136.11995	0.6
145.04991	2.7
145.10130	0.7
147.11687	0.7
150.07623	1.0
151.03868	0.4
153.01814	1.3
163.06047	0.6
184.07336	100.0
185.07698	1.3
186.27260	0.4
236.53812	0.4
241.06944	0.5
250.51482	0.5
259.05582	0.7
259.08096	0.8
267.15970	0.5
267.19559	1.0
286.04642	0.7
287.05017	1.2
297.07516	1.4
301.07111	1.6
302.07480	3.5
413.93445	0.5
415.45050	0.5
446.22766	1.0
464.18314	0.4
464.24048	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	464.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79471	1.8
55.01870	6.3
55.05510	20.9
55.89174	1.9
57.03435	14.5
57.07066	7.6
67.05165	2.8
67.05506	38.6
69.07069	19.6
69.25600	6.8
69.26005	4.0
71.08618	3.9
73.02917	2.3
79.05503	19.4
81.07062	29.2
83.08612	14.4
91.05479	7.6
93.07036	18.9
93.99236	1.9
95.08614	23.7
97.06491	2.1
97.10176	7.0
98.98477	36.3
105.07027	6.1
107.08594	11.1
109.06470	2.3
109.10149	11.0
113.00017	34.7
119.08582	5.0
121.10168	10.7
129.05493	2.0
131.08531	3.6
133.10139	3.3
135.11687	6.3
136.99976	4.2
139.06891	2.4
147.11736	2.0
149.13307	3.0
155.01045	28.2
159.11682	2.0
161.13289	2.3
169.02612	14.1
173.13329	2.2
174.36876	2.0
187.03600	3.1
237.22144	4.3
243.21207	3.5
261.22122	4.4
276.09708	2.1
311.25800	57.1
335.25806	100.0
336.26208	3.8
446.29523	26.7
447.24930	8.9
464.30743	46.8
465.31207	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1184
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
51.51429	0.5
67.05492	0.7
69.07071	1.0
69.12094	3.4
75.82113	0.5
77.80885	0.5
79.05492	1.1
81.07055	1.7
83.08594	0.8
91.05488	2.3
93.07047	0.6
93.87532	0.5
95.08624	0.8
97.06474	0.5
102.04693	1.1
105.07045	1.4
107.04956	0.5
107.08619	1.1
109.10164	0.9
110.03647	1.1
119.04955	1.1
121.06519	0.9
121.10136	0.9
123.11739	0.5
130.04170	1.7
131.04944	0.5
135.04358	0.6
136.05211	1.3
137.05988	1.0
146.03653	2.7
147.04413	2.9
148.05171	4.0
153.01801	4.6
161.05951	2.8
162.06827	0.7
163.03935	0.7
164.04700	0.5
203.03351	4.8
229.04939	4.6
234.37308	0.5
241.04961	1.2
242.05719	11.9
242.08055	0.8
253.04907	2.7
257.04443	48.0
258.05222	16.6
259.05780	0.7
269.04431	1.7
270.05157	5.1
271.05972	1.4
283.06070	0.6
285.03946	5.8
286.04706	29.7
287.05469	16.1
297.03918	5.8
299.05554	2.0
327.05029	1.5
341.06580	1.7
355.39307	0.6
359.09131	0.8
371.86392	0.5
373.06998	0.7
375.08545	0.6
387.08624	0.7
389.06363	0.7
403.08060	1.1
415.07925	0.6
432.08136	2.7
435.10764	4.7
446.36951	0.7
446.55643	0.4
447.10760	15.3
448.11761	0.5
465.11798	100.0
466.12253	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	465.1396
Annotation	Homoeriodictyolchalcone 2'-glucoside
Peak:m/z	Relative Intensity
55.01888	0.2
55.62946	0.2
62.86475	0.2
65.03957	0.2
67.01866	1.9
68.99784	1.6
69.03422	0.9
69.47649	0.8
73.68910	0.2
81.03416	0.4
83.01326	0.3
85.02913	1.1
89.03922	4.0
91.05470	0.3
93.03384	0.4
95.04989	0.3
97.02872	0.8
103.05452	0.2
106.04141	0.3
111.00803	1.4
111.04447	0.3
117.03380	4.8
119.04919	0.5
121.06535	0.4
123.04459	1.1
125.06036	1.1
127.03925	0.3
129.01831	0.4
131.04906	0.3
134.03648	1.0
135.04433	2.0
137.05975	2.7
145.02846	4.5
145.05022	0.2
145.06418	0.2
149.05977	4.6
151.03925	1.1
151.07518	1.8
153.01822	69.7
154.02145	1.1
159.04405	0.2
162.03151	0.4
163.03909	7.2
165.01834	0.5
166.02617	0.3
171.02870	4.5
175.07552	0.5
177.05467	44.7
178.05826	1.1
179.03387	8.1
187.49670	0.2
191.06993	0.2
195.02939	0.7
201.05428	1.2
202.49211	0.3
215.07065	0.4
219.02921	0.2
219.06567	1.0
237.07634	0.2
243.06590	0.3
261.07611	0.6
285.07568	1.4
287.05432	0.4
303.08618	100.0
304.08960	3.4
315.08554	0.3
329.10056	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	465.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.0
53.31573	1.8
55.01875	1.9
55.05511	6.5
55.09969	2.0
57.03435	15.6
59.05004	4.3
61.02929	7.1
67.05507	7.8
69.03430	57.9
69.07076	4.5
69.27928	8.8
73.02930	5.5
77.03920	3.1
78.32484	1.7
79.05490	15.1
81.03416	5.1
81.07055	17.2
83.04993	5.2
83.83687	2.0
85.02908	48.9
86.03253	4.5
87.04469	34.6
87.04952	3.3
90.01431	1.8
91.03949	1.7
91.05479	24.1
93.07045	86.6
95.04970	10.3
95.08606	22.3
97.02898	42.4
97.06548	4.7
99.04452	2.2
105.04537	3.1
105.07040	14.6
107.08593	100.0
109.06520	5.0
109.10132	11.1
115.03936	45.2
117.07016	2.7
119.08582	6.5
121.06515	4.3
121.10139	15.1
123.08048	2.5
127.03918	10.2
131.08557	2.7
133.04961	52.4
133.10132	6.8
135.08073	3.1
135.11688	95.1
137.13251	3.5
143.08583	3.7
145.04970	10.3
147.11674	4.2
153.12730	24.9
157.10161	2.2
159.11728	4.6
163.06015	3.3
171.93126	2.0
175.11211	2.4
177.12767	7.0
185.08156	3.6
219.13818	2.6
231.13785	5.5
249.14804	6.0
259.08087	3.5
267.15997	5.8
287.40594	1.8
295.10165	3.3
355.70828	2.4
465.13440	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2333
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
53.03925	2.6
55.05504	7.5
57.03439	12.0
61.02926	5.5
67.05495	11.0
69.03429	45.6
69.07072	4.7
71.21430	2.5
77.03921	3.3
79.05499	18.5
81.03423	3.4
81.07060	15.2
83.04989	4.6
85.02905	39.8
87.04467	27.8
89.13042	2.5
91.03954	3.6
91.05474	26.1
93.07046	96.4
94.07381	2.6
95.04954	9.7
95.08597	17.9
96.13625	2.2
97.02902	37.5
97.06537	3.4
99.04453	2.4
105.04532	3.9
105.07027	16.0
107.08592	100.0
109.06509	4.0
109.10158	8.5
115.03931	45.6
119.06088	3.1
119.08562	7.9
121.06541	2.8
121.10139	8.0
127.03912	5.7
131.08545	2.9
133.04977	58.4
133.10110	6.1
135.08032	2.3
135.11693	75.9
137.13245	2.4
145.04979	9.5
145.10104	3.6
147.11682	4.2
153.12785	11.6
159.11740	3.9
160.61763	2.4
161.24625	2.3
163.06065	4.0
177.12747	7.8
201.12811	2.3
267.16006	3.9
295.10294	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	465.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89221	1.0
53.54013	1.1
55.01869	1.6
55.05509	3.8
57.03431	11.6
57.07074	2.6
59.04996	6.2
61.02921	3.4
64.47024	1.1
67.05498	4.4
69.03061	2.3
69.03428	37.3
69.07065	16.6
69.09824	6.4
71.04990	18.3
73.02915	2.0
73.06553	2.6
79.05498	6.7
81.03412	4.6
81.07053	21.0
83.04977	2.4
83.08611	4.2
85.02406	2.2
85.02904	38.2
86.09702	3.7
87.04465	20.6
91.05459	6.7
93.07043	22.1
95.04961	3.1
95.08610	14.8
96.24587	1.1
97.02890	28.4
97.03487	2.4
97.06526	3.9
99.04440	1.9
103.03931	1.5
105.07024	5.9
107.04954	1.5
107.08590	20.7
109.02890	2.8
109.06522	5.5
109.10126	8.1
111.04409	1.5
111.08046	1.8
115.03928	32.5
117.06962	1.9
119.08566	7.6
121.06496	2.6
121.10127	3.8
123.08047	3.2
123.11664	2.1
124.03957	2.8
125.00033	1.5
125.04356	1.5
125.13265	5.8
127.03871	6.5
128.06229	1.2
131.08560	3.6
133.03954	1.7
133.04958	34.3
133.06471	1.9
133.10141	2.8
135.11682	27.7
137.09578	2.3
137.13263	3.5
139.11212	2.0
143.08536	3.1
145.04948	6.8
145.10085	3.0
147.07990	2.7
147.11697	2.1
149.09608	2.2
151.11177	3.0
153.01807	5.1
153.12738	100.0
154.13062	2.6
155.14307	1.9
159.08009	2.1
159.11719	1.4
161.09628	2.8
163.03888	1.8
163.06033	2.2
163.11055	1.3
165.12749	4.4
169.04964	1.5
171.13794	2.5
173.09618	2.7
173.13174	1.2
175.07518	1.5
177.12776	3.6
184.07353	10.0
185.13307	1.1
189.12712	1.4
193.12407	1.2
195.13815	2.6
201.12627	1.3
219.13760	1.4
231.13760	3.6
237.14821	1.6
249.14911	4.0
257.04596	2.6
259.05994	3.9
261.14832	2.3
267.15976	3.5
277.09088	1.8
279.15839	1.2
285.03680	1.3
285.16895	5.6
287.05475	5.3
295.10251	1.3
297.16977	1.8
303.04886	2.6
315.18045	3.8
317.08450	1.3
465.13464	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	8.2
55.05266	1.5
55.05518	24.0
57.03438	9.6
57.07085	8.9
57.11489	0.8
67.05516	7.7
69.07071	28.1
69.35090	3.6
71.08641	5.9
73.02602	0.6
73.02930	6.1
78.27974	0.7
79.05503	5.0
81.07063	8.8
83.04970	0.8
83.08621	19.5
85.10188	2.4
93.07060	5.4
95.08608	6.1
97.06513	3.3
97.10168	14.7
98.23417	1.7
98.98474	73.2
107.08598	3.6
109.10149	2.7
111.08083	1.6
111.11726	3.4
116.89462	0.6
121.10134	7.2
123.11720	1.5
123.15767	0.7
125.13249	1.0
128.87617	0.7
129.05490	3.1
129.38591	0.8
135.11682	3.6
136.99991	3.6
137.13199	0.8
155.01045	58.3
193.02528	1.0
211.03650	2.0
219.21033	2.5
229.04643	3.5
237.22147	9.7
255.23006	1.1
284.13446	0.8
311.25812	100.0
312.26144	3.9
391.22333	0.9
447.25070	18.2
465.33325	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.6
55.37420	0.4
57.03423	1.0
59.04999	0.5
60.08152	1.0
61.02923	0.5
65.03900	0.4
67.05479	0.7
68.99796	1.7
69.03422	2.5
69.07038	0.4
69.29916	2.3
71.04979	1.0
72.08138	0.5
77.03917	1.5
79.05494	1.0
81.03416	0.8
81.07054	1.4
84.04517	0.4
84.08121	1.2
85.02898	8.3
86.09704	4.2
87.04466	0.5
91.03950	0.4
91.05458	0.9
93.07028	1.5
95.04956	1.0
95.08618	1.9
95.09142	0.4
97.02905	2.9
99.04432	0.5
104.10725	1.3
105.03374	3.0
105.07025	1.2
107.04969	2.0
107.08588	1.3
108.14297	0.4
109.02855	0.9
109.10141	0.5
111.00789	1.2
111.04440	0.5
119.04955	1.2
119.08601	0.5
120.08091	1.0
121.02854	0.6
121.06470	0.4
121.10108	0.7
122.78883	0.4
123.04431	1.1
123.08027	1.0
124.07597	1.0
124.99969	3.0
127.03888	2.0
131.04936	0.6
133.02850	14.7
133.04955	0.7
135.04420	1.8
135.08023	0.5
135.11703	0.9
136.07558	0.4
137.02362	1.1
137.06012	0.4
137.09595	0.6
138.09146	0.9
139.03905	1.3
145.04977	3.4
145.10115	0.4
147.04393	4.6
147.11652	0.5
149.05949	0.5
151.03905	2.1
152.10684	0.6
153.01817	61.6
154.02161	0.8
157.06485	0.7
159.04413	0.7
160.65266	0.4
161.02341	1.1
161.05873	0.9
163.03905	2.0
165.01859	0.8
171.02950	0.5
171.04358	0.9
173.05968	1.0
175.03865	2.6
177.05460	0.7
178.08592	0.8
179.03519	0.8
181.12189	0.5
184.07339	13.3
185.05980	1.3
189.05463	1.0
193.04932	0.7
196.09679	0.7
199.03842	2.4
201.05473	1.0
203.03331	2.4
203.07027	1.3
213.05429	3.3
216.04257	0.5
217.04956	5.4
227.03510	0.5
231.04443	0.7
231.06511	6.1
233.15262	0.4
241.04955	3.5
245.04433	8.3
251.16318	0.8
259.06012	20.4
260.06378	0.9
269.04413	3.5
269.17404	0.4
287.05478	100.0
288.05847	2.8
294.46811	0.4
304.05411	0.7
321.17911	0.6
406.23535	0.6
466.25540	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	466.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.7
57.03437	24.0
59.05008	5.8
60.04519	2.0
60.51725	1.7
61.02922	4.4
69.03433	79.1
71.01374	2.0
71.04992	11.4
71.34966	2.8
71.92864	2.1
73.02911	2.5
75.04489	2.5
81.03417	5.0
85.02906	75.7
85.03417	4.1
87.04470	55.7
97.02895	63.8
99.04453	2.3
107.04970	6.1
109.02875	5.1
111.04469	5.4
115.03120	4.0
115.03931	82.0
123.04434	6.3
127.03937	8.0
129.05473	6.9
133.03957	4.7
133.04970	100.0
135.04480	1.9
137.02338	43.2
137.06003	5.2
145.04945	9.7
147.06587	4.3
150.07631	18.2
154.10820	1.9
155.03383	69.8
163.06013	2.3
165.05525	2.4
169.04935	2.5
180.08665	3.3
185.62608	1.9
241.07062	3.6
259.08246	3.0
277.09244	3.6
287.11517	2.2
295.10101	2.1
466.13449	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	466.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54036	1.6
53.03960	2.2
55.01856	1.9
56.44351	1.9
57.03437	22.0
59.04989	6.4
61.02929	1.9
67.05524	1.9
69.03427	62.4
70.04085	3.1
73.02906	2.7
77.94116	1.7
81.03423	5.4
85.02902	53.0
87.04465	47.6
91.03965	2.8
91.05471	16.1
93.07043	1.7
94.39901	1.5
95.04953	1.8
97.02887	56.7
97.03486	3.4
98.23410	2.5
99.04442	1.6
105.07037	6.8
107.04967	6.0
115.03927	66.5
119.04968	8.9
123.04427	3.2
125.88896	1.6
127.03928	5.0
129.06992	3.7
131.04919	4.5
131.08601	2.3
133.04964	70.1
133.06541	4.8
137.05968	100.0
145.04948	6.1
149.02049	1.6
149.06010	5.2
150.07608	4.9
151.07530	18.9
155.07050	13.9
157.06483	2.9
161.06004	7.0
163.03928	2.3
165.05472	47.7
167.07005	3.7
175.07547	4.0
177.05476	2.2
179.07028	37.2
187.07556	2.9
189.05426	1.9
191.06990	5.3
195.06525	3.1
197.08125	5.5
203.06998	8.4
205.08623	6.1
215.07062	4.7
218.86121	2.0
221.08012	10.8
233.08093	26.2
251.09143	30.0
259.08182	4.0
263.09222	3.9
269.10254	2.2
277.09338	2.3
281.10202	2.1
295.10376	3.2
299.11163	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	466.265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71901	0.5
53.03936	1.4
55.01871	1.5
55.05532	0.7
57.03434	4.0
57.07072	1.6
61.02925	3.1
65.03947	0.6
67.05499	4.2
69.03435	8.2
69.07066	2.5
70.50608	1.0
71.01364	0.7
73.02922	11.0
79.05495	6.4
81.03428	2.0
81.07058	100.0
82.07391	1.1
85.02905	19.4
85.17431	0.5
86.09756	0.6
87.04475	1.0
91.03976	1.0
93.07126	0.7
93.56749	0.5
95.08606	17.3
97.02897	13.5
99.04417	0.7
103.03963	0.9
106.70190	0.6
109.02891	2.0
109.10154	1.1
115.03927	6.4
127.03902	6.3
133.04971	8.9
133.05916	0.7
137.13257	22.3
145.04958	9.5
150.07674	0.7
163.06021	5.3
184.07341	0.9
217.07074	0.8
223.06067	1.7
226.23259	0.5
241.07153	2.5
255.40410	0.6
259.08124	3.5
277.09250	0.8
295.10303	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	466.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
57.03444	4.9
57.07071	1.8
59.04988	0.8
61.02913	0.7
67.05508	4.8
68.39217	0.5
69.03063	1.2
69.03427	16.1
69.07064	3.8
69.43419	1.3
69.43800	1.3
73.02920	2.5
79.05493	7.1
81.03392	0.7
81.07056	100.0
82.07378	0.8
85.02904	12.7
87.04471	12.1
91.03966	0.7
95.08607	18.6
96.08926	0.8
97.02895	15.5
97.03861	0.7
98.22658	1.1
109.02892	1.2
109.10187	1.3
111.04428	0.7
111.08095	0.6
115.03931	27.6
116.05695	0.6
127.03902	3.0
133.04970	31.4
137.13254	25.6
137.14326	1.3
138.13545	0.6
145.04984	4.1
150.07619	4.1
162.96317	0.6
163.06021	2.3
169.04967	0.8
206.93906	0.6
223.06020	1.1
241.07132	1.6
246.40541	0.6
259.08099	3.0
272.14322	0.7
277.09305	0.8
295.10233	2.9
306.86209	0.6
468.90967	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38383	0.3
51.30547	0.3
53.03938	1.1
53.25466	0.4
55.01872	1.6
55.05511	0.8
55.75371	0.3
57.03432	5.5
57.07078	2.4
57.07541	0.3
59.05000	0.8
61.02931	2.5
65.03941	0.5
65.99772	0.4
67.05501	4.3
69.03431	8.7
69.07068	4.1
69.97967	0.7
69.98312	0.5
71.01351	0.7
71.04999	0.5
73.02914	16.2
79.05490	7.9
81.03422	1.5
81.07055	100.0
82.07387	1.3
85.02901	21.8
87.04476	1.5
91.03984	0.7
91.89801	0.3
93.07049	1.0
95.08604	20.3
95.17939	0.3
96.08941	0.4
96.59432	0.5
97.02889	15.8
99.04463	0.9
99.97623	0.3
103.03941	0.8
107.08582	0.4
109.02890	1.4
109.10149	1.8
115.03925	7.7
126.74023	0.3
127.03919	7.9
133.04967	13.2
137.13251	22.6
145.04962	10.7
145.06090	0.7
150.07620	1.2
152.70839	0.4
163.06007	7.0
171.79651	0.4
174.19441	0.3
178.56921	0.4
199.06021	0.7
206.44299	0.3
215.41603	0.4
217.07147	0.6
221.47485	0.4
223.06015	2.1
241.07059	2.5
259.08118	5.1
265.28992	0.4
277.09271	1.5
295.10300	3.5
309.92984	0.3
377.05194	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	12.9
57.03436	9.1
57.07075	5.5
65.03926	1.6
67.05505	34.0
69.07066	17.0
69.11847	11.1
71.08638	3.9
79.05497	7.3
81.07059	27.2
83.04935	1.6
83.08626	7.8
83.78941	1.7
84.87659	2.0
85.10166	2.1
89.06030	2.5
91.05485	5.8
93.07035	8.0
95.08601	21.9
97.06528	3.4
97.10168	4.1
98.23507	2.9
98.98479	5.2
105.07028	5.0
107.08570	3.3
109.10158	7.9
111.11764	1.7
113.00022	28.6
119.08614	2.3
121.10172	4.2
123.11682	4.8
133.10132	2.6
135.11684	1.8
147.11746	2.2
149.13263	2.0
155.01007	4.8
168.30847	1.6
169.02592	20.2
171.10187	1.9
245.22697	1.9
263.23718	2.7
313.27420	11.0
337.27353	100.0
338.27652	5.3
466.29367	2.8
466.35062	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	467.249
Annotation	Rhodioloside E
Peak:m/z	Relative Intensity
51.17124	0.8
55.01863	1.0
55.05507	3.3
55.08775	0.7
57.03440	4.3
57.07075	1.1
59.04995	2.5
61.02913	1.0
67.05505	6.6
69.03436	14.5
69.07063	9.0
71.01318	0.8
71.05009	0.8
73.02916	1.8
79.05486	5.4
81.03416	1.0
81.07055	100.0
82.07354	1.1
83.04977	1.1
83.08622	2.0
85.02902	13.3
85.06548	2.5
86.09709	2.3
87.04456	7.4
91.05494	1.7
93.07055	4.5
95.04971	2.5
95.08604	28.3
97.02892	13.4
97.06533	1.3
99.04451	1.5
99.08092	6.8
103.03975	1.0
105.07033	3.5
107.08592	2.9
109.02901	0.8
109.06519	0.9
109.10166	0.8
111.04434	1.1
111.11718	2.0
115.03934	10.6
119.08591	2.9
121.06542	2.2
121.10150	1.3
123.08081	1.1
125.00042	1.4
127.03916	1.7
131.08591	1.1
133.04967	11.3
133.10106	1.1
135.08034	0.9
135.11713	1.2
137.05925	0.9
137.13251	34.0
138.13681	1.1
139.07480	0.7
145.04973	2.5
145.10136	1.1
147.11697	2.5
149.13254	1.9
153.05367	0.8
153.12726	0.9
155.14296	12.4
158.29384	0.9
161.05870	0.9
161.13269	1.6
163.03999	0.8
163.06067	1.1
165.12810	1.8
167.07141	0.9
175.11398	0.8
179.14375	1.8
184.07338	8.8
185.07809	1.8
193.12280	1.0
209.40315	0.8
215.07152	1.0
217.12201	1.4
233.15434	1.8
235.13179	0.9
239.16406	1.2
241.07260	1.2
251.16475	3.1
253.14386	1.5
259.09674	2.5
263.16623	1.2
269.17563	2.5
271.09833	0.8
280.01465	0.7
281.17459	0.8
295.10300	0.9
377.95874	0.8
467.15433	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38967	1.6
55.05510	5.2
57.03432	5.9
57.07082	2.6
67.05501	4.9
69.03432	12.4
69.07066	4.0
69.36716	8.8
69.37086	3.8
71.04988	2.0
73.02926	4.5
76.18932	2.1
79.05505	5.3
81.07057	100.0
82.07403	3.5
84.84492	1.8
85.02901	15.7
85.06552	6.4
86.09712	4.4
87.04458	4.0
91.05514	2.3
93.07024	4.2
95.08604	65.2
95.19910	2.2
97.02895	16.0
97.10188	5.9
107.08593	2.5
111.11716	2.7
115.03938	7.2
125.00008	2.9
127.03896	3.9
133.04942	9.5
137.05997	2.2
137.13246	72.4
138.13562	2.5
145.04968	3.5
155.14311	40.8
167.07042	2.3
173.15367	28.6
184.07343	6.7
238.01874	1.8
269.56558	2.2
286.04733	1.9
369.94287	2.1
399.06351	2.1
467.22610	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	467.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.6
56.33628	2.2
56.39546	1.9
57.03428	5.3
57.07072	3.3
59.05005	2.8
67.05511	12.0
68.12357	2.1
69.03423	17.0
69.07066	26.4
71.04984	4.3
73.02936	4.7
79.05503	8.9
81.07059	100.0
81.13419	2.0
85.02915	17.9
85.06543	28.7
86.09702	3.5
87.04479	6.7
93.07041	6.8
95.04974	3.6
95.08603	41.4
95.09147	3.8
96.08928	3.7
97.02885	13.5
99.08093	5.3
104.10741	2.6
105.53538	2.2
107.08587	4.6
109.10179	4.2
111.11742	7.9
115.03944	11.8
115.59625	2.5
116.09122	2.0
118.91774	2.3
119.08545	3.4
127.03879	3.3
130.86768	2.2
133.04977	9.5
133.10150	3.6
135.08046	3.5
135.11757	3.0
137.06015	3.0
137.09587	2.5
137.13280	22.6
137.33243	1.9
145.04970	2.4
145.10159	3.9
147.11655	2.5
149.13345	2.7
153.12859	2.0
155.10703	4.1
155.14314	92.7
156.11044	3.0
156.14638	2.9
167.07068	2.6
173.15350	22.2
184.07309	8.2
186.35068	2.1
251.16524	17.3
269.17596	4.5
305.19711	4.8
337.44150	2.5
467.23260	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	468.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.4
55.08701	0.2
56.05033	0.4
57.03432	0.5
58.06625	0.5
58.64964	0.1
60.08164	6.4
67.05482	0.3
69.03429	0.5
69.07050	0.2
69.20281	1.0
71.05004	0.2
71.07021	0.2
71.07381	2.5
73.02894	0.2
79.05468	0.3
79.87930	0.2
81.03410	0.4
81.07057	0.6
83.05002	0.3
85.02901	0.8
86.09703	30.7
87.04436	0.3
87.10063	0.3
91.05482	0.4
93.07062	0.3
95.08599	0.7
97.02879	0.4
98.22746	0.3
98.98457	2.5
104.10738	3.2
105.07031	0.3
115.03935	0.4
119.08583	0.2
121.10150	0.4
125.00001	21.3
131.08551	0.2
133.04959	0.2
139.11192	2.3
139.80608	0.2
143.01042	0.2
157.12241	5.1
164.51427	0.2
184.07336	100.0
185.07692	0.9
193.39999	0.2
204.83223	0.2
253.75607	0.2
450.22427	1.4
468.23526	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	468.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.2
55.05512	4.6
57.03440	7.4
58.21384	1.3
59.04985	2.4
67.03608	1.5
67.05500	6.0
69.03435	22.7
69.07067	4.1
70.59982	1.5
71.04984	4.6
73.02911	4.9
79.05492	22.9
79.47714	1.6
81.03422	3.4
81.07058	32.2
81.53005	1.5
83.04985	9.6
83.08617	1.5
85.02904	16.4
85.06557	4.2
85.36539	1.6
86.09698	4.9
87.04463	14.1
91.05484	6.4
93.06446	2.7
93.07044	50.2
95.04972	10.0
95.08605	28.4
97.02892	19.2
97.06547	1.7
99.04512	1.8
105.04515	3.9
105.07030	4.0
107.04976	3.9
107.08613	2.2
109.02866	1.6
109.10205	2.1
112.11312	1.4
114.22207	1.4
115.03927	21.5
117.06973	1.6
118.22894	1.3
119.08558	2.5
121.10143	100.0
123.04425	6.9
123.11702	2.8
125.00015	3.9
127.03900	1.7
133.04956	26.9
137.06004	3.6
137.09622	2.5
139.03914	2.0
139.11180	76.4
140.04652	2.0
143.08542	1.5
145.04979	3.0
149.09625	1.7
152.60818	1.6
155.07030	4.7
163.06067	2.4
163.11151	4.0
165.05481	2.9
173.08183	2.1
177.05476	2.6
181.04993	2.6
181.12241	1.6
183.06483	9.8
184.07315	15.7
195.06546	1.7
205.12128	1.5
217.12294	3.2
235.13252	2.7
235.16985	2.3
253.14400	2.2
259.08084	2.5
271.10019	1.7
271.15106	1.6
283.14771	1.6
295.10156	1.6
382.87607	1.5
403.56729	1.5
410.43704	1.6
451.34732	1.4
468.15897	4.0
468.23444	7.9
487.44189	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
55.05498	1.1
57.03433	25.5
57.07048	0.6
59.04995	3.1
61.02927	0.7
63.67080	0.5
63.97078	0.4
67.05492	1.8
69.03431	3.7
69.07063	3.3
71.04992	1.0
71.45261	0.5
73.02917	5.3
74.64965	0.4
79.05499	4.5
80.95663	0.5
81.07056	14.8
83.04967	1.3
85.02901	6.4
85.06467	0.5
86.09692	1.9
87.04458	0.9
91.05496	1.2
93.07047	10.4
95.04958	1.2
95.08591	5.2
97.02896	4.4
97.06515	1.4
97.10191	0.6
103.05407	0.5
105.07051	1.3
109.10143	1.3
111.04482	0.6
113.05967	0.6
115.03928	2.8
115.07563	2.1
121.10143	30.2
122.10508	0.7
125.00028	1.1
126.09193	0.7
127.03925	1.4
127.11234	0.9
131.04910	0.7
133.04959	3.0
137.05952	1.4
137.09590	0.8
139.03902	0.8
139.11172	100.0
140.11487	1.6
145.04961	1.9
155.10739	0.6
157.12228	3.5
163.03931	0.6
163.07365	0.5
167.14291	0.9
184.07336	4.8
189.46709	0.5
235.16956	0.9
271.09799	0.7
271.15356	1.7
295.10016	0.6
306.13467	1.4
445.17114	0.5
468.23434	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.33
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.0
57.03439	1.0
57.07075	5.7
58.07397	1.0
67.05494	1.6
69.07069	1.4
69.64017	2.1
71.08633	3.7
72.08968	1.2
81.07059	2.3
82.03215	0.6
82.07410	1.0
83.08637	1.5
84.08968	0.7
85.10184	1.7
86.10532	0.5
89.06036	1.3
93.07044	0.8
95.08601	3.3
96.08936	1.1
97.06577	0.6
97.10157	0.7
98.10507	0.5
98.98466	9.3
101.97758	0.5
103.42249	0.7
107.08588	0.7
109.10175	1.7
119.08674	0.6
123.11652	0.5
155.01044	8.6
156.01395	0.8
157.01453	0.6
165.81898	0.6
214.10294	0.5
240.24109	0.9
275.20184	0.8
312.26144	1.4
313.27429	2.8
314.27698	16.0
315.28064	0.6
394.79071	0.6
450.26794	3.1
450.32333	1.4
468.32993	100.0
469.33508	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	469.132
Annotation	Catechin-4-ol 3-O-beta-D-glycopyranoside
Peak:m/z	Relative Intensity
50.91542	0.3
69.03439	0.4
69.07064	0.3
81.03424	0.3
84.08123	0.4
85.02908	0.8
87.04479	0.3
93.07074	0.6
95.08592	0.9
97.02895	0.8
97.06566	0.5
99.04431	0.3
100.07614	0.7
101.35858	0.3
103.80460	0.3
108.76983	0.3
109.02869	0.4
115.04000	0.4
115.07564	0.5
117.03388	0.4
129.09113	0.3
133.04973	0.4
135.04398	0.6
139.11118	0.4
141.09154	0.5
143.08153	0.9
143.44443	0.3
145.02859	0.8
146.08136	1.0
157.08606	0.4
157.12245	0.7
159.10222	0.5
163.03896	4.1
289.11893	0.7
305.81003	0.3
307.07819	0.6
307.12823	0.7
360.78381	0.3
469.13150	100.0
470.13284	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	469.1684
Annotation	PRIM-O-GLUCOSYLCIMIFUGIN
Peak:m/z	Relative Intensity
50.13181	0.4
59.05022	0.4
69.03423	0.7
69.07071	0.6
69.15974	1.1
69.16383	1.1
73.79820	0.4
81.07067	1.7
83.01112	0.9
84.01882	0.7
85.02926	1.2
94.30951	0.4
95.01099	2.6
95.04959	0.6
96.01880	1.1
97.02885	0.5
111.89450	0.4
112.01353	1.1
112.05002	0.5
112.12117	0.5
113.02127	4.1
115.03905	0.5
121.10142	0.7
125.09696	0.5
126.02962	0.5
130.23393	0.4
133.04961	0.5
139.11226	0.9
140.11494	0.9
141.09142	0.6
147.04420	0.5
157.04764	0.7
157.12244	1.4
158.12563	1.3
163.03922	0.6
167.03174	0.8
185.04227	4.9
201.03790	1.2
203.05270	0.6
209.08208	0.4
210.70694	0.4
213.65244	0.4
217.04773	1.4
232.07066	16.1
233.07736	0.6
243.08380	0.7
245.08081	0.4
259.07797	2.4
275.08926	2.3
374.40265	0.4
421.14645	0.5
433.90991	0.4
438.14792	1.8
439.15781	1.6
469.16803	100.0
470.17059	5.1
475.41592	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.05505	10.1
57.03432	7.5
65.03951	1.1
67.05503	37.0
69.07058	9.6
69.22836	5.5
71.04972	0.9
79.05492	19.8
81.07053	32.0
82.07403	1.0
83.05000	1.4
83.08593	2.2
91.05476	8.7
93.07040	20.5
95.04964	2.9
95.08599	26.8
98.22701	1.8
105.04534	1.4
105.07033	6.8
107.08594	8.5
109.10155	6.1
117.07028	1.7
117.57091	1.0
119.08587	3.5
121.10134	7.4
123.08012	1.0
123.11699	1.7
131.08568	3.6
133.10146	2.9
134.98177	100.0
135.11681	3.6
145.10191	1.6
154.74133	1.1
159.11734	1.3
176.00812	3.4
189.00089	1.6
209.01814	2.3
228.82530	0.9
268.09341	1.0
325.77136	0.9
335.21750	1.8
335.25769	36.8
336.26166	1.5
338.23819	1.0
357.23944	23.2
381.22556	0.9
469.23239	70.9
469.33527	2.6
470.23422	4.4
484.49460	1.1
487.21280	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69804	0.3
55.36924	0.3
68.53857	0.4
69.76848	1.2
74.19793	0.3
81.35062	0.4
84.51086	0.4
91.05478	0.4
95.50549	0.3
98.22752	0.8
131.08557	0.5
187.00113	0.3
235.13095	0.9
257.11246	100.0
258.11545	2.2
469.24130	16.2
470.24368	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2647
Annotation	Halisulfate 9
Peak:m/z	Relative Intensity
52.28416	0.8
55.01884	0.9
55.05509	27.2
57.03440	4.1
57.07075	23.5
57.07362	0.9
59.05000	1.0
66.55107	0.8
67.05493	1.4
69.03429	14.7
69.07065	27.7
69.74902	0.7
69.75230	1.9
71.08634	3.8
73.02922	1.5
77.27439	0.8
79.05476	1.2
81.03416	1.2
81.07050	8.0
83.04967	0.7
83.08617	100.0
84.08955	1.1
85.02906	12.2
87.04465	7.1
96.15568	0.8
97.02889	12.3
97.06549	2.1
97.10166	19.6
99.04446	0.8
103.03934	0.7
109.10267	0.9
111.11687	1.1
115.03919	10.8
117.05090	0.8
124.03982	1.6
127.03955	1.5
133.04956	9.2
139.14828	3.4
145.04977	1.7
157.15874	47.5
158.16293	1.1
163.03934	2.5
175.16939	51.0
215.07021	1.2
215.76187	0.9
259.09741	1.0
260.10062	1.3
277.10690	2.3
308.15024	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3316
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03944	1.7
55.05248	2.7
55.05505	19.1
57.07067	5.1
65.03922	2.9
67.05508	22.1
69.03430	6.0
69.07074	20.7
69.88007	6.1
71.04992	4.1
77.03928	2.4
77.72118	1.8
79.05486	23.3
81.03428	2.7
81.07055	57.3
83.00231	1.9
83.04994	16.6
83.08629	13.2
85.02930	2.0
86.09698	3.2
91.05476	26.5
93.07046	44.4
95.04962	12.1
95.08605	66.6
97.06538	22.0
97.10177	3.9
99.08108	3.4
103.05457	2.1
105.07026	74.2
107.08591	73.0
109.06511	8.7
109.10152	44.3
111.08099	6.3
117.06995	9.8
118.41675	2.0
119.08580	100.0
120.08138	2.2
121.06524	3.2
121.10143	56.3
121.10991	4.3
122.10487	2.3
123.08073	7.1
123.11732	16.9
125.09617	9.1
128.06131	1.8
129.06992	6.8
131.08577	42.0
133.10121	46.7
135.04424	3.1
135.08028	5.6
135.11697	26.6
137.09619	5.2
137.13269	2.4
138.09203	2.7
139.11237	3.8
141.07011	2.4
142.07776	6.3
143.08559	15.6
144.09328	5.0
145.02905	2.3
145.10123	69.4
147.11691	38.9
148.83810	2.0
149.09674	4.7
149.13261	16.0
151.11154	8.7
155.08504	4.1
156.09320	4.5
157.10141	27.9
158.10901	4.2
159.11688	59.2
161.02324	6.4
161.05988	2.6
161.09639	3.8
161.13251	29.5
163.03906	19.2
163.07484	3.0
163.11212	2.8
163.14822	17.3
165.12756	3.6
169.10159	8.8
170.10905	3.0
171.11682	19.2
173.02345	12.0
173.13264	40.5
175.11221	2.7
175.14816	35.3
177.12761	4.9
177.16382	15.4
179.14313	3.5
183.11678	5.9
184.07379	6.2
185.13231	24.9
187.14810	42.0
189.12750	3.5
189.16393	29.9
191.14302	21.2
191.17888	10.3
193.15865	8.2
195.11752	2.0
197.13237	5.4
199.14827	33.8
201.12688	2.1
201.16383	49.3
203.14345	11.7
203.17953	8.2
205.15871	55.8
207.17468	5.6
211.14836	8.2
213.16388	16.2
215.07033	17.1
215.14386	5.3
215.17972	8.3
217.15852	26.2
219.14040	2.1
219.17435	46.6
221.15402	3.6
223.14883	3.8
225.16351	3.3
227.17888	5.7
229.15871	13.3
231.17383	20.0
231.21117	2.5
233.15323	2.0
233.19023	8.1
239.17792	3.1
241.19522	4.3
243.17480	2.2
243.21126	3.4
245.15442	4.0
245.19064	5.1
251.16458	7.9
253.19627	3.4
255.21172	2.5
257.18958	3.5
259.09647	27.8
259.20587	3.9
260.09918	2.5
267.21030	3.7
271.20853	4.7
277.10748	18.7
277.18011	6.5
283.20538	8.2
297.22269	3.0
304.13727	3.7
323.05557	2.7
387.30322	4.0
393.31357	10.0
395.33102	6.0
405.31454	27.9
407.11282	2.6
407.33133	9.0
423.32571	42.0
425.34039	2.8
433.31183	5.0
439.32208	4.8
451.32129	21.7
469.23999	3.7
469.33148	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84916	0.9
57.07087	1.2
80.59357	0.8
89.06063	2.0
91.05479	2.3
107.08604	1.3
108.08141	1.1
133.08586	0.8
159.21892	0.8
162.29039	0.9
183.10135	1.0
469.23325	3.6
469.35013	100.0
470.35535	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	470.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.7
57.03432	11.4
57.07073	1.2
59.05000	13.4
61.02934	1.2
67.05504	5.0
69.03424	12.7
69.07069	1.8
69.21613	5.5
71.04996	4.7
73.02910	6.9
79.05508	1.7
81.07056	28.4
81.14152	0.8
83.08612	11.4
85.02900	12.1
85.06548	1.0
86.09723	3.9
87.04464	6.7
95.08607	2.3
97.02892	10.2
98.23414	2.1
115.03922	11.3
121.10220	1.0
123.11706	71.6
124.12029	1.0
125.00031	2.1
127.03923	2.0
133.04965	9.5
141.12743	27.5
145.04976	2.9
150.07620	2.5
159.13805	100.0
160.14204	2.5
184.07335	9.7
186.70790	0.9
245.62517	0.9
398.44449	0.9
460.41086	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.26
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82128	1.8
55.01864	3.9
55.05500	4.3
57.03441	16.7
57.07046	2.5
61.02918	1.9
67.05505	13.6
69.03431	27.8
69.07058	2.6
70.06581	8.5
71.04975	7.9
73.02915	13.4
79.05484	8.8
81.03416	2.2
81.07055	100.0
83.08593	4.0
85.02903	37.0
85.06532	2.6
86.94482	1.8
87.04460	14.7
91.05455	2.1
93.07040	5.1
95.08604	10.0
97.02888	38.0
97.10140	3.2
105.07019	6.3
107.08584	4.9
109.02853	2.8
109.10158	3.5
114.78239	2.1
115.03933	38.0
119.08565	2.7
121.10162	13.8
122.56499	1.9
123.11706	64.0
125.09636	6.4
127.03918	10.2
133.04971	43.8
133.10168	15.7
137.05974	4.6
139.11151	7.6
140.11554	2.9
141.11746	1.8
141.12740	32.6
141.70750	1.9
143.10674	22.0
145.04939	11.9
151.11145	4.2
159.10190	2.6
159.13757	9.7
162.47079	1.9
163.03949	2.7
163.06004	6.8
189.16318	4.0
193.04973	2.3
216.03925	2.1
219.17444	8.0
223.06047	4.1
237.18460	7.7
241.07213	3.7
255.19492	8.4
259.08109	9.5
273.20560	3.8
292.90311	2.0
295.10217	7.7
471.18173	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	470.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01857	0.5
55.05507	0.8
57.03434	5.8
57.07078	4.6
59.04992	1.0
65.27769	0.4
67.05506	1.5
69.03429	19.1
69.07064	1.6
69.30430	2.0
71.04993	1.0
73.02908	1.3
75.04469	0.6
79.05492	0.5
81.03406	0.7
81.07057	4.5
83.05007	0.5
85.02400	0.9
85.02904	14.2
85.06511	0.5
85.10181	15.3
87.04464	12.7
93.07062	0.7
95.08573	2.6
97.02894	13.3
97.06535	1.1
97.10189	0.5
98.06852	0.6
98.22733	1.1
107.08544	0.5
109.02871	0.8
109.10142	0.5
109.53194	0.4
113.09644	26.8
115.03928	19.0
115.04563	0.4
123.04403	0.5
123.11710	1.8
127.03886	1.0
133.04967	18.6
141.12740	23.3
145.04967	1.4
146.81963	0.5
150.07597	2.0
150.84303	0.4
159.13805	100.0
160.14198	1.4
163.03860	1.1
164.04207	0.7
169.04904	0.6
173.02266	0.7
183.13826	0.4
215.07024	0.8
216.07333	1.1
241.07043	0.6
259.08026	0.6
260.09933	1.5
277.19141	0.6
278.11038	0.6
295.10181	0.7
311.17493	0.7
415.20041	0.5
452.18051	0.7
470.20193	3.4
471.26062	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.9
57.03434	5.2
57.07073	3.5
58.15697	0.3
59.04988	1.1
67.05506	1.7
69.03429	16.7
69.07061	2.0
70.57331	0.4
71.04983	0.8
73.02910	0.9
75.04475	0.7
79.05488	0.6
81.03407	0.7
81.07064	3.4
83.04980	0.5
85.02904	12.2
85.06512	0.4
85.10180	14.3
87.04466	11.0
87.05008	0.4
91.05490	0.4
93.07005	0.5
95.08593	3.2
97.02894	13.6
97.06536	0.6
98.03183	0.3
105.07045	0.8
107.08578	0.6
109.10176	0.6
113.09644	23.5
115.03928	18.3
119.08611	0.5
120.08104	0.6
123.11685	1.0
127.03899	1.2
133.03941	0.7
133.04961	17.6
141.12738	22.2
145.04893	2.0
150.07622	1.5
159.13800	100.0
160.14134	1.8
163.03899	0.8
169.04941	0.6
216.07428	0.5
260.10022	0.6
277.08865	0.6
278.10989	0.8
283.62582	0.3
295.10281	0.8
311.17435	0.4
452.18109	0.8
470.20493	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	470.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.3
57.03434	12.9
61.02927	12.1
67.05503	3.5
69.03428	36.8
69.55780	3.0
69.72751	2.6
71.01364	5.4
73.02914	67.0
73.03291	4.9
81.03414	6.2
81.07060	6.0
85.02903	100.0
85.03423	6.0
87.04447	3.8
91.03980	5.3
91.05524	3.1
93.07066	6.7
95.08584	4.7
97.02895	63.5
97.06512	3.2
99.04475	7.9
105.07023	3.4
107.08615	3.7
109.02883	7.5
115.03933	31.6
119.08592	5.1
125.85046	2.7
127.03905	34.5
133.04955	38.9
145.04951	62.5
163.05989	16.7
223.06032	6.1
241.07086	5.0
259.08142	9.2
267.85764	3.2
324.75400	3.2
356.03674	3.5
470.23056	5.8
471.14059	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	471.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
68.14652	0.4
69.31973	0.4
69.34361	1.3
69.34763	1.0
74.55853	0.3
78.30131	0.4
81.03427	0.5
82.42926	0.4
82.44714	0.4
85.02898	0.9
98.97584	0.8
107.04952	0.5
111.04420	0.6
136.86949	0.4
137.05916	0.4
143.99724	0.4
147.04367	0.7
148.87061	0.4
163.03908	1.7
203.05333	2.6
219.01791	0.5
259.08014	0.5
275.07449	0.7
309.09399	3.9
310.09802	0.6
314.38043	0.4
347.09592	4.6
471.14725	100.0
472.15063	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	471.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
64.30602	0.3
67.05504	0.8
69.03425	0.8
69.07065	0.4
69.27972	1.0
73.02908	1.8
75.29401	0.3
79.05475	0.3
81.07056	1.8
85.02903	1.2
86.03226	0.4
95.08589	0.7
97.02898	0.9
98.23400	0.7
99.56664	0.3
102.90976	0.3
105.06995	0.4
107.08630	0.4
115.03896	0.5
118.15703	0.3
121.10106	0.5
127.03883	0.3
133.04926	0.4
145.04996	0.6
155.03191	0.8
159.13780	1.1
160.14163	0.7
165.09111	0.7
201.03687	1.6
203.05304	1.0
210.40945	0.3
248.02133	0.3
275.07330	2.0
333.07901	50.0
334.08289	1.2
335.09467	26.4
336.09766	1.0
345.02393	0.3
396.97089	0.3
453.18118	0.4
471.21924	100.0
472.22308	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	471.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
64.51099	0.2
67.05495	0.5
69.03419	0.2
69.07057	0.8
69.11282	1.5
69.86504	0.2
79.05479	0.3
81.07052	1.7
83.04996	0.3
91.05457	0.3
93.07030	0.7
95.08599	1.1
105.07027	0.4
107.08575	0.4
119.08582	0.4
120.08032	0.2
121.10143	0.5
123.11749	0.3
128.50508	0.2
131.08597	0.3
133.10155	0.3
133.58618	0.2
139.64409	0.2
145.10133	0.4
153.01764	0.9
161.13194	0.2
165.09047	0.6
165.85977	0.2
171.02826	0.3
191.17918	0.3
195.05595	0.2
201.03595	0.3
201.16411	0.4
203.05315	0.9
214.35727	0.3
273.25760	0.2
275.07471	1.2
289.09039	0.3
291.26880	0.4
317.08392	0.8
333.07904	4.4
335.09476	9.3
339.17715	0.9
368.88489	0.3
471.21899	100.0
472.22183	4.7
474.46475	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2202
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
55.05499	0.2
59.04987	0.2
60.08091	0.2
65.36629	0.2
65.75800	0.2
66.30261	0.2
67.05496	0.3
69.07072	0.9
69.30118	0.3
69.30523	0.5
71.05022	0.2
73.56139	0.2
79.05482	0.3
81.07076	1.0
91.05463	0.3
93.07044	0.5
95.08614	0.3
97.06453	0.2
107.08602	0.3
109.06474	0.2
109.10141	0.3
118.53489	0.2
119.08581	0.5
127.03727	0.2
131.08536	0.3
133.10173	0.4
137.09636	0.2
145.10144	0.8
147.11691	0.3
149.09613	0.2
153.01794	1.4
155.93707	0.2
159.11691	0.8
165.09134	0.3
173.13278	0.3
191.14275	0.2
191.68985	0.2
201.12762	0.4
219.17429	0.2
275.07495	0.4
317.08420	0.5
333.07877	2.4
335.09464	7.2
339.17844	0.3
407.29422	1.1
409.30972	0.3
432.65152	0.2
452.49127	0.2
471.21970	100.0
472.22394	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	471.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
55.05257	1.2
55.05508	16.3
57.03434	9.0
57.07067	2.1
65.03925	1.3
67.05501	30.5
69.07061	18.9
69.74950	1.5
69.75329	1.5
71.05000	1.4
71.08637	1.1
79.05489	7.5
81.07050	33.3
83.04975	1.3
83.08627	8.1
89.06030	0.9
91.05485	7.0
93.07041	8.7
95.04945	1.1
95.08604	22.4
97.06519	2.4
97.10166	3.3
105.07024	6.0
107.08601	5.0
109.06537	1.2
109.10154	9.6
111.08025	1.3
116.75208	0.8
117.07005	0.9
118.98521	0.9
119.08614	4.3
119.45387	0.7
121.06441	0.7
121.10139	4.0
123.11712	2.5
125.09634	0.9
131.08571	2.2
133.10146	3.7
134.60802	0.8
134.98180	100.0
135.11665	1.3
145.10107	0.8
147.11690	2.3
151.14891	0.9
152.99232	1.3
157.31166	0.8
161.13219	1.3
170.99022	1.0
176.00879	2.4
209.01906	2.9
234.54089	0.9
256.71463	0.9
337.27347	38.6
338.27435	1.1
359.25519	15.1
377.26566	1.0
422.76263	0.8
453.23785	1.0
471.24799	75.0
471.35251	2.6
472.25101	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	471.3106
Annotation	ZHANKUIC ACID B
Peak:m/z	Relative Intensity
50.26243	2.3
53.03952	2.2
55.05512	7.0
67.05496	12.4
69.07074	13.0
69.44487	4.7
69.44883	5.6
72.87710	2.2
73.82545	1.9
78.76991	1.7
79.05493	20.1
81.03431	2.5
81.07056	49.5
81.07504	4.0
82.62550	1.7
83.08622	5.6
85.23934	1.8
91.05468	26.5
93.07040	36.4
95.04951	6.4
95.08602	41.9
97.06549	3.7
99.04430	1.9
103.05486	4.0
105.07029	75.6
107.04932	3.1
107.07847	2.4
107.08587	50.7
109.06531	14.0
109.10128	13.3
111.08086	4.9
115.05373	3.0
117.07016	13.2
119.08580	100.0
121.06490	10.5
121.10142	26.1
123.08074	5.5
123.11736	2.1
124.35360	2.1
128.06212	4.8
129.07010	7.2
131.08560	26.2
133.06479	5.3
133.10136	40.1
135.08098	11.7
135.11674	11.6
137.09593	3.2
142.07820	4.6
143.08560	20.1
144.09369	6.2
145.06483	1.9
145.10129	34.4
147.08055	13.3
147.11693	48.4
149.09624	6.3
149.13274	8.8
155.08511	4.0
156.09361	6.7
157.10103	13.1
158.10849	3.6
159.08061	3.8
159.11674	34.3
159.12941	2.7
161.09604	8.5
161.13257	41.0
163.07497	2.3
163.11160	8.5
163.14828	19.5
165.12605	2.2
169.10095	6.3
171.11690	15.0
173.09619	6.9
173.13264	16.4
175.11203	11.4
175.14807	40.6
175.16179	3.5
177.12767	7.1
177.16362	17.2
183.11729	7.1
185.09564	3.3
185.13248	15.9
187.11154	5.6
187.14816	26.9
189.12779	15.0
189.16388	17.1
191.14314	11.6
191.17957	3.1
193.12181	2.2
195.11821	3.2
197.13287	6.8
199.11124	3.2
199.14783	5.6
201.12743	3.8
201.16479	4.9
203.14310	25.6
203.18150	2.8
205.15863	45.3
207.13817	6.2
209.13319	4.4
213.12793	3.0
213.16417	3.2
215.14383	6.7
215.17926	2.8
217.12230	7.2
217.15883	15.5
219.17453	2.5
221.15286	3.8
225.16359	2.4
227.17993	3.6
231.13693	2.2
231.17514	3.7
233.15407	5.9
235.13274	75.6
235.17032	4.6
239.18066	3.7
241.16032	3.5
241.19475	2.7
243.17511	2.3
249.14906	7.1
255.21159	2.4
257.18924	4.4
263.16400	12.8
265.19553	2.4
267.17535	3.4
293.19080	3.2
297.22470	2.2
311.20084	4.9
311.34186	2.2
379.30084	3.6
381.27615	2.3
389.28299	23.3
407.29477	49.6
408.29660	6.1
409.27347	3.6
417.27701	6.1
425.24939	4.2
425.30481	64.1
426.31207	3.7
435.29031	16.2
453.30084	29.8
471.24338	3.8
471.31064	59.6
472.31247	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	472.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67496	1.3
55.05504	11.0
57.03434	5.8
57.07077	13.0
59.04980	1.7
67.05485	2.5
69.03428	18.8
69.07066	95.3
70.07393	1.2
73.02905	2.8
80.06770	1.1
81.07034	1.6
83.08118	2.3
83.08618	41.8
85.02896	15.4
86.09695	1.6
87.04462	9.2
91.94563	1.1
97.02895	17.1
97.10136	1.4
109.02884	1.5
112.03183	1.2
114.09161	1.5
115.03920	12.4
125.13248	10.4
133.04959	10.9
143.14302	100.0
144.14642	1.8
145.04982	2.0
148.44371	1.4
159.13858	1.8
161.11751	2.0
161.15343	21.2
172.88257	1.2
174.44501	1.4
179.64769	1.2
184.07310	1.8
196.09680	1.7
347.87900	1.3
379.06570	1.4
392.66422	1.4
472.20840	5.3
473.21811	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	472.277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	0.4
57.05832	0.3
66.85207	0.2
69.07068	6.1
69.26700	1.0
75.05611	1.8
81.49769	0.2
86.06075	3.7
86.09705	100.0
87.10033	1.2
114.05530	10.8
143.11795	9.6
153.06584	0.3
164.06992	0.3
171.07640	3.7
171.11325	0.4
189.12337	3.8
199.18147	0.4
227.17531	0.5
238.15532	0.7
256.16568	17.8
257.17047	0.4
284.16043	23.4
285.16351	0.6
319.15515	0.2
397.24423	1.6
454.27710	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3266
Annotation	Kuguacin Q
Peak:m/z	Relative Intensity
55.05511	5.6
57.07060	1.2
59.04999	1.1
59.79243	0.4
65.30159	0.4
67.05496	2.3
68.39079	0.4
69.07063	3.1
69.64348	0.9
69.64706	0.9
79.05479	3.0
81.07053	4.8
83.04984	24.0
83.08615	2.2
85.06529	0.7
91.05476	3.2
93.07038	5.9
95.04961	1.4
95.08607	9.0
97.06530	0.6
101.06020	3.4
103.05409	0.5
105.07026	7.9
107.04993	0.5
107.08595	18.4
109.06494	1.8
109.10148	3.7
117.06986	2.0
119.08577	19.5
121.06517	3.2
121.10150	12.2
122.80765	0.4
123.08079	4.3
123.11681	1.0
129.06950	0.6
130.07805	0.8
131.08556	4.8
133.10132	18.5
135.08044	2.5
135.11656	2.4
137.09616	3.0
143.08536	2.6
144.09309	1.3
144.10466	0.4
145.10126	23.1
147.08049	2.3
147.11673	5.3
149.09596	3.8
149.13235	0.7
155.08502	0.5
156.09319	0.6
157.10138	2.9
158.10893	2.6
159.08041	1.3
159.11691	15.3
161.09644	3.2
161.13225	2.2
163.11162	0.9
163.14806	1.1
165.09134	2.1
167.10670	3.0
169.10118	0.9
171.11682	1.5
172.12450	3.9
173.09607	1.5
173.13252	2.5
175.11134	1.3
175.14835	6.4
177.12767	1.3
177.16365	2.8
185.13191	2.1
187.14815	23.0
188.15146	0.5
189.12718	1.2
189.16399	1.9
191.14366	0.6
197.13284	1.3
199.14786	0.7
199.98311	0.4
201.12772	1.5
203.14313	14.8
205.15891	2.9
211.14885	0.6
213.12732	1.2
213.16389	0.7
215.14311	21.9
216.14612	0.7
217.15877	4.4
225.16245	0.7
229.15958	0.7
231.17429	0.6
233.15363	93.2
234.15703	1.8
235.16919	1.7
251.16273	0.5
261.18411	0.7
275.72522	0.5
325.25076	2.1
329.24997	0.5
337.25342	2.7
343.26373	4.3
355.26331	10.4
356.27112	0.7
373.27365	100.0
374.27740	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	474.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.0
57.03436	7.8
57.06819	0.6
57.07073	7.3
59.04984	1.5
61.02910	1.1
69.03063	1.1
69.03426	13.8
69.61373	2.1
71.04964	0.5
73.02916	8.8
73.31902	0.5
75.04441	0.5
81.03419	0.9
83.08611	1.9
85.02402	0.8
85.02901	12.3
86.09692	0.9
87.04458	9.5
89.06025	22.3
97.02896	13.4
99.04456	0.7
101.09657	8.8
107.06348	1.2
107.07064	22.6
109.02882	0.8
113.02302	0.6
115.03924	16.0
117.95744	0.5
118.50511	0.5
127.03903	2.3
131.50417	0.5
133.04959	11.2
135.04402	0.7
138.72240	0.4
139.41759	0.5
145.04953	2.4
145.64845	0.6
147.04401	0.7
150.07602	1.0
162.09227	0.5
163.03864	2.1
163.06021	0.9
163.13286	100.0
164.13620	1.1
241.06987	0.8
275.21802	0.6
474.20123	7.1
474.24490	3.2
475.20447	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.3
53.03938	1.0
55.01861	0.8
55.05258	0.4
55.05513	7.8
57.03439	6.9
57.07076	1.2
58.61856	0.3
62.06065	0.5
65.03936	1.0
66.02679	0.3
67.05502	16.7
69.03419	0.6
69.07069	7.1
70.69660	0.3
71.04973	0.9
73.25524	0.3
77.03920	0.9
79.05494	21.1
80.05836	0.3
81.07058	15.5
83.05004	0.7
83.08631	2.8
85.06533	0.6
86.09692	0.9
91.05479	20.0
93.07043	24.2
94.07340	0.4
95.04961	3.2
95.08607	11.0
97.06528	1.0
97.10168	1.1
98.06062	0.6
98.98483	1.0
101.06096	0.3
103.03965	0.3
103.05497	0.4
105.04527	1.2
105.07027	17.7
106.07345	0.4
107.08595	11.2
109.06520	0.9
109.10158	4.3
111.08098	0.4
111.11732	0.3
117.07028	4.5
119.08580	13.0
121.10140	7.1
123.08088	0.6
123.11714	0.8
129.05467	1.3
129.07004	2.1
131.08574	5.0
132.10257	0.5
133.10124	8.6
135.08060	0.5
135.11688	4.5
137.09607	1.1
143.08566	2.1
145.10127	4.2
147.11684	5.3
149.09613	0.8
149.13245	2.4
151.11241	0.4
155.08540	0.4
157.10156	1.7
159.11676	2.8
161.13223	3.4
163.14844	0.7
165.09111	5.8
165.10414	0.5
171.11694	2.0
173.13336	1.5
175.11197	0.4
175.14822	1.2
185.13249	1.3
187.14809	0.5
198.05266	0.8
199.14876	1.1
213.16479	0.5
216.06355	1.2
217.19528	0.8
231.20938	0.4
235.16841	0.3
241.19485	2.0
243.20984	0.6
259.20538	2.7
275.19934	0.4
277.21704	0.8
302.24731	7.2
315.23108	2.2
333.24222	100.0
334.24503	4.3
401.29968	0.4
474.25879	0.5
474.39532	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22593	0.4
55.01850	0.5
55.05487	1.7
56.82105	0.5
57.03440	4.2
57.07077	7.5
58.06602	31.5
59.07385	8.6
60.08166	7.5
67.05515	2.9
67.05802	0.7
69.07040	1.4
69.59457	0.5
71.08639	4.5
75.04470	3.1
79.05460	1.4
81.07046	2.7
83.08588	1.6
84.14751	0.5
85.02914	2.5
85.10152	2.3
87.04479	3.7
91.05478	0.7
93.05444	0.7
93.07008	0.7
95.08595	2.9
97.10102	0.6
105.05501	1.2
107.08592	0.7
109.10114	1.5
123.49352	0.6
131.07004	1.4
144.10191	8.0
162.11192	1.1
191.59993	0.7
200.12723	0.9
218.13916	1.0
236.14925	80.0
237.15300	1.1
304.77478	0.6
313.27451	1.6
365.80658	0.5
412.37579	0.9
456.36850	23.6
457.37018	0.9
474.37927	100.0
475.31879	1.0
475.38251	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	475.113
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65258	0.7
56.96561	16.7
68.57609	0.7
68.78093	0.7
69.03400	1.0
70.43005	0.7
70.72686	0.9
81.03433	1.0
84.96040	3.9
85.02906	1.1
97.02836	1.1
97.96810	2.0
98.97584	100.0
101.00896	0.9
102.97077	0.8
105.93407	0.8
110.96809	0.9
110.97569	15.0
111.44766	0.8
112.99127	2.9
115.97813	1.2
116.98621	32.0
124.99139	0.8
128.98607	13.8
131.00154	2.6
131.01933	0.8
134.99657	5.4
135.04379	1.1
138.94778	0.8
140.98659	1.3
143.00159	2.9
143.01826	1.5
144.97964	1.0
146.99655	6.1
157.01715	1.4
158.99646	18.5
161.01215	3.7
161.02866	1.2
163.03899	4.9
170.99669	4.0
173.03017	0.9
177.00725	15.5
183.03270	0.8
189.00742	3.4
191.03731	1.1
193.01753	1.6
193.98840	1.7
195.03281	1.1
197.01245	1.2
197.06635	1.2
201.00751	2.2
203.04034	1.5
209.04834	3.0
211.02870	1.3
211.99944	2.6
216.98711	1.5
217.03920	1.0
219.01782	26.5
220.00363	2.1
221.05040	2.0
223.02748	2.9
226.01456	2.7
227.02405	3.9
227.05772	4.1
235.02769	13.8
237.02792	35.7
238.01398	5.9
241.03833	7.4
245.03329	1.7
250.97316	0.8
251.02200	4.5
253.03842	14.9
255.01787	2.1
255.05511	1.5
256.02509	2.2
259.04935	1.6
260.02039	2.2
265.03735	1.7
268.44260	0.8
269.03329	13.2
271.04834	25.6
274.97433	0.9
277.00989	0.7
277.03809	14.7
279.05417	2.4
287.04468	2.1
289.05957	13.5
295.04868	17.5
311.04413	6.5
313.05740	9.7
331.06897	2.5
334.47745	0.9
337.06033	2.3
343.07025	1.1
355.06827	6.3
361.08200	1.0
364.04587	1.1
367.06873	1.2
373.08057	8.6
391.09116	1.5
396.70709	0.9
397.07983	4.3
415.09122	74.8
416.09253	2.2
433.10199	33.8
475.04260	1.9
475.11032	20.9
493.05295	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.113
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	15.6
59.76015	0.6
68.96581	0.8
71.43335	0.7
81.03426	1.4
84.96027	4.1
85.02904	0.7
86.09691	1.1
97.02918	1.3
97.96797	1.9
98.42191	0.8
98.97582	100.0
110.97571	16.2
110.98299	1.3
112.99174	1.7
116.98623	31.3
119.01942	0.8
124.99062	1.3
128.98616	13.9
129.03847	0.7
131.00188	2.3
131.01852	1.0
134.99657	5.9
136.07646	0.8
140.00203	0.7
140.98627	1.8
143.00153	1.8
143.01906	1.1
144.97983	0.9
146.99690	4.4
149.01205	1.2
158.99648	16.7
161.01233	1.9
161.02956	1.1
162.99203	1.1
163.03909	2.8
170.99681	3.9
171.03384	0.9
171.08849	0.8
173.02966	0.8
177.00716	13.0
179.00183	1.1
183.03343	1.1
189.00769	2.4
191.03789	1.7
193.98909	1.7
194.99590	0.9
195.01750	0.8
201.00681	3.6
203.02385	0.8
203.04117	1.0
208.00546	1.3
209.04890	3.9
211.02859	1.6
211.99937	2.8
213.00842	1.9
213.04337	1.4
216.98669	1.7
217.03918	0.8
218.99649	1.4
219.01782	22.1
220.00456	1.9
221.05031	1.0
223.02821	2.8
226.01457	2.6
227.02339	4.0
227.05789	3.6
231.02048	1.3
235.02747	12.6
235.05069	0.9
237.02768	27.5
238.01437	4.7
241.03831	5.3
242.03810	0.8
243.05489	0.7
245.03421	1.6
251.02303	4.4
253.03828	17.5
255.01848	1.9
255.05595	1.2
256.02460	2.9
259.04984	2.0
260.02087	1.2
269.03323	10.7
269.06622	1.2
271.04883	23.4
273.03134	0.8
274.03595	1.0
274.97571	1.3
277.03848	8.9
278.03040	1.0
279.05420	2.2
282.99377	0.7
283.05258	0.8
287.04474	1.6
289.05975	15.0
295.04880	15.6
311.04346	8.5
313.05853	9.6
331.07089	3.7
337.06000	3.2
343.07062	1.1
355.07037	5.5
367.06989	0.9
373.08130	9.5
385.08118	1.6
386.78165	0.8
391.09055	1.2
397.08179	3.5
415.09122	66.1
416.09479	1.7
433.10187	35.9
434.10440	1.4
451.11035	1.3
475.04282	0.6
475.11038	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	475.342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36127	0.3
55.05505	2.2
57.07070	2.2
59.04993	0.3
61.02884	0.3
65.03938	0.3
67.05497	2.9
69.07070	3.5
69.69671	1.0
70.32377	0.3
77.03872	0.3
79.02183	0.3
79.05479	2.2
81.06566	0.3
81.07051	5.2
83.04966	0.4
83.08621	3.5
85.06528	1.1
87.45907	0.3
91.05472	4.3
93.07047	5.8
95.04955	1.2
95.08028	0.5
95.08608	8.6
95.27814	0.3
97.06532	0.3
97.10152	0.5
98.06036	0.4
103.05435	0.3
105.06345	0.5
105.07029	7.7
107.04939	0.4
107.08591	20.2
109.06499	1.7
109.10156	3.9
111.08040	0.4
117.06982	1.5
119.08577	19.3
121.06510	3.6
121.09267	0.7
121.10140	13.5
123.07256	0.4
123.08072	5.8
123.11689	1.2
125.09638	0.5
128.06236	0.6
129.06960	0.9
130.07727	1.0
131.08559	4.4
133.06483	0.6
133.10126	17.2
135.08063	3.0
135.11676	2.8
137.09613	3.2
142.07825	0.5
143.08543	2.5
144.09322	1.1
145.10121	22.7
146.10576	0.3
147.08034	2.5
147.11674	5.6
149.09621	3.6
149.13251	1.1
151.11162	0.5
155.08487	0.5
157.10112	4.0
158.10922	3.0
159.08099	1.5
159.11688	14.3
160.12219	0.3
161.09648	3.0
161.13251	3.3
163.11154	0.7
163.14781	1.1
165.09113	2.5
167.10687	2.3
169.10143	0.5
170.10840	0.4
171.11670	1.3
172.12469	4.9
173.09666	1.3
173.13257	2.6
175.11212	1.9
175.14819	6.7
177.12727	1.0
177.16371	2.7
182.10913	0.6
183.11757	0.3
185.09674	0.3
185.13278	1.9
186.10378	0.4
187.14816	24.6
188.15125	0.8
189.12709	1.1
189.16402	2.2
191.10629	0.3
191.14293	0.6
197.13231	1.6
199.14749	0.4
200.12009	0.4
201.12724	1.2
201.16458	0.4
203.14310	16.5
205.15892	2.9
211.14818	0.5
213.12720	1.0
213.16267	0.4
215.14307	22.9
216.14613	0.6
217.15857	4.8
221.13422	0.3
223.14708	0.5
225.16409	0.3
229.15852	0.8
233.15358	94.7
234.15721	1.8
235.14922	0.3
235.16885	2.1
241.15866	0.3
243.17477	0.4
251.16344	0.5
261.18491	1.0
304.26233	2.1
309.25677	0.3
311.23541	0.4
319.24078	0.5
325.25177	1.9
329.24826	0.4
337.25226	3.5
343.26303	4.2
355.26291	11.0
373.27356	100.0
374.27728	3.8
475.25955	0.4
492.31885	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80903	0.6
55.05515	1.4
57.07062	1.4
67.05486	2.1
69.07055	2.6
69.11539	4.2
69.27417	0.6
79.05478	2.0
81.07053	4.9
83.04961	1.1
83.08589	2.3
85.06528	1.6
91.05459	2.6
93.07034	5.5
95.08601	5.9
97.06479	0.8
105.07035	7.0
107.04947	0.6
107.08593	13.1
109.06539	3.0
109.10123	3.0
117.07001	0.9
119.08582	12.1
121.06493	1.8
121.10149	13.9
123.08065	1.6
123.11656	1.1
129.06999	0.7
130.07793	0.8
131.08569	3.8
133.06508	1.5
133.10135	10.6
135.08090	1.5
135.11697	3.6
137.09598	2.5
139.94772	0.8
143.08551	2.2
144.09314	1.9
145.08978	1.3
145.10129	25.9
147.08063	1.8
147.11710	3.4
149.09592	1.8
149.13272	1.6
157.10138	2.6
158.10922	3.3
159.11702	17.9
161.09615	1.1
161.13231	3.7
163.11182	1.4
163.14824	1.5
165.09119	1.9
171.11650	1.4
172.12489	3.6
173.09677	0.8
173.13245	1.9
175.11153	1.4
175.14793	3.6
177.12805	1.4
177.16360	4.9
185.13298	1.4
187.14818	19.3
189.12749	6.0
191.14334	4.1
197.13196	0.8
203.14319	2.8
205.15958	1.1
215.14323	11.8
217.15889	1.4
229.15852	1.0
233.15364	94.3
234.15703	2.3
266.58450	0.7
311.23608	1.3
326.42154	0.7
329.24762	2.7
337.25089	2.1
355.26288	6.4
373.27371	100.0
374.27847	4.3
457.33139	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	475.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59597	0.2
55.05505	1.5
57.07062	0.3
64.54181	0.2
67.05501	4.7
69.03415	0.2
69.07072	2.6
71.04959	0.2
71.08720	0.2
79.05479	0.9
79.08768	0.2
81.07055	5.8
83.04984	0.5
83.08173	0.2
83.08621	1.4
85.06522	0.4
91.05479	1.2
93.07048	3.0
95.04980	0.4
95.08601	5.2
97.06533	0.3
97.10155	0.9
102.17968	0.2
105.07036	1.0
107.04937	0.3
107.08591	3.2
109.06509	0.6
109.10152	6.2
111.08037	0.2
111.11708	0.4
117.82315	0.2
119.06120	0.2
119.08571	3.3
121.06497	0.3
121.10152	2.6
122.07293	1.7
123.08066	1.0
123.11726	2.0
125.09623	0.7
133.10117	0.7
135.11719	1.0
137.09610	12.7
137.13229	1.2
139.11183	0.7
147.11678	0.6
149.02341	0.5
149.09648	1.5
149.13271	2.6
151.14851	0.4
153.09120	0.3
159.11684	0.5
161.13284	0.4
161.90511	0.2
163.11214	0.3
163.14813	1.4
165.09109	100.0
166.09442	1.8
167.07109	0.2
167.10661	2.8
167.14313	0.8
169.12108	0.3
173.13258	0.3
175.11130	0.4
175.14798	0.3
177.09138	0.4
177.12636	0.2
179.10678	0.7
185.11736	2.4
189.09100	0.2
189.12720	0.4
190.09886	0.2
191.10590	0.3
191.14220	0.2
201.16443	0.3
203.10658	0.9
205.12228	2.4
209.15332	0.4
213.16380	0.2
223.16896	0.4
227.82680	0.2
235.16913	0.5
245.15503	0.3
246.04333	0.2
249.18565	0.4
273.36905	0.2
275.23703	0.3
277.24979	0.2
287.23758	0.4
293.24689	0.5
301.21649	0.6
305.24734	5.9
311.25751	0.9
323.25861	1.3
356.77634	0.2
439.31964	1.1
457.33072	2.0
475.19913	1.1
475.25720	0.4
475.32886	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.5
57.03400	0.4
61.02926	0.8
62.28220	0.4
64.33881	0.3
67.05514	0.3
68.46898	0.4
69.03432	3.0
71.04986	0.8
73.02923	1.2
74.99074	0.5
78.03435	0.7
79.05477	0.7
80.05008	1.4
81.03424	1.9
81.04540	3.6
85.02900	7.3
91.03971	0.4
95.04977	1.8
96.04491	4.7
97.02892	3.3
99.04447	0.7
100.02184	0.4
101.06042	0.8
102.98522	1.3
103.05479	0.6
106.06566	3.5
107.04969	1.3
108.04467	0.7
109.02856	1.2
109.06472	0.7
118.03200	0.7
120.99549	3.0
122.02380	1.6
122.07150	6.2
123.04426	1.0
123.07892	0.8
124.03951	100.0
125.02354	1.5
125.04297	1.0
126.05527	0.6
127.03934	1.4
130.06516	0.5
131.04904	0.6
135.04410	1.0
138.00078	1.1
140.03419	3.1
145.04938	1.6
147.04402	1.1
148.03918	0.8
148.07555	2.7
150.05498	1.4
151.03896	2.1
152.01654	7.5
158.06038	0.5
163.03909	5.0
164.03453	1.6
164.07098	0.5
165.05470	0.5
165.78822	0.4
173.20844	0.4
176.03470	2.4
176.07047	3.9
177.05415	0.5
178.05025	0.7
179.03206	0.4
180.01169	1.0
180.02898	0.5
180.04807	0.7
182.02693	1.3
194.04454	2.7
198.02214	3.1
204.04778	0.4
206.08023	0.6
220.09625	0.8
222.05829	0.5
226.01674	19.9
226.05292	0.7
227.01999	0.6
228.03214	0.8
244.02753	13.5
245.02553	0.4
245.10344	5.0
250.05367	1.6
264.08655	3.8
268.06393	7.2
278.04877	0.7
289.11145	0.6
296.05872	53.1
297.06183	2.2
314.06924	13.9
315.14609	0.6
388.45499	0.4
428.15640	0.4
476.17816	0.4
476.25681	0.5
477.19812	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.0
55.42856	0.5
59.09769	0.5
61.02914	1.0
69.03431	2.5
69.85538	1.5
73.02904	1.2
74.99066	0.9
78.03440	0.6
79.05514	0.6
80.05014	0.9
81.03426	1.2
83.01327	0.6
85.02908	5.4
86.00709	0.5
87.04465	0.6
92.55711	0.5
95.04983	1.4
96.04488	3.9
97.02908	3.1
98.23330	0.8
100.02229	0.8
102.98519	1.1
106.06557	3.7
107.04961	1.5
120.99585	3.5
122.02400	2.1
123.04453	0.8
124.03951	100.0
125.02356	1.2
125.04261	1.1
126.05489	1.1
126.77781	0.5
127.03905	0.7
140.03394	3.3
145.04944	0.9
147.04402	1.7
148.03897	0.9
148.07579	2.5
150.05542	1.0
151.03955	2.6
152.01646	0.6
152.07129	0.8
163.03955	0.9
164.03450	1.3
176.03400	2.6
176.07053	3.3
177.05414	0.6
180.01151	1.6
180.02838	1.2
182.02777	1.0
194.04482	4.0
194.08064	0.8
198.02208	2.3
206.08180	0.7
216.10716	0.6
220.09702	0.7
226.01669	18.7
226.05246	1.2
227.04028	0.6
244.02756	15.0
246.07564	1.1
250.05380	1.4
264.08698	3.4
268.06378	7.5
278.04755	1.1
296.05869	58.4
297.06174	1.5
314.06909	16.0
315.07117	0.8
322.55927	0.6
369.65750	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14057	0.9
53.03949	1.0
55.01855	2.3
55.05521	1.4
57.03434	8.0
58.44143	0.9
59.04993	1.9
60.04519	1.7
66.16986	0.9
69.03431	26.0
71.45341	1.0
72.08134	1.1
73.02918	1.2
81.03420	1.8
82.97464	0.9
83.04993	1.0
85.02902	21.4
86.09696	1.3
87.03974	1.4
87.04474	19.0
91.03936	1.2
91.05482	4.4
92.40554	0.8
95.04971	1.1
97.02895	26.5
99.04433	1.1
101.06049	1.8
105.15623	1.0
106.06519	1.3
109.02898	1.7
115.03928	30.2
117.03397	1.6
119.04951	17.6
124.03952	32.4
127.03909	3.3
133.04970	29.7
133.06496	2.3
135.04416	2.4
143.04988	1.3
145.02812	2.2
145.04953	2.8
147.04408	100.0
148.04834	1.9
148.07616	1.1
150.07594	5.8
151.03879	1.7
152.01651	5.8
161.05986	1.7
163.03903	25.3
165.05475	49.3
166.05814	1.4
171.04449	2.7
176.06958	1.3
177.05437	2.3
181.04985	1.6
189.05449	5.4
193.04332	1.1
194.04446	1.9
207.06493	7.6
226.01706	7.3
234.25481	0.9
243.06543	2.8
244.02722	4.2
246.13095	1.0
261.07529	1.2
268.06500	1.2
272.94226	1.2
279.08627	6.1
279.11627	1.5
296.05853	13.1
307.07822	1.3
314.06903	4.3
325.09323	1.5
344.55615	0.9
350.37762	1.0
476.16302	3.2
476.25598	1.2
477.19107	2.4
496.30157	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
65.31211	0.4
69.03432	1.0
70.60285	0.7
71.05013	0.4
74.06062	0.6
79.05495	0.5
81.03422	3.2
85.02896	1.5
89.03921	4.4
89.06003	0.4
90.07829	0.4
95.04929	0.4
97.02889	0.7
99.04462	2.0
107.04974	1.9
109.02872	0.8
115.03999	0.4
117.03381	5.6
117.05506	1.1
124.64468	0.3
127.03880	0.6
131.04883	0.6
135.04425	11.4
138.52321	0.3
145.01709	0.6
145.02849	11.6
147.04414	2.6
148.04713	0.4
163.03902	100.0
163.39798	0.3
164.04247	1.4
181.04948	4.5
232.33791	0.4
279.08566	0.9
302.92133	0.4
307.08185	3.3
325.09097	5.5
452.88776	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38963	0.3
50.84016	0.3
53.03923	0.8
57.03434	0.5
59.04982	0.3
63.02368	0.5
69.03419	1.4
69.92238	0.3
70.40295	0.4
70.40623	0.4
71.04992	0.5
73.46634	0.3
74.06084	0.8
74.09744	0.3
79.05474	0.6
81.03410	3.6
85.02900	1.7
86.09726	0.3
89.03904	2.7
91.05487	0.6
95.04967	0.5
97.02870	0.8
99.04450	5.6
101.06019	0.4
107.04945	2.1
109.02855	1.8
115.03941	0.4
117.03375	5.6
117.05484	0.8
119.04923	1.2
127.03822	0.3
131.69756	0.3
135.04414	11.2
145.02847	10.3
147.04393	5.0
147.07822	0.4
148.04755	1.6
148.30589	0.3
163.03896	100.0
164.04228	1.2
179.03368	1.1
181.04958	4.2
279.08710	0.7
307.08081	4.5
325.09189	7.8
338.07550	0.4
403.34964	0.3
458.36142	0.4
476.16833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01867	1.8
57.03434	25.0
59.04998	5.0
59.87415	0.5
60.04527	3.1
61.02919	2.3
69.03426	82.3
69.07049	0.5
69.90884	1.1
69.91253	1.0
70.03770	0.6
71.01350	0.9
71.04980	0.9
71.86128	0.5
73.02914	4.7
75.04482	1.6
79.05499	0.9
81.03417	3.5
83.01386	0.5
83.04989	0.9
83.11644	0.5
85.02899	60.7
86.03268	0.5
87.04462	54.6
88.04798	0.5
91.03971	0.9
91.05468	0.7
95.04961	0.9
96.04504	0.9
97.02886	62.9
98.06048	0.7
99.04458	2.1
103.03912	0.7
103.05473	0.7
105.07022	8.1
107.04996	0.6
109.02855	3.5
109.06532	0.6
115.03922	93.6
116.04273	1.1
123.04443	0.6
124.05202	10.2
127.03899	7.8
129.06972	1.7
131.04909	0.7
133.04958	100.0
133.06398	6.1
134.05305	1.2
137.05960	16.1
139.03937	0.9
144.06541	1.6
145.04953	10.6
145.06174	0.9
145.06552	0.9
150.07603	12.3
151.03888	0.8
152.01657	0.5
157.06483	1.6
161.09650	0.7
162.07693	1.3
163.03822	1.1
163.05997	1.9
165.09106	39.0
166.09468	0.6
169.04924	1.6
177.09114	1.5
177.53134	0.5
180.08681	1.5
187.05936	1.1
189.09105	4.7
201.09114	4.1
203.10640	0.6
205.06921	0.6
205.08647	0.9
207.10143	3.8
223.05975	1.1
229.06850	0.7
230.91519	0.5
231.10172	2.2
241.07132	3.0
243.10155	3.0
259.08133	3.8
261.11218	1.3
276.10730	0.6
277.09161	2.2
294.11899	0.6
295.10272	1.6
312.13129	0.6
476.32565	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85805	1.8
55.01867	2.7
55.05520	1.9
56.27543	1.9
57.03438	40.1
59.04998	3.5
59.45832	1.9
60.04520	4.0
61.02920	13.2
64.15755	1.7
67.05510	3.0
69.03432	76.9
70.49702	4.2
71.01353	4.8
73.02922	71.9
75.04462	2.2
79.05481	4.2
81.03422	6.3
81.07025	2.1
83.05001	6.8
84.04539	2.1
85.02908	76.4
87.02699	3.4
87.04468	39.0
91.03933	3.0
91.05488	2.7
95.04993	3.0
95.06071	1.6
95.08566	2.4
97.02895	78.1
99.04479	2.5
103.03946	1.8
103.05461	2.8
105.07031	21.5
109.02874	3.2
109.05580	1.8
111.78798	1.7
115.03930	92.9
119.04982	2.0
119.08585	2.2
127.03936	14.7
129.92963	1.7
132.06554	2.6
133.03194	7.8
133.04968	68.3
133.06471	29.1
137.05974	39.7
144.06592	5.8
145.04979	23.5
145.06522	2.6
145.10107	2.1
150.07642	10.2
151.07614	4.3
162.07692	1.8
163.03951	2.0
163.06027	4.5
163.07399	2.6
164.10770	5.4
165.07700	4.7
165.09116	100.0
166.09439	3.3
166.56465	1.8
175.07559	2.8
177.09091	5.4
180.08696	5.9
184.07558	2.9
189.09125	3.7
198.96991	1.7
199.43784	1.9
201.09132	2.4
206.05780	1.7
207.10204	4.6
223.05928	2.6
241.07146	6.9
243.10052	2.1
244.09703	3.0
259.08179	4.4
261.11292	2.7
287.05524	7.2
295.10120	2.3
296.13187	10.3
476.17618	3.4
476.32693	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	476.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36769	0.6
53.03955	0.8
55.01867	2.6
56.61578	0.7
56.62514	0.6
57.03436	22.7
59.04996	4.8
60.04522	3.0
61.02920	3.0
65.44598	0.6
69.03428	75.0
70.03744	0.7
71.01328	0.9
71.04960	0.7
71.37167	0.7
73.02912	5.6
73.47179	0.6
75.04467	1.2
76.56145	0.7
81.03414	3.1
84.04488	0.8
85.02904	57.4
87.04466	56.7
87.37159	0.6
91.03977	1.3
97.02892	65.0
99.04456	1.6
103.03932	1.1
105.07051	7.8
109.02874	3.3
109.06528	0.7
112.12751	0.7
115.03929	91.1
116.04336	1.1
123.04424	0.8
124.05216	9.4
127.03901	7.1
129.06946	1.3
133.04964	100.0
133.06403	7.6
137.05975	16.5
144.06555	2.2
145.04961	13.0
145.06157	1.1
145.06564	0.7
150.07614	14.4
150.50337	0.6
152.63690	0.7
157.06471	1.0
161.04385	0.8
162.07593	1.8
163.06032	1.7
165.09111	39.7
169.05020	1.6
172.19501	0.6
175.07527	0.8
177.09154	1.4
180.08708	2.1
187.06030	1.5
189.09111	4.8
201.09135	3.5
205.08775	0.8
207.10126	3.1
223.06032	0.9
229.07069	0.9
231.10162	1.8
241.07051	3.0
243.10146	2.5
259.08078	4.0
261.11304	1.7
277.09109	2.1
295.10132	1.2
415.13663	0.7
428.32928	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.05259	0.4
55.05510	6.2
57.03441	6.9
57.07063	1.3
61.50789	0.4
62.06078	0.8
65.03931	1.0
67.05502	32.7
69.07063	5.8
69.59236	1.3
69.59602	0.7
71.04965	0.6
74.11685	0.4
77.03893	0.4
79.05489	16.3
81.07053	29.0
81.98064	0.4
83.04971	0.7
83.08610	2.3
85.06525	0.4
91.05476	9.3
93.07038	19.9
95.04951	1.9
95.08601	20.1
97.06535	1.1
97.10159	1.0
98.06080	0.7
98.98506	0.6
99.08087	0.5
105.04525	1.0
105.07025	6.2
105.07710	0.4
107.08588	9.7
109.10150	6.0
111.08057	0.8
117.07019	2.8
119.08556	3.4
121.10136	4.9
123.08092	0.6
123.11700	2.5
124.01619	0.6
129.05444	0.5
131.08557	4.9
133.10132	2.9
135.08066	0.3
135.11681	4.9
137.13246	0.8
145.10100	2.6
147.11679	1.8
149.13240	2.7
159.11687	1.4
161.13274	1.2
163.11099	0.5
163.14822	1.4
173.02191	0.4
173.13176	2.2
175.14862	0.6
177.12729	0.5
187.14821	1.0
196.08517	0.4
198.05278	0.7
201.16359	0.5
212.59882	0.4
216.06354	0.8
243.21072	2.1
261.22144	2.4
304.26309	5.0
317.24701	1.4
335.25778	100.0
336.26089	2.8
405.73251	0.4
437.56854	0.4
476.27673	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
54.12586	0.3
55.01866	0.6
55.05296	0.4
55.05517	4.5
57.03434	1.0
61.40508	0.3
62.06089	1.3
62.30135	0.3
63.69271	0.3
65.03947	0.6
67.05506	15.3
69.07076	4.1
70.72596	0.6
72.04514	0.6
79.05498	6.6
81.07056	12.7
83.08615	1.7
85.05289	2.5
86.06041	0.7
91.05466	2.1
93.07043	6.2
95.04952	0.6
95.08604	8.9
97.10174	0.6
98.06052	11.1
98.98482	1.1
105.07029	1.6
107.08588	3.9
109.10162	3.2
110.57841	0.3
112.07600	1.2
119.08575	1.2
121.10146	2.0
123.11718	1.3
124.07563	0.6
125.08438	0.5
131.08568	0.6
133.10117	0.8
135.11705	0.9
138.09079	0.7
140.10692	0.5
147.11668	0.5
149.13216	0.5
152.10703	0.5
154.12280	0.6
161.13290	0.6
166.12375	0.5
168.13812	0.8
196.16948	0.8
208.16940	0.8
222.18558	1.0
224.19763	0.4
261.22186	0.4
266.01529	0.4
304.26343	100.0
305.26672	3.4
335.25800	16.3
346.53958	0.3
493.22281	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60124	0.3
53.03939	0.9
55.01836	0.4
55.05259	0.6
55.05510	9.3
57.03435	8.1
57.07059	0.9
57.58350	0.4
62.06079	0.7
65.03931	1.7
67.05502	32.2
69.07066	8.6
69.73643	0.3
71.04984	0.8
72.46970	0.4
77.03921	0.5
79.05489	15.5
81.07053	26.6
83.04971	0.6
83.08610	2.8
85.05277	0.5
85.06519	0.7
91.05476	7.6
93.06451	0.7
93.07040	15.8
95.04967	1.7
95.08601	19.0
97.06517	0.9
97.10176	0.6
98.06052	2.1
98.22601	0.7
98.98482	1.1
105.04520	0.7
105.07023	5.6
107.08586	7.9
109.06527	0.4
109.10151	7.5
117.07012	1.5
119.08577	3.9
120.08882	0.4
121.10141	6.5
122.10484	0.5
123.08051	0.9
123.11723	2.0
124.01633	0.5
131.08513	2.7
133.10133	2.7
134.10445	0.4
135.11696	2.8
137.13205	0.5
143.06740	0.4
145.10103	2.3
146.10468	0.6
147.11684	1.4
149.05835	0.4
149.13235	1.1
159.11720	1.8
161.13234	1.1
163.14807	0.7
164.40634	0.3
173.13225	1.1
175.14798	0.7
187.14786	0.9
188.15068	0.6
203.14352	0.7
204.14630	0.7
215.14363	1.1
216.06305	0.5
216.14592	0.7
233.15405	3.6
234.15756	3.5
261.22131	0.9
304.26328	16.7
305.26740	0.7
335.25778	100.0
336.26151	3.8
356.26321	0.7
358.14151	0.4
373.27591	2.5
374.27670	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83163	1.8
54.62995	1.7
55.05522	8.5
57.03430	4.7
57.07095	2.1
62.06092	23.0
67.05157	2.9
67.05507	34.6
69.07070	7.3
79.05502	18.0
81.07060	35.0
81.07515	3.7
82.25039	2.0
83.08618	4.2
91.05482	14.9
93.07054	22.2
95.04967	3.2
95.08615	19.1
97.06476	1.9
97.10168	2.6
98.06110	1.8
98.98473	6.5
105.04568	2.3
105.07026	11.7
107.08587	10.8
109.10163	7.5
113.00024	1.7
117.07001	4.9
119.08595	7.0
121.10155	8.9
123.11674	4.1
128.99272	1.7
131.08557	7.3
133.10184	4.1
133.99022	2.0
135.11716	6.2
143.81549	2.1
145.10133	4.2
147.11629	4.1
149.13245	4.1
155.01003	2.4
159.11700	3.3
161.13272	3.5
163.14818	3.0
165.08966	2.0
168.57164	1.8
173.82397	1.8
174.29950	2.1
177.12653	2.3
184.90189	1.6
196.10071	2.4
216.06366	3.1
217.74670	2.1
243.21138	5.4
261.22131	11.6
291.19629	3.0
304.26288	9.0
317.24796	6.7
335.25797	100.0
336.26080	3.4
355.06244	1.7
365.23608	2.2
415.22302	4.5
458.26581	4.7
476.27695	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	477.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.2
53.03922	0.2
63.02370	0.3
66.78095	0.2
67.05502	0.2
69.03441	1.1
70.06582	0.3
71.04973	0.4
79.05489	1.0
81.03420	1.1
85.02898	1.5
87.04478	0.2
89.03920	4.2
89.06022	0.5
91.05476	0.5
95.04951	1.0
97.02868	0.6
99.04417	0.4
105.04482	0.3
105.07006	0.2
107.04957	1.8
109.02882	0.5
111.04433	0.4
117.03384	6.1
117.07021	0.4
119.08579	0.2
123.04420	0.5
124.04026	0.2
125.02302	0.2
127.03912	0.4
131.04936	0.2
133.02850	0.4
133.04874	0.2
135.04419	14.9
136.04765	0.3
137.05971	0.5
145.02852	9.8
147.04420	0.3
147.08061	0.3
149.05949	0.4
151.03883	0.9
153.05460	0.3
163.03903	100.0
164.04187	1.9
165.05443	0.4
177.05431	0.3
181.04947	2.1
193.08607	0.2
195.04721	0.2
209.08205	0.2
217.57545	0.2
220.09689	0.4
238.10754	0.9
252.12186	0.2
261.07593	0.2
266.10208	0.3
279.08636	0.3
280.11801	0.2
284.11282	0.2
297.09409	0.3
298.12949	0.6
307.08051	1.0
315.10699	0.4
325.09180	2.2
335.09482	0.9
477.19443	12.1
478.19687	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06255	0.2
53.03934	0.3
69.03417	1.2
70.55825	0.3
70.56139	0.3
76.92406	0.2
77.03895	0.2
79.05499	1.0
81.03428	2.4
85.02895	1.1
86.19453	0.3
89.03918	4.3
90.14728	0.2
97.02894	0.6
99.04437	0.5
107.04955	1.5
109.02875	1.0
117.03378	6.8
135.04414	12.2
145.02847	10.9
145.03775	0.3
145.04762	0.2
160.23000	0.2
163.03900	100.0
164.04213	1.7
179.36656	0.2
181.04941	2.4
297.09659	0.3
307.08173	2.4
315.10947	0.3
325.09177	4.7
454.72964	0.3
477.19443	0.8
495.89374	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.3
60.01070	0.2
69.03426	1.3
79.05485	0.6
79.82986	0.2
81.03425	2.2
85.02904	1.6
89.03915	5.2
89.04450	0.3
95.04964	0.6
97.02901	0.6
98.97596	0.3
99.04443	0.7
105.06984	0.3
107.04950	1.5
109.02884	0.9
117.03378	6.6
127.03850	0.5
135.04419	13.0
145.01683	0.6
145.02850	10.7
163.03900	100.0
164.04254	2.2
181.04947	3.3
307.08179	2.3
325.09180	4.1
352.71921	0.3
363.37164	0.3
394.47150	0.3
477.13638	0.4
477.19482	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	477.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21358	0.4
54.03465	2.6
69.03375	0.7
70.80365	0.5
75.89992	0.4
81.04537	65.8
82.04868	0.5
82.05322	0.5
85.02898	0.9
88.52991	0.4
96.04485	0.7
96.50329	0.4
97.02869	0.5
99.04408	0.5
121.06497	0.5
122.07150	100.0
123.07958	12.2
124.03946	30.1
124.04872	1.1
125.04285	3.0
126.68307	0.4
140.03448	0.4
140.08191	0.5
147.04434	0.9
148.07539	1.1
149.08231	2.7
163.03870	3.9
167.06921	0.5
176.07074	1.9
217.10881	0.9
226.01768	0.9
244.02672	0.7
245.10329	74.3
246.10931	4.1
287.15009	0.7
296.05939	1.4
297.06235	2.2
297.13412	1.3
315.03925	0.6
315.07205	0.5
315.14514	8.8
316.14328	0.5
434.19342	0.5
477.19781	99.2
478.19977	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	477.3189
Annotation	(-)-Asbestinine 2
Peak:m/z	Relative Intensity
50.56115	0.6
50.93160	0.5
51.29519	0.5
60.97794	0.6
61.49135	0.4
70.93464	0.8
74.80647	0.5
110.49773	0.6
157.31070	0.5
179.06981	0.7
445.29285	14.7
445.63751	0.6
446.29630	0.6
447.30875	1.1
477.31857	100.0
478.32410	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	477.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72647	0.1
53.03936	0.2
55.05510	1.1
57.07064	0.2
59.30791	0.1
67.05164	0.2
67.05505	2.9
69.07072	1.1
69.62453	0.3
69.62799	0.2
71.04980	0.1
79.05508	0.3
79.59408	0.1
81.03409	0.1
81.07059	2.2
83.04974	0.3
83.08620	0.8
85.06526	0.1
91.05469	0.7
93.07037	0.5
95.04958	0.2
95.08611	1.6
97.06525	0.2
97.10163	0.5
98.23389	0.2
99.08069	0.1
105.07011	0.3
107.04936	0.3
107.08578	0.5
109.06512	0.2
109.10159	4.8
111.11718	0.2
113.09635	0.2
119.08581	2.3
121.06535	0.2
121.10137	0.3
122.07290	1.3
123.08115	0.2
123.11692	0.5
127.11198	0.2
133.10115	0.1
135.08092	0.1
135.11676	0.2
137.09616	9.5
137.13231	0.2
138.09990	0.1
149.13243	0.1
151.14793	0.2
153.09125	0.3
155.14360	0.1
165.09111	100.0
166.09485	1.5
169.16000	0.1
172.15234	0.1
175.11232	0.1
183.17456	0.3
189.12698	0.1
191.17941	0.2
197.19093	0.6
205.19611	0.1
209.19003	0.2
261.25833	0.3
273.44107	0.1
275.29959	0.1
279.26727	0.5
295.01495	0.1
459.34784	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	478.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65881	2.2
53.03946	3.4
55.01884	4.1
59.04984	2.2
60.28311	2.1
64.46722	2.0
67.05502	5.2
68.05029	7.1
69.03429	10.3
69.05842	2.8
70.02958	6.8
70.06596	17.9
70.76280	3.8
74.02438	27.1
79.05490	11.9
80.05025	9.9
81.03430	7.2
85.02896	19.1
87.04450	3.3
87.59268	2.3
89.03947	4.2
91.03924	2.9
91.05487	9.5
93.07032	5.4
95.04968	37.0
95.08627	4.0
97.02904	8.1
105.03361	2.6
105.07064	12.6
106.06562	6.5
107.04961	20.5
107.08559	4.2
109.02899	9.3
109.06513	11.0
114.05532	4.9
116.07096	10.6
117.03368	3.3
117.07018	3.0
119.08601	7.7
121.06480	5.1
123.04433	26.0
123.08091	8.8
125.02375	9.5
126.05523	16.6
126.29869	2.2
127.03850	5.0
129.06996	14.0
131.08559	4.9
132.08083	12.4
133.02873	3.4
133.06485	6.2
134.06010	2.6
135.04405	15.3
136.04738	4.6
139.03886	7.8
141.05463	4.2
145.02859	6.0
145.06473	3.4
146.03180	3.0
146.09589	3.6
147.04492	4.2
147.08040	14.8
149.06006	8.9
149.09634	3.1
150.05518	8.0
150.07988	2.7
150.09106	11.7
151.03915	53.5
151.05000	1.9
152.07085	6.4
153.05432	8.3
155.07072	6.2
157.06487	6.4
159.04408	4.2
159.08102	4.0
161.05968	3.2
163.03909	61.0
163.07474	2.9
164.04262	34.6
164.07094	3.6
165.05484	39.9
167.07018	17.0
174.09166	9.0
175.07512	11.1
177.05495	9.2
178.08681	10.7
181.04997	3.1
183.06577	2.2
185.06082	4.4
191.07048	4.7
192.10234	6.0
193.08646	10.7
195.06554	9.0
196.06088	4.9
202.08568	12.8
203.07098	5.5
207.10190	5.4
209.08098	7.1
214.07140	8.8
219.30988	2.3
220.06299	2.3
220.09674	45.0
221.08098	5.3
225.11351	4.3
227.09187	5.6
228.08678	10.0
234.11224	7.9
238.10738	78.2
248.09215	10.4
249.07619	16.9
250.82593	2.4
252.12381	22.1
266.10208	42.9
280.11810	22.1
281.10150	7.1
284.11295	37.4
298.12851	100.0
316.13904	23.8
478.19443	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	478.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.05511	1.2
57.03432	11.0
69.03436	2.7
71.04993	69.4
73.02928	3.1
74.47866	1.0
75.04479	5.8
78.97890	0.9
81.03400	2.2
83.04993	5.4
85.02905	100.0
87.04475	2.7
89.06052	3.0
90.80563	1.1
91.05492	1.4
91.33726	1.1
93.06969	1.0
95.04980	1.9
97.02891	6.7
99.04467	1.8
101.05988	1.2
105.07027	1.0
107.04967	1.1
109.02901	2.2
111.04453	5.6
121.02869	8.1
123.04431	1.3
124.07624	1.3
125.02354	1.6
127.03912	5.9
129.05476	49.8
137.05951	1.4
137.17381	1.1
145.04971	3.7
147.04498	1.7
147.06523	28.8
149.09596	1.2
151.03951	2.1
153.05458	12.3
159.04399	1.6
165.05548	1.2
165.07588	1.2
169.04987	1.2
170.08153	1.0
175.07535	1.2
185.11803	1.7
197.04527	1.3
203.06987	1.8
221.08047	2.2
249.07541	2.1
255.08643	2.8
267.08652	3.5
273.09717	2.2
281.10162	1.1
299.11090	1.4
373.29932	1.0
437.42743	1.0
457.34869	1.1
467.77335	1.0
478.16977	2.7
478.26498	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.3
62.04272	1.8
66.66110	1.7
67.05505	7.1
69.03429	2.8
69.28709	6.2
69.29120	4.5
71.02422	2.1
77.03918	2.8
79.05505	10.7
81.03422	2.8
81.07024	2.5
81.58607	2.2
83.01354	2.0
85.02927	4.7
89.20139	2.0
91.05466	11.4
93.07008	2.2
95.04966	24.8
97.02919	3.3
98.23469	4.3
105.03388	8.7
105.04532	3.8
105.07021	16.4
107.04930	9.5
109.02882	3.1
109.06512	3.3
115.05447	4.7
117.07039	5.5
119.08573	9.2
121.06544	2.3
123.04436	26.7
125.02361	2.2
128.06187	3.5
129.07019	23.2
131.04921	2.5
131.08559	4.5
133.02841	28.9
133.06468	19.6
135.04416	6.6
137.06009	4.1
141.07037	4.8
145.06525	3.4
147.04382	2.5
147.08055	20.0
148.66072	2.3
151.03912	33.5
151.07532	2.2
157.06496	27.4
159.08078	4.2
159.89902	2.3
161.02325	28.7
161.05980	13.3
162.05516	2.9
163.03912	2.6
165.05469	75.2
167.06989	2.5
175.03989	2.2
175.07555	22.3
179.03397	22.3
179.07133	3.0
183.06587	4.2
185.05974	23.0
193.04892	2.1
193.08476	4.6
197.04492	13.8
203.07033	29.1
211.06073	5.0
213.05463	14.9
221.08044	5.8
231.06516	16.3
245.08232	3.7
249.07565	20.8
265.97455	2.0
267.08658	13.3
281.10190	100.0
282.10358	2.2
316.13745	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	2.3
55.01869	2.0
57.03443	2.3
61.02943	3.5
67.05498	3.5
68.05038	3.6
69.03424	9.1
69.65375	5.6
70.02950	3.1
70.06593	12.2
71.04978	2.1
71.52281	1.6
72.25842	1.7
74.02435	19.6
79.05499	7.5
80.05016	5.2
81.03423	6.0
81.07069	2.1
85.02898	17.1
88.04006	2.7
89.03879	3.0
91.05485	7.4
93.07040	2.9
95.04970	29.5
95.08621	4.8
97.02906	6.1
99.04440	1.6
103.05522	2.1
105.07037	9.0
106.06571	2.7
107.04943	17.8
109.02897	7.0
109.06528	5.1
114.05557	2.9
116.07107	7.1
117.03410	3.5
117.07053	2.8
119.04980	2.6
119.08617	7.1
121.06522	3.5
123.04417	14.9
123.08090	3.8
125.02403	7.1
126.05506	13.8
127.03941	5.2
128.06293	1.7
129.07031	10.6
131.08607	4.3
132.08076	11.3
133.02873	1.7
133.06512	4.7
135.04440	16.7
136.04710	4.2
137.05995	2.9
139.03957	3.9
141.05414	1.9
145.02916	9.0
145.04922	2.2
146.03185	4.3
146.09619	3.1
147.08043	10.5
148.07614	2.8
149.06026	5.7
150.05504	4.3
150.09184	7.3
151.03897	37.9
151.07611	2.1
152.07104	5.7
153.05467	6.6
155.07057	6.7
156.08025	2.1
157.06433	3.1
159.04463	3.0
163.03905	100.0
164.04242	44.6
164.10814	2.0
165.04272	3.2
165.05513	31.3
167.07086	14.4
173.06099	2.8
174.09175	7.5
175.07568	8.6
176.10780	1.9
177.05545	4.8
178.08638	8.7
179.07028	2.8
184.07588	2.2
185.05916	2.0
191.07112	5.3
192.10246	5.0
193.08575	10.3
195.06580	5.8
196.06067	4.2
202.08702	9.4
203.07098	3.2
207.10257	5.6
209.08107	3.8
211.09666	1.6
214.07167	4.4
220.09706	33.3
220.11780	2.4
221.08064	5.5
227.09264	3.1
228.08644	4.6
234.11317	4.7
238.10747	53.3
248.09192	7.1
249.07628	16.5
252.12280	18.5
266.10263	30.9
268.71469	1.7
280.11768	10.8
281.10141	5.1
284.11295	26.8
298.12854	61.4
299.13126	1.8
316.13934	19.5
325.09125	3.2
326.09818	2.3
460.17917	2.3
478.19617	13.6
495.79984	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.05510	1.1
57.03425	0.9
66.83545	0.6
67.05482	0.8
69.03434	3.3
69.30681	3.5
71.04977	1.5
73.02906	0.8
79.05499	1.5
81.03406	2.0
81.07045	1.7
83.04984	2.7
83.13862	0.8
85.02900	5.3
85.06519	1.0
87.04474	1.7
89.03905	2.7
91.05472	1.2
93.07024	1.3
95.04974	1.8
95.08591	1.5
97.02888	2.7
97.06517	1.8
98.97578	1.0
101.06010	3.1
103.05456	1.0
105.07032	2.4
107.04958	3.0
107.08588	1.5
109.02866	2.2
109.06534	0.8
111.04409	1.0
112.32114	0.7
117.03381	5.0
121.10166	1.4
122.07162	1.5
122.46138	0.7
123.04377	1.3
123.08078	2.1
123.11715	1.3
127.03901	1.6
129.07042	0.8
130.06465	0.7
131.04973	0.8
131.08589	3.7
133.06464	1.4
135.04407	10.0
137.05923	1.3
139.03908	1.9
145.02850	8.1
145.04944	2.0
147.04395	1.5
149.05994	1.2
149.09595	1.4
151.03909	1.5
151.07481	0.9
153.05429	0.7
154.08603	1.0
157.07686	1.0
161.05972	1.3
163.03900	100.0
164.04269	3.0
165.05458	1.1
167.07008	0.9
167.10664	1.9
181.04982	5.0
185.11623	0.9
193.08577	1.1
197.08145	1.5
221.08014	1.0
237.12874	0.8
245.10350	1.0
246.10587	0.9
249.07735	1.0
267.08603	1.4
270.15997	0.9
281.10098	1.3
285.09634	2.6
298.15552	1.2
299.11368	5.0
323.11249	1.5
325.09036	1.9
419.12219	1.3
478.20288	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	478.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
61.27166	0.7
62.12362	0.7
69.03413	3.4
71.47880	0.8
79.05480	1.3
81.03412	2.0
81.07069	1.2
83.04975	1.5
84.32627	0.7
85.02888	4.5
87.04446	1.7
89.03932	2.7
91.05504	1.2
93.07040	1.4
95.04946	1.0
97.02892	3.5
101.06017	3.7
105.07029	3.2
107.04939	3.9
107.08568	1.3
109.02906	4.2
115.03927	2.4
117.03356	4.4
119.08547	1.0
121.06497	2.2
122.07162	0.8
125.44042	0.7
127.03907	3.2
128.15054	0.7
131.08563	8.8
133.04964	2.1
133.06454	1.2
135.04410	9.5
137.05978	1.3
139.03885	1.9
145.02846	9.8
145.04939	3.1
149.05952	1.7
149.09589	2.1
151.07565	2.4
154.08641	1.4
157.07710	1.1
161.05974	1.3
163.03899	100.0
164.04254	4.3
165.04388	1.9
167.07005	1.2
176.51959	0.7
181.04974	4.8
185.11552	0.9
193.08609	1.8
197.08102	2.7
211.09657	1.1
263.12866	1.2
281.10211	1.2
299.11240	3.0
305.10089	1.8
323.11148	2.6
325.09073	2.9
444.57446	0.8
465.60495	0.7
478.20309	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74019	0.3
55.01859	0.4
55.05515	5.4
57.07061	0.8
62.06094	1.9
65.03941	0.4
67.05161	0.6
67.05504	8.0
69.06716	0.5
69.07069	6.0
70.06544	1.0
71.25732	0.3
78.66637	0.3
79.05497	2.4
81.07059	5.8
83.08611	2.0
85.05280	1.8
86.06095	0.5
91.05495	0.6
93.07037	1.7
93.13219	0.4
95.08604	5.0
96.08128	0.3
97.10178	0.8
98.06055	10.3
98.23381	0.5
98.98472	0.7
101.72721	0.4
105.07001	0.4
107.08582	0.8
109.10129	1.9
110.09634	0.4
112.07584	1.4
119.08537	0.5
121.10110	0.5
123.11691	0.5
124.07641	0.4
133.10103	0.5
138.09154	0.4
140.10669	1.0
149.84341	0.4
154.12279	0.9
194.15315	0.4
196.16945	0.4
208.16914	0.7
222.18481	0.6
236.20189	0.8
260.01852	0.3
263.23993	0.4
265.10611	0.3
306.27902	100.0
307.28223	2.9
324.28970	0.8
337.27405	3.2
362.07907	0.3
393.84286	0.5
412.24417	0.4
447.51697	0.4
460.27466	0.4
478.20190	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2932
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03939	0.6
55.01853	0.7
55.05512	12.9
57.03440	6.6
57.07070	2.1
61.45673	0.3
62.06071	1.0
65.03944	0.8
67.05504	27.5
69.03426	0.4
69.07069	17.0
69.64684	0.6
69.65070	0.7
70.78596	0.3
71.04980	0.7
71.08609	1.1
79.05051	0.4
79.05492	7.3
81.07056	27.4
83.04959	0.7
83.08624	8.3
85.05285	0.7
85.06522	0.8
91.05481	5.3
93.07044	6.4
95.04944	1.1
95.08607	20.3
97.06532	1.4
97.10164	3.6
98.06052	4.4
98.98462	0.8
99.08069	0.6
105.07040	3.2
107.08606	3.8
109.10159	8.2
111.08069	0.9
111.11713	0.6
112.07587	0.7
119.08565	3.0
121.10133	2.4
123.11723	3.1
124.01624	0.5
125.09601	0.4
133.10118	3.0
135.11674	1.5
137.09584	0.4
137.13234	1.1
139.11142	0.5
139.36217	0.3
147.11674	1.7
149.13232	0.4
151.11105	0.3
151.14772	0.3
152.10622	0.4
154.12192	0.3
161.13237	1.3
163.14818	0.9
168.13698	0.3
175.14810	0.9
180.42850	0.3
189.16484	0.4
208.16928	0.4
216.06358	0.6
245.22514	0.5
263.23804	1.2
267.21210	0.3
275.63351	0.3
276.62048	0.4
306.27902	45.5
307.28241	1.1
314.62347	0.3
337.27356	100.0
338.27695	2.7
479.29636	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.0
59.34322	0.6
64.73252	0.5
67.05498	1.8
69.07113	1.2
70.24886	1.4
79.05494	2.0
81.07040	3.0
83.08609	2.0
85.63455	0.6
91.05492	2.4
93.07041	2.9
93.79145	0.6
93.80872	0.6
95.08606	4.4
99.77536	0.7
105.07028	3.3
107.04990	1.1
107.08594	10.3
109.06509	1.3
109.10146	1.8
117.07047	0.9
119.08575	9.7
121.06474	2.4
121.10141	6.7
122.10448	0.6
123.08048	3.4
131.08572	2.1
133.10121	9.2
135.08093	1.4
135.11688	1.4
137.09619	2.4
143.08470	1.1
145.10115	12.3
147.08054	1.2
147.11681	2.9
149.09627	2.6
157.10139	1.9
159.11679	6.9
161.09645	1.4
161.13277	1.9
165.09074	1.0
167.10693	1.1
171.11699	1.0
172.12444	2.1
173.09663	1.1
173.13184	1.2
175.11205	1.5
175.14799	3.9
177.12659	0.7
177.16405	1.6
185.13313	1.3
187.14812	14.4
189.12706	1.0
189.16412	1.0
197.13280	1.3
201.16327	0.9
203.14322	11.0
205.15866	1.5
215.14320	15.2
217.15843	3.2
225.16435	0.6
227.14391	0.7
233.15349	57.5
234.15721	1.2
325.25092	0.8
337.25345	1.6
343.26291	1.7
355.26285	7.3
373.27359	100.0
374.27640	3.6
461.32809	0.9
478.29477	1.2
478.41098	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	479.2774
Annotation	bipinnatone A
Peak:m/z	Relative Intensity
67.05517	7.7
67.37488	2.9
79.05486	6.0
81.07047	8.7
81.64905	3.1
93.07067	4.5
95.08595	5.6
119.08575	3.1
142.94801	3.9
237.42453	3.4
287.58920	3.5
297.16730	19.6
307.68323	3.9
308.29416	5.0
336.26239	7.5
393.22629	6.4
410.39905	3.3
479.21347	5.0
479.27701	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2984
Annotation	Tupichigenin B
Peak:m/z	Relative Intensity
52.17279	0.4
54.48598	0.4
70.15012	0.7
70.15330	0.6
79.76105	0.4
95.08598	0.6
140.24318	0.5
153.01591	1.5
195.09917	13.2
206.12854	0.9
207.06613	0.5
235.13051	8.8
387.24991	1.5
393.22430	12.5
461.28726	34.4
462.29095	0.7
479.29819	100.0
480.29938	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	479.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03985	2.3
55.05516	7.2
57.07079	3.8
67.05504	8.6
69.07058	14.4
69.07369	12.2
72.40643	2.2
79.05495	6.1
81.07060	18.0
83.08630	5.3
93.07036	4.6
95.08607	16.7
98.98478	3.7
100.95242	2.2
107.08589	4.7
109.09540	2.2
109.10129	12.6
111.08105	2.3
116.49899	2.1
119.08572	4.3
121.10139	2.9
123.11743	6.5
134.12387	2.3
135.11726	3.0
137.09631	6.1
137.13170	3.3
145.10138	2.3
149.09648	6.8
163.11241	4.5
165.09114	100.0
166.09442	4.3
177.09167	3.4
189.09116	2.6
191.10645	4.2
203.10597	5.1
205.12224	9.8
325.27396	7.6
371.29483	3.1
425.34360	3.2
443.35193	4.7
461.26236	3.0
479.35300	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	480.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01966	1.1
53.03951	1.4
55.05505	1.4
57.03439	10.5
59.04996	1.6
61.02924	2.1
69.03431	27.3
70.06610	1.6
71.04993	65.0
71.44506	1.5
73.02902	3.9
75.04469	5.6
79.05488	2.2
81.03406	2.9
83.04977	5.9
85.02902	100.0
87.04450	2.8
91.05481	4.3
93.07015	1.6
97.02879	7.3
99.04465	2.1
105.07036	2.6
107.04958	2.6
109.02836	1.6
109.06536	1.5
111.04454	4.2
115.03900	1.7
119.04951	3.2
121.02879	3.5
121.06500	5.2
124.50105	1.1
125.51732	1.0
127.03925	7.4
129.05472	36.3
131.04913	1.5
133.04921	1.8
133.06476	2.4
135.04434	3.1
137.05965	17.9
138.09209	1.2
139.03914	2.0
143.04779	1.2
145.04977	6.8
147.06519	18.3
149.05968	5.9
151.07542	7.8
154.00706	1.0
155.07030	1.9
157.06416	1.9
161.06004	4.5
163.03937	1.3
163.05975	2.0
164.09210	2.1
165.05508	5.4
167.07053	10.1
175.07535	1.7
179.07010	16.1
189.05502	1.4
191.07011	1.6
197.08093	2.8
201.09033	1.1
203.07089	2.9
205.08701	1.3
221.08049	6.8
229.08698	1.5
232.93007	1.2
247.09669	16.5
255.08850	1.7
265.10693	8.8
273.09610	1.6
283.11774	3.1
309.11740	1.8
480.21527	4.0
481.12848	1.8
481.19034	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	480.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.8
55.01871	0.8
55.05505	2.4
57.03428	7.9
57.07071	2.0
58.97497	0.8
59.05005	4.8
60.04525	1.2
61.02939	0.9
64.08105	0.8
67.05508	11.9
69.03424	25.3
69.07039	1.0
70.03365	1.5
70.03682	0.8
70.06597	1.1
71.04990	18.9
73.02910	4.4
77.03918	1.1
79.05486	8.9
81.03438	1.0
81.07053	84.3
82.07370	1.2
83.04984	3.2
85.02902	21.8
85.06467	0.9
87.04465	15.3
91.05466	14.9
93.07041	100.0
94.07362	1.0
95.04967	19.1
95.08599	14.3
97.02885	23.1
105.04521	2.6
105.07030	13.7
107.08588	15.4
109.02905	0.9
109.06503	8.2
109.10133	8.3
110.79924	0.7
111.08102	0.8
115.03927	21.8
120.08084	1.4
121.06480	1.2
121.10144	3.1
121.66367	1.0
123.08090	8.1
123.11702	73.5
127.03912	3.0
131.08572	1.6
133.04973	18.4
133.10117	22.9
135.08038	1.6
135.11621	1.3
136.97305	0.8
137.05959	2.6
139.11157	9.1
145.04958	2.5
145.10184	1.0
149.09567	1.6
150.07619	1.8
151.03859	0.8
151.11176	70.1
152.11494	1.6
153.01813	0.9
163.03922	0.9
163.06046	1.4
164.21684	0.8
169.12218	12.5
175.11298	1.1
217.12405	0.9
237.10992	0.9
265.14291	1.8
283.15286	3.1
295.10065	0.9
295.15506	1.7
313.16501	4.2
318.06976	2.2
480.27133	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.2
55.01864	11.9
55.05495	1.2
57.03433	26.8
57.07087	2.0
58.78023	0.9
59.05001	4.3
60.04533	1.2
61.02636	1.4
61.02922	18.6
62.98006	0.8
65.03874	0.9
67.05509	4.5
69.03425	52.5
69.07063	59.0
69.13882	4.9
71.01360	7.5
71.04974	4.2
73.02912	98.2
77.33382	0.9
79.05467	1.6
81.03411	8.7
81.07054	18.3
83.04982	2.1
83.08593	1.0
85.02898	100.0
87.04462	5.5
91.03931	4.6
93.07044	1.1
95.04935	2.2
95.08597	5.0
97.02885	82.3
99.04453	4.8
99.05008	0.8
101.02312	0.9
103.03924	3.6
107.08582	2.4
109.02872	8.4
109.06528	2.3
109.10149	9.5
111.41719	0.9
113.05975	1.5
115.03922	46.2
119.76373	1.0
121.10101	2.1
123.11699	87.3
127.03905	31.4
131.04909	1.0
133.04955	49.7
137.06049	1.2
138.05373	1.1
144.06557	3.1
145.04947	43.4
150.07547	1.5
151.11168	75.1
152.11549	1.7
156.06494	1.1
157.05051	1.2
162.07574	1.8
163.06001	16.5
165.91251	0.9
168.57205	0.9
169.04872	1.0
169.12207	9.6
172.03888	0.9
180.08574	1.7
181.04910	1.3
184.07423	1.1
193.04945	1.9
199.05974	2.4
217.07089	2.2
219.10196	4.6
219.13739	1.1
223.05954	6.6
241.07016	9.7
255.16060	1.1
259.08084	8.8
265.14273	2.1
277.09225	2.3
283.15372	33.6
294.11563	1.2
295.10330	1.7
304.08472	0.9
312.12628	1.3
313.16348	2.8
414.23285	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67789	0.8
55.05499	2.7
57.03438	10.4
57.07071	1.0
59.04995	3.2
60.04509	1.1
61.02924	2.1
65.03913	0.9
67.05499	3.5
69.03429	30.3
69.07049	2.3
71.04982	1.5
71.06507	0.9
71.53303	0.9
72.08173	1.3
73.02921	5.7
79.05489	3.8
81.03413	2.4
81.07053	18.5
83.04974	3.0
85.02901	24.2
86.09728	1.2
87.04465	20.6
91.05482	7.7
93.07040	4.5
94.04184	1.8
95.04949	2.0
95.08602	4.8
97.02890	28.1
99.04450	1.7
103.05408	1.1
105.07033	12.9
106.06590	1.0
107.04961	1.1
107.08601	10.3
108.08103	2.0
109.02866	1.5
109.06507	5.9
109.10157	7.8
111.04454	2.0
115.03926	33.6
117.03363	1.4
117.06998	1.4
119.04933	1.5
120.08118	2.4
121.06513	2.0
121.10102	4.8
122.03651	4.7
123.08081	4.4
123.11700	39.2
124.07658	1.0
124.12046	1.2
125.02341	0.9
126.09145	12.3
126.09987	1.5
127.03893	5.1
131.08551	1.2
133.04959	33.3
133.10117	30.0
135.04401	4.6
137.02327	12.2
137.05971	52.6
139.03870	4.4
145.02850	3.8
145.04945	3.7
146.33247	1.0
147.04497	1.1
149.06032	1.2
150.07617	2.0
151.07581	1.7
151.11174	54.0
157.10114	0.8
161.05939	2.4
163.03897	27.2
163.06010	2.0
167.07043	2.9
167.78801	1.0
167.99831	1.0
169.04961	13.3
169.12228	100.0
170.12617	1.2
175.07504	1.2
181.04927	1.6
185.11807	1.9
186.12224	1.4
193.06483	1.2
194.07321	1.9
210.77368	0.9
221.05980	1.4
222.06813	1.8
223.05934	1.4
237.09068	1.9
246.62706	0.9
253.08778	1.3
254.51741	1.0
259.07974	1.6
260.12875	2.8
265.08569	5.4
265.14276	1.7
271.09705	1.2
283.15436	1.9
285.11221	2.9
288.12341	12.7
295.10242	1.3
297.11145	6.4
301.16440	1.0
306.13364	1.6
315.12228	11.0
319.16544	4.6
395.05905	0.9
480.18353	10.9
480.25620	1.2
480.32797	2.0
481.17087	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	480.3087
Annotation	MOPE
Peak:m/z	Relative Intensity
55.05260	0.8
55.05512	11.8
57.03439	6.5
57.07075	7.3
62.06083	0.9
67.05505	10.8
69.07071	18.3
69.75909	1.2
71.04973	0.7
71.08640	2.6
79.05490	5.5
81.07053	11.7
81.07505	0.9
83.04984	0.8
83.08120	0.7
83.08615	12.2
85.06535	0.6
85.10177	1.5
91.05477	1.0
93.07047	7.3
95.08601	10.1
97.06532	1.8
97.10164	8.2
98.06060	0.9
98.22731	0.6
98.98494	0.5
99.08086	0.8
105.07033	0.4
107.08582	4.0
109.10142	4.7
111.08081	0.8
111.11722	1.7
121.10156	6.1
123.11716	1.5
125.09602	0.9
125.13316	0.6
135.11714	4.4
138.09225	0.5
149.13260	2.1
184.40962	0.5
216.06314	1.0
247.24208	0.6
265.25174	0.9
277.15848	0.5
308.29434	8.6
339.28928	100.0
340.29260	3.5
480.28165	2.3
495.35977	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.5
56.05026	0.3
57.07068	0.3
58.06603	0.6
60.08164	6.1
67.05476	0.8
69.07046	0.5
71.07370	2.6
71.42919	0.3
81.07056	0.5
81.14375	0.3
83.08592	0.4
86.09705	29.7
93.07047	0.4
93.84709	0.4
95.08598	0.5
97.06480	0.3
98.98466	2.6
104.10741	2.5
107.08578	0.5
121.10146	0.4
125.00002	19.5
133.09958	0.3
184.07336	100.0
185.07661	1.2
252.36235	0.3
258.10757	0.3
377.10794	0.3
452.59283	0.3
462.29565	0.9
480.31122	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	481.1682
Annotation	BRUCEIN B
Peak:m/z	Relative Intensity
57.03423	0.5
63.39114	0.2
67.05528	0.3
69.03427	0.6
69.41549	0.6
71.04971	0.2
75.65422	0.2
79.05481	0.2
81.07059	0.4
83.04959	0.3
85.02881	0.4
87.07563	0.2
93.07036	0.4
95.04958	0.3
95.08589	0.5
98.23419	0.3
107.08621	0.4
109.02683	0.2
109.10188	0.3
113.06020	0.6
122.03664	0.3
127.03687	0.9
133.10155	0.2
137.05981	2.3
148.96684	0.2
153.12759	0.5
163.03949	0.4
169.04871	0.4
171.04231	0.2
173.04146	0.4
184.07376	0.3
186.06543	0.8
196.01184	0.3
215.05275	0.9
229.06830	0.6
245.06273	0.2
259.05823	0.9
283.15466	0.6
284.15903	0.7
291.08337	0.7
301.08792	0.5
317.08420	2.7
321.18027	0.2
322.18365	0.3
349.12625	0.7
369.48358	0.2
421.65323	0.2
423.56467	0.3
481.16791	100.0
482.17200	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	481.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
57.03431	1.4
57.07034	0.4
60.04514	0.3
66.04733	0.7
66.45779	0.3
67.05501	0.6
69.03425	2.9
69.11770	0.4
69.17603	1.0
69.18008	1.0
70.03754	0.5
73.02905	0.6
79.05489	1.6
81.07067	2.5
82.07386	0.7
85.02914	2.3
85.67130	0.3
86.03229	0.6
87.04482	1.8
87.04967	0.3
91.05476	2.0
93.07056	1.2
94.04191	3.8
95.04971	1.3
95.08600	0.8
97.02879	2.2
98.03217	0.4
103.05463	0.9
105.07034	1.9
107.04943	1.7
107.08592	1.3
108.08887	0.6
109.06503	0.9
109.10141	0.7
111.04413	0.5
114.42142	0.3
115.03951	2.7
116.04271	0.4
119.04943	0.9
120.05768	0.3
121.02847	0.6
121.06498	0.9
121.10160	0.6
122.03646	7.0
123.04413	0.4
123.11697	3.2
124.08418	0.7
124.12059	1.6
126.09128	0.9
127.03847	0.4
130.04082	0.4
131.04880	0.8
133.04961	2.9
133.10123	2.4
134.05312	0.6
134.10449	0.7
135.04451	1.2
135.08069	0.4
137.05975	100.0
138.06348	0.9
146.03606	0.5
147.04411	1.4
149.05998	1.2
151.03922	0.8
151.07536	1.6
151.11166	4.1
152.11597	2.3
153.07024	0.4
155.08504	0.4
161.05980	3.5
163.03900	1.5
163.07524	2.0
164.04247	1.0
165.05757	0.6
165.07007	2.9
166.07808	0.8
167.07040	3.0
169.04936	0.5
169.12239	7.3
169.36150	0.4
170.05330	0.5
170.12582	4.6
175.07469	0.4
177.06981	0.7
178.07713	0.4
179.07018	0.8
179.08527	0.9
181.06532	0.6
182.07260	1.1
183.08099	0.8
191.07050	0.9
192.37834	0.4
193.06506	1.8
194.07213	3.6
195.07936	0.8
197.06024	0.4
203.06929	0.4
205.06505	1.6
206.07332	0.7
207.04489	0.5
207.07977	0.7
209.09616	1.0
210.06770	0.9
211.07564	1.5
213.09154	0.5
213.13818	0.8
217.09695	0.5
219.08157	0.6
221.05943	3.0
222.06717	2.6
223.07475	0.9
225.09035	1.8
227.07092	0.4
232.06915	0.5
233.05988	0.4
234.06761	0.7
235.07463	0.8
237.09161	2.9
239.07021	1.4
249.09056	0.6
250.06281	0.9
251.07022	1.5
252.07924	0.5
253.08664	1.6
254.09386	1.0
259.09698	0.4
259.14490	0.3
264.07773	0.4
265.08606	10.4
266.09262	0.5
267.10269	2.1
271.09628	2.1
277.08539	0.6
279.88199	0.3
281.07748	0.4
282.08966	0.8
283.09671	1.1
285.11240	6.0
287.13928	3.2
289.12805	0.5
294.08539	0.4
297.11237	14.3
298.11316	0.5
309.11288	2.3
315.12256	16.1
319.16531	7.7
327.12549	0.6
421.16354	0.6
433.16534	0.8
451.17862	0.7
457.97437	0.4
463.17538	0.7
481.16840	6.1
481.26886	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.3
51.19061	0.3
51.62695	0.3
56.07400	0.3
57.03421	0.9
65.03941	0.7
66.04719	0.5
67.05493	0.7
69.03417	2.2
69.60902	0.7
69.61297	0.7
70.06578	0.4
73.02908	0.8
76.32378	0.3
77.03904	0.4
79.05495	2.0
81.03412	0.4
81.07050	2.2
82.07404	0.4
83.04951	0.3
84.08138	0.4
85.02901	1.0
87.04449	1.1
88.04771	0.4
89.90207	0.3
91.05473	1.8
93.07032	1.0
94.04179	3.4
95.04959	0.6
97.02890	2.3
98.03214	0.5
98.97617	0.4
103.05483	0.5
105.07012	1.5
106.04238	0.3
106.07336	0.6
107.04944	1.4
107.08588	0.9
108.08856	0.3
109.06496	0.7
109.10162	0.6
115.03890	2.0
116.04208	0.5
117.07025	0.4
119.04920	1.0
121.02846	0.6
121.06480	0.8
121.10098	0.3
122.03649	7.8
123.04416	0.4
123.08064	0.4
123.11708	2.1
124.12021	0.7
126.09144	1.1
131.04912	0.7
131.08560	0.4
133.04944	1.7
133.10144	2.0
134.10449	1.0
135.04401	1.9
135.08095	0.3
137.05971	100.0
138.06274	0.8
139.03935	0.4
145.06488	0.7
145.42804	0.3
146.03577	0.4
147.04378	1.6
149.05988	1.2
150.06740	0.5
151.03899	0.5
151.07561	2.1
151.11162	2.4
152.11526	1.5
153.05394	0.3
153.06987	0.5
154.07726	0.4
161.05977	4.1
163.03909	2.4
163.07547	2.3
164.04233	1.0
165.06972	2.7
166.07791	1.3
167.07021	3.1
167.08411	0.5
168.05661	0.5
169.12218	4.2
170.11206	0.5
170.12552	3.0
174.06752	0.8
175.07492	0.8
177.05547	0.4
177.07022	0.7
177.75540	0.3
178.07744	0.5
179.07036	0.8
179.08501	0.5
181.06491	0.9
182.07253	0.8
183.08023	0.6
187.13185	0.3
189.06894	0.4
191.06995	0.6
191.08545	0.4
193.06459	1.2
194.07283	4.5
195.08011	0.5
196.05246	0.4
197.05957	0.4
197.09624	0.5
205.06470	1.8
206.07275	0.6
207.08081	0.7
209.09651	1.0
210.06735	1.0
211.07599	1.6
213.05315	0.4
213.13936	1.0
217.09703	0.5
221.05937	2.9
222.06743	3.4
224.08365	0.9
225.09099	1.7
233.06000	0.6
234.06738	0.4
235.07506	0.5
237.09062	3.5
238.06354	0.4
239.07057	1.4
249.09225	0.6
250.06213	1.0
251.07066	1.3
253.08571	1.6
254.09293	0.5
255.10220	0.4
256.07330	0.4
259.09717	0.4
259.14499	0.7
260.08621	0.4
265.08588	11.2
266.09021	0.4
267.10092	2.1
270.08798	0.6
271.09634	2.2
277.08643	0.7
279.10147	0.5
282.08926	1.4
283.09711	1.2
285.11221	7.0
287.13876	3.4
288.12326	0.6
289.12582	0.6
297.11200	14.0
298.11594	0.5
309.11298	1.8
315.12259	16.0
319.16501	7.8
320.16711	0.4
327.12274	0.8
421.16403	0.4
433.16666	0.8
449.15814	0.6
463.17401	0.7
481.11121	0.5
481.16904	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	481.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.2
55.01873	0.4
55.05507	0.4
67.01864	2.7
67.05512	1.1
68.99786	2.8
69.03420	1.0
69.07074	0.3
79.05507	0.7
80.36153	0.1
80.71903	0.2
81.03423	0.3
81.07056	1.1
83.01350	0.4
83.08630	0.2
85.06574	0.1
91.05476	0.8
91.46655	0.2
93.07039	0.5
94.19419	0.1
95.04975	0.4
95.08596	0.6
97.02884	0.5
100.11208	0.1
105.07022	0.6
107.08585	0.3
109.10155	0.5
111.00809	1.7
111.04426	0.3
115.05477	0.5
117.07023	0.4
119.08566	0.5
121.10181	0.2
121.43293	0.1
123.04416	1.6
123.11755	0.2
125.02338	0.3
127.03032	0.3
127.03916	3.6
128.06224	0.4
129.06981	0.4
131.04907	0.2
131.08575	0.4
133.10110	0.2
135.04367	0.2
135.67528	0.2
137.05972	1.3
137.09587	0.2
139.03906	0.2
141.06969	1.1
143.04895	0.4
145.06467	0.3
147.04401	0.8
149.09633	0.2
151.03902	0.6
153.01822	100.0
154.02159	1.2
155.03253	0.2
155.08571	0.3
157.06512	0.8
159.04420	0.2
159.08084	0.2
161.05936	0.3
163.03940	0.3
165.07024	0.4
167.08546	0.1
169.06471	0.5
171.02916	4.0
171.04413	0.6
171.08070	0.3
173.05995	1.2
175.03899	0.6
175.07545	0.2
177.06960	0.2
179.03389	8.6
179.08618	0.2
180.00621	0.1
180.03683	0.2
181.06519	0.4
183.08084	0.3
185.06001	0.8
187.03902	0.3
187.07559	0.6
189.01711	0.2
189.05428	0.2
191.08508	0.2
193.06531	0.4
195.08049	0.5
197.01291	0.2
197.05957	2.2
199.03917	5.4
199.07579	0.6
200.04555	0.2
201.05446	0.3
207.02824	0.2
207.07910	0.2
209.06009	0.4
210.14555	0.1
211.07547	0.5
213.05547	1.0
217.04967	1.0
219.08232	0.2
221.05991	0.7
223.03883	1.9
223.07458	0.3
225.05440	3.0
225.07385	0.2
225.09001	0.3
227.07130	0.3
235.07642	0.2
237.05446	0.6
239.07013	0.9
249.05568	0.9
251.07045	0.4
253.08542	0.2
263.07016	0.3
265.04929	0.2
265.08554	0.2
267.13956	0.2
273.12823	0.2
277.08636	0.2
285.14902	0.7
287.37326	0.2
291.13831	0.2
299.38379	0.2
301.12317	0.4
309.14767	0.5
311.12900	0.3
311.16281	1.7
315.16196	0.2
319.13367	1.1
325.07114	0.3
329.17480	0.4
335.16483	0.4
337.14310	6.4
338.14957	0.3
339.09052	0.2
353.17245	0.2
355.15359	0.6
361.14233	0.4
365.10431	0.2
379.15305	0.3
403.15225	0.3
419.18628	0.4
421.16272	0.3
427.15222	0.2
427.72864	0.2
445.16449	2.6
463.17511	9.2
464.17795	0.2
481.18347	2.1
481.24686	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50924	0.9
53.03942	1.4
55.01872	0.8
55.31637	0.8
55.96816	0.9
57.03426	1.8
57.58815	0.9
61.02925	1.9
65.03938	0.8
67.05507	13.9
69.03429	12.2
69.07072	3.4
70.71941	1.9
81.03442	4.3
85.02402	1.8
85.02908	28.2
91.03949	0.8
95.04969	29.3
97.02896	19.6
99.04438	2.1
103.03976	1.9
109.02874	4.8
112.07607	25.0
113.06009	2.4
122.06049	1.6
123.04449	1.7
124.07550	1.4
127.03924	6.5
136.07608	1.1
137.05988	1.4
140.07062	100.0
145.04951	4.1
154.08665	5.9
163.06021	1.1
167.07132	1.0
168.00890	0.8
178.08649	2.5
182.08130	44.8
195.53488	0.8
206.08141	11.4
208.48053	0.8
218.08240	2.3
236.09239	2.2
248.09181	5.6
266.10266	2.4
284.11264	3.2
302.12350	52.5
303.12595	1.5
317.11258	1.3
319.13153	1.5
361.51797	1.0
421.15155	1.2
481.13269	3.1
481.18680	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31539	1.2
53.03944	2.0
55.01881	1.8
57.03437	3.7
58.18381	1.0
58.56694	1.1
61.02919	6.4
67.05505	2.4
69.03433	15.6
70.92206	2.3
73.02905	2.4
79.05485	2.3
79.16503	1.1
81.03410	7.8
81.07059	1.8
85.02907	90.5
85.77844	1.1
87.04462	1.6
91.03964	2.1
91.05420	1.4
95.04972	1.7
97.02897	36.5
97.06416	1.0
99.04474	3.6
103.03975	3.0
108.08121	6.6
109.02886	11.8
109.06558	1.7
122.06042	4.1
125.06004	4.4
126.05540	3.9
126.09167	2.5
127.03908	23.9
136.07603	11.5
140.07063	70.1
145.04965	34.8
150.09151	4.9
152.07057	11.4
154.08655	4.7
163.06018	23.6
164.07071	16.4
178.08630	19.1
179.82353	1.1
182.08131	100.0
183.08487	1.6
184.88132	1.2
206.08121	55.6
218.08134	6.1
236.09152	3.9
245.47331	1.1
248.09181	13.5
266.10257	5.7
284.11298	9.5
301.11816	1.9
302.12363	21.8
319.12946	2.2
350.35330	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27123	0.7
53.03934	1.8
55.01865	3.0
55.70315	0.8
57.03433	4.4
61.02926	7.5
65.03939	0.8
67.05502	2.5
69.03430	18.7
69.51508	2.8
71.04995	2.9
73.02920	3.4
77.01060	0.7
79.05486	3.0
80.15795	0.8
81.03426	6.8
81.07061	3.8
84.08107	0.8
85.02905	100.0
87.04443	1.7
91.03959	3.9
91.05478	1.2
93.07042	1.2
95.04977	4.1
97.02895	34.6
97.06512	1.2
99.04444	3.8
103.03938	3.4
105.07073	0.9
107.04935	1.0
108.08115	6.6
109.02879	12.1
109.06464	1.3
110.06083	1.3
115.03925	1.8
119.04914	0.8
121.06517	1.4
122.06021	4.1
123.03172	2.7
124.04808	0.8
125.05997	3.6
126.05509	3.3
126.09135	2.7
127.03915	24.3
136.07573	11.3
137.05977	2.3
140.03421	8.1
140.07059	62.2
145.04956	41.3
150.09148	4.5
151.11177	1.1
152.07040	9.5
154.08603	4.6
163.03934	1.8
163.06020	21.3
164.07080	13.4
178.08635	15.1
182.08131	85.8
202.08557	1.1
206.08125	44.7
218.08138	5.3
230.84889	0.9
236.09264	4.7
238.10612	0.9
248.09215	9.0
266.10199	3.1
273.13040	0.8
284.11319	9.0
301.11841	2.0
302.12354	21.4
307.16458	1.3
319.13293	1.4
351.64471	0.8
415.51868	1.0
425.71469	0.8
432.24585	0.9
481.12839	1.1
481.23074	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3139
Annotation	Xestobergsterol B
Peak:m/z	Relative Intensity
50.50084	0.6
52.26025	0.7
55.05492	1.3
64.39449	0.6
65.20022	0.6
66.05859	0.7
67.05494	2.7
69.07074	1.1
70.49614	1.3
79.05484	1.9
80.94837	0.8
81.07052	2.5
86.09711	2.0
91.05480	1.1
93.07046	1.6
95.08609	1.8
104.10744	4.7
107.08618	1.1
109.10176	0.9
119.08614	1.0
124.99994	1.5
146.98203	7.0
159.41946	0.7
163.03922	1.1
164.99332	0.7
184.07384	4.2
185.07680	1.4
207.06511	1.2
257.26697	1.0
261.95370	0.7
291.09494	0.7
292.98389	0.7
335.25897	1.5
445.29510	3.9
463.30307	100.0
464.30515	4.8
481.23245	39.6
481.31680	11.4
482.23364	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	18.0
57.03455	3.4
57.07076	11.7
65.03927	3.6
65.58543	3.2
67.05502	30.8
69.03432	8.6
69.07068	55.2
71.04998	5.8
71.08640	4.3
73.02924	5.0
79.05514	14.1
81.03407	4.9
81.07056	89.0
82.07336	3.9
83.04976	5.3
83.08614	25.2
85.02908	10.6
85.06531	16.1
91.05482	8.9
92.50249	3.2
93.07043	23.4
95.04964	3.9
95.08610	100.0
97.02914	5.9
97.06538	4.7
97.10150	19.8
99.08112	14.3
100.11317	4.3
105.07051	11.0
107.08596	32.3
109.06547	5.1
109.10156	74.9
111.08069	4.7
111.11728	10.5
113.09668	10.6
119.04956	4.8
119.08610	6.0
121.06575	5.7
121.10165	25.4
122.03655	10.4
123.11706	36.2
125.09602	5.1
131.04898	4.8
131.08591	5.2
132.65149	3.4
135.11676	26.1
137.05977	98.7
137.07008	5.3
137.13239	27.8
139.11246	6.9
147.04437	12.7
147.11688	3.8
149.13316	16.6
151.03926	5.4
151.07542	3.4
151.14822	13.5
153.01839	14.2
161.06070	4.2
163.14771	17.2
164.07114	5.1
165.16426	9.6
167.07059	6.4
173.06123	4.0
177.16396	14.8
183.17468	5.8
191.17905	20.3
205.19530	4.6
222.06755	3.9
247.24211	43.6
265.08649	5.6
265.25272	40.4
271.09531	3.7
280.18930	3.4
283.26315	53.6
285.11224	8.2
297.11288	12.7
301.27438	28.2
315.12341	7.9
364.43204	3.3
432.75360	3.6
433.16296	4.0
449.12494	5.9
449.25128	3.8
481.20398	12.2
482.23871	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	481.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88308	1.5
55.01865	2.6
55.05509	27.8
57.03426	4.4
57.07074	16.0
59.04990	4.4
60.50473	1.4
65.75235	1.6
67.05502	29.9
69.03424	6.9
69.07069	58.6
70.06608	2.4
70.27472	2.1
71.04986	6.8
71.08620	5.5
71.64633	1.5
73.02898	3.0
74.70715	1.5
79.05489	13.9
79.47375	1.5
81.03394	3.2
81.07056	100.0
83.05008	3.5
83.08612	29.6
84.08093	1.8
85.02910	10.1
85.06543	16.3
87.04463	3.0
91.05466	5.7
93.07043	26.7
95.04952	2.5
95.08603	94.5
97.02886	5.2
97.06535	4.6
97.10174	17.8
99.08076	13.3
100.11266	4.6
105.07018	7.3
107.08591	31.3
109.06522	3.3
109.10155	75.0
109.68520	1.5
110.10452	1.7
111.04469	2.9
111.08054	2.6
111.11708	14.1
112.69815	1.5
113.09649	7.6
115.03940	2.7
119.08569	5.0
121.02856	2.4
121.06525	3.0
121.10137	26.2
122.03653	2.3
123.11700	39.0
124.12054	2.5
125.05972	4.0
125.09660	2.8
125.13263	4.4
127.03945	2.0
127.11200	8.7
128.10754	4.4
128.89659	2.0
129.12798	1.9
133.04955	2.7
133.10167	3.9
135.11694	25.2
137.05971	37.3
137.13254	30.5
138.06302	1.6
139.11139	2.7
141.12744	4.5
143.07037	6.8
145.10117	2.1
147.04424	3.6
147.11653	4.6
149.06042	4.1
149.09573	2.6
149.13251	15.7
151.07544	8.0
151.11131	2.5
151.14844	11.2
153.01854	7.3
153.05423	4.7
153.12698	2.9
155.14287	3.4
156.10269	2.2
156.42906	1.6
158.59846	1.8
159.11687	2.1
161.05908	2.6
161.13242	2.4
163.03894	2.5
163.14813	11.9
165.07100	2.1
165.16347	10.4
167.06989	5.5
177.16403	18.0
179.17975	3.2
182.15425	4.9
183.17439	3.6
191.17987	18.2
193.19518	2.6
195.06557	3.4
195.17484	2.1
196.06868	3.3
209.16634	2.1
209.19011	2.5
210.14847	2.9
211.20505	2.0
213.18483	3.7
247.24203	39.9
265.08569	5.0
265.25259	53.5
283.26291	50.4
284.26736	1.8
285.11111	4.4
297.11121	3.6
301.09576	1.9
301.27411	25.4
319.24841	1.9
319.28207	10.2
326.28070	1.9
359.14960	2.4
360.15143	6.3
382.26755	3.1
463.34659	2.7
481.17535	3.0
481.28128	7.9
481.37286	6.9
482.23331	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	481.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
55.05510	16.6
57.03440	3.1
57.07075	7.2
59.04998	2.2
61.02913	2.4
64.22988	1.4
67.05509	20.0
69.03435	7.0
69.06709	2.6
69.07070	36.6
69.20895	8.3
71.04987	3.2
71.08630	2.9
76.42749	1.4
79.05495	10.5
81.03415	2.1
81.07057	100.0
83.08620	20.7
85.02898	13.6
85.06544	2.8
85.10195	1.7
87.04466	1.7
90.99183	1.4
91.05471	4.3
93.07048	17.3
95.04965	2.5
95.08606	67.7
97.02902	5.6
97.06538	3.2
97.10175	14.9
99.08090	37.8
103.05418	1.6
105.07006	4.1
107.08595	20.5
109.02864	1.6
109.10153	52.0
111.08098	1.4
111.11711	8.4
113.09674	8.0
115.03931	2.0
119.08604	2.0
121.06496	2.1
121.10143	18.6
122.03645	3.3
123.11704	36.0
125.09595	2.2
125.13287	1.9
127.03921	3.0
131.04927	1.4
133.10201	1.7
135.11694	18.6
137.05975	58.6
137.13251	24.3
139.11211	5.3
141.12766	3.6
145.04950	2.0
147.04401	3.2
149.05994	2.0
149.13237	12.8
151.14804	8.7
153.12740	10.1
159.13739	2.0
161.05995	3.7
163.14835	7.9
165.16365	7.8
167.07040	3.2
177.16376	13.1
191.17946	17.2
194.07114	1.8
195.17494	1.7
205.19627	1.5
209.19028	3.3
222.06729	2.1
233.25493	1.4
237.09253	1.4
247.24239	21.8
265.08551	6.2
265.25244	47.4
283.26294	79.9
285.11319	4.7
297.11227	4.7
301.27383	17.3
319.28302	4.8
398.74066	1.4
445.32825	2.0
481.16406	1.9
481.24985	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.05511	1.5
57.03425	2.0
60.93869	1.0
62.15596	1.1
67.05497	2.7
69.03440	8.3
69.15112	6.2
69.15521	2.1
70.06586	2.5
71.04994	2.1
73.02917	1.7
78.03453	7.9
79.05486	5.0
80.05032	1.7
81.03428	9.6
81.07032	7.3
83.04966	3.5
83.97195	1.3
85.02900	9.5
87.04461	2.2
91.05486	17.0
93.07056	11.3
95.04956	4.1
95.08636	3.3
97.02875	4.3
97.06537	4.3
99.04472	1.4
105.03400	1.2
105.07032	1.9
106.02924	37.3
107.04944	3.6
107.08605	7.6
109.02874	6.5
109.06507	4.0
109.10160	2.7
111.04439	4.2
111.08080	2.1
115.03921	2.5
119.04947	35.6
121.06528	1.8
122.03663	3.6
123.08122	1.5
124.03954	68.8
127.03920	4.0
129.05469	14.8
133.02773	1.9
133.04970	2.0
135.04407	2.6
135.08014	2.5
137.05978	100.0
145.05013	1.4
147.04407	70.1
149.06058	1.4
151.07597	2.5
153.09094	10.5
153.12666	2.7
160.09714	10.6
160.40915	1.2
165.05460	2.3
167.07024	3.3
171.10159	37.2
178.87788	1.4
179.07039	39.9
181.05025	1.5
196.09848	1.4
197.08110	8.3
250.07130	18.9
268.08157	39.1
285.17435	1.2
325.76431	1.2
368.61157	1.5
415.31415	1.3
434.14478	40.7
435.14984	1.8
464.15594	9.4
482.13867	1.8
482.22534	1.4
483.14255	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	482.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.2
53.03945	1.5
65.03924	1.2
67.79539	0.8
69.03416	5.0
69.46410	4.6
71.10653	0.9
73.02887	1.0
73.94402	0.9
78.03463	7.9
79.05484	1.9
80.05013	1.3
81.03426	8.1
84.66252	0.9
85.02905	4.5
87.04472	1.0
91.05471	13.3
93.07045	1.3
95.04980	1.1
96.04487	2.1
97.02888	3.2
99.04462	2.3
106.02914	35.4
107.04954	3.8
109.02877	7.5
119.04939	33.0
121.06466	1.2
122.03638	4.0
124.03950	70.7
127.03931	3.3
129.05518	1.2
135.04424	2.7
137.05975	100.0
138.06366	1.0
147.04401	75.0
149.05923	1.2
151.07549	3.9
153.66687	0.8
167.07040	2.5
171.10152	3.8
179.07031	42.2
197.08102	6.5
226.07018	1.0
250.07094	19.2
268.08170	36.2
282.84442	1.0
357.33783	1.0
434.14450	40.4
464.15488	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	482.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01869	1.1
55.05513	0.7
57.03429	2.4
61.02931	3.0
63.22195	0.6
65.34693	0.6
67.05508	2.5
69.03435	9.8
69.07072	0.6
70.79105	0.8
71.04990	0.7
73.02911	1.4
79.05487	2.3
81.03422	5.0
81.07053	1.8
85.02903	18.2
87.04462	2.1
89.03913	0.5
91.03960	1.5
91.05479	2.1
93.07050	1.8
94.06565	0.5
95.04971	3.3
95.08595	1.3
96.08128	2.1
97.02895	7.5
97.06546	0.9
99.04462	1.4
104.98672	0.6
105.07021	2.6
105.42466	0.5
106.63109	0.5
107.04919	0.9
107.08562	1.5
109.02885	2.2
109.06590	0.7
109.10161	0.6
115.03922	0.6
115.05464	1.0
117.07010	1.1
119.04945	2.0
119.08585	0.8
122.09663	1.2
123.04404	0.9
124.07586	5.6
127.03925	5.3
128.06161	0.8
130.06517	2.7
131.08569	1.4
132.04456	0.9
132.08014	0.8
133.02844	0.7
133.06467	1.4
133.10109	1.1
134.09654	1.4
135.04436	1.9
135.11765	0.7
136.07568	2.9
138.09151	2.3
142.06569	0.7
143.07228	0.5
143.08636	0.8
145.04932	3.4
145.10144	1.8
146.06036	1.4
147.04407	5.4
148.07530	0.7
148.11261	0.7
150.09132	4.6
151.03900	10.4
151.09938	4.8
152.10707	6.8
153.01802	0.7
153.06996	0.8
153.12682	1.1
156.08144	0.8
158.06012	2.4
158.09657	1.1
159.73604	0.6
160.07561	4.0
160.11230	1.0
161.08376	0.7
161.09601	8.5
162.09135	7.2
162.10426	2.3
163.03906	5.2
164.10712	1.1
170.09671	1.6
171.10431	0.8
171.13898	0.7
172.07568	1.7
173.09695	0.6
174.09167	3.0
176.07106	0.7
176.10689	12.1
177.05492	2.0
178.12225	0.9
185.08263	0.6
185.13213	0.7
186.09160	5.8
186.12721	2.8
187.09927	2.3
188.10677	7.4
189.09081	1.4
189.11552	0.9
190.12337	0.8
191.10751	1.5
193.10139	0.9
193.34380	0.6
195.10506	0.5
199.09944	1.1
201.11394	0.6
203.14377	1.6
204.10220	6.9
206.11699	3.7
207.12540	0.6
210.12825	0.5
212.10690	1.1
213.12798	0.8
214.08865	3.7
214.12245	15.1
216.10403	1.1
216.13838	8.2
228.13811	4.0
230.15392	1.1
231.13789	10.4
232.09677	23.9
234.11250	0.9
238.12312	1.9
239.10689	1.2
240.13889	1.0
249.18367	0.6
256.13312	4.0
258.14926	4.8
266.11783	1.5
267.10147	0.9
274.14343	2.1
276.15939	27.6
277.16516	0.9
284.12808	22.6
285.16794	0.6
285.20563	0.8
302.13855	31.9
303.08615	2.3
320.14914	100.0
321.15149	2.6
361.16479	1.0
476.83643	0.6
482.20047	1.3
482.26810	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04392	0.5
55.05504	1.4
57.03421	2.7
59.04987	2.5
60.04516	0.9
67.05497	1.0
69.03429	5.5
69.07055	1.8
70.56393	1.1
71.04630	1.1
71.04993	11.6
73.02907	2.1
73.06553	2.1
79.05482	3.2
81.07054	16.0
83.08584	0.7
85.02900	5.6
85.48760	0.6
87.04467	3.9
91.05461	2.5
93.07045	14.4
95.04964	1.5
95.08611	3.2
97.02888	4.0
97.06516	2.2
105.06975	0.8
107.08594	10.4
109.10159	2.0
115.03931	5.4
127.03902	0.6
133.04991	4.9
135.11690	22.8
145.04941	1.9
150.07591	1.4
153.12737	100.0
154.13022	1.3
163.03911	0.8
171.13777	1.8
215.61415	0.7
302.13916	0.7
320.14966	1.0
368.00198	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	10.3
57.07077	44.8
60.92179	3.2
67.05495	16.4
69.03428	8.4
69.07062	15.7
70.12034	7.3
71.08636	34.9
81.03431	3.2
81.07051	20.6
83.05010	2.8
83.08636	7.8
85.02904	17.0
85.09739	3.8
85.10189	22.9
95.08607	33.5
97.02888	31.1
97.10167	7.8
99.04475	6.5
104.43098	3.0
109.10149	19.0
111.11762	5.1
123.11749	6.2
126.54324	3.2
127.03919	18.1
137.13208	4.8
145.04945	12.8
170.10791	2.9
193.19537	4.2
211.20557	100.0
355.24817	33.5
373.25876	55.9
422.18246	7.8
459.96991	3.4
464.30499	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	482.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01873	3.7
55.05510	19.6
57.03441	1.7
57.07082	3.1
60.69753	1.0
65.03931	1.9
67.05504	26.7
69.03440	1.6
69.07069	9.5
71.04984	2.5
71.08636	2.2
79.05494	20.4
81.03419	4.7
81.07058	20.8
83.04993	4.6
83.08622	15.1
85.06533	2.0
89.06052	4.2
91.05482	22.0
93.07047	20.4
93.07603	1.8
95.04967	22.9
95.07776	1.0
95.07973	1.2
95.08597	14.5
97.06532	4.8
97.10178	5.3
101.03033	1.0
105.07025	23.5
107.04985	7.4
107.08580	13.6
109.06525	3.9
109.10155	11.6
111.08094	4.3
115.49432	1.0
117.07001	7.3
119.08575	21.1
121.06539	3.7
121.10137	10.7
123.08077	3.0
123.11770	1.3
125.09665	5.4
129.07027	3.7
131.08578	10.4
131.97322	1.2
133.08655	2.1
133.09102	1.5
133.10109	18.1
135.08073	4.0
135.11688	6.3
137.09619	3.2
139.11179	1.8
141.06970	1.5
143.08565	2.5
145.06549	1.7
145.10115	14.7
147.08018	2.9
147.11688	10.4
149.09616	19.2
151.11223	3.6
155.08588	2.9
157.10130	2.2
159.11714	10.0
161.09677	1.5
161.13257	3.0
163.11180	21.0
165.12764	2.1
169.10072	2.5
171.11685	3.1
173.09625	4.3
173.11702	3.6
173.13269	3.0
175.11093	1.7
177.12784	2.5
183.11731	3.1
187.11160	1.6
189.11214	5.0
197.13231	2.2
205.12218	1.0
215.14359	1.1
215.17918	1.2
223.13292	20.1
223.15286	1.8
229.19640	3.6
239.17935	8.1
247.20671	1.8
257.18994	14.8
275.20059	100.0
276.20526	2.6
283.17584	2.3
293.21097	40.2
311.25769	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	483.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29413	0.5
56.96567	6.1
60.09450	0.5
67.56684	0.5
70.99360	0.7
84.96036	1.7
85.02896	1.3
98.97585	58.7
110.97562	4.0
112.99148	1.8
116.98623	19.5
124.04784	0.9
124.99146	2.8
127.00681	0.8
127.03983	0.6
128.98622	3.0
129.02351	0.7
131.00166	1.3
134.99670	3.2
136.06197	1.1
140.98611	1.8
142.08592	1.3
143.00175	4.4
144.98102	0.9
145.01723	1.2
146.99646	1.1
147.03308	2.1
149.01131	0.5
152.98613	0.7
158.99663	24.6
161.01256	3.5
163.03949	0.7
165.04372	0.8
170.99599	4.1
171.03307	3.1
177.00705	16.3
182.99683	2.0
185.01257	0.8
189.00729	4.3
189.04355	6.1
195.01791	0.9
201.00752	5.4
201.04341	0.9
207.01816	0.8
207.05460	1.3
213.00696	1.6
219.01753	12.0
231.01802	1.9
231.05426	1.7
237.02800	7.9
249.02811	7.7
249.06607	0.8
267.03888	1.5
273.02905	0.8
273.06033	0.6
291.03925	3.7
291.07532	8.2
309.08539	22.8
321.10107	0.8
339.11221	0.6
423.11728	100.0
424.12177	3.4
434.88031	0.5
472.21930	0.6
483.14490	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96444	0.8
51.48171	0.8
52.49253	0.7
54.14611	0.8
55.01871	2.6
55.05513	3.4
57.03435	3.4
60.08157	1.1
61.02926	1.6
67.05498	4.8
69.03425	2.8
69.06709	1.5
69.07066	23.7
70.06602	1.2
70.58100	1.7
71.04983	1.4
79.05488	12.2
81.03393	1.4
81.07050	5.3
82.07409	0.9
83.04977	2.2
83.08604	1.3
85.02901	3.1
85.06533	2.4
86.09704	6.0
86.70722	1.0
87.04459	1.0
89.03905	2.6
91.05474	2.1
93.07037	4.2
95.04958	3.8
95.08599	5.3
97.06530	83.2
97.10187	0.9
99.08127	1.0
104.10760	1.1
105.07027	2.4
107.04952	1.4
107.08585	2.3
109.02875	1.8
109.06513	1.0
109.10130	2.3
111.08080	3.3
117.03371	3.8
118.63130	0.7
119.04921	1.0
119.08574	2.0
121.10143	1.7
123.04474	1.0
123.11716	1.0
125.00002	4.1
127.03942	0.9
128.06258	0.9
129.09085	2.3
131.04965	1.8
131.08540	1.2
133.02840	2.6
133.10179	1.6
135.04417	5.1
135.11708	1.9
137.06003	2.0
137.09641	0.8
143.08594	1.1
145.02856	6.3
145.10130	1.3
147.04427	2.4
147.07915	1.0
151.03860	1.0
153.01852	1.5
153.12761	1.2
155.08537	5.2
157.10115	1.3
159.04433	8.5
159.11739	1.3
161.02327	25.7
163.03903	55.2
163.11079	0.9
165.05531	1.2
165.09215	0.9
171.17570	1.0
173.02344	51.0
177.05435	1.5
179.03362	1.4
184.07332	19.9
185.05983	4.2
187.07538	1.9
191.03378	7.1
215.07024	85.1
216.07343	1.2
233.08102	4.2
241.08597	12.1
259.09641	25.8
273.11206	14.4
291.12250	100.0
292.12573	1.6
303.23221	1.5
482.31009	1.1
483.19696	1.3
483.25601	5.6
484.26593	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	483.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36704	0.6
54.31214	0.6
55.05503	1.3
67.05515	1.7
69.07054	1.5
71.43774	0.7
72.59405	0.7
79.05508	1.6
81.07055	3.2
83.04957	0.7
85.02918	0.9
85.06564	0.8
85.41209	0.6
91.05483	0.9
93.07062	1.2
95.08612	2.0
105.07031	1.4
107.08595	1.5
109.06533	1.6
111.08084	2.0
120.08158	0.8
121.10138	1.2
123.11689	1.2
126.94434	0.6
133.10185	0.7
135.08035	1.5
137.06023	0.8
137.09602	0.7
146.05962	0.8
157.89136	0.7
163.03949	1.1
169.12306	0.7
170.15211	0.6
299.54898	0.7
321.16809	1.3
447.31079	1.4
483.21991	100.0
484.22644	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	483.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19765	0.8
55.05504	2.1
57.03431	3.2
57.07066	3.2
57.59162	0.8
59.04972	1.3
59.30165	0.8
67.05500	3.3
69.03424	9.0
69.07066	3.6
69.83493	2.3
71.04981	3.9
73.02921	1.8
79.05492	3.6
81.03418	1.6
81.07056	9.0
83.08630	1.0
85.02912	8.3
85.06547	100.0
86.06849	1.1
87.04462	3.8
91.05470	2.7
93.07044	8.8
95.04961	1.4
95.08614	4.7
97.02905	8.1
97.05963	1.5
97.06542	18.8
99.08094	1.2
103.07584	8.1
105.07054	0.9
107.08612	7.8
108.08936	0.9
109.02824	2.2
109.06503	1.1
109.10181	4.3
111.08058	2.2
112.08402	1.4
115.03929	7.9
119.08593	1.0
127.03904	2.4
133.04985	8.8
135.11700	11.6
136.12036	2.1
137.05962	1.8
137.09599	1.0
145.04982	2.4
147.04295	0.8
153.09093	1.6
153.12750	37.7
154.09508	1.0
155.10666	2.4
160.09659	2.8
163.03836	1.8
171.10130	3.3
171.13802	11.0
172.10544	1.3
189.14882	3.9
217.10683	1.4
247.11772	1.2
248.43173	1.0
254.21286	0.9
259.08163	1.0
483.14606	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	483.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65572	0.4
55.05508	0.9
57.03427	1.2
57.07080	2.7
61.02934	0.4
67.05508	2.5
69.03425	4.5
69.07052	2.1
70.49230	0.4
70.61931	0.4
71.05002	0.6
73.02894	0.9
79.05505	1.9
81.03407	1.0
81.07056	2.1
83.08579	0.6
85.02910	4.7
85.06541	100.0
86.06886	1.3
87.04450	0.5
91.05466	0.5
93.07043	3.9
95.04960	0.7
95.08588	1.2
97.02904	4.3
97.06530	17.5
99.08062	0.6
103.07573	6.8
103.85825	0.5
107.08592	4.0
109.02863	1.4
109.06482	0.5
109.10149	2.7
111.08091	0.6
113.05962	0.5
115.03916	1.9
119.08540	0.4
124.84704	0.4
125.09614	0.6
127.03899	0.8
131.08498	0.4
133.04941	1.5
135.11688	3.2
137.05898	0.6
137.09634	0.5
137.13181	0.5
145.04938	1.4
151.03897	0.8
153.12741	6.7
155.10651	0.5
165.05490	1.4
171.13791	11.6
172.14119	0.4
181.12175	0.5
184.07190	0.5
187.43301	0.4
189.14865	6.7
199.09653	0.6
212.86729	0.4
217.10657	0.6
232.50093	0.4
243.81926	0.4
285.12216	0.5
285.17139	0.5
483.14539	24.1
484.14847	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41621	0.7
55.05262	1.6
55.05511	24.0
57.03437	9.1
57.07075	10.3
67.05509	4.0
69.07066	27.0
71.08624	6.7
79.05479	3.1
81.07056	5.5
83.08617	20.4
85.10172	2.3
93.07037	4.0
95.08600	3.0
97.06528	2.5
97.10170	16.3
98.98479	11.2
104.10694	0.8
107.08572	3.0
109.10161	1.5
109.62584	0.8
111.11716	3.5
114.78432	0.8
117.21910	0.7
121.10126	3.2
123.21866	0.8
135.11696	2.5
152.77170	0.9
155.01019	3.8
157.56934	0.8
179.91397	0.9
182.55670	0.7
200.21191	0.8
237.22142	1.1
249.94438	0.8
311.25781	100.0
312.26022	2.3
330.95471	0.8
392.24557	0.8
447.25128	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	483.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.9
54.43401	0.7
55.05514	22.6
57.03188	0.8
57.03443	8.7
57.06821	0.7
57.07082	8.8
62.03086	0.7
67.05508	4.0
69.07069	23.6
69.19750	3.8
71.08636	4.9
79.05506	2.3
81.07063	4.2
83.08621	18.1
85.10187	2.3
93.07034	2.7
95.08585	3.7
97.06535	2.0
97.09595	1.3
97.10178	15.4
98.98466	9.4
107.08598	2.1
109.10171	1.2
111.11726	4.6
121.10153	2.6
123.11691	1.1
125.13262	0.9
135.11671	2.8
149.13252	0.9
155.01057	4.1
203.13390	0.7
219.21182	1.1
237.22212	1.5
311.25800	100.0
312.26099	4.1
447.24936	2.8
490.73816	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27797	0.5
55.05511	22.6
55.05780	1.2
57.03439	8.2
57.06815	0.8
57.07075	9.1
59.05975	0.5
67.05495	4.0
69.07066	22.5
69.38862	1.0
69.39275	2.7
71.08633	6.5
73.02906	0.7
79.05486	2.7
81.07059	3.9
83.04999	0.7
83.08620	20.9
85.10181	2.6
93.07031	2.5
95.08616	3.4
97.06509	2.4
97.10168	15.9
98.98461	10.2
107.08579	2.8
109.10136	1.1
111.08036	0.8
111.11744	3.2
121.10140	2.6
125.09624	0.6
125.13296	0.8
135.11652	1.4
149.13258	1.2
150.19150	0.6
155.01062	5.0
213.43845	0.6
219.21136	0.6
237.22067	1.7
311.25787	100.0
312.26172	3.6
447.24911	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3083
Annotation	Kuguacin F
Peak:m/z	Relative Intensity
55.99897	0.7
58.54385	0.7
62.98257	0.9
67.05508	0.7
69.31516	2.1
69.31920	1.3
81.07069	1.2
104.10736	1.4
109.79983	0.7
119.08612	0.8
144.52713	0.8
193.05037	1.1
205.29813	0.8
237.07571	1.1
255.99638	0.8
353.75500	0.8
395.25757	1.6
483.30817	100.0
484.31329	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	484.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01874	6.1
55.05505	5.3
57.03443	14.5
57.07071	3.6
59.04989	3.7
61.02927	6.1
67.05505	9.5
69.03427	31.7
69.07065	12.6
69.84571	4.2
70.03767	1.8
70.06602	2.8
70.42290	1.4
71.01344	2.5
71.04984	4.9
73.02916	37.1
75.78780	1.4
79.05488	7.8
81.03420	5.8
81.07056	100.0
82.07364	2.4
83.04974	4.1
83.08600	7.7
84.71327	1.4
85.02904	62.1
85.06551	7.6
86.03246	1.9
87.04441	8.6
88.03346	1.4
91.05485	4.5
93.07047	8.6
95.04984	2.9
95.08607	39.2
96.08939	1.6
97.02889	44.0
97.03477	2.3
97.06551	4.5
97.10172	3.2
98.22605	1.4
99.04454	3.9
99.08112	7.3
103.03953	4.6
105.07050	6.3
106.02904	2.1
107.04975	1.8
107.08591	6.8
108.08943	1.5
109.02881	6.7
109.06529	3.8
109.10171	4.6
111.08067	2.2
111.11729	5.2
115.03922	22.4
119.08595	2.3
121.06504	1.9
121.10120	3.9
122.09659	2.0
123.11707	9.8
124.03959	17.7
125.04312	4.2
126.04441	3.6
127.03900	20.3
133.04953	31.0
133.10144	3.5
134.05302	1.7
135.11713	5.1
137.06017	2.5
137.12241	3.1
137.13252	40.4
138.09154	6.2
143.08640	1.6
145.04941	26.2
145.10141	1.7
147.11682	2.7
149.04457	1.9
149.13271	3.4
151.11140	3.0
153.12732	9.6
154.13072	4.5
155.14336	22.2
156.82538	1.5
161.13274	3.7
163.03883	2.9
163.06017	14.5
163.07228	2.0
169.12244	4.8
173.15402	8.6
184.07372	3.8
187.13284	3.3
191.14381	2.0
197.08018	2.3
215.14232	2.2
221.15305	1.6
223.06015	4.2
233.15318	2.3
239.16391	3.4
241.07068	5.4
241.88794	1.4
251.16446	3.2
252.01019	1.7
256.90457	1.6
259.08160	15.0
268.09802	1.9
269.17529	2.9
277.09180	2.1
281.17535	2.8
287.05594	2.7
287.15186	2.4
287.18423	5.5
295.10162	9.7
317.11450	1.7
317.19553	3.6
319.13245	2.0
322.11783	5.0
405.17578	1.6
447.83624	1.7
456.21277	3.0
471.43332	1.6
484.11099	11.1
485.19733	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01862	2.2
55.05513	6.0
57.03425	9.2
57.07067	4.2
59.04983	3.3
60.08152	5.5
60.08429	1.1
61.02923	6.6
62.36094	1.1
67.05491	4.3
69.03062	1.8
69.03426	30.6
69.07063	5.2
71.01365	1.4
71.04959	1.7
71.07375	1.8
71.08617	5.4
73.02906	13.1
73.06554	16.5
75.61298	1.4
79.05474	3.9
81.03427	2.8
81.07054	49.9
83.08595	4.6
85.02901	34.9
85.06541	4.4
86.09701	22.7
87.04461	14.3
91.05475	1.6
93.07037	1.6
95.08601	26.0
96.08952	1.1
97.02891	34.5
97.10163	3.7
98.98477	1.7
99.04446	3.0
99.08089	2.3
100.11239	3.0
104.10725	5.2
105.07066	1.7
109.02859	2.3
109.10134	2.3
111.11687	1.6
113.13240	1.3
115.03922	26.4
119.08566	1.9
124.99982	16.2
127.03910	7.5
133.02837	2.3
133.04956	29.6
137.13243	52.7
137.14299	3.1
145.04932	8.9
147.04384	4.6
148.04689	3.4
150.07608	5.8
153.12637	1.3
155.14293	56.7
156.14543	1.4
157.04712	1.1
163.03886	5.5
163.05952	3.3
164.04207	3.0
173.15361	86.0
174.15704	1.9
181.04892	1.3
183.25087	1.2
184.07333	100.0
197.19846	1.2
220.09781	1.9
223.06082	1.4
241.06985	2.7
259.08133	4.1
261.07495	3.0
277.09045	1.7
287.18552	11.5
295.10001	2.2
311.46561	1.3
322.16263	1.6
484.27350	8.0
485.24097	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	485.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.01858	1.3
55.05512	4.5
56.48075	0.7
57.03440	4.4
57.07066	1.5
58.95559	0.6
59.05005	0.7
67.05508	4.5
69.03432	27.2
69.06712	1.2
69.07070	18.8
71.01350	0.9
71.04990	2.4
73.02906	1.3
76.90691	0.5
79.05502	5.5
81.03403	4.6
81.07059	9.5
82.07375	0.8
83.04987	5.7
83.08601	2.1
85.02906	17.7
85.06542	2.0
86.09722	0.9
86.18467	0.6
87.04466	4.2
91.05487	7.7
93.07042	6.4
94.07381	0.8
95.04961	2.0
95.08603	10.0
97.02894	19.6
97.06525	1.9
99.04456	1.3
100.07575	0.6
100.11254	5.1
103.05444	0.8
105.07034	8.6
107.04959	1.2
107.07920	1.2
107.08593	15.1
109.02853	2.9
109.06508	4.1
109.10170	2.2
111.04449	1.5
111.08088	6.6
115.03929	8.6
115.05399	0.9
117.07030	1.8
119.05944	0.6
119.08591	8.1
121.06511	3.2
121.10140	8.8
123.08067	5.8
123.11691	0.7
127.03939	4.7
128.06194	1.0
129.07005	1.6
131.08577	14.9
133.05011	2.9
133.10133	12.4
135.08054	24.6
135.11668	3.6
137.05969	3.0
137.09575	1.2
139.03893	0.9
143.08586	3.9
144.09296	1.1
145.04984	3.2
145.10120	6.3
147.04370	1.2
147.08011	0.8
147.11670	4.0
149.09608	8.8
149.13254	3.1
155.14270	0.7
156.09320	1.0
157.04909	0.7
157.10086	1.1
158.10924	5.8
159.11687	1.2
161.09654	1.0
161.13138	0.7
163.03914	1.2
163.11165	1.4
163.14828	2.5
171.11700	2.0
173.13264	34.5
175.14807	1.0
181.05040	0.6
182.15378	2.2
185.13245	1.7
187.14758	1.2
189.12770	1.7
191.14305	100.0
192.14656	1.8
199.07602	0.7
209.16515	1.2
210.14890	1.9
211.15382	0.7
215.14282	1.0
231.54538	0.6
287.16467	0.8
288.12723	0.6
291.10077	0.8
305.17450	9.7
323.12640	1.6
453.34363	5.1
454.34637	2.7
485.24756	6.3
485.31619	1.2
485.32803	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	1.5
54.10816	1.5
55.05515	5.3
56.96569	2.1
57.03439	5.1
57.07082	6.2
67.05503	13.8
69.03424	12.1
69.07066	18.3
69.26889	6.2
71.04988	15.7
71.08637	3.2
73.02906	2.7
79.05478	6.5
81.07056	88.5
82.07358	1.3
83.08604	3.0
85.02904	10.4
85.06541	37.8
86.09719	3.8
87.04478	4.0
91.05511	1.3
93.07078	1.6
93.50999	1.4
95.04987	1.5
95.08601	56.6
96.08978	1.4
97.02894	8.3
97.10162	2.1
98.17187	1.2
98.23428	2.7
99.08098	18.7
102.59282	1.3
107.08639	1.4
109.10139	7.6
111.11728	3.5
115.03938	5.6
123.18418	1.3
125.00014	2.8
125.09647	4.3
126.09996	2.8
127.03929	2.8
127.11169	2.4
133.04964	5.6
137.09653	2.5
137.13243	30.3
139.11209	2.4
143.14337	2.9
155.10722	2.7
155.14302	98.4
156.11050	1.5
157.12172	1.4
163.03947	1.6
173.11862	2.6
173.15370	100.0
174.12067	1.7
174.15782	3.0
184.07338	10.2
191.16406	57.7
192.16919	1.3
212.47533	1.3
237.00839	1.3
323.23691	1.2
353.21762	4.0
425.07394	1.6
485.15021	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	485.2594
Annotation	25-Hydroxyhalisulfate 9
Peak:m/z	Relative Intensity
55.05504	4.6
56.76888	1.4
57.03427	4.2
57.07078	6.8
59.05002	2.3
67.05498	12.5
69.03418	8.2
69.07070	21.0
69.80065	3.5
69.80408	2.4
71.04993	16.0
71.08631	3.1
79.05489	4.2
81.07056	96.7
83.08611	3.4
85.02917	11.2
85.06539	32.0
86.09708	2.5
87.04456	4.4
91.05472	5.0
95.08601	60.4
95.09217	3.0
95.70786	1.5
97.02905	8.5
97.10175	2.2
98.22778	1.8
99.04430	1.3
99.08082	19.1
109.10142	7.4
110.10396	1.8
111.11730	4.2
115.03943	7.0
125.13216	2.2
127.03889	1.7
133.04956	5.5
137.13251	31.1
138.09911	2.2
143.14305	5.4
151.32448	1.3
155.01837	2.0
155.10666	2.4
155.14304	100.0
156.10939	1.8
163.03864	1.8
173.15372	98.4
174.12061	1.6
184.07327	7.1
191.16406	64.2
223.63387	1.3
311.09677	3.4
425.12924	5.9
462.87350	1.4
485.14307	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	485.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.4
57.03193	0.7
57.03441	9.4
57.07076	27.3
67.05492	5.6
69.07083	4.2
69.17954	3.8
71.08276	1.2
71.08634	18.7
73.41889	0.7
79.05489	0.8
81.07057	6.8
83.08624	5.5
85.10182	9.5
89.06021	1.9
95.08601	9.9
97.10148	2.8
98.98451	5.4
103.07555	1.9
109.10162	4.1
109.17537	0.6
111.11696	0.8
120.97897	0.6
123.11682	2.0
137.13297	0.7
150.66780	0.7
155.01047	2.8
238.36055	0.7
239.23581	1.1
257.24713	1.5
274.13406	0.7
313.27356	100.0
314.27707	2.2
475.20560	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35277	0.7
55.05515	4.2
57.03437	9.2
57.07074	24.5
59.43626	0.7
67.05506	5.4
69.07069	4.7
69.30055	0.6
69.37926	3.6
71.08625	17.6
75.04481	0.9
81.07054	8.3
83.08619	4.9
85.10178	9.6
88.76099	0.7
89.06001	1.6
90.49152	0.7
95.08604	8.9
97.10162	2.5
98.98466	3.9
103.07569	1.1
109.10159	3.8
123.11703	1.3
137.13225	0.8
155.01004	2.6
239.23750	2.1
242.96907	0.7
257.24756	2.2
266.82523	0.8
313.27341	100.0
314.27664	3.1
376.84396	0.7
449.26822	1.3
452.28275	0.8
485.32428	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.36
Annotation	Fomlactone B
Peak:m/z	Relative Intensity
63.30030	0.6
69.98493	1.4
69.98860	1.4
88.29394	0.7
95.08636	0.8
191.40086	0.7
207.02553	0.7
278.07846	0.7
343.23154	0.7
485.36005	100.0
486.36478	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	485.3604
Annotation	Fomlactone B
Peak:m/z	Relative Intensity
57.07068	0.5
63.91212	0.4
69.64247	1.3
69.64648	0.8
88.07632	0.7
94.53723	0.4
94.62043	0.5
98.78024	0.4
102.09170	0.6
121.25475	0.5
136.00795	0.5
199.42960	0.5
200.20125	0.7
228.23215	1.0
266.22305	0.4
283.26343	0.9
284.26761	0.6
311.29489	0.8
312.29984	0.5
317.98297	0.5
445.62079	0.5
484.47430	2.2
485.36032	100.0
485.47638	4.0
486.36386	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	486.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.3
56.48833	3.9
56.94794	3.9
57.03435	10.5
57.07073	4.1
61.02914	6.7
67.05509	4.7
69.03427	17.4
69.07074	5.2
69.30430	20.5
73.02924	4.4
77.32866	3.4
79.05500	10.3
81.03424	13.5
81.07043	7.1
83.04979	4.7
85.02908	100.0
91.03959	7.0
91.05493	14.2
93.07053	5.9
95.08598	7.6
95.99889	3.7
97.02895	31.7
99.04446	9.1
105.07047	20.1
107.04977	14.3
107.08598	8.0
109.02885	11.0
109.06564	4.7
110.14299	3.6
115.05450	4.7
117.07016	5.5
119.08561	7.1
121.06480	4.4
121.10163	4.9
127.03918	30.0
129.07019	5.0
130.06514	4.3
130.48254	3.8
131.08643	8.5
133.06479	10.0
133.10115	5.4
134.54178	3.3
136.55727	4.2
137.05946	3.9
137.09630	4.5
141.06999	13.5
143.08591	9.4
145.04965	50.9
145.10146	5.6
155.08580	6.1
159.08092	6.8
161.05937	8.4
161.09671	5.1
163.03902	6.8
163.06047	15.3
163.07486	8.0
165.05475	39.6
183.11717	10.6
189.05571	4.9
191.10733	4.5
193.08629	17.4
194.08119	6.0
195.08928	16.2
201.12805	10.1
205.12170	3.9
211.11197	11.0
229.12276	15.1
243.13760	3.8
257.11688	15.6
275.12836	12.8
289.14386	6.1
312.05887	4.6
379.34833	3.8
406.39459	4.8
486.22784	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	486.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.6
55.05508	23.2
57.03460	3.7
63.93636	3.2
64.73112	3.1
67.05513	11.1
69.07086	8.4
69.50224	7.4
69.50610	7.3
72.23316	3.6
72.72436	3.1
79.05511	13.1
81.03418	6.4
81.07047	18.1
83.08619	15.3
85.71661	3.0
87.13028	3.9
91.05479	13.5
93.07040	12.6
95.01335	9.3
95.04965	7.0
95.08611	5.5
97.06511	3.9
98.00562	3.3
98.22763	7.6
100.30226	3.4
105.03378	6.1
105.07032	10.3
107.08581	6.9
109.06528	4.9
109.10166	7.9
117.07021	6.3
119.08591	14.9
119.41096	3.6
121.06456	4.1
121.10140	5.6
127.11211	5.7
129.07043	3.4
131.08549	6.1
133.10127	5.7
143.08598	4.8
145.06506	5.4
145.10123	6.4
147.07997	3.7
147.11699	7.0
149.06075	4.1
149.09602	3.9
151.03914	4.1
157.10127	3.4
159.08069	4.4
161.51276	3.2
165.05493	4.3
165.12779	5.2
169.10197	4.8
173.09621	6.2
175.11197	5.4
177.01816	6.9
187.07562	4.1
187.11250	10.0
189.09111	3.9
197.09718	3.7
199.11212	3.7
201.09154	5.3
215.10690	9.7
225.09019	8.8
227.10634	3.9
243.10162	18.5
253.08643	3.2
261.11206	11.3
271.09534	4.3
289.10645	11.6
307.11743	11.4
324.68439	3.7
325.12772	100.0
345.13522	3.7
363.14218	10.9
377.99979	3.2
379.18634	4.1
387.21948	4.1
397.19897	6.6
404.88589	3.8
415.21173	37.5
430.72964	4.0
433.22314	28.0
451.23279	65.3
469.24268	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	486.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15751	2.6
54.52061	2.2
55.05510	29.5
57.03431	7.2
57.07075	20.6
61.17836	2.3
67.05477	2.6
69.03429	24.3
69.07072	26.2
71.08640	3.4
73.02900	4.5
81.03416	2.6
81.07063	11.5
83.08617	100.0
85.02908	17.2
85.36449	2.3
87.04472	16.3
89.31814	2.6
93.07011	2.3
97.02898	25.3
97.06527	3.1
97.10162	27.9
98.22691	5.0
109.02937	2.8
115.03949	26.3
127.03895	4.0
128.02742	2.6
133.04942	18.3
135.04442	4.7
137.05948	4.1
139.80876	2.2
145.04936	3.3
155.14310	6.7
156.14609	3.9
157.15875	92.4
163.03896	31.0
173.15363	9.1
174.15707	5.6
175.16957	63.2
218.34756	2.7
259.09726	8.2
287.56082	2.9
384.23529	2.4
486.19904	3.1
487.21255	11.2
489.80237	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	487.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.0
55.01860	1.5
55.68965	0.4
57.00116	0.4
57.03436	2.5
57.47060	0.4
61.02916	0.6
67.05521	0.4
69.03078	0.7
69.03433	13.3
69.07078	0.6
69.67061	1.5
71.01339	1.0
71.04994	5.6
72.08140	0.6
73.02887	1.3
76.69692	0.4
81.03416	16.1
81.07042	0.9
85.02924	3.0
86.09690	1.4
87.04445	0.6
91.05437	0.4
96.08950	0.4
98.22761	0.9
99.04459	7.5
101.54055	0.4
111.11668	0.6
115.03672	0.4
116.04929	0.8
117.03384	0.6
117.05521	2.2
118.06528	2.8
125.00011	0.6
127.11252	0.7
129.27771	0.4
136.42235	0.5
140.11546	0.5
145.02879	0.6
145.04936	0.7
145.07605	6.9
147.09166	6.0
148.78166	0.5
155.14330	0.6
162.07921	1.2
163.03917	5.3
163.08633	2.2
173.07111	8.8
173.15311	0.6
175.08678	5.5
180.87042	0.5
181.03131	0.5
181.04865	0.4
184.07359	2.7
185.07616	1.1
191.08151	100.0
192.08531	2.0
193.04990	0.9
211.93040	0.4
213.10202	0.9
215.11774	0.6
219.01953	0.5
231.11288	0.7
233.09158	1.1
243.11346	0.5
289.11737	1.6
307.12872	26.3
325.13931	77.8
326.14105	2.5
334.42648	0.5
487.17593	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	487.1945
Annotation	Rutaevin
Peak:m/z	Relative Intensity
54.36218	0.5
55.01868	0.7
55.05511	1.3
57.07067	0.8
58.37252	0.6
59.73647	0.6
60.77449	0.7
67.05492	1.9
69.03425	0.6
69.07063	2.5
71.04980	1.0
79.05502	2.8
81.03401	0.9
81.07063	4.5
83.04988	1.7
85.02908	1.7
86.09698	2.3
89.03954	0.9
91.05484	2.7
93.07028	3.8
95.04967	1.8
95.08608	3.9
97.06526	1.5
98.22704	2.5
98.97555	1.2
105.07032	4.3
107.04969	1.4
107.08604	2.0
108.08931	0.6
109.06516	1.4
109.10155	2.6
110.97533	1.0
111.08067	0.6
117.06969	0.7
119.08559	3.7
121.06512	0.8
121.10126	2.0
123.11716	1.5
125.05933	0.7
131.04971	1.3
131.08595	3.0
133.02864	0.6
133.10115	1.8
135.04414	1.8
135.08018	0.9
135.11746	0.7
137.05948	1.6
137.13220	1.0
139.11195	0.6
145.02834	0.6
145.10086	1.4
146.98192	1.9
147.08029	2.2
147.11739	1.4
149.05972	3.5
149.09645	0.7
149.13220	0.9
157.10210	1.0
158.96445	0.7
159.11678	2.2
161.05962	0.6
161.13191	1.6
163.03909	8.1
165.05496	1.0
165.09024	0.7
167.65897	0.6
170.99655	0.9
173.13261	2.8
181.05128	0.7
187.14838	1.1
189.12779	1.2
200.64011	0.7
201.12733	1.7
207.13771	2.2
219.13777	4.7
235.96390	0.6
245.11653	0.6
249.02843	1.7
289.21463	0.6
291.03714	0.8
304.16022	1.8
307.00986	0.7
349.05365	6.3
361.87698	0.6
362.53888	0.7
423.28949	2.0
427.18973	0.8
428.15582	2.0
441.30130	4.8
451.92914	0.6
487.19363	100.0
487.32172	4.2
488.20010	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	487.1943
Annotation	Rutaevin
Peak:m/z	Relative Intensity
55.05499	1.4
56.96053	1.0
67.05494	2.1
69.03419	1.1
69.07076	1.8
69.99190	1.5
69.99522	1.4
79.05485	2.4
81.03429	1.3
81.07052	3.9
82.89314	0.7
83.04953	1.0
85.02929	1.6
86.09702	1.4
89.03934	0.9
91.05470	2.2
93.07030	3.1
95.04980	1.6
95.08600	3.2
97.06541	1.7
98.97575	2.1
105.07030	4.0
107.04959	5.7
107.08595	2.5
109.02888	1.1
109.06531	1.1
109.10178	1.7
117.07037	1.4
119.08572	2.0
121.10119	2.3
123.08072	1.0
131.04910	0.8
131.08582	2.3
133.06564	0.8
133.10075	1.8
135.04366	1.6
135.11665	1.2
137.05968	2.6
145.10121	2.5
147.04283	0.8
147.11688	1.6
149.09630	1.1
151.03831	1.1
157.10100	1.1
159.11696	7.4
161.13257	1.3
163.03917	3.2
165.05495	4.3
165.09142	2.1
167.07127	1.1
173.13274	1.8
177.05496	0.9
182.10918	0.9
209.07976	1.5
305.83621	0.9
323.11139	1.4
339.13062	0.7
354.39404	1.0
355.14172	1.2
409.18033	0.8
423.29199	1.3
455.12686	1.7
487.19376	100.0
488.19342	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	487.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10614	1.4
56.96566	1.5
67.05517	1.8
69.03399	1.7
69.94716	2.9
69.95046	1.4
79.05506	2.8
80.12210	1.2
81.07050	4.8
85.02914	1.8
86.09711	9.6
87.10020	2.2
91.05475	3.5
93.07055	3.3
95.04951	3.8
95.08611	4.9
95.45657	1.2
98.97557	6.1
99.03837	1.2
105.07041	3.2
107.04951	6.7
107.08614	3.2
109.10135	2.6
116.18262	1.3
117.07025	2.0
119.04956	3.0
119.08541	2.0
121.06517	2.3
125.00005	7.3
125.13328	1.4
131.08594	4.0
131.17250	1.4
133.10146	1.9
135.08090	1.5
136.73346	1.3
137.05945	1.5
143.00148	1.7
145.10147	2.0
147.04408	9.5
158.99638	1.9
159.11650	4.6
161.01158	1.3
163.03940	3.2
165.05469	8.2
165.09169	2.3
167.07082	1.7
171.12996	1.5
177.00674	1.8
184.07349	24.4
185.07712	5.6
201.00714	1.6
209.08121	2.8
219.01828	1.7
245.47348	1.6
249.02914	3.0
271.05942	7.3
291.03848	4.8
301.24915	1.3
455.26093	3.1
472.84256	1.4
487.19470	100.0
488.20026	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	487.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
63.24973	0.3
69.03418	0.5
69.07045	0.5
69.22059	1.8
79.05480	0.5
81.07047	0.9
84.73717	0.4
85.02898	0.5
93.07056	0.8
97.02874	0.5
107.08615	0.6
135.04430	0.8
145.02817	0.7
154.58109	0.4
163.03912	4.5
191.14320	0.8
192.14568	0.5
193.14984	0.5
201.03760	1.5
203.05296	0.8
217.03008	0.4
275.07141	0.7
333.07907	36.8
334.08249	0.7
335.09460	11.7
335.13281	0.8
459.13925	0.4
482.50323	0.5
487.21490	100.0
488.21805	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	487.2367
Annotation	Pandangolide 4
Peak:m/z	Relative Intensity
55.05475	0.3
56.96564	20.6
57.04584	0.5
58.81109	0.4
70.40130	1.0
71.95220	0.6
74.97594	0.8
80.45293	0.3
84.96027	0.6
91.05421	0.4
99.65862	0.4
105.00116	1.1
110.97531	0.9
119.01671	0.7
123.01126	1.1
127.00627	0.5
128.98627	0.5
137.02684	1.3
139.00656	2.5
141.02219	0.9
144.22408	0.5
144.85973	0.4
151.00668	1.6
153.02223	7.8
155.03749	1.3
157.01707	2.2
159.03223	0.4
163.04167	0.6
165.02269	0.9
167.03836	2.7
169.01724	1.8
171.03297	9.5
172.11813	0.4
173.04857	1.2
175.02769	0.5
179.03802	0.9
181.05383	2.3
183.03242	1.8
185.04863	6.6
187.02734	0.4
189.04355	2.2
189.05838	0.6
191.07457	0.4
194.04840	0.5
197.04816	2.6
199.06425	5.6
201.04323	0.8
203.05901	4.7
203.07553	0.8
207.06905	2.6
209.08478	1.3
211.06322	1.0
215.05890	1.3
217.07401	3.5
217.09146	0.6
219.10649	1.0
221.04996	0.5
221.08490	1.5
225.07951	4.0
227.09518	0.8
231.06955	0.7
233.08540	2.9
235.10068	1.8
237.07982	2.2
237.11569	0.4
239.09496	0.7
243.08990	0.9
245.08498	2.2
251.09563	5.4
253.11156	2.5
255.09064	0.7
263.09503	17.6
267.09140	0.4
269.10696	1.4
271.11850	0.4
281.10593	100.0
282.10876	1.4
299.11649	47.7
300.12015	0.9
304.12177	11.0
322.13263	2.6
345.09933	0.9
451.29041	0.4
463.87759	0.4
487.23669	54.6
488.23956	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95458	0.4
67.05492	1.6
69.47875	1.1
69.48260	1.0
72.83098	0.4
78.52830	0.5
79.05486	1.2
81.07053	1.6
83.08585	0.6
83.78214	0.4
91.05497	0.9
93.07037	1.0
95.08610	1.2
97.06573	0.5
98.52306	0.4
105.07039	1.1
107.08663	0.5
109.10165	0.6
115.03716	1.3
119.08652	0.4
121.10130	0.6
125.06006	0.5
133.10150	0.4
135.07922	0.4
135.53435	0.4
145.10139	0.5
155.01012	0.6
161.13306	0.5
201.42439	0.4
305.44235	0.5
487.28793	100.0
488.29092	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06454	1.2
53.03936	1.5
55.01862	1.9
55.05511	21.2
57.03445	1.8
57.07069	6.4
59.04572	1.5
59.05015	2.0
67.05508	28.9
69.03434	15.3
69.07066	28.3
69.13561	1.3
69.39265	6.6
71.04997	4.7
71.08632	3.1
76.81911	1.4
79.05485	17.2
81.03429	2.0
81.07058	100.0
83.04990	5.2
83.08621	15.5
85.02909	13.3
85.06544	6.6
91.05479	9.4
93.07045	27.5
95.04980	4.7
95.08607	89.7
96.08932	2.1
97.02894	4.0
97.06537	14.7
97.10176	9.8
98.22719	3.1
99.04433	1.4
99.08107	4.6
105.07035	21.3
107.04951	2.1
107.08591	38.5
109.06512	4.3
109.10156	55.3
111.08070	9.2
111.11734	4.7
117.07008	2.8
118.55305	1.4
119.08579	20.7
121.10152	23.7
123.08092	5.0
123.11703	34.8
125.09628	18.6
127.03916	2.1
127.11229	1.7
131.08607	3.2
133.10123	14.4
135.04425	2.6
135.11688	18.2
137.06001	1.9
137.09659	2.6
137.13240	16.6
139.11197	7.2
143.08585	1.6
145.04913	2.2
145.10112	9.1
147.11678	8.3
149.09694	1.7
149.13255	24.1
151.03854	2.2
151.11201	6.7
151.14821	12.8
153.12770	6.4
159.11711	9.0
161.09619	1.8
161.13289	9.6
163.03880	11.9
163.14824	11.2
164.07065	3.2
165.12782	6.9
165.16409	2.2
167.14365	1.9
173.13351	7.8
175.14841	8.2
177.16389	2.9
179.17963	2.0
187.14859	5.4
189.16425	4.3
191.17906	3.6
193.15938	1.8
193.19498	1.8
198.15848	1.9
201.12839	2.0
201.16400	6.4
203.17973	10.6
205.19542	2.9
207.17326	1.5
215.18013	7.7
229.19408	1.4
231.21111	2.6
259.24286	7.7
260.10056	1.6
263.23807	2.3
271.24194	16.8
277.25269	26.1
289.25293	22.7
301.37744	1.3
307.26279	15.9
316.22916	2.4
334.23727	10.4
369.54398	1.6
395.43109	1.5
487.24945	11.3
488.24149	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.6
55.01868	2.9
55.05508	18.1
55.79668	2.0
57.03434	4.1
57.07092	8.1
61.02908	2.0
65.03941	1.7
67.05502	33.2
67.48314	1.6
69.03433	19.1
69.07067	29.5
69.18574	1.6
69.19074	3.2
69.19475	8.6
71.04984	6.2
71.08663	2.5
79.05492	18.3
81.03426	5.4
81.07058	95.7
83.04990	3.6
83.08628	11.7
85.02917	14.9
85.06551	7.6
85.46283	1.6
91.05474	11.0
93.07043	27.0
95.04981	2.7
95.08606	100.0
97.02886	5.0
97.06531	20.0
97.10176	10.8
99.08085	3.9
105.07032	18.2
107.04944	3.1
107.08591	43.9
109.06543	6.9
109.10155	62.2
109.10892	4.0
111.08083	12.6
111.11732	3.2
117.07021	2.9
119.08581	21.0
121.10147	25.0
123.08061	6.0
123.11706	43.1
125.09638	18.2
127.03962	3.1
127.11233	3.2
131.08568	4.8
133.02866	2.4
133.10118	14.8
135.11697	17.5
137.05934	1.9
137.09679	3.1
137.13266	20.6
139.11188	7.5
145.02785	2.4
145.10092	10.5
147.11702	16.1
149.13251	28.7
149.43185	1.8
151.11200	6.5
151.14835	13.4
153.12743	5.1
159.11696	16.9
161.13258	12.5
163.03905	15.8
163.11096	1.9
163.14787	8.8
165.05466	3.8
165.09129	3.4
165.12766	7.6
167.14247	2.7
173.13211	8.2
175.14828	13.9
177.16364	2.9
187.14844	5.8
189.16409	4.5
191.17949	4.6
193.15808	2.7
201.16353	7.4
203.17909	10.1
205.15794	1.8
205.19550	5.3
215.18001	9.3
233.19054	2.4
234.94730	1.9
259.24371	9.7
259.26669	2.2
271.24210	16.6
277.25235	23.6
289.25284	21.3
307.26324	15.5
351.44940	1.6
487.21243	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	488.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07046	0.2
57.76171	0.2
58.07159	0.2
61.69997	0.2
64.64859	0.2
67.05476	0.5
69.07029	0.5
80.68885	0.2
81.07013	1.0
91.05444	0.5
93.06995	0.4
95.04964	0.3
95.08560	0.7
98.98458	1.6
105.07012	0.4
109.10120	0.3
117.05695	0.5
118.06561	3.7
119.04874	0.5
121.10184	0.3
123.11649	0.6
124.99186	0.4
125.00006	6.3
130.06543	0.5
131.07256	1.0
132.08080	1.5
133.08835	0.4
135.11609	0.3
144.08090	6.5
145.08868	0.5
145.10039	0.4
146.09616	1.4
147.04385	1.5
158.09644	4.9
159.10368	1.2
159.11699	0.6
160.11136	1.0
161.13219	0.3
162.09137	3.3
169.12204	0.3
172.11218	2.9
173.11786	0.3
174.12712	0.5
176.10690	3.6
177.11412	1.1
178.12424	0.3
186.12814	1.5
188.14326	0.3
190.12254	2.0
191.13042	0.3
200.14368	0.3
204.13860	0.5
228.17505	0.3
244.20515	0.8
270.22278	0.4
272.20099	9.7
290.21143	3.4
298.21661	8.4
299.22177	0.3
316.22705	29.5
317.22977	1.3
334.23752	100.0
335.24103	3.8
348.17841	0.3
360.17392	0.3
378.18240	0.4
396.19327	3.5
406.28189	0.3
414.20435	3.1
424.29379	1.3
426.30746	0.3
470.22931	1.1
488.24100	36.1
489.24423	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
63.08754	0.3
67.05459	0.4
67.32578	0.3
68.77501	0.2
71.00887	0.3
81.07009	0.3
91.05438	0.3
93.07001	0.3
98.14928	0.3
98.98470	1.8
105.06994	0.5
106.06509	1.0
117.05711	0.3
118.06563	2.1
119.07186	0.3
123.31752	0.3
124.99174	0.5
125.00000	5.7
130.06526	0.3
131.07288	1.1
132.08057	1.2
133.08795	0.4
134.09636	0.3
144.08076	6.1
145.08792	0.5
146.09662	1.9
158.09630	3.0
159.10382	0.6
159.11620	0.4
160.11195	2.1
162.09143	3.3
163.03867	0.4
163.09892	0.3
172.11214	8.3
174.12743	0.4
176.10703	2.1
186.12715	1.3
188.14363	0.3
190.12274	6.7
200.14268	0.5
204.13820	1.0
214.15848	0.5
244.20570	1.7
272.20074	11.3
273.20422	0.5
290.21170	1.4
298.21625	8.3
299.21927	0.3
316.22696	29.0
317.23059	0.8
334.23743	100.0
335.24094	3.2
360.17291	0.3
396.19363	3.2
414.20401	2.0
455.08954	0.3
458.67902	0.3
470.23239	1.3
488.24066	32.4
489.24112	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.05511	0.6
57.07099	0.4
66.29068	0.3
67.05505	1.0
69.03430	1.2
69.07066	0.9
69.20634	1.2
69.21040	0.6
71.04999	0.5
74.60510	0.3
75.08195	0.3
79.05488	0.7
81.03413	1.2
81.07068	1.5
83.05003	0.4
83.08588	0.6
85.02905	1.9
85.06531	0.4
86.09688	3.1
91.05490	0.9
93.07044	0.8
95.04984	1.6
95.08591	1.7
97.02881	0.9
97.06494	0.4
103.05489	0.6
105.07041	1.0
106.07211	0.3
107.04949	0.6
107.08575	0.9
109.02884	0.6
109.06535	0.6
109.10160	2.1
114.05539	0.3
119.08604	0.6
121.10156	1.1
121.47231	0.3
123.11658	0.8
125.09594	0.4
127.03853	0.7
131.04918	0.8
133.02902	0.4
133.06477	0.5
133.10176	0.4
135.04317	0.4
135.08023	0.4
137.05988	1.8
137.09583	2.1
137.13219	0.5
139.50681	0.4
145.02843	0.4
145.04973	0.3
147.04471	0.4
149.09598	0.5
151.03917	1.1
153.12744	0.4
158.16122	0.4
159.08052	0.4
163.03888	2.9
164.04228	0.4
165.09090	2.9
177.05475	0.5
240.09677	0.3
256.16605	0.5
261.03830	0.3
277.10852	0.4
278.11005	1.4
284.15991	1.0
357.18826	2.2
476.19604	0.4
489.23035	100.0
490.23279	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01873	1.0
55.05494	2.3
57.03436	1.4
57.07067	1.3
57.98794	1.1
58.99587	28.8
59.05003	1.2
60.72318	0.8
61.02913	1.8
65.03938	0.9
67.05499	1.4
69.03429	87.6
69.07066	2.2
69.16528	4.9
73.01134	1.3
79.05507	2.2
81.03415	1.7
81.07058	6.7
82.04387	0.8
83.04945	0.9
83.08614	1.9
85.01121	1.7
85.02905	12.8
86.99054	40.9
87.04468	20.9
89.04259	1.1
91.05474	3.7
93.07042	2.6
93.27892	0.8
95.04987	1.1
95.08601	5.9
97.02886	3.4
97.10187	0.9
99.02697	5.1
99.04418	1.2
103.02162	1.4
105.00089	92.7
105.07022	2.1
107.08580	2.6
109.02887	1.6
109.10157	3.6
111.08114	0.9
117.03709	11.2
117.06996	2.4
119.01649	2.3
119.08576	29.5
121.10120	2.9
123.11707	2.9
127.03914	1.3
131.08534	1.3
131.47717	0.8
133.10138	1.9
135.11705	1.3
136.65916	0.7
137.09621	7.1
137.13252	1.5
143.08679	0.9
145.03186	16.2
145.04933	0.8
147.08049	100.0
147.11678	2.2
148.08423	1.5
149.02684	13.0
149.13260	0.9
153.12700	0.9
159.51138	0.8
161.13254	7.6
163.04242	47.2
165.09120	10.3
166.09442	2.7
171.11670	0.9
189.12741	60.8
191.03725	61.4
221.09924	3.2
265.12610	1.9
311.13135	11.9
349.23746	1.3
444.62003	0.8
500.35141	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85733	0.7
55.01875	0.8
55.05500	1.9
56.03183	0.6
57.03439	10.9
61.02922	1.9
69.03429	3.5
69.41546	3.3
70.40266	0.6
71.01351	1.1
71.04993	64.3
73.02919	3.2
75.04482	6.3
81.03443	1.4
83.04980	6.9
84.04488	0.6
85.02904	100.0
86.03226	0.9
87.04465	3.1
92.47247	0.7
95.04995	0.8
97.02896	5.4
99.04474	1.8
103.03970	1.2
109.02887	1.3
111.04424	4.1
112.30521	0.6
124.05206	1.1
127.03895	5.0
129.05478	45.5
137.05995	2.1
138.95369	0.6
145.04959	3.6
146.08134	2.0
147.06526	26.5
163.05988	1.1
164.09187	4.3
165.07854	0.7
165.09097	3.7
180.08751	1.1
189.09244	0.9
251.00652	0.8
255.08685	2.6
273.09692	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
55.05256	1.7
55.05511	25.4
57.03432	7.4
61.02880	1.0
65.03947	1.9
67.05499	1.7
69.03441	5.7
69.07076	2.0
70.06590	1.6
70.46838	2.1
71.01355	1.2
71.04994	16.0
72.08155	1.4
73.02915	3.5
73.06548	6.4
75.04475	7.8
79.05453	1.4
81.03411	2.0
81.07047	3.2
83.04987	4.1
83.08636	1.5
85.02906	39.8
85.06535	1.4
87.04478	3.7
91.05473	1.7
93.07042	2.6
95.08611	1.2
97.02890	11.5
99.04458	1.1
100.11253	1.3
101.06025	1.5
105.07038	1.3
107.04950	1.6
107.08573	1.5
109.02907	1.7
109.10154	1.0
111.04449	2.8
111.08106	1.0
115.02869	0.9
115.03899	4.6
115.14152	1.0
120.08108	5.3
121.02860	1.4
121.06517	1.2
121.10139	1.9
122.10452	1.1
123.11721	1.2
123.64175	0.9
126.48172	0.9
127.03916	3.6
129.05476	12.5
133.04967	3.2
133.10159	1.2
137.05972	3.6
145.04979	4.3
145.06650	1.0
147.04445	1.8
147.06514	4.3
149.02341	100.0
150.02693	1.8
150.07552	1.4
160.97339	2.4
161.09615	1.1
163.03865	2.3
165.09163	2.1
167.03389	2.0
167.07021	2.8
175.07504	1.1
175.83214	0.8
179.03482	1.0
180.80276	0.9
181.04961	2.6
191.07071	1.7
203.07030	3.1
204.06435	1.0
209.16464	0.9
221.08078	30.2
232.89000	0.9
287.21130	2.9
293.13815	13.5
293.65530	0.9
303.68927	1.0
311.14917	1.2
326.14359	1.3
347.23111	1.5
490.23187	5.3
490.29514	1.8
491.19043	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.7
56.05032	0.5
58.06608	0.5
60.08165	6.3
62.34035	0.2
67.05495	1.4
68.54729	0.2
69.07070	0.4
69.62360	0.8
71.07376	2.5
79.05485	1.0
81.07055	0.8
83.08629	0.3
86.09708	30.9
88.85297	0.2
91.05481	0.4
93.07040	0.9
95.08614	0.8
98.98457	2.6
104.10749	2.8
107.08578	0.3
109.10137	0.5
119.08560	0.4
121.10143	0.4
125.00004	20.9
129.10001	0.2
143.01100	0.3
149.02351	0.3
165.27524	0.2
172.40742	0.2
184.07343	100.0
185.07693	0.9
208.46556	0.2
242.36357	0.2
349.27246	1.2
449.17270	0.3
472.27921	0.9
473.14240	0.3
490.29013	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	490.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	18.4
57.03430	5.3
67.05219	3.9
67.05506	48.2
69.03422	8.3
69.07055	20.9
71.04996	5.5
79.05477	34.1
81.03406	11.1
81.06570	4.8
81.07052	73.5
83.04959	7.4
83.08597	10.3
85.02896	17.3
91.05470	31.6
93.07037	44.3
95.04948	12.1
95.08616	23.6
97.06519	11.7
99.08065	5.4
105.07032	32.2
107.08576	29.2
109.06498	12.8
109.10147	16.7
110.51047	4.4
111.08064	7.8
117.07018	7.8
119.08584	24.7
121.10115	17.0
123.08060	8.2
125.09579	4.0
126.07140	3.7
131.08559	15.6
133.06453	5.1
133.10095	29.2
135.08072	4.9
135.11674	18.2
140.27866	4.1
145.04947	5.4
145.10089	9.4
147.11658	13.3
149.09610	8.1
149.13264	22.0
157.10175	9.0
159.11684	13.2
161.13353	4.2
163.11122	11.2
165.09105	11.3
173.13214	5.3
177.12769	7.9
181.12209	19.5
195.13780	39.9
211.13246	5.7
213.14789	11.1
235.16936	9.0
247.81424	3.9
257.18942	10.7
275.20071	100.0
293.21133	33.6
334.50079	4.1
347.26236	4.3
406.89700	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	490.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.4
58.73489	0.7
64.43484	0.7
67.05491	2.1
69.07064	1.1
73.16862	0.7
77.40242	0.7
79.05511	0.8
81.07038	2.3
83.08593	2.6
85.06538	2.2
93.07026	3.0
95.04974	1.4
95.08611	6.8
98.98450	0.9
105.07016	2.8
107.08568	4.0
109.10137	3.1
119.08602	6.0
121.06493	4.8
121.10149	3.3
123.08060	4.2
131.08546	2.5
132.31032	0.8
133.10126	6.2
135.08061	1.9
137.09604	12.2
142.30161	0.8
145.10094	6.9
147.08055	1.6
147.11665	1.4
149.09573	1.5
157.10091	1.8
159.11652	4.4
161.09573	1.6
161.13235	1.3
165.09132	8.8
172.12433	2.1
173.13251	0.8
175.11209	1.2
175.14822	3.3
187.14780	13.9
189.12613	0.7
189.16386	1.4
197.13200	1.2
201.12721	0.8
203.14301	15.2
215.14314	21.5
217.15863	1.5
233.15331	17.9
259.16904	2.7
304.83978	0.8
323.23788	0.9
335.23550	1.4
341.24719	9.3
353.24677	12.2
371.25787	100.0
372.26251	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	491.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40392	0.8
55.75233	0.8
57.03421	1.3
61.02899	1.0
62.48022	0.7
64.48201	0.8
67.05518	1.2
69.03431	2.0
70.06573	1.0
71.04986	2.8
73.02910	1.2
78.73462	0.8
79.05488	3.1
81.03426	1.1
81.07049	3.6
82.22801	0.8
83.04973	1.2
85.02891	3.5
91.05482	1.8
93.07037	1.8
95.04984	6.4
95.08602	4.1
97.02898	8.0
98.22708	2.0
99.04472	2.8
100.47596	0.9
105.07035	4.9
107.04933	1.8
107.08607	1.0
109.02891	2.0
109.06513	3.5
111.08094	14.5
121.06478	0.9
123.04431	1.9
123.08084	2.5
125.06001	0.9
127.03921	84.8
133.06494	2.8
137.06000	1.9
149.02322	1.3
151.03889	3.9
151.07547	6.1
153.05482	1.7
161.05988	1.7
163.03935	3.7
164.04259	1.0
167.07112	1.4
169.05058	1.2
169.08499	1.4
179.07063	13.2
181.05002	1.2
197.08101	100.0
198.08466	1.8
352.92200	0.9
359.13477	2.6
491.20895	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	491.176
Annotation	6'-O-beta-Apiofuranosylsweroside
Peak:m/z	Relative Intensity
52.46933	1.3
67.05506	2.4
69.03420	2.7
69.49928	4.8
71.04991	3.4
75.51909	1.4
79.05506	2.9
81.07051	3.6
85.02897	4.3
91.05476	2.0
95.04974	6.5
95.08615	2.9
97.02893	5.6
98.22754	3.2
99.04478	2.4
105.07034	4.6
107.08616	2.8
109.02889	2.0
109.06549	3.1
111.08078	12.4
117.03412	1.5
121.06464	1.8
123.08086	4.3
127.03909	80.9
133.06483	1.9
133.10107	3.3
135.04387	3.3
135.11702	3.1
137.06035	1.8
145.02771	1.5
147.04424	1.9
151.03937	4.2
151.07574	4.9
153.05394	1.7
163.03917	12.1
177.05435	1.6
179.07033	13.8
179.10672	4.1
181.05002	1.6
197.08084	100.0
197.11725	20.4
215.50908	1.4
229.41492	1.4
359.13293	1.8
491.15063	2.2
491.21198	3.7
491.31912	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	491.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57125	0.2
53.03939	0.3
58.30066	0.2
58.69348	0.2
63.02359	0.5
69.03443	1.0
69.36290	0.8
71.04978	0.2
73.02952	0.2
74.30706	0.2
75.04484	0.2
79.05494	0.6
79.73151	0.3
81.03411	2.0
85.02908	1.3
89.03914	4.5
95.04949	0.4
97.02860	0.5
98.22709	0.5
98.97584	0.6
99.04475	0.2
107.04954	1.7
109.02877	0.7
113.06026	0.3
117.03384	6.9
127.03915	0.5
131.07045	0.6
134.99709	0.2
135.04414	12.8
136.04704	0.2
145.02847	10.9
147.04381	0.9
149.08141	0.2
163.03900	100.0
164.04202	1.5
167.09138	0.2
181.04971	3.5
181.06464	0.2
218.28438	0.2
218.51125	0.2
231.45163	0.2
307.08084	2.5
311.11154	0.4
317.95081	0.2
325.09235	5.0
334.71115	0.2
398.10007	0.2
400.57208	0.2
419.15060	0.3
435.03482	0.2
491.20511	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	491.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57125	0.2
53.03939	0.3
58.30066	0.2
58.69348	0.2
63.02359	0.5
69.03443	1.0
69.36290	0.8
71.04978	0.2
73.02952	0.2
74.30706	0.2
75.04484	0.2
79.05494	0.6
79.73151	0.3
81.03411	2.0
85.02908	1.3
89.03914	4.5
95.04949	0.4
97.02860	0.5
98.22709	0.5
98.97584	0.6
99.04475	0.2
107.04954	1.7
109.02877	0.7
113.06026	0.3
117.03384	6.9
127.03915	0.5
131.07045	0.6
134.99709	0.2
135.04414	12.8
136.04704	0.2
145.02847	10.9
147.04381	0.9
149.08141	0.2
163.03900	100.0
164.04202	1.5
167.09138	0.2
181.04971	3.5
181.06464	0.2
218.28438	0.2
218.51125	0.2
231.45163	0.2
307.08084	2.5
311.11154	0.4
317.95081	0.2
325.09235	5.0
334.71115	0.2
398.10007	0.2
400.57208	0.2
419.15060	0.3
435.03482	0.2
491.20511	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	491.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.8
57.03422	1.2
57.98819	1.4
58.99584	26.8
59.05000	2.8
67.03947	1.1
69.03429	82.6
69.17120	1.0
69.47767	2.4
69.48158	1.8
69.90135	0.9
73.01138	3.4
74.02991	1.1
81.07061	1.7
83.04996	3.2
85.01123	1.3
85.02905	3.1
86.99055	46.8
87.04470	20.8
89.04252	2.2
95.04961	1.4
95.08581	1.6
99.02667	7.0
103.02184	2.3
105.00086	100.0
109.10131	1.5
117.03711	18.0
119.01698	1.4
121.10118	5.3
123.43694	1.2
124.37465	1.0
127.03896	1.1
137.05959	2.6
139.11172	73.2
145.03195	14.3
149.02679	10.8
151.07550	2.4
163.04240	31.6
165.09109	3.5
166.04431	1.0
169.38696	1.1
191.03729	29.5
207.13803	13.3
239.10983	3.6
240.70833	1.0
283.13718	5.3
329.14160	56.6
330.14490	2.5
425.01288	1.3
488.05954	1.0
491.24417	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	491.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78714	0.2
55.05506	0.9
55.53313	0.2
57.07064	0.4
63.93878	0.2
67.05501	4.5
69.03413	0.3
69.07072	0.6
79.05480	0.9
79.27222	0.2
80.32169	0.3
81.07049	4.0
83.04955	0.5
85.06554	0.2
85.71207	0.2
87.88395	0.3
91.05476	0.9
92.06258	0.2
93.07047	1.4
93.07548	0.2
95.08608	3.2
105.07012	0.3
107.04974	0.4
107.08580	0.9
109.06556	0.3
109.10158	5.9
117.07001	0.2
119.08568	3.0
121.10120	0.4
122.07280	2.1
123.11703	7.3
123.93684	0.3
133.10219	0.5
135.11641	0.3
137.09610	11.9
139.07532	0.4
147.08020	0.3
149.13177	0.7
155.10640	0.9
165.09108	100.0
166.09436	1.1
175.11307	0.3
175.28340	0.3
183.10146	0.8
189.12697	0.4
201.11160	1.3
205.12196	0.6
226.55888	0.3
234.15169	0.2
293.24811	0.8
321.24228	0.3
339.25296	1.4
397.66034	0.3
473.32706	0.4
491.24771	0.2
513.11481	0.3
518.28680	0.3
519.25000	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
55.01849	0.3
55.05505	2.0
57.03410	0.2
57.07063	1.0
60.44549	0.2
63.94774	0.3
65.03963	0.4
67.05501	5.1
68.96096	0.3
69.03410	0.8
69.07068	3.5
71.04984	0.6
71.08629	0.6
73.19007	0.2
73.79952	0.2
74.18027	0.2
79.05492	2.2
80.77495	0.2
81.07056	9.6
83.04972	1.8
83.08608	2.1
85.02892	1.0
85.06538	1.3
91.05489	1.9
93.07034	4.8
95.04960	1.2
95.08606	9.4
97.02923	0.5
97.06509	1.1
97.10154	0.9
99.08082	0.9
103.05465	1.5
105.04488	0.3
105.07040	1.7
107.04913	1.4
107.07925	0.4
107.08591	4.5
109.06522	0.9
109.10148	8.8
111.04449	0.4
111.08088	3.1
111.11701	0.7
115.05424	0.4
117.07012	0.8
118.04157	0.4
119.08579	5.3
120.08128	0.4
121.06507	0.8
121.10132	3.6
122.07290	2.1
123.08058	0.5
123.11694	3.9
125.09615	0.4
125.13190	0.6
127.07545	0.7
127.11192	0.5
128.44156	0.3
129.05521	0.3
131.04903	1.3
131.08525	0.4
132.02029	0.3
133.10129	1.1
134.75053	0.3
135.04448	0.5
135.08038	0.7
135.11703	1.8
137.05971	0.7
137.09607	10.8
137.13261	2.0
139.07545	0.9
139.14799	0.3
140.38089	0.3
145.06482	0.4
145.10094	0.4
146.06078	0.3
147.08052	0.4
147.11684	1.1
148.05161	0.5
149.09576	1.8
149.13243	3.4
151.07504	0.6
151.11159	0.4
151.14777	1.1
153.05431	0.5
153.09126	0.4
155.05957	0.4
157.08604	4.8
159.11653	0.6
161.13251	1.0
163.03909	1.2
163.07520	1.5
163.11131	0.4
163.14822	1.9
165.09106	100.0
166.09441	1.5
167.07027	5.5
167.14311	1.5
169.08615	0.6
173.05978	0.9
173.09596	0.3
173.13277	0.7
175.11253	0.5
175.14763	0.4
177.09146	0.5
177.12775	0.3
179.10643	0.7
181.04936	3.3
181.12079	0.3
183.10126	1.4
189.12752	0.7
189.16417	0.3
191.07016	4.3
191.10716	0.4
191.17914	0.4
193.19595	0.6
197.11684	0.5
201.11223	0.8
201.16345	0.4
203.10686	0.6
203.17960	0.6
205.12234	2.6
205.19490	1.7
207.13737	0.3
209.08168	0.3
217.19464	0.4
217.44334	0.3
229.19490	0.7
233.07912	0.3
235.20576	0.8
245.15390	0.3
247.20609	0.9
275.27237	0.4
281.28253	0.3
291.23141	0.9
293.28424	1.2
303.23257	2.2
306.55377	0.3
321.24283	3.4
325.16498	0.5
327.25375	1.5
339.25183	0.9
399.28799	1.0
437.30457	0.6
455.31525	1.2
461.18005	0.5
473.32309	1.0
491.19022	1.9
491.25381	0.6
491.32196	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.00303	2.0
55.05508	16.0
57.03431	29.8
57.07074	19.2
61.02914	6.9
65.03917	2.7
66.58379	2.3
67.05164	3.4
67.05503	57.8
68.66852	2.4
69.07072	26.5
69.50876	7.4
71.05010	3.1
71.08619	8.3
73.56378	2.1
79.05492	37.9
81.07054	62.0
83.04966	3.2
83.08615	20.9
85.06550	14.8
85.10164	5.6
86.44971	2.2
88.07610	2.9
91.05482	15.5
93.05508	3.1
93.07040	46.0
95.04952	5.3
95.08604	57.0
97.06531	6.7
97.10157	19.4
97.38490	2.3
99.08041	4.0
101.38332	2.2
103.03948	11.4
105.07018	7.4
107.08577	26.1
109.06521	4.3
109.10152	30.6
111.11715	6.2
117.05488	100.0
117.06980	4.1
119.08581	6.7
121.10139	93.0
123.11727	11.7
125.05992	2.8
125.13257	4.1
131.08568	5.2
133.10150	4.6
135.08109	2.7
135.11682	59.8
137.13243	4.4
145.10205	2.6
149.09601	2.5
149.13277	17.4
151.14830	3.3
159.11635	2.6
161.13168	2.2
163.14798	4.3
173.13297	2.2
179.02896	9.6
179.14362	2.1
207.21107	5.2
303.30466	55.5
313.27368	4.1
321.31516	33.4
327.30313	4.2
339.32507	38.5
340.32663	2.9
345.31302	4.2
437.36258	68.2
438.36432	2.9
455.37109	7.9
491.30109	9.5
491.37500	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	491.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58316	1.0
53.03939	1.8
55.05511	14.6
57.03436	21.9
57.07074	17.7
61.02926	4.1
65.03931	1.1
67.05503	46.5
69.03428	2.4
69.07063	23.6
71.04992	3.7
71.08632	10.4
75.04453	1.2
79.05489	38.0
81.03418	3.2
81.07053	55.4
83.04977	12.2
83.08182	1.8
83.08620	20.1
85.06539	58.3
85.10177	6.9
90.87763	1.2
91.05466	6.1
93.07040	37.7
95.04969	6.4
95.08601	42.2
97.06522	9.1
97.10162	13.1
99.08087	3.2
101.06045	1.3
103.03951	7.3
105.07028	3.7
107.08589	20.3
107.09265	2.0
109.10150	18.2
111.08070	3.0
111.11733	7.4
117.05489	100.0
119.08575	2.0
121.06516	1.5
121.09259	2.5
121.10139	51.3
123.11710	8.4
125.05975	21.0
125.13254	2.6
129.05547	1.3
131.08546	3.2
133.10097	1.5
135.08093	1.2
135.11690	31.9
137.13258	4.3
143.07028	4.0
145.10048	2.1
147.11678	1.1
149.09682	1.5
149.13243	10.0
151.14827	2.4
163.14819	4.4
165.12753	1.2
173.13263	1.9
177.16359	2.0
185.08008	1.1
199.09636	15.9
207.21144	2.1
215.12796	4.1
217.10754	3.6
221.22610	1.3
239.23607	2.9
303.30435	29.2
307.52219	1.1
317.32062	2.2
321.31476	36.1
327.30447	3.3
339.32541	25.4
340.32498	1.1
345.31503	5.5
363.32498	2.2
366.50620	1.1
381.33746	1.3
437.36240	46.7
438.36472	1.7
455.37198	4.1
491.30704	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	492.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01870	0.4
57.03429	2.5
58.04475	0.3
59.04999	0.4
61.02932	0.4
63.02352	0.4
66.74795	0.3
69.03427	10.8
69.44835	0.7
69.45220	0.8
70.06586	0.9
71.04961	0.3
73.02905	0.7
76.68164	0.3
79.05491	0.5
81.03419	1.9
85.02903	8.0
87.04463	5.6
89.03907	3.4
90.04236	0.6
91.05470	0.5
95.04974	0.4
97.02893	8.8
98.23470	0.7
98.97566	0.4
99.04447	0.5
103.05453	1.0
104.10719	0.6
107.04930	1.3
109.02862	0.8
115.03933	11.4
117.03393	5.4
118.03744	0.6
127.03867	1.0
131.04912	4.3
133.04961	9.7
133.06523	1.1
135.04414	11.1
136.04759	1.8
139.03941	0.5
145.02849	10.5
145.04921	1.2
146.03171	1.4
147.04387	1.2
149.05965	1.0
150.07599	1.5
161.05992	1.4
163.03897	100.0
163.07463	2.1
164.04231	14.0
175.03885	1.0
177.05437	1.3
181.04950	26.5
182.05330	0.6
187.04103	0.4
201.05432	0.4
203.07170	0.5
205.04836	5.3
213.05441	1.0
215.07071	0.5
223.05983	1.1
223.16534	0.4
229.04951	1.0
231.06609	0.6
241.04930	0.7
247.05951	0.4
259.05994	1.6
277.06885	0.7
295.08011	2.0
297.61783	0.4
307.08014	1.5
324.19196	0.4
325.09192	3.8
326.09491	1.0
342.56000	0.4
408.88000	0.3
432.17734	0.5
492.14624	1.0
492.21820	1.5
493.16620	4.5
493.22726	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	1.4
59.04992	0.6
69.03432	5.7
71.04984	0.7
81.03416	2.9
85.02900	4.5
87.04459	3.2
89.03917	3.7
91.05454	0.6
95.04978	0.9
97.02884	4.7
99.04430	0.6
103.05462	11.3
104.10726	1.6
105.04472	0.5
105.07014	2.3
107.04940	2.0
109.02848	1.4
115.03932	3.7
117.03375	5.1
118.03645	0.5
127.03884	1.1
131.04924	34.4
133.05014	3.3
133.06499	9.2
134.44011	0.4
135.04410	11.8
136.04774	1.3
137.05934	0.9
145.02847	9.8
145.04970	0.7
146.03163	0.6
147.04428	0.9
149.05984	0.5
161.06032	0.4
163.03897	100.0
163.07530	16.7
164.04242	6.8
164.07030	0.5
177.86559	0.4
181.04926	4.1
223.06044	0.4
223.86876	0.4
260.14941	1.1
277.10742	0.5
289.64560	0.4
295.08035	0.7
307.08090	3.4
325.09149	6.9
326.09482	0.5
432.17242	0.8
487.61383	0.5
492.21103	1.3
492.23480	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	1.4
59.04992	0.6
69.03432	5.7
71.04984	0.7
81.03416	2.9
85.02900	4.5
87.04459	3.2
89.03917	3.7
91.05454	0.6
95.04978	0.9
97.02884	4.7
99.04430	0.6
103.05462	11.3
104.10726	1.6
105.04472	0.5
105.07014	2.3
107.04940	2.0
109.02848	1.4
115.03932	3.7
117.03375	5.1
118.03645	0.5
127.03884	1.1
131.04924	34.4
133.05014	3.3
133.06499	9.2
134.44011	0.4
135.04410	11.8
136.04774	1.3
137.05934	0.9
145.02847	9.8
145.04970	0.7
146.03163	0.6
147.04428	0.9
149.05984	0.5
161.06032	0.4
163.03897	100.0
163.07530	16.7
164.04242	6.8
164.07030	0.5
177.86559	0.4
181.04926	4.1
223.06044	0.4
223.86876	0.4
260.14941	1.1
277.10742	0.5
289.64560	0.4
295.08035	0.7
307.08090	3.4
325.09149	6.9
326.09482	0.5
432.17242	0.8
487.61383	0.5
492.21103	1.3
492.23480	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.7
55.01859	1.1
57.03426	1.9
61.02893	0.6
69.03430	7.5
71.01405	0.6
71.04985	0.7
72.03334	0.6
73.02908	1.6
76.04875	0.5
79.05487	0.6
81.03411	4.6
85.02900	8.3
87.04475	1.8
89.03893	2.6
95.04954	0.9
97.02883	4.1
99.04444	4.0
99.65380	0.5
103.05473	2.8
105.03386	1.1
107.04945	2.1
109.02867	2.7
111.04452	0.9
115.03913	2.4
115.05463	0.6
117.03362	4.1
117.05464	1.9
120.71945	0.5
123.04404	1.1
125.02245	0.5
127.03922	2.2
129.07037	1.0
131.04916	6.2
133.02843	2.3
133.04939	2.3
135.04416	13.8
135.06519	2.4
137.06017	1.4
139.03900	5.5
141.06876	0.6
143.04915	1.2
145.02870	9.5
145.04950	1.8
147.04382	0.8
149.05972	1.0
151.03885	1.3
153.05632	0.5
153.07538	1.7
155.03397	0.6
157.06523	1.5
161.02280	0.6
161.05966	2.5
163.03899	100.0
163.07458	4.0
164.04237	2.9
165.05502	0.8
169.06493	0.6
173.05911	0.6
175.03815	0.8
175.07527	1.4
177.05443	1.9
179.03386	2.6
181.04968	13.8
182.81732	0.5
185.05966	3.3
187.03967	0.9
189.05470	2.8
191.03351	0.8
201.05502	1.4
203.07025	2.0
205.04990	2.9
213.05482	5.2
215.07007	2.2
217.04958	2.4
231.06517	10.1
235.05992	1.2
247.06041	1.2
249.07393	0.7
251.05307	0.6
259.06012	14.5
265.07007	3.4
277.07065	8.3
295.08057	6.0
307.08167	3.0
313.09064	0.6
325.09076	5.8
492.19934	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27788	0.5
53.03917	0.4
57.03425	0.6
59.80336	0.5
63.75814	0.5
69.03419	1.8
69.59006	1.3
69.59413	0.8
70.06598	0.6
77.03895	0.7
81.03419	0.9
84.08080	0.5
85.02895	1.5
86.09768	0.5
87.04457	0.7
90.05547	1.2
91.05480	1.5
93.37791	0.5
95.04964	0.9
97.02892	1.3
99.04443	0.6
103.05468	36.0
103.50114	0.4
105.04532	0.6
105.83453	0.4
106.06554	1.0
107.04929	0.6
108.08111	2.0
115.03938	0.9
119.04937	1.7
121.10149	0.6
124.07603	1.0
127.03899	1.1
131.04926	100.0
132.05281	1.8
133.04955	1.2
135.04414	0.6
137.06026	0.8
145.02884	1.2
147.04410	12.7
149.06082	0.5
150.07617	1.2
151.03922	0.6
152.07042	2.4
163.03946	3.2
163.07539	39.2
164.04306	0.8
165.05484	0.9
165.09116	0.5
172.60867	0.5
172.88962	0.4
176.03380	1.0
177.05449	1.4
178.05856	0.9
179.06973	0.6
182.94360	0.4
194.04495	1.1
194.69255	0.5
197.08078	0.5
224.09319	1.8
242.06757	0.9
309.09641	0.7
312.10791	1.0
330.06387	1.0
353.00253	0.5
360.34238	0.5
446.14160	0.6
464.14896	0.5
474.13797	0.7
492.15027	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	492.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
55.05511	5.9
57.03440	3.6
57.07065	1.6
64.69509	0.5
65.03927	0.5
66.04350	0.5
67.05161	0.8
67.05505	15.3
69.03439	0.6
69.07066	5.2
70.92390	0.5
71.00324	0.5
71.04993	0.9
71.08630	19.9
71.45721	0.6
73.26390	0.5
79.05492	14.8
79.05952	1.0
79.95370	0.4
81.03407	1.8
81.07056	17.6
83.04980	3.1
83.08619	3.9
85.06542	1.4
90.99514	0.5
91.05483	11.1
93.07044	20.4
93.46647	0.5
95.04960	4.0
95.08019	0.8
95.08607	13.3
97.06513	3.5
97.10165	1.1
98.06068	0.6
99.08093	11.7
105.04518	0.9
105.07029	7.4
107.04946	3.3
107.08588	9.9
109.06506	0.9
109.10139	4.7
111.08088	1.4
113.09659	1.3
117.07019	1.5
119.08578	5.9
121.06499	0.6
121.10143	8.6
122.10429	0.5
123.08091	0.8
123.11713	0.7
129.07053	1.0
131.08574	1.5
133.10123	5.2
135.11696	9.5
137.09634	1.0
141.09125	1.2
143.08554	1.1
145.10126	1.9
147.11688	2.2
149.13284	3.9
151.11165	6.6
153.12799	0.8
157.10121	0.8
159.11665	1.2
161.13257	5.4
163.11172	2.4
167.10669	0.9
171.11674	1.4
175.11147	0.5
175.14778	0.9
177.12759	1.2
179.14308	35.4
185.13217	0.7
186.22191	1.5
189.12814	0.7
195.13718	0.8
216.06261	1.2
216.64149	0.5
222.18546	1.7
235.16885	1.4
241.19589	0.7
259.20566	1.8
277.21625	20.6
278.21902	0.8
295.22635	1.0
320.25833	10.7
333.24081	0.5
351.25290	100.0
352.25510	4.1
418.50342	0.5
431.22046	1.8
492.27905	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.4
56.05039	0.4
57.03442	0.2
58.06635	0.5
59.07402	0.2
60.08164	6.1
61.08592	0.1
62.70408	0.1
67.05510	0.8
69.07081	0.3
69.64723	0.5
71.07371	2.7
79.05519	0.2
81.07056	0.7
83.08639	0.2
86.09705	29.5
87.10047	0.2
91.05494	0.3
93.07035	0.3
95.08622	0.5
98.98465	2.8
104.10744	2.9
109.10155	0.2
119.08604	0.2
121.10164	0.2
125.00002	20.4
143.01016	0.3
164.92021	0.1
184.07338	100.0
185.07657	0.5
217.71472	0.2
248.10744	0.2
309.24146	0.3
309.85193	0.1
474.29852	1.0
480.00198	0.1
492.30829	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21367	1.4
53.03950	1.1
55.05507	7.3
56.75301	1.1
57.03433	2.7
57.07069	3.5
62.31705	1.0
67.05508	14.3
68.05791	1.6
69.07066	7.6
69.60468	1.0
69.88492	1.7
69.88850	2.8
70.06574	1.4
71.04977	2.1
79.05483	7.5
81.07056	21.5
83.05001	1.8
83.08622	4.4
85.06544	4.7
91.05470	8.7
93.07044	23.2
95.04956	1.7
95.08605	30.8
97.06534	2.4
97.10137	2.0
98.23359	1.7
99.04464	18.6
101.06026	4.3
105.07030	19.0
107.07923	2.3
107.08596	31.1
109.06494	1.4
109.10154	39.1
111.08070	2.8
113.09644	1.4
119.08579	27.4
121.10143	27.8
123.08072	1.9
123.11697	9.2
127.11215	6.1
131.08559	5.4
133.10133	35.9
135.07993	2.7
135.11684	32.5
135.12648	2.3
137.09676	1.5
137.13268	3.2
140.99525	1.1
143.08597	1.4
145.10124	12.9
147.11681	21.6
149.13242	12.0
151.11182	3.0
153.12770	1.4
157.10133	4.1
159.11685	16.4
161.09648	2.6
161.13242	11.2
163.11172	2.7
163.14830	5.6
167.10648	1.5
171.11702	3.2
173.13210	9.7
175.14845	9.5
177.12708	2.0
177.16353	4.3
179.10719	1.8
181.12225	7.7
183.11690	3.2
185.13304	3.2
187.11147	2.3
187.14799	8.3
189.12737	2.2
189.16435	12.3
191.17957	3.0
193.12282	3.4
195.13768	5.8
197.13268	2.4
199.14874	3.8
201.16388	11.2
203.14392	1.9
203.17931	11.1
207.13751	7.2
207.17471	3.4
208.60847	1.2
209.15382	3.4
211.14867	2.2
213.16301	2.5
215.14299	2.0
215.17928	5.9
217.15799	2.0
217.19498	1.6
221.15457	3.3
223.16814	1.2
225.16438	3.3
227.17899	1.8
229.15999	1.5
229.19548	3.9
233.15445	1.5
233.18947	2.1
235.16951	9.5
241.19536	2.1
243.17500	3.6
247.16978	4.6
247.20572	3.9
249.18500	2.1
259.16916	1.2
261.18542	11.2
263.20108	4.9
275.20023	2.5
287.20038	2.2
289.21616	17.8
290.22116	1.2
301.21625	6.7
313.21683	2.0
327.23270	2.1
331.26355	7.0
335.25797	3.8
341.24725	2.0
365.64362	1.3
372.26260	2.0
373.26379	4.5
379.29922	2.4
394.47552	1.5
397.31006	100.0
398.31470	5.8
415.32043	60.2
492.37363	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	493.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23492	2.6
80.02006	0.4
81.07027	0.9
91.43755	0.4
96.03478	0.5
113.06274	0.4
118.36568	0.4
172.17380	0.4
194.11755	0.7
247.13039	1.3
269.11249	100.0
270.11624	1.7
492.40463	0.9
493.24088	23.3
494.24106	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2812
Annotation	Mucronine B
Peak:m/z	Relative Intensity
50.94810	0.2
55.05512	4.2
56.05057	0.2
56.08233	0.2
57.05813	0.5
60.08165	0.3
69.25034	1.2
72.08155	46.5
79.17583	0.2
81.07071	0.3
86.09715	0.7
89.28399	0.2
91.05489	0.5
93.07043	0.8
95.04996	0.2
100.07574	0.3
103.05460	2.0
104.10726	1.4
105.07015	0.2
120.08102	100.0
121.08435	1.5
121.62361	0.2
124.08477	0.2
125.00002	0.5
126.12807	0.4
130.06535	0.4
132.09799	0.2
171.14931	7.4
174.12747	2.4
184.07333	1.5
185.07675	0.3
199.12596	0.3
199.14420	6.1
208.57515	0.2
219.14928	17.9
220.15318	0.6
222.12761	0.7
233.15466	0.2
247.14421	18.1
248.14868	0.4
267.14926	8.6
268.15311	0.4
273.19559	1.2
282.91656	0.2
292.46689	0.2
295.14410	11.4
296.14868	0.4
297.16571	0.3
301.19107	2.7
311.18472	0.3
321.19559	0.8
326.02783	0.2
328.20047	0.3
346.16977	0.4
346.21216	7.2
347.21588	0.4
349.19034	1.9
366.21762	0.3
394.21228	6.3
395.21420	0.3
448.25787	0.7
465.28250	1.0
471.15955	0.2
493.31741	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2929
Annotation	Kermadecin F
Peak:m/z	Relative Intensity
55.05507	8.3
59.77893	5.6
63.10925	4.6
67.05501	11.6
69.07087	9.6
69.20014	35.9
79.05493	8.5
81.07056	19.5
81.86230	5.4
92.86791	4.8
93.07057	9.5
95.08603	11.7
98.22726	12.2
105.07033	6.1
107.08575	5.4
107.76424	5.9
109.10168	10.9
121.10151	7.0
155.01059	8.6
215.38023	6.1
247.14925	5.0
290.07242	6.0
339.28912	20.3
345.05838	4.9
493.22302	11.8
493.28717	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42414	0.3
55.05497	0.7
55.69667	0.3
56.14531	0.2
58.99575	0.3
67.05507	3.0
69.03413	0.4
69.07056	1.0
79.05485	0.6
81.07057	3.0
83.04961	0.5
83.08604	0.5
86.99046	0.3
91.05477	0.7
93.07031	0.6
95.08607	2.9
96.08942	0.3
97.10155	0.3
101.06010	0.4
105.00095	0.4
107.04971	0.3
107.08575	0.9
109.10155	4.7
110.10443	0.3
113.75817	0.3
119.08589	2.2
121.10143	0.5
122.07259	1.5
122.91212	0.3
123.08012	0.4
123.11709	0.9
131.08577	0.3
131.32681	0.3
135.11699	0.5
137.09618	8.2
137.13240	0.7
149.09598	0.5
149.13197	0.4
151.14827	0.9
153.09177	0.4
159.11627	0.4
163.14793	0.3
165.09111	100.0
166.09453	2.4
167.07004	0.3
179.10664	0.6
180.00192	0.3
190.09975	0.3
191.03667	0.4
205.12236	3.1
205.92017	0.3
259.24081	0.3
277.25311	0.7
305.04605	0.3
323.25766	1.7
338.13974	0.3
339.14011	0.3
429.33926	0.4
437.75586	0.3
475.34064	1.3
493.24133	0.9
512.16724	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.2
62.85978	0.3
67.05508	3.2
69.03413	0.5
69.07054	1.3
70.06594	0.5
71.04986	0.7
71.75555	0.4
77.03969	0.4
77.26302	0.3
79.05490	1.3
81.07056	4.8
83.08614	0.4
83.67513	0.4
84.04536	0.4
85.02909	1.1
85.06537	0.8
85.45750	0.4
86.09682	0.8
89.03915	0.4
91.05474	1.7
93.07032	2.1
95.04970	0.8
95.08608	5.3
97.06476	0.6
97.10139	0.4
105.07025	1.4
107.04956	0.9
107.08576	1.6
109.06515	0.8
109.10161	5.2
110.92319	0.4
111.04430	0.4
111.08126	0.5
111.11696	0.4
111.28452	0.4
119.08554	2.3
120.08106	1.3
121.10131	1.2
122.07288	0.9
123.11688	1.3
125.09647	0.4
127.03912	0.5
127.11198	0.6
135.04387	1.0
135.08067	0.6
135.11664	0.6
137.06009	1.9
137.09616	8.9
137.13231	1.0
139.11230	0.4
145.02866	0.9
146.06041	0.5
147.04399	1.3
147.11720	0.5
149.05867	0.4
149.09593	0.7
149.13315	0.4
151.14815	0.6
152.07079	0.6
153.09081	0.6
163.03914	5.9
163.14912	0.4
165.09108	100.0
166.09459	3.9
167.07005	0.6
178.13141	0.4
179.10619	1.2
181.05046	0.5
181.12268	1.0
181.15738	0.4
190.09874	0.4
197.13075	0.4
205.12215	2.4
236.08466	0.4
254.24823	1.9
259.24301	0.5
277.21863	0.6
277.25287	0.5
285.10156	0.8
295.22586	0.4
314.26950	0.4
321.17957	0.5
323.25803	1.8
332.28003	0.9
429.33636	0.6
475.34348	0.9
493.16275	0.7
493.24554	2.4
493.31207	0.8
494.16156	0.4
494.28479	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.05497	0.5
57.03433	0.7
61.02898	0.4
61.71597	0.4
61.80714	0.4
65.03941	2.8
67.05492	1.0
69.03445	2.6
69.41376	1.0
69.41761	1.1
70.03726	0.4
71.04977	0.8
73.02863	0.6
77.03909	1.2
79.05492	7.2
80.05038	0.7
81.03416	3.4
81.05782	1.9
81.07018	0.6
82.06559	0.8
83.04980	1.3
85.02905	5.7
89.03915	5.1
92.04992	7.2
93.07069	0.5
94.06584	0.6
95.04955	2.9
95.08576	0.6
96.08128	7.0
97.02879	1.8
105.04531	0.9
105.07019	0.8
106.06554	45.6
107.04939	2.6
107.06836	0.5
108.08114	14.3
109.02886	1.9
109.05243	1.3
109.83454	0.4
111.47701	0.5
117.03378	8.1
118.24526	0.5
121.02843	0.9
122.06017	1.1
123.04426	0.6
123.06824	5.5
124.07587	30.8
127.03896	2.0
134.06017	26.0
135.04416	14.1
136.07552	3.1
137.05995	0.5
137.08315	0.7
144.48996	0.4
145.02847	12.9
145.04881	2.1
147.45416	0.4
148.07504	0.5
150.05515	0.5
152.07060	76.4
153.05458	0.7
153.07414	1.1
163.03897	100.0
164.04288	1.5
164.07040	0.6
165.09116	2.2
170.08119	51.1
181.04916	0.8
183.10155	1.3
188.58473	0.5
199.09579	1.5
200.09949	0.8
222.09091	0.8
240.10133	0.9
250.08598	1.1
268.09659	3.7
279.08441	0.5
296.09131	3.5
307.08139	2.7
314.12656	2.8
314.15408	0.6
319.54266	0.5
325.08972	2.3
332.13254	8.1
362.15250	0.9
458.14172	0.8
476.15500	19.3
477.15826	0.8
494.16565	55.8
495.16711	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25713	0.6
57.34742	0.5
58.41497	0.8
69.03417	2.5
69.92191	1.8
70.06582	0.7
79.05473	0.8
81.03399	1.5
83.04951	0.6
85.02901	4.8
86.09697	0.7
89.03916	2.8
89.06022	2.5
95.04989	0.8
95.29361	0.7
95.63646	0.6
97.02904	2.2
100.44361	0.7
107.04939	2.7
109.02834	0.8
117.03356	4.5
117.07016	0.7
117.50767	0.7
119.04954	1.0
122.84360	0.7
127.03874	1.3
134.75218	0.6
135.04424	10.6
135.06476	1.2
135.08034	1.1
137.05957	3.3
139.03964	0.7
145.02829	7.4
145.04930	2.0
151.07553	0.8
152.07065	1.1
153.05470	1.8
153.09137	1.0
163.03897	100.0
164.04225	1.7
165.09171	1.3
179.07042	0.7
180.67986	0.6
181.04942	3.5
181.08588	1.1
183.10214	1.2
224.84459	0.7
231.06303	0.7
255.01704	1.0
279.08615	0.9
307.08017	1.5
315.10651	3.0
325.09149	2.7
453.07220	0.9
494.16864	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	494.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01863	2.8
57.03444	4.5
61.02928	7.3
61.73172	0.8
62.32127	0.9
65.03930	1.3
66.30291	0.7
67.05490	1.1
69.03426	15.9
69.67521	2.6
69.67863	0.9
71.04980	1.8
73.02911	3.9
79.05496	4.1
81.03415	9.1
85.02903	100.0
87.04462	2.4
89.03923	2.9
91.03939	6.5
92.05016	2.3
93.07014	1.1
95.04957	2.0
96.08132	2.6
97.02261	1.3
97.02892	26.3
98.24419	0.9
99.04440	4.2
103.49828	0.8
106.06552	20.9
107.04951	2.0
108.08109	7.5
109.02872	9.3
117.03358	3.9
121.02864	25.5
122.39291	0.8
123.06798	3.6
124.07597	16.9
127.03027	1.7
127.03915	23.9
129.27110	0.8
134.06029	12.6
135.04408	7.5
136.07564	1.5
137.05963	0.8
145.02956	7.5
145.04953	53.8
152.07072	36.1
153.05464	32.3
155.76045	0.8
163.03912	47.5
163.06029	22.6
165.05365	1.0
165.09164	2.8
170.08125	26.9
183.06512	0.9
183.10168	1.4
200.52885	0.8
268.09750	3.1
271.08206	1.0
307.08099	1.4
314.12567	0.9
332.13461	4.2
337.50229	0.9
403.88419	1.0
449.90192	1.0
476.15616	11.3
494.16528	32.1
494.22656	1.6
495.16974	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01877	0.9
55.05503	1.2
56.80210	0.5
57.03446	3.4
57.27184	0.6
59.04982	0.8
61.02916	0.9
65.03919	0.7
67.05518	0.6
69.03431	9.3
70.06593	0.9
71.43289	0.7
73.02933	5.5
75.84209	0.6
77.03928	0.9
79.05490	6.5
81.03409	2.1
84.08125	0.7
85.02901	12.1
87.04456	3.9
87.75925	0.6
89.03934	1.0
91.05484	12.6
91.06052	0.8
92.04995	1.3
93.07044	40.9
94.29293	0.6
95.04956	3.5
95.08611	1.5
96.08146	1.4
97.02895	6.2
98.52570	0.6
99.04453	1.4
103.05472	2.4
105.04523	1.9
105.07027	5.9
106.06562	7.3
107.04942	1.7
107.08578	0.7
108.08111	1.9
109.02891	1.7
109.06461	0.8
109.10113	1.5
111.04421	0.7
112.05861	0.6
115.03925	8.3
117.03368	1.3
117.07008	0.8
119.04944	1.6
119.08582	9.9
121.10148	2.8
123.06773	0.8
123.08051	0.7
124.07600	4.8
127.03915	2.7
131.04906	4.8
132.05270	2.0
133.04929	6.8
133.06467	5.4
134.06009	5.2
135.04388	2.6
135.08025	1.2
136.07552	0.7
137.05980	20.8
137.09637	3.9
138.06349	0.7
145.02841	2.3
145.04947	2.5
147.04411	1.2
147.08022	4.6
150.07616	1.0
151.07506	1.2
152.07069	13.1
153.07315	0.7
163.03906	16.0
163.07527	1.3
164.07890	1.0
165.09114	100.0
166.09450	2.0
170.08116	10.2
177.09091	0.7
181.04915	1.6
183.10155	12.9
189.09157	0.8
225.11313	0.7
241.07027	0.6
243.57370	0.6
249.11072	0.9
279.12253	1.9
325.09082	0.6
332.13260	2.0
476.15567	4.3
494.16214	9.9
494.22318	1.4
495.15512	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67390	0.3
53.12354	0.3
53.24672	0.3
55.05508	0.6
56.05022	0.6
57.03421	0.3
57.07072	0.3
58.06607	0.5
60.08162	6.5
67.05488	0.4
69.07061	0.7
70.06574	0.3
71.07378	3.0
81.07052	0.4
83.08601	0.6
86.09706	29.8
87.10019	0.4
87.35827	0.4
88.07608	0.3
96.62041	0.3
97.66184	0.3
98.98466	3.3
104.10741	6.8
111.39768	0.3
125.00005	20.1
139.53513	0.3
149.02336	1.3
184.07339	100.0
185.07666	0.6
193.04973	1.5
212.40828	0.3
237.07652	0.7
284.29495	0.7
304.29141	0.3
413.15887	0.9
476.31390	1.4
494.17389	0.7
494.32635	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24303	0.1
55.05510	0.4
56.05039	0.4
56.94269	0.1
57.03442	0.3
57.07066	0.3
58.06631	0.5
59.07387	0.2
60.08163	5.8
67.05501	0.2
69.07066	0.4
69.69275	0.2
69.69659	0.3
70.06595	0.3
71.07369	2.9
71.07739	0.2
71.08659	0.1
81.07043	0.4
83.08644	0.3
86.09703	29.0
87.10034	0.3
88.07638	0.1
93.07052	0.4
95.08625	0.3
95.32119	0.1
97.10175	0.1
98.23477	0.2
98.98461	2.9
104.10744	2.8
107.08594	0.3
121.10101	0.1
124.99999	21.0
128.38737	0.1
143.01086	0.2
146.57715	0.1
149.02367	0.3
184.07333	100.0
185.07736	0.7
193.04961	0.6
193.20303	0.1
198.17656	0.1
237.07588	0.5
258.10938	0.3
264.10999	0.1
284.29459	0.3
311.25809	0.2
312.17218	0.1
390.95743	0.1
446.47473	0.1
476.31406	1.0
494.32446	3.1
495.34204	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	494.3243
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05516	1.9
55.05722	0.3
55.09397	0.3
56.05032	0.7
57.03448	0.4
57.07075	0.9
58.06609	1.3
60.08164	16.7
67.05499	1.6
69.07075	2.1
69.67287	1.4
70.06579	0.6
71.07374	5.7
79.05511	0.9
81.07058	2.1
83.08614	1.3
86.09707	47.1
88.07634	0.7
93.07034	1.0
95.08619	1.5
98.98463	3.2
104.10741	87.4
105.11061	0.5
107.08614	0.4
107.67886	0.4
109.10165	0.4
121.10133	0.9
125.00002	28.3
135.11607	0.4
149.02361	1.4
160.15723	0.4
163.01581	0.8
163.03879	0.6
184.07339	100.0
185.07631	0.8
193.04938	1.4
195.10728	0.4
237.07568	1.4
258.10941	0.8
284.29504	1.0
311.25778	1.2
353.42059	0.4
365.82626	0.4
380.38788	0.4
403.04663	0.4
476.31332	7.8
494.32382	33.2
495.32867	1.1
507.76801	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1286
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
67.05474	0.5
68.99807	0.4
70.38473	0.3
79.05485	0.6
81.07037	0.9
87.49041	0.4
91.05427	1.2
93.07026	0.7
95.04932	1.0
95.08599	0.8
98.32671	0.3
99.29074	0.3
102.04653	0.6
103.05460	2.7
105.04516	0.4
105.07016	0.8
107.04943	0.6
107.08558	0.5
117.03404	0.4
117.06973	0.4
118.04160	1.9
119.05016	0.4
121.06479	0.9
123.04383	0.9
125.02340	0.5
130.04105	1.1
131.04926	3.7
132.05687	2.4
133.02837	0.6
135.04393	0.8
140.04662	2.3
146.03648	2.3
147.04390	0.9
148.05162	0.8
149.05882	0.9
153.01826	7.0
153.05389	0.8
155.07034	0.5
160.05180	1.1
161.02449	0.4
161.05960	1.3
162.03128	1.3
163.03886	1.0
163.07588	0.5
163.60973	0.3
165.05408	0.4
166.06238	0.9
167.07042	2.2
173.06023	0.7
176.04668	2.4
177.05508	3.0
178.06258	4.6
191.07047	4.1
192.07825	2.0
203.03386	5.3
211.71513	0.4
213.05611	0.6
229.04944	6.5
235.08641	1.4
241.04927	1.4
242.05730	10.1
253.04970	1.8
255.06770	0.5
257.04437	52.7
258.05209	17.4
258.07962	0.8
259.05917	0.6
263.08252	2.4
267.06622	0.5
269.04388	1.8
270.05234	5.2
271.06006	2.2
285.03915	6.1
286.04700	30.2
287.05466	21.5
297.03876	4.0
299.05539	1.4
300.06271	0.9
301.06952	0.8
327.05084	2.5
333.12363	1.4
341.06479	1.9
359.09293	0.5
419.07614	1.3
433.09186	0.5
445.09460	0.5
447.07086	1.6
461.08566	0.9
462.09283	1.2
465.11801	3.2
477.11792	11.7
478.12360	0.5
495.12833	100.0
495.25363	4.1
496.13113	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	495.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50137	1.1
56.96560	7.9
64.45110	1.0
71.11494	1.2
71.95287	1.0
84.96037	1.9
85.02914	2.0
98.22635	1.0
98.97579	88.6
105.75899	1.0
110.97573	3.7
112.99115	3.4
116.98625	31.2
122.97506	1.2
124.99113	14.3
128.98599	4.1
131.00159	3.1
134.99664	5.2
137.05945	2.1
138.96977	1.6
140.98587	4.1
143.00156	25.2
146.99657	1.9
152.98582	1.8
156.98128	3.0
157.01718	1.4
158.99638	20.7
161.01225	15.4
163.03896	4.7
164.04242	2.8
170.99637	16.3
173.01184	2.6
174.99117	2.6
177.00677	16.7
179.02318	1.4
182.99634	19.3
185.01202	2.5
189.00694	15.9
191.02249	2.1
194.99925	1.1
195.01784	1.9
201.00690	29.5
203.02275	1.7
207.01775	4.0
213.00696	2.0
219.01778	29.6
221.04739	1.1
231.01704	11.2
237.02698	5.9
249.02817	54.0
267.03857	16.2
285.06454	1.4
291.03851	100.0
292.04199	1.6
303.07455	6.7
309.04944	5.6
321.08469	2.8
351.05957	2.2
417.10660	7.5
435.11746	78.2
436.12039	2.9
448.64285	1.2
453.07068	1.1
495.14862	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	495.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.4
55.20889	0.3
56.95382	0.3
58.93176	0.3
61.85148	0.3
67.05496	0.8
69.03444	1.9
79.05469	1.7
81.03422	1.8
81.04465	0.4
81.07055	1.4
81.80634	0.3
83.04973	0.5
85.02909	1.5
89.03917	4.6
91.05456	0.7
93.07040	1.0
95.04942	0.9
95.08604	0.4
97.02889	1.2
103.05456	0.4
105.07052	0.5
107.04953	2.1
107.08588	0.5
109.02838	0.4
109.06544	0.4
109.10119	0.6
111.08120	0.4
115.03863	0.4
117.03393	6.5
119.08599	0.6
121.10109	0.3
123.11707	0.4
127.03896	1.1
135.04413	14.9
137.05980	0.5
145.02852	10.3
147.11595	0.4
159.08028	0.3
163.03900	100.0
164.04248	1.8
165.09105	0.5
171.10159	0.8
171.12692	0.4
179.03416	0.5
181.04962	3.3
183.13826	0.8
192.54622	0.4
195.53735	0.4
198.00035	0.4
201.14920	0.4
246.04184	0.4
305.97919	0.3
307.08160	2.6
325.09149	8.7
333.13254	0.4
495.18417	4.1
495.25238	0.9
506.51553	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.184
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
61.02927	0.3
67.05496	0.7
69.03429	0.9
69.07056	0.3
69.47128	1.1
71.04983	0.3
79.05479	0.3
80.12604	0.3
81.03387	0.4
81.07058	1.1
85.02895	0.5
85.06538	0.3
86.09680	0.3
91.05482	0.7
93.07027	0.5
95.04942	0.4
95.08607	0.6
97.02883	0.5
98.23440	0.3
103.05457	0.3
105.07046	0.3
107.08601	1.0
109.02882	0.6
109.10162	0.8
117.03400	0.3
119.08591	0.4
121.06524	0.4
121.10125	0.7
123.11715	0.3
133.02879	1.4
133.10191	0.3
135.04453	0.6
135.08096	0.8
135.11687	0.4
137.05972	1.9
145.02910	0.3
145.04980	0.5
147.11710	0.3
149.13251	0.5
151.03943	0.4
151.07545	0.7
163.03929	2.9
163.07507	0.3
165.05542	0.3
165.07120	0.3
167.07050	0.8
169.04774	0.6
175.07587	0.4
179.03362	0.6
181.04985	0.5
181.08557	0.5
185.04202	1.3
186.06569	1.1
207.13972	0.4
283.09735	0.3
311.19031	0.3
331.09998	4.3
345.13397	0.5
349.12592	5.5
349.16742	0.5
495.18372	100.0
496.18826	5.2
514.67352	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35251	0.5
52.41860	0.5
53.03941	1.7
54.51120	0.6
55.01866	1.8
55.04625	0.5
55.05490	0.6
57.03442	3.4
61.02927	4.4
64.38816	0.5
65.03945	0.6
67.05500	1.6
69.03429	14.4
69.07050	0.9
71.04986	1.1
73.02913	2.7
77.03934	0.7
78.25670	0.5
79.05486	2.8
80.04967	0.7
81.03412	6.9
81.07056	1.6
83.01336	0.7
83.05004	1.1
85.02903	29.7
87.04467	1.9
91.03954	1.8
91.05471	3.2
93.07021	1.1
94.06534	0.9
95.04961	4.1
95.08625	0.6
95.88152	0.5
96.08128	3.9
97.02888	12.2
99.04434	1.7
103.05486	1.0
105.03400	0.7
105.07024	1.8
106.06544	1.4
107.04951	0.7
107.08567	1.4
109.02898	4.1
110.06047	1.0
115.05477	1.4
117.07017	1.3
119.05004	0.5
122.09639	2.0
123.04447	1.7
124.07590	16.6
127.03903	5.9
128.06213	0.8
130.06497	4.2
131.04993	0.8
131.08574	0.8
132.08075	1.5
133.02864	1.8
133.06497	1.7
133.08899	0.6
134.09653	2.0
135.04373	0.7
135.08095	0.7
136.07581	2.1
137.06020	1.2
138.09137	1.8
144.08087	1.5
145.04948	4.1
145.08771	0.7
146.06007	1.7
146.09668	1.0
147.06790	0.8
148.11247	1.6
150.09126	6.1
151.03929	1.5
151.09918	4.1
152.10687	6.8
153.01801	0.7
156.08147	1.1
158.06012	6.1
158.09642	2.8
159.04411	1.3
159.08049	0.9
160.07610	2.9
161.08313	0.7
161.09537	0.7
162.09148	9.7
164.10739	1.5
165.05476	17.3
168.08083	1.4
170.09676	2.5
171.10397	3.7
172.07561	2.6
172.11147	0.7
174.09145	5.7
175.06288	0.8
176.07182	0.7
176.10696	22.0
181.08789	0.9
183.11752	0.9
184.07449	1.3
184.11209	0.7
185.08337	1.1
186.09116	9.0
186.12749	5.5
187.09903	3.4
188.10719	7.8
188.14316	1.1
189.07730	0.7
189.11398	0.7
191.07004	2.6
193.10078	0.9
195.10394	1.1
196.11159	0.8
198.09149	2.0
199.09920	2.6
200.10669	1.5
201.11455	1.4
202.08527	0.8
202.12268	1.3
204.08392	1.3
204.10193	11.3
210.12785	1.1
211.11122	1.4
212.07063	1.0
212.10719	2.0
214.08916	6.5
214.12256	36.7
215.09413	0.8
216.10275	2.5
216.13826	20.7
223.09937	1.5
226.08626	0.8
226.12190	0.9
227.09439	1.6
228.10271	0.9
228.13820	7.7
232.09671	26.3
232.13396	1.3
233.09953	0.9
234.11226	0.9
238.12248	7.1
239.10672	2.7
246.11209	3.7
254.11531	0.7
255.09038	0.9
256.13309	12.8
258.14868	0.9
266.11813	5.1
267.10184	2.6
284.12790	51.5
285.13351	0.7
288.15936	3.9
298.14398	5.0
302.13867	21.9
316.15427	33.1
317.15576	0.9
334.16467	100.0
335.16830	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	496.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.1
55.05511	2.2
57.03430	4.1
60.04525	2.2
61.02930	4.2
66.12309	1.3
67.05502	3.9
69.03428	16.7
69.07068	4.7
69.31506	6.9
69.73688	1.5
71.04987	2.2
73.02923	3.2
79.05506	4.9
81.03429	5.7
81.07056	18.6
85.02907	38.1
87.04480	2.5
91.03977	1.9
91.05493	3.7
93.07061	4.0
95.04974	3.7
95.08612	6.9
96.08147	3.4
97.02898	13.5
99.04428	2.0
99.08120	1.7
105.07037	3.7
106.06541	2.2
107.04955	1.9
107.08582	4.5
109.02905	3.7
109.06509	1.6
109.10129	7.1
115.03919	3.5
115.05456	1.8
119.08573	1.7
121.10155	1.6
123.11709	2.7
124.07589	13.8
127.03909	9.2
130.06557	6.5
131.08641	1.7
131.36420	1.6
133.02843	1.9
133.06474	2.3
135.11774	1.3
136.07648	1.9
137.06010	2.1
137.13300	3.4
138.09131	2.0
139.03920	3.2
145.04965	10.6
146.06007	1.6
148.11253	1.8
149.13280	1.7
150.09148	5.7
151.03975	2.7
151.09930	3.7
152.10719	6.2
153.01826	2.3
158.06017	4.4
160.07585	4.3
162.09085	8.7
163.06064	2.3
165.05469	15.2
165.06825	2.2
165.09109	9.6
166.09474	2.0
167.08623	2.8
167.14351	4.1
170.09666	1.8
172.07535	1.9
174.09177	3.3
176.10672	15.0
184.07388	3.6
185.11980	2.0
186.09222	7.1
186.12857	4.9
187.09839	3.6
188.10666	7.6
191.07025	4.1
199.09872	2.1
204.06772	1.5
204.10223	10.2
214.08693	6.1
214.12260	32.4
216.10442	2.4
216.13837	15.7
228.13863	5.8
232.09683	26.1
234.11279	1.7
238.12308	4.8
239.10764	2.3
246.11293	4.2
256.13318	12.8
261.10370	1.7
266.11722	4.1
284.12808	51.5
288.15927	2.3
298.14502	3.6
302.13870	27.2
316.15439	37.1
317.15158	1.5
334.16483	100.0
496.22708	5.4
496.29999	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	496.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	1.2
55.05479	1.2
57.03430	5.9
59.04990	3.1
67.05495	2.6
69.03426	19.4
70.76902	1.9
73.02920	5.5
79.05500	7.1
81.03416	1.6
81.07057	25.2
85.02903	14.6
87.04465	9.2
91.05492	2.1
93.07044	18.3
95.08611	19.0
96.45422	1.2
97.02895	16.7
97.06537	1.2
105.07018	5.3
107.04973	2.3
107.08592	9.3
111.04446	1.7
111.08067	1.1
115.03934	17.0
119.08584	2.1
121.10143	100.0
122.10500	1.3
123.11710	24.5
124.12005	1.3
125.05965	7.2
125.09578	1.0
127.03934	2.7
131.08574	1.9
133.04979	11.6
137.05875	1.1
137.09616	1.4
137.13261	1.3
139.11186	14.9
139.44487	1.1
145.04948	2.7
149.09595	11.8
150.07649	1.2
167.10681	72.1
168.10995	1.7
185.11736	12.6
220.35349	1.0
262.34409	1.1
263.16373	1.7
281.14142	1.2
299.14871	6.4
311.14948	2.2
329.15851	2.8
386.19345	1.2
429.34082	1.4
496.23004	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01865	2.3
55.05509	2.3
57.03433	4.8
61.02925	7.0
61.79065	0.6
67.05505	5.6
69.03068	0.9
69.03431	18.4
69.07056	1.4
69.98874	1.7
71.01320	0.7
71.04984	2.6
73.02919	2.8
79.05482	3.7
80.76392	0.6
81.02965	0.8
81.03418	7.9
81.07059	4.4
83.01347	1.2
83.04988	1.4
83.08588	0.7
85.02905	73.0
86.03233	0.9
87.04478	3.8
91.03944	3.3
91.05495	3.0
93.07039	13.9
95.01328	0.9
95.04963	2.3
95.08601	27.6
97.02269	1.3
97.02892	24.7
97.06514	1.1
97.10157	2.7
98.23311	0.8
99.04455	4.0
105.07009	1.0
107.04904	0.9
107.08588	6.4
108.41634	0.6
109.02868	6.5
109.06523	1.1
109.10150	9.4
115.03958	3.1
119.08549	3.1
121.10150	3.3
123.08107	0.7
125.09630	6.3
127.03915	17.0
127.04868	1.0
133.04948	1.0
133.10193	0.8
137.09615	9.8
139.11179	9.0
145.04955	22.8
149.09642	1.6
151.11104	0.7
152.00386	0.6
153.09123	2.2
153.10428	0.5
155.10663	100.0
156.11021	2.3
163.06007	8.1
167.10672	5.6
179.10654	1.5
185.11787	3.3
185.13075	0.6
191.10663	4.6
197.11714	3.7
209.11713	1.4
221.11613	1.1
235.13240	0.7
239.76202	0.6
245.11586	0.7
251.12910	1.0
263.12759	2.4
281.13831	11.9
289.09079	0.6
299.14896	18.4
317.15952	38.4
318.16125	1.9
325.11301	1.9
330.87048	0.8
504.09302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98540	1.2
53.03951	1.9
55.01888	1.9
55.05506	1.8
57.03180	1.5
57.03438	14.7
58.56382	1.2
59.04982	1.2
61.02913	3.4
67.05495	2.5
69.03430	32.2
69.10934	5.6
69.11336	2.6
71.01363	1.4
73.02919	11.6
74.92629	1.4
75.04484	10.2
79.05492	8.5
81.03428	3.0
81.07053	13.8
83.04996	2.3
85.02904	36.6
85.06552	1.4
87.04467	17.6
91.03948	1.4
91.05470	10.6
93.07046	69.9
95.04952	9.6
95.08610	9.4
97.02261	1.7
97.02894	33.9
97.06542	2.3
98.22778	2.8
99.04455	2.5
105.04484	1.7
105.07009	7.0
107.04945	1.3
107.08598	8.7
107.35826	1.2
109.02892	3.1
109.10120	1.5
111.08082	11.5
115.03933	33.4
119.08578	5.1
121.06569	2.3
121.10146	100.0
122.10436	2.2
123.08050	2.6
123.11724	7.7
125.05995	4.0
127.03925	7.6
130.62337	1.2
131.08553	2.6
133.04968	28.6
135.04480	1.5
135.08023	2.8
135.11644	1.3
137.02339	1.2
137.05927	1.6
139.11185	25.4
145.04955	10.8
145.10129	2.3
147.08040	1.7
149.09610	20.6
150.07619	3.7
151.03929	1.5
161.09633	2.9
163.03932	6.8
163.06017	5.4
163.11203	2.6
167.10680	83.6
168.10980	1.4
169.04872	1.9
179.81923	1.3
185.11757	8.8
191.10649	5.8
209.11729	3.4
223.05928	1.5
225.11211	1.7
241.07092	1.4
245.11647	2.6
259.08191	4.0
263.12814	2.0
277.09207	1.4
281.13837	9.7
281.16833	1.7
293.13895	1.9
295.10336	3.7
299.14774	2.5
311.14825	6.1
329.15915	4.8
347.90900	1.1
422.35199	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14222	0.5
52.09792	0.5
55.05501	2.3
57.03431	3.8
57.07066	1.5
59.04988	1.2
67.05500	4.1
69.03429	12.6
69.07066	3.6
69.32526	2.7
70.06570	0.5
71.04990	14.4
73.02911	0.6
73.06551	3.4
76.77989	0.5
79.05483	1.5
81.03409	0.7
81.07063	4.1
83.04985	0.6
83.08624	3.3
85.02898	10.6
86.09717	0.5
87.04470	8.9
89.34197	0.5
91.05479	1.1
93.07047	6.9
95.04998	0.6
95.08604	23.7
97.02890	13.0
97.06511	1.3
99.04424	0.9
105.07028	0.7
107.08599	10.2
109.02892	0.6
109.10156	6.6
115.03928	17.6
119.08585	0.6
121.10146	4.8
123.11707	2.1
127.03899	1.3
133.04965	17.6
135.11716	0.6
137.05975	0.7
145.04927	2.2
149.13260	19.3
163.03870	1.5
165.09172	0.7
167.14313	100.0
168.14673	1.5
169.04826	0.5
170.97745	0.5
178.22664	0.5
184.07336	0.7
185.15367	2.4
241.07028	0.9
244.09705	0.5
258.00916	0.6
259.08063	1.1
277.09216	0.9
295.10208	2.6
329.19629	0.9
354.81470	0.5
436.20706	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.1
56.05025	0.4
57.03436	0.2
57.07075	0.7
58.06630	0.5
59.07370	0.1
60.08162	5.3
67.05495	0.2
69.07073	0.2
70.51681	0.1
70.52014	0.1
71.07370	2.6
71.08624	0.5
79.05532	0.1
81.07051	0.2
83.08634	0.2
85.10183	0.2
86.09702	25.3
87.10047	0.2
95.08603	0.3
98.98457	2.8
98.99092	0.2
104.10739	2.7
109.10175	0.1
124.26173	0.1
124.99997	18.2
143.01039	0.1
144.97359	0.1
163.01616	0.1
179.76591	0.1
184.07333	100.0
185.07692	0.7
206.05502	0.1
214.87054	0.1
258.11017	0.2
313.27338	0.3
478.32813	1.1
496.33969	3.3
497.34708	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	496.34
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05509	0.5
56.05043	1.3
57.03419	0.3
57.07074	3.5
58.06568	1.4
59.07382	0.3
60.08164	17.9
61.35379	0.2
67.05502	1.1
69.07071	0.6
69.63530	0.8
70.06584	0.3
71.07373	6.9
71.08624	2.0
81.07048	1.0
83.08617	0.7
85.10196	1.0
86.09705	51.6
87.10003	0.3
95.08604	1.2
97.10180	0.3
98.98464	3.9
104.10741	100.0
105.11058	0.4
109.10162	0.7
125.00000	28.9
159.81169	0.2
163.01563	0.6
181.02573	0.2
184.07335	98.9
185.07724	0.9
243.63579	0.2
258.10953	1.0
286.86905	0.2
289.18042	0.4
313.27322	2.0
335.79736	0.2
339.19147	0.2
407.97150	0.2
419.26022	0.3
478.32928	8.9
479.32715	0.4
496.33969	34.4
497.34552	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50733	0.7
51.89964	0.6
53.03930	1.0
55.01876	1.7
55.05494	2.2
56.96553	2.1
57.03427	1.2
57.07043	0.6
60.95898	0.6
62.13366	0.6
65.03937	1.1
67.05495	2.9
68.99770	3.3
69.03445	4.0
69.07065	1.5
70.06590	1.3
71.01338	2.6
71.05001	1.0
77.03917	1.3
79.01861	0.9
79.05488	6.2
81.03430	4.0
81.07067	4.9
82.13773	0.6
83.01358	0.9
83.04960	2.4
83.08605	1.5
85.02905	1.9
85.06521	0.8
86.09652	0.9
89.03917	7.1
91.05487	4.8
93.07036	5.1
95.04974	6.1
95.08593	2.9
97.02888	3.4
97.10156	0.7
100.11224	0.7
103.05480	5.2
105.03387	1.2
105.04478	1.1
105.07035	2.7
107.04981	5.8
107.08591	1.5
109.02890	4.4
109.06542	1.0
109.10133	2.8
110.52765	0.6
111.00780	1.3
111.04418	3.9
111.08063	1.0
115.05460	1.7
117.03384	8.2
117.07035	3.8
119.04958	1.8
119.08572	1.4
121.02831	1.8
121.06496	6.1
121.10151	1.4
123.04408	4.9
123.08065	0.7
124.07575	0.8
125.02343	1.8
125.05968	0.8
127.03933	1.4
128.06204	1.0
129.07001	2.8
131.04929	6.2
131.08545	2.4
133.02847	1.2
133.06494	1.4
135.04414	22.2
135.08080	1.8
137.02325	2.2
137.05959	3.6
137.13232	0.7
139.03897	25.7
141.01833	1.4
141.07031	2.0
143.04904	1.9
143.08568	0.8
145.02847	14.6
145.06451	6.8
145.10098	0.9
146.06017	1.5
147.04425	3.3
147.08051	0.7
147.11684	0.8
149.02322	2.9
149.05986	6.2
149.13240	0.9
151.03896	7.3
153.01843	6.6
153.05484	0.9
153.06955	1.6
155.04849	1.5
157.01202	0.7
157.06516	1.4
159.04443	4.8
159.08070	1.9
161.06010	1.6
161.09579	0.7
163.03903	100.0
163.07556	2.2
163.48080	0.6
164.04211	1.1
164.10756	1.4
165.01840	26.7
165.05495	8.7
165.06876	0.8
167.03456	0.7
167.07063	2.0
167.14270	0.9
169.06514	2.0
171.04414	1.9
173.05960	9.7
175.03922	1.2
177.01855	1.6
177.05522	4.6
178.99757	1.1
179.03386	17.1
181.01315	1.2
181.06558	1.6
183.02896	10.9
185.05968	2.8
185.15279	1.1
187.03932	1.0
187.07521	2.3
189.01814	5.2
189.05492	1.7
191.03386	14.4
191.07031	5.4
197.00781	2.3
197.04446	1.0
197.06073	1.4
199.03931	2.0
199.07530	1.2
201.05463	6.3
203.03406	5.1
205.01328	1.1
205.04956	5.8
207.02908	3.5
209.04405	9.2
209.06073	1.7
209.08095	2.3
213.05444	3.8
215.03381	1.2
215.07068	1.7
216.13756	0.9
217.04971	2.9
218.15306	0.8
219.02957	0.7
219.06497	3.6
227.03441	2.1
227.06993	1.9
229.05011	6.8
231.02950	1.3
231.06522	12.8
231.08710	1.2
233.00812	0.7
233.04482	1.4
234.11253	1.7
237.03618	0.9
237.05495	2.1
241.04962	12.7
243.03146	0.7
243.06538	2.7
243.09143	1.9
245.04431	2.7
245.08150	1.1
247.06113	0.7
249.07724	0.9
255.02766	0.7
255.03554	0.7
255.06512	11.5
257.04471	2.8
257.08212	1.0
258.15057	0.9
259.06009	9.9
261.03973	1.5
261.10046	1.1
265.04999	6.2
267.06476	1.4
267.09064	4.5
268.09262	3.2
269.04379	1.5
269.09854	1.4
271.06033	1.0
273.03955	9.8
273.07486	1.9
277.06979	0.9
283.06027	18.1
285.07422	1.3
285.10132	5.8
286.10406	4.7
286.14310	2.5
287.05557	2.3
287.10721	2.7
289.07153	3.1
293.04358	3.3
299.05676	1.5
301.03662	1.4
301.07022	14.5
303.08655	2.4
303.14255	0.8
304.15305	1.7
305.06635	1.3
311.05481	23.9
314.67581	0.7
315.05203	1.3
315.08578	8.2
318.16876	1.4
325.07135	3.1
325.10422	0.7
327.08627	8.1
329.06552	31.4
330.06778	0.8
336.18082	4.5
339.08554	1.2
341.10236	2.8
343.08041	6.4
347.07675	5.1
361.09207	21.6
365.10156	2.0
367.11743	2.8
377.10129	6.0
391.12119	0.8
395.07217	0.7
395.11298	5.5
401.10043	1.1
409.09024	7.8
419.11340	4.3
423.10776	1.2
429.09732	3.1
437.12259	2.9
437.20471	1.0
447.10748	30.5
448.11176	1.1
451.13568	1.6
461.12177	1.8
465.11819	59.7
466.12003	2.0
479.13358	12.2
483.13147	1.0
497.14420	12.9
497.27628	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	497.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
55.05512	4.2
56.96571	2.5
57.03442	4.2
57.07085	1.4
58.64408	1.2
67.05512	6.8
69.03429	7.7
69.07071	6.6
70.06602	1.7
71.05001	3.9
71.43639	1.4
73.02918	3.5
79.05496	5.8
81.03420	2.4
81.07054	13.8
83.08620	2.8
85.02908	6.4
85.06544	8.4
86.09738	1.7
87.04477	2.4
91.05475	3.7
93.07048	12.2
95.04972	2.8
95.08608	15.3
97.02892	6.2
97.06532	11.1
97.10179	2.7
98.06831	1.4
98.97549	3.1
99.08093	2.6
105.07056	5.4
107.04937	1.4
107.08603	10.0
108.08872	1.3
109.02915	1.6
109.06544	1.8
109.10174	10.4
111.08092	1.6
113.09669	3.3
115.03947	3.5
119.08562	1.5
121.06531	2.5
121.10149	5.0
123.11707	7.8
125.09652	1.7
127.03948	2.4
127.11233	1.8
131.08557	2.0
133.04959	3.1
135.11711	4.5
137.05984	12.3
137.13254	2.8
143.00151	1.8
145.06589	1.4
147.11761	1.6
149.05962	3.1
149.09581	1.9
149.13263	10.5
150.13669	2.7
153.01859	8.0
158.99683	1.6
163.03879	7.5
163.14780	1.8
165.06952	1.9
167.07123	2.9
167.14354	12.3
168.14676	3.9
169.12207	1.6
177.05496	4.5
185.15372	18.0
186.15741	5.6
219.01862	2.3
222.64873	1.4
225.18515	1.7
243.19530	3.1
244.33723	1.5
245.22726	2.8
263.14661	1.3
263.23761	3.2
271.09595	2.1
281.24829	7.4
299.25653	4.7
311.09378	1.6
317.27139	2.1
339.59296	1.9
372.69083	1.4
383.10178	1.6
421.23523	1.3
432.27661	1.5
433.16367	3.5
497.14056	100.0
497.19995	25.1
497.26233	2.9
498.14313	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	497.142
Annotation	CHEBI:67640
Peak:m/z	Relative Intensity
55.01854	1.4
55.05508	3.5
56.72617	1.2
56.96565	2.0
57.03437	5.0
57.07067	2.1
59.15154	1.1
67.05505	6.0
69.03430	7.0
69.07085	6.4
69.95940	2.7
70.06566	1.6
70.94454	1.2
71.04996	5.0
73.02907	3.4
77.28315	1.1
79.05486	5.6
81.03425	3.0
81.07047	15.2
83.04984	1.8
83.08619	4.3
85.02901	7.1
85.06548	4.4
86.35052	1.2
87.04462	3.4
91.05470	3.3
93.07059	9.0
95.04971	1.9
95.08594	14.6
97.02914	6.0
97.06526	13.3
98.06863	1.3
98.97591	1.7
99.08064	2.4
101.06042	1.6
105.07053	2.6
107.04930	1.5
107.08587	8.1
109.06508	1.8
109.10147	10.5
111.04416	1.4
111.08082	1.7
113.09617	2.1
115.03926	4.4
119.08565	3.2
119.89947	1.2
121.10126	7.2
123.04425	1.3
123.11698	6.6
125.09613	1.4
127.03882	1.5
127.11175	1.6
129.09108	2.4
133.04956	2.6
133.10141	1.3
135.04388	2.0
135.11690	3.9
137.05965	9.1
143.00192	2.3
145.04987	1.8
145.09981	1.3
147.04340	1.4
147.11681	2.1
149.05954	2.6
149.09468	1.4
149.13240	11.9
150.13603	2.6
151.03893	2.9
151.14905	1.3
153.01802	7.0
153.12737	2.6
158.99632	1.8
163.03894	4.8
167.07042	1.8
167.14325	10.9
168.14667	3.6
174.98251	1.2
177.16371	1.7
183.10103	1.1
185.15376	20.7
186.15707	5.6
189.16414	1.6
211.07497	1.6
219.01765	2.2
243.19487	1.4
245.22557	3.8
263.23688	4.1
271.09677	1.9
281.24686	8.2
286.14737	1.3
299.25851	4.4
317.26791	2.0
433.16544	2.0
497.13992	100.0
497.19977	21.5
497.26114	2.4
498.14465	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50733	0.7
51.89964	0.6
53.03930	1.0
55.01876	1.7
55.05494	2.2
56.96553	2.1
57.03427	1.2
57.07043	0.6
60.95898	0.6
62.13366	0.6
65.03937	1.1
67.05495	2.9
68.99770	3.3
69.03445	4.0
69.07065	1.5
70.06590	1.3
71.01338	2.6
71.05001	1.0
77.03917	1.3
79.01861	0.9
79.05488	6.2
81.03430	4.0
81.07067	4.9
82.13773	0.6
83.01358	0.9
83.04960	2.4
83.08605	1.5
85.02905	1.9
85.06521	0.8
86.09652	0.9
89.03917	7.1
91.05487	4.8
93.07036	5.1
95.04974	6.1
95.08593	2.9
97.02888	3.4
97.10156	0.7
100.11224	0.7
103.05480	5.2
105.03387	1.2
105.04478	1.1
105.07035	2.7
107.04981	5.8
107.08591	1.5
109.02890	4.4
109.06542	1.0
109.10133	2.8
110.52765	0.6
111.00780	1.3
111.04418	3.9
111.08063	1.0
115.05460	1.7
117.03384	8.2
117.07035	3.8
119.04958	1.8
119.08572	1.4
121.02831	1.8
121.06496	6.1
121.10151	1.4
123.04408	4.9
123.08065	0.7
124.07575	0.8
125.02343	1.8
125.05968	0.8
127.03933	1.4
128.06204	1.0
129.07001	2.8
131.04929	6.2
131.08545	2.4
133.02847	1.2
133.06494	1.4
135.04414	22.2
135.08080	1.8
137.02325	2.2
137.05959	3.6
137.13232	0.7
139.03897	25.7
141.01833	1.4
141.07031	2.0
143.04904	1.9
143.08568	0.8
145.02847	14.6
145.06451	6.8
145.10098	0.9
146.06017	1.5
147.04425	3.3
147.08051	0.7
147.11684	0.8
149.02322	2.9
149.05986	6.2
149.13240	0.9
151.03896	7.3
153.01843	6.6
153.05484	0.9
153.06955	1.6
155.04849	1.5
157.01202	0.7
157.06516	1.4
159.04443	4.8
159.08070	1.9
161.06010	1.6
161.09579	0.7
163.03903	100.0
163.07556	2.2
163.48080	0.6
164.04211	1.1
164.10756	1.4
165.01840	26.7
165.05495	8.7
165.06876	0.8
167.03456	0.7
167.07063	2.0
167.14270	0.9
169.06514	2.0
171.04414	1.9
173.05960	9.7
175.03922	1.2
177.01855	1.6
177.05522	4.6
178.99757	1.1
179.03386	17.1
181.01315	1.2
181.06558	1.6
183.02896	10.9
185.05968	2.8
185.15279	1.1
187.03932	1.0
187.07521	2.3
189.01814	5.2
189.05492	1.7
191.03386	14.4
191.07031	5.4
197.00781	2.3
197.04446	1.0
197.06073	1.4
199.03931	2.0
199.07530	1.2
201.05463	6.3
203.03406	5.1
205.01328	1.1
205.04956	5.8
207.02908	3.5
209.04405	9.2
209.06073	1.7
209.08095	2.3
213.05444	3.8
215.03381	1.2
215.07068	1.7
216.13756	0.9
217.04971	2.9
218.15306	0.8
219.02957	0.7
219.06497	3.6
227.03441	2.1
227.06993	1.9
229.05011	6.8
231.02950	1.3
231.06522	12.8
231.08710	1.2
233.00812	0.7
233.04482	1.4
234.11253	1.7
237.03618	0.9
237.05495	2.1
241.04962	12.7
243.03146	0.7
243.06538	2.7
243.09143	1.9
245.04431	2.7
245.08150	1.1
247.06113	0.7
249.07724	0.9
255.02766	0.7
255.03554	0.7
255.06512	11.5
257.04471	2.8
257.08212	1.0
258.15057	0.9
259.06009	9.9
261.03973	1.5
261.10046	1.1
265.04999	6.2
267.06476	1.4
267.09064	4.5
268.09262	3.2
269.04379	1.5
269.09854	1.4
271.06033	1.0
273.03955	9.8
273.07486	1.9
277.06979	0.9
283.06027	18.1
285.07422	1.3
285.10132	5.8
286.10406	4.7
286.14310	2.5
287.05557	2.3
287.10721	2.7
289.07153	3.1
293.04358	3.3
299.05676	1.5
301.03662	1.4
301.07022	14.5
303.08655	2.4
303.14255	0.8
304.15305	1.7
305.06635	1.3
311.05481	23.9
314.67581	0.7
315.05203	1.3
315.08578	8.2
318.16876	1.4
325.07135	3.1
325.10422	0.7
327.08627	8.1
329.06552	31.4
330.06778	0.8
336.18082	4.5
339.08554	1.2
341.10236	2.8
343.08041	6.4
347.07675	5.1
361.09207	21.6
365.10156	2.0
367.11743	2.8
377.10129	6.0
391.12119	0.8
395.07217	0.7
395.11298	5.5
401.10043	1.1
409.09024	7.8
419.11340	4.3
423.10776	1.2
429.09732	3.1
437.12259	2.9
437.20471	1.0
447.10748	30.5
448.11176	1.1
451.13568	1.6
461.12177	1.8
465.11819	59.7
466.12003	2.0
479.13358	12.2
483.13147	1.0
497.14420	12.9
497.27628	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	497.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54188	0.9
56.96291	1.4
56.96564	13.7
69.03399	1.2
71.43157	1.1
84.96040	3.7
85.02893	1.8
93.52840	0.9
95.04965	1.1
98.97583	73.6
110.97567	10.0
112.99156	3.0
116.98627	27.9
124.99180	1.4
127.00690	0.9
127.03968	1.1
128.98621	9.0
131.00189	2.6
134.99634	5.2
137.06000	1.8
138.05498	1.8
140.98611	1.5
143.00209	3.9
144.98111	2.0
145.01714	3.4
146.99628	3.0
147.03278	5.8
149.01186	1.6
152.98581	2.3
155.06929	1.0
156.06470	1.3
158.99654	39.0
159.03256	1.2
161.01242	3.3
162.99149	1.6
163.02756	1.7
163.03983	1.5
165.04356	4.0
167.07054	1.1
168.76118	0.9
170.99631	7.0
171.03294	2.2
171.06079	1.0
175.02821	1.9
177.00699	25.8
185.01213	1.5
189.00720	3.9
189.04317	10.3
195.01675	2.0
201.00725	3.0
203.05843	1.3
207.05429	3.6
217.03918	1.2
219.01772	27.9
231.05338	4.6
237.02823	37.4
237.05293	1.8
243.05367	1.2
249.06448	3.0
255.03909	2.3
274.97623	1.6
287.23300	1.0
291.07501	39.8
298.10797	1.0
303.05075	0.9
305.09097	2.5
309.08560	100.0
310.08807	1.1
323.10126	2.9
330.28284	0.9
332.10263	1.4
335.12363	1.1
338.96661	3.2
351.09634	1.5
363.09558	2.9
365.11005	1.2
377.11118	7.8
379.12708	1.5
419.12085	4.5
437.13312	75.2
438.13422	2.0
455.14328	13.9
497.12308	31.3
498.10336	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68087	1.2
53.03949	1.4
55.01868	1.3
57.03431	3.1
61.02921	4.6
64.67429	1.3
67.05510	2.7
69.03425	22.7
69.16109	7.8
69.16518	2.8
71.01349	1.5
71.04985	3.1
73.02925	1.8
77.03938	1.6
79.05495	4.4
81.03433	6.8
81.07044	5.6
85.02908	34.6
87.04454	3.1
91.05500	3.0
93.07050	4.9
95.04971	4.5
95.08619	3.5
97.02882	14.9
99.04472	3.6
103.05485	3.3
105.03389	1.7
105.07056	3.8
107.04972	3.3
107.08614	3.3
109.02884	2.8
109.10144	1.9
111.08106	2.7
113.02317	1.4
113.09647	1.6
114.88116	1.3
115.03896	2.2
115.05454	1.8
117.07008	4.4
121.02858	2.3
121.06517	5.3
121.10165	3.7
123.11797	1.8
127.03905	14.0
129.06955	1.8
131.04955	6.3
133.04970	1.5
133.06436	1.7
137.05960	3.2
139.03897	16.3
145.04930	2.5
145.06448	7.5
149.02344	20.7
149.05933	7.1
151.03918	6.1
151.11182	2.9
153.05443	27.4
153.12799	1.7
155.03441	1.3
155.04936	3.2
155.10617	1.9
159.04439	6.5
161.05957	2.2
163.03949	5.2
163.07536	2.8
165.05475	42.2
165.06799	2.9
167.03470	4.4
167.10651	9.5
167.74550	1.4
168.11014	2.7
169.12274	4.8
173.06013	10.2
175.07588	5.3
177.05428	2.3
179.03322	1.6
183.08043	2.3
185.11743	7.2
186.12090	2.4
187.07562	2.4
189.05475	3.2
191.07018	36.1
201.05499	13.1
201.09225	1.9
203.07080	3.5
203.12804	2.6
205.08607	2.9
211.07578	2.7
215.07089	5.9
217.05125	1.5
219.06525	19.2
227.03616	1.8
229.08585	4.5
239.07106	5.9
257.08142	6.3
258.21887	1.8
265.07211	1.6
267.06561	2.6
275.09207	6.3
285.07480	13.2
289.10822	3.3
303.08618	65.6
304.09045	2.1
317.10208	7.8
321.09702	3.0
335.11218	29.7
397.69391	1.5
497.16489	100.0
498.16821	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1655
Annotation	Leucocyanidin 4',7-dimethylether 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.68087	1.2
53.03949	1.4
55.01868	1.3
57.03431	3.1
61.02921	4.6
64.67429	1.3
67.05510	2.7
69.03425	22.7
69.16109	7.8
69.16518	2.8
71.01349	1.5
71.04985	3.1
73.02925	1.8
77.03938	1.6
79.05495	4.4
81.03433	6.8
81.07044	5.6
85.02908	34.6
87.04454	3.1
91.05500	3.0
93.07050	4.9
95.04971	4.5
95.08619	3.5
97.02882	14.9
99.04472	3.6
103.05485	3.3
105.03389	1.7
105.07056	3.8
107.04972	3.3
107.08614	3.3
109.02884	2.8
109.10144	1.9
111.08106	2.7
113.02317	1.4
113.09647	1.6
114.88116	1.3
115.03896	2.2
115.05454	1.8
117.07008	4.4
121.02858	2.3
121.06517	5.3
121.10165	3.7
123.11797	1.8
127.03905	14.0
129.06955	1.8
131.04955	6.3
133.04970	1.5
133.06436	1.7
137.05960	3.2
139.03897	16.3
145.04930	2.5
145.06448	7.5
149.02344	20.7
149.05933	7.1
151.03918	6.1
151.11182	2.9
153.05443	27.4
153.12799	1.7
155.03441	1.3
155.04936	3.2
155.10617	1.9
159.04439	6.5
161.05957	2.2
163.03949	5.2
163.07536	2.8
165.05475	42.2
165.06799	2.9
167.03470	4.4
167.10651	9.5
167.74550	1.4
168.11014	2.7
169.12274	4.8
173.06013	10.2
175.07588	5.3
177.05428	2.3
179.03322	1.6
183.08043	2.3
185.11743	7.2
186.12090	2.4
187.07562	2.4
189.05475	3.2
191.07018	36.1
201.05499	13.1
201.09225	1.9
203.07080	3.5
203.12804	2.6
205.08607	2.9
211.07578	2.7
215.07089	5.9
217.05125	1.5
219.06525	19.2
227.03616	1.8
229.08585	4.5
239.07106	5.9
257.08142	6.3
258.21887	1.8
265.07211	1.6
267.06561	2.6
275.09207	6.3
285.07480	13.2
289.10822	3.3
303.08618	65.6
304.09045	2.1
317.10208	7.8
321.09702	3.0
335.11218	29.7
397.69391	1.5
497.16489	100.0
498.16821	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.1
55.05514	2.4
57.03434	1.4
57.07090	0.9
59.32662	0.7
61.02915	1.5
65.03951	1.3
67.05499	4.5
69.03439	4.8
69.07071	44.1
71.04991	1.3
71.43851	0.9
79.05492	2.4
80.70056	0.6
81.03415	2.7
81.07060	10.2
83.04964	0.9
85.02915	8.8
85.06551	5.8
87.04491	1.1
91.05491	1.7
92.04940	0.7
93.07036	2.6
94.06575	2.4
95.04968	2.0
95.08620	4.2
97.02905	4.3
97.06541	8.6
98.09682	0.7
99.08109	1.7
105.07082	0.9
107.04945	0.8
107.08591	1.9
109.02885	4.5
109.06512	1.2
109.10157	3.2
111.04469	1.5
115.03924	1.5
117.03607	0.6
121.02908	0.7
121.05221	0.9
121.06497	2.2
121.10134	1.9
122.06037	5.8
124.07590	1.4
125.09660	0.9
126.09212	0.8
127.03896	1.6
131.04912	1.0
133.04947	1.0
134.06079	0.9
135.04405	1.2
135.11693	1.1
137.05994	4.5
137.13274	1.3
138.04529	0.6
138.05499	3.1
139.03932	6.3
139.11206	0.8
140.07053	4.8
145.04980	0.8
145.08916	1.7
145.10063	1.0
146.09659	1.9
147.04396	1.1
148.03978	1.5
149.06015	1.0
149.13327	1.2
150.05510	44.9
151.05838	1.0
153.01849	0.8
157.12286	1.0
159.04434	0.9
160.07466	0.9
161.08371	3.1
162.09155	1.5
163.03902	4.4
164.07164	0.7
165.01753	0.7
165.04179	1.4
165.05505	1.4
166.05025	12.9
167.07066	1.7
172.11232	2.5
173.08319	1.5
173.09680	0.9
174.09177	1.0
174.12816	4.0
175.07671	0.8
176.03430	2.7
177.16391	0.8
178.04964	1.3
179.03337	1.1
182.15463	0.9
185.08342	0.8
185.15462	0.8
186.07587	1.2
186.09151	0.9
186.15767	1.1
189.16408	1.2
190.12285	4.5
191.03453	5.4
192.02959	1.0
194.04489	1.7
198.09250	0.8
198.14886	2.1
200.07071	1.5
200.10713	4.1
202.12323	6.0
209.04459	2.5
210.14876	1.9
216.10225	2.7
218.08237	1.2
218.11772	15.8
226.08617	0.9
226.14436	1.3
228.10194	9.6
229.13374	1.4
234.11298	1.3
242.10593	1.5
244.09729	1.6
245.22549	0.9
246.11295	11.5
256.09698	1.3
261.08762	0.8
262.89096	0.8
271.10645	2.8
272.09198	2.1
273.12369	1.5
274.10614	1.4
281.24728	2.5
283.06061	0.8
287.10297	5.4
289.11780	5.6
290.10284	1.3
299.10187	4.3
299.25812	2.4
317.11337	23.4
317.15039	1.3
317.26831	1.1
327.08688	3.9
328.08313	0.9
329.06458	1.1
335.12387	100.0
336.12701	2.3
361.09259	0.9
382.23413	1.0
461.15326	0.9
465.11887	0.9
479.16769	2.0
497.17935	2.4
497.32956	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.2
55.01847	0.3
55.05511	2.7
67.05467	0.5
68.99746	0.3
69.03390	0.3
69.07040	0.4
69.72713	0.8
73.08461	0.2
79.05487	0.4
81.07010	0.9
83.08567	0.5
85.02871	0.4
91.05441	0.4
93.07000	0.3
95.08602	0.2
97.10131	0.4
108.84655	0.2
109.10058	0.2
119.08528	0.2
121.10147	0.2
125.76539	0.2
139.03874	0.3
141.06856	0.2
153.01822	3.6
173.02275	0.2
173.05949	0.3
177.16191	0.2
187.07550	0.4
197.06032	0.3
204.28789	0.2
209.06006	0.2
213.05354	0.3
225.05421	0.3
233.04298	0.3
237.05325	0.3
242.49922	0.2
243.06450	0.3
253.04974	0.7
255.06618	0.3
265.04791	0.5
267.06552	1.1
269.04297	0.2
277.05048	0.4
281.04340	0.8
283.06030	0.3
291.06677	0.2
294.05304	0.5
295.05984	2.5
297.03983	0.7
298.04739	1.3
299.05429	0.6
303.06329	0.3
310.04718	0.8
311.05490	12.3
312.05725	0.3
319.06012	0.3
323.05478	100.0
324.05905	3.7
325.07043	0.6
335.05438	0.6
337.07028	3.1
348.06094	0.2
349.07040	3.5
350.07718	0.2
351.08630	0.6
353.06653	0.2
361.06961	0.5
363.08636	0.3
407.14868	7.3
417.13437	1.1
435.14377	62.6
436.14737	1.9
451.17612	0.5
453.15430	12.6
454.15720	0.4
479.16940	4.4
497.18079	11.3
497.25388	0.4
498.18347	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.05513	1.7
57.03424	1.8
61.02918	1.5
64.44130	0.7
65.03958	1.0
67.05481	2.2
69.03423	6.5
69.07063	1.3
69.35760	3.4
70.72530	0.7
78.11340	0.8
79.05505	4.8
81.03417	3.2
81.07051	3.1
83.01343	0.9
83.08620	1.7
84.08110	0.8
85.02895	8.9
85.06541	1.1
85.34392	0.7
87.04466	1.3
91.05468	3.6
93.07034	2.7
95.04959	2.6
95.08606	2.5
96.08115	1.8
97.02883	6.7
97.06522	1.7
103.05438	1.8
105.07011	4.5
107.04929	2.9
107.08597	1.5
108.08121	2.1
109.02867	4.8
109.06561	0.8
109.10143	1.0
110.06081	1.7
110.09722	0.7
115.03963	1.1
117.05782	0.7
117.07016	2.8
119.08576	2.3
120.08087	2.2
121.06505	1.4
122.09638	1.5
123.04439	1.0
124.06786	1.1
124.07600	9.7
125.08418	0.7
126.09171	2.0
127.03889	2.2
130.06497	0.7
131.04915	1.5
132.04449	0.8
132.08080	1.2
133.06480	4.5
133.08919	0.9
133.10124	1.0
134.09648	1.1
135.04416	17.0
136.04732	0.7
136.11208	5.9
137.06006	0.8
138.09138	7.0
139.03870	1.5
143.08531	1.3
145.02779	0.9
145.10115	1.0
146.05991	6.4
146.09636	1.2
147.04439	1.7
148.11182	0.8
149.05951	1.4
150.09085	1.8
151.09972	1.6
152.10631	0.8
160.07570	2.3
160.11194	2.1
161.05972	3.1
161.09596	2.3
162.09167	1.9
162.12779	1.2
163.03906	5.0
164.04321	1.2
164.10704	45.8
165.01900	0.9
165.05542	1.6
167.07025	7.2
169.15904	2.4
170.09671	0.9
174.05495	4.3
174.09163	4.5
175.09984	0.9
176.10716	3.0
178.12302	3.3
187.09753	1.0
187.16917	1.8
188.10751	5.9
188.14349	3.5
190.12273	7.8
190.15939	1.3
197.11954	1.2
202.12225	1.0
202.15938	1.7
206.11745	4.3
211.09930	1.2
212.10664	0.9
212.14462	1.2
214.08621	1.0
214.12241	1.1
216.10265	9.0
216.13809	23.3
217.10835	1.5
218.11815	6.9
218.15381	12.6
230.11784	1.5
230.15356	5.3
234.11234	42.3
235.11606	1.4
240.10129	0.9
240.13841	7.9
243.13867	0.9
243.77705	0.8
244.09718	0.9
245.16495	1.3
248.12830	3.4
256.13312	3.3
258.14886	16.8
258.17453	1.4
266.13846	1.7
268.13312	8.8
276.15952	0.8
279.14926	1.2
286.14362	51.5
287.15088	0.9
290.17355	1.0
300.08627	2.2
300.15936	5.8
304.15399	45.4
312.05588	1.0
318.16974	37.2
319.17285	1.1
336.18036	100.0
337.18365	2.2
416.35873	0.8
433.78363	0.8
466.12112	1.7
498.26089	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	498.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.05505	1.7
57.03423	1.9
61.02922	1.6
61.50837	0.7
67.05497	1.7
68.75993	0.6
69.03429	6.5
69.07063	2.0
73.02930	1.6
79.05494	4.0
81.03415	3.1
81.07046	3.6
83.08624	1.1
85.02903	10.4
87.04447	1.2
91.05486	2.8
93.07049	2.3
95.04964	1.6
95.08601	1.7
96.08128	1.1
97.02897	3.5
97.06535	1.5
99.04437	0.6
105.07020	3.0
107.04945	2.7
107.08577	1.4
108.08076	1.0
109.02883	3.1
110.06055	1.0
117.07030	1.7
119.08607	0.9
121.06549	1.4
122.09687	0.9
124.07597	6.7
125.08392	1.5
126.09147	1.7
126.59658	0.7
127.03905	2.7
129.07025	0.9
129.12126	0.7
131.08620	0.7
132.08025	1.1
133.06456	3.8
134.09589	1.0
135.04410	14.6
135.07990	0.9
136.07573	1.3
136.11223	6.3
138.09142	7.7
143.08589	1.3
145.10103	1.0
148.11191	0.7
150.09160	2.0
151.09947	1.1
152.10674	1.5
160.07565	2.2
160.11215	1.9
161.05930	3.9
161.09630	2.1
162.09152	2.8
162.12737	1.2
164.10706	51.8
165.05443	1.7
165.10895	1.0
167.07048	6.1
174.09154	3.3
175.09898	0.8
176.10695	3.9
178.12279	4.2
187.07573	1.0
188.10683	7.3
188.14325	1.9
189.11491	1.2
190.12247	7.4
200.10686	0.7
202.12305	1.0
202.15901	0.7
205.59390	0.7
206.11810	4.4
210.09023	0.7
212.10683	0.9
212.14365	1.1
214.08551	0.9
216.10242	8.9
216.13806	15.1
217.08672	1.5
217.10942	1.6
217.17751	0.8
218.11797	7.9
218.15331	8.1
224.10699	0.8
228.13803	1.0
230.11798	1.1
230.15340	3.4
234.11240	48.9
235.11739	1.6
240.13809	4.8
245.10475	1.3
248.12828	5.8
256.13339	2.3
258.14890	11.4
266.13858	1.6
268.13257	5.6
276.16006	1.2
286.14359	42.8
287.14777	1.6
300.15997	1.5
304.15414	53.9
305.15845	1.4
318.16977	23.3
336.18033	100.0
337.18396	3.3
465.75995	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.1
55.01863	4.7
55.05515	18.8
57.03437	14.2
59.04992	7.5
60.66898	1.8
61.02942	2.7
65.03944	2.3
67.05506	23.2
69.03431	50.0
69.07071	5.2
69.39391	6.1
69.39799	3.8
71.05001	13.4
73.02937	2.8
77.03982	2.2
79.05486	10.2
81.03427	5.9
81.07057	78.9
83.04985	31.3
83.05452	3.5
85.02905	43.3
87.04468	31.2
91.05489	22.1
93.07047	100.0
94.07373	1.8
95.04975	34.3
95.08613	15.1
97.02894	47.2
97.06540	2.6
98.09706	1.9
99.04474	2.5
101.06002	4.4
105.04565	3.5
105.07033	31.0
107.08590	40.5
109.02910	3.0
109.06509	11.9
109.10162	13.1
111.04443	3.7
111.08110	2.3
113.06045	2.3
115.03937	49.3
119.08608	3.7
121.06484	2.6
121.10157	9.4
123.08055	9.1
123.11710	48.6
124.03967	2.1
125.05971	3.2
127.03943	7.4
131.08592	3.2
133.04971	44.0
133.10132	60.3
135.11684	4.7
145.04912	8.6
145.10068	3.2
147.11752	2.4
149.09669	3.2
150.07628	2.3
151.11183	55.7
161.04434	5.9
161.05804	1.7
163.03833	2.2
163.06032	4.5
167.07045	5.7
169.08655	2.9
169.12228	8.2
175.11192	5.2
181.92018	1.7
229.12270	2.4
236.58385	1.8
241.07042	2.3
257.64523	1.6
259.08136	2.4
265.14404	3.6
277.08789	2.1
283.15417	5.7
295.10321	5.6
310.36960	1.6
329.61487	2.0
377.33292	1.7
396.80676	1.6
498.12750	3.2
498.20145	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
55.05512	2.7
57.03433	9.1
59.04995	2.3
61.02916	3.0
62.06754	1.1
67.05497	4.0
69.03427	28.8
69.07063	2.7
69.34569	3.5
69.34974	2.7
71.04984	3.7
73.02922	8.0
77.15253	1.2
79.05495	7.7
81.07058	11.9
83.04961	2.1
85.02905	27.1
85.06544	1.9
87.04466	17.5
91.03953	1.3
91.05470	5.1
93.07049	10.8
95.04965	1.6
95.08604	17.6
97.02891	23.4
98.22707	2.2
99.04448	2.1
105.07027	7.5
107.04980	1.9
107.08591	34.7
109.02895	1.5
109.06535	5.5
109.10158	15.1
111.08066	1.9
111.77934	1.1
115.03118	1.8
115.03931	28.2
121.02885	8.6
121.10151	22.1
123.11702	9.0
124.07565	1.1
127.03912	4.3
133.04968	33.1
133.10129	25.0
135.11676	2.5
137.05975	5.1
139.07544	1.7
139.11218	7.9
145.02824	1.1
145.04968	6.0
147.04373	1.3
148.62819	1.0
149.05951	1.4
151.11183	27.2
153.12758	10.1
157.12234	6.9
163.03873	5.9
163.05994	1.5
169.12239	100.0
170.12604	1.4
187.13289	22.5
259.08109	3.6
283.08167	1.3
295.10150	3.0
301.16479	3.0
394.48495	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50290	0.8
52.52953	0.9
53.03942	1.0
55.05511	5.3
57.03434	7.0
57.07067	2.6
59.04993	2.8
60.04514	1.4
61.90076	0.8
67.05504	9.7
69.03425	18.4
69.07074	3.4
69.72051	3.7
71.04990	4.1
73.02929	1.9
79.05494	3.2
81.07056	59.5
83.04976	1.1
83.08617	2.8
85.02900	12.6
85.06533	4.2
87.04456	11.5
89.06036	2.2
91.05505	1.5
93.07018	8.5
95.04975	4.6
95.08603	12.8
97.02890	15.7
97.10164	7.8
99.04454	2.0
99.08117	1.0
105.06997	1.3
107.08592	3.2
109.06525	2.8
109.10165	3.4
111.08070	3.2
113.05984	1.0
115.03917	14.2
123.11704	65.7
124.12003	0.8
127.03942	1.6
133.04961	12.4
133.10132	4.5
135.04428	2.2
137.09595	0.8
141.12738	3.2
143.37607	0.8
145.04910	1.2
150.07611	1.7
151.11162	16.8
163.03906	8.4
165.09106	1.1
167.06870	0.8
169.12236	97.7
170.12633	2.1
187.13286	100.0
215.41168	0.9
229.18121	0.8
235.99062	0.8
270.13318	0.8
283.15469	1.1
301.16281	1.6
488.46875	1.0
498.18042	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.5
55.01891	2.2
55.05515	11.0
57.03432	9.5
57.07080	3.4
59.05001	5.3
67.05502	20.5
69.03429	27.3
69.07069	16.2
71.04998	10.5
73.02907	7.1
75.04465	1.6
79.05500	10.9
81.03428	5.0
81.07053	73.5
83.08645	2.7
85.02903	25.6
85.06550	5.9
87.04464	16.4
88.28030	1.5
89.03912	4.0
89.06039	1.8
91.05486	9.5
93.07039	43.0
95.04974	8.5
95.08602	57.9
97.02883	30.5
97.06539	4.1
97.10158	7.9
99.04452	3.4
99.08085	2.6
105.07030	5.2
107.04980	3.3
107.08585	17.7
108.08138	1.6
109.02840	3.2
109.06526	4.3
109.10162	18.5
110.01397	1.4
111.08073	11.0
113.06040	2.2
113.28215	1.4
115.03924	22.4
117.03405	4.6
119.08633	1.6
121.10139	3.8
123.11704	80.7
127.03867	7.7
127.11193	1.9
129.09137	6.8
131.08560	1.8
133.04959	25.1
133.10139	7.7
135.04398	10.0
135.10670	1.4
135.11682	21.6
137.05981	1.9
137.13242	1.9
139.11171	4.7
141.12764	2.8
145.02856	4.9
145.04913	7.0
150.07669	3.1
151.11177	27.2
152.07059	2.6
153.12816	1.7
163.03900	57.7
163.06041	2.5
167.10747	1.9
169.12236	100.0
178.08411	1.7
181.04985	1.9
187.13292	52.3
196.82951	1.5
241.06964	2.2
246.60121	1.8
258.01019	1.6
259.08228	2.1
265.14172	1.6
272.10165	2.6
283.15381	5.7
283.18597	1.9
283.99030	3.3
295.10217	2.1
301.16458	17.2
302.00119	4.9
319.08075	8.6
319.17331	2.4
320.01556	1.9
365.29108	1.6
396.04480	2.3
427.15955	1.7
498.08249	15.1
498.22464	5.3
516.08380	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	498.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.8
57.03436	6.2
57.07075	16.8
59.04991	1.7
60.04496	0.6
67.01864	0.7
67.05510	4.0
68.99789	0.6
69.03433	17.6
69.07064	1.2
69.67836	1.8
71.04989	0.8
71.08630	16.6
76.72614	0.5
79.05494	0.7
79.36517	0.5
81.03427	1.3
81.07059	9.1
82.07402	0.6
83.08614	2.0
85.02901	12.1
85.06542	0.5
87.04469	12.0
95.08604	4.3
97.02898	14.3
97.10155	0.7
109.10159	2.0
115.03929	17.9
123.11725	2.9
127.03896	1.9
133.04968	18.3
141.12743	20.5
144.06395	0.5
145.04938	1.9
150.07620	1.9
153.01826	42.7
163.03934	0.9
169.15871	16.7
170.16280	0.5
171.02959	1.3
179.03325	2.6
187.16936	100.0
188.17264	2.2
199.03911	0.8
209.90599	0.5
241.07045	0.6
259.08115	0.9
267.98178	0.6
277.09457	0.8
282.37732	0.5
337.14456	0.7
401.42041	0.6
449.52005	0.7
463.17294	1.1
480.17334	0.8
498.30682	0.6
513.24500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.6
55.05513	2.1
57.03438	6.1
57.07066	0.6
58.06601	28.6
58.78608	0.3
59.04973	0.5
59.07380	8.5
60.08165	9.7
67.05502	4.8
69.07061	2.0
70.01471	0.8
71.04965	0.3
73.02894	1.1
75.04089	0.3
75.04473	3.5
79.05492	1.4
81.06646	0.4
81.07059	5.6
83.08584	0.7
84.08118	0.4
85.02907	2.4
87.03984	0.4
87.04472	4.9
91.05444	1.3
93.05481	0.5
93.07048	1.8
95.04942	0.5
95.08614	2.9
97.06515	0.3
101.06018	0.4
103.03924	0.8
105.05487	1.1
105.07037	0.7
107.08569	1.1
109.10128	1.1
113.05950	0.5
119.08554	0.6
121.10082	0.4
123.11647	0.4
131.07042	2.4
133.10121	0.6
135.11639	0.3
144.10193	7.3
159.06488	0.5
162.11275	4.4
163.36577	0.3
184.07344	0.4
198.97444	0.4
200.12820	0.3
202.88232	0.2
218.13860	0.8
236.14919	100.0
237.15265	1.6
269.17487	0.8
416.17749	1.1
436.37775	0.5
445.37827	0.3
463.30640	0.8
480.36819	21.3
481.37009	0.8
498.37894	74.9
499.38266	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	499.1425
Annotation	Sodium methotrexate
Peak:m/z	Relative Intensity
55.05511	0.6
61.02917	0.4
68.15295	0.4
69.03424	0.9
69.58663	1.7
70.93433	0.3
71.37339	0.3
79.09880	0.4
81.03435	0.5
81.07066	0.7
85.02898	1.0
85.06533	0.6
89.63954	0.4
93.07041	0.5
95.04949	0.3
95.08617	0.3
97.02879	0.8
103.60912	0.3
105.07038	0.3
107.08619	0.4
121.10087	0.4
137.05972	0.4
151.11198	0.7
169.12271	0.5
173.24135	0.4
175.03679	1.0
186.12318	0.4
187.13173	0.4
203.05321	1.0
232.09705	0.4
259.07974	1.0
337.08957	0.7
347.09482	11.1
387.12610	0.4
393.08469	0.4
475.43750	0.4
499.14182	100.0
500.14627	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	499.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.3
55.05499	0.6
66.00015	0.2
67.01863	2.4
67.05505	0.9
68.99782	1.5
69.03426	0.9
69.66153	0.2
69.66496	0.6
79.01850	0.2
79.05504	0.9
81.03410	0.8
81.07043	0.8
83.01316	0.2
83.08593	0.2
83.51208	0.2
85.55283	0.2
91.05459	0.9
91.98664	0.2
93.07038	0.5
95.04961	0.4
97.02888	0.8
105.07008	0.6
107.04939	0.3
107.08597	0.3
111.00784	0.3
111.04420	0.2
114.20580	0.2
119.08573	0.2
121.10112	0.4
123.04417	1.0
125.02345	0.2
127.03935	1.3
129.06938	0.3
131.08539	0.3
133.10115	0.3
135.04434	0.5
137.05997	0.2
139.03894	1.8
147.04457	0.3
147.11734	0.3
149.06021	0.2
149.09665	0.2
151.03900	0.2
153.01817	100.0
154.02150	1.1
155.03406	0.3
161.05965	0.5
163.03886	1.2
166.02638	0.5
169.04926	0.3
171.02887	2.1
173.02409	0.3
173.05997	2.7
175.07491	0.3
179.03375	3.8
181.06502	0.3
185.05972	0.5
187.03873	0.3
187.07483	1.0
189.05428	0.4
195.07928	0.3
197.05998	0.5
199.07516	0.7
201.05516	1.1
205.04895	0.2
211.07605	0.3
213.05481	0.5
213.09021	0.2
215.25790	0.2
217.04878	0.4
225.05424	0.3
227.07076	0.4
229.05026	0.3
267.13766	0.7
279.06509	0.4
285.14899	0.6
287.05569	0.3
289.07016	0.5
295.06021	1.6
303.15912	0.3
309.14853	0.2
311.12729	1.2
311.16321	0.5
313.14319	0.8
327.15866	0.3
329.13782	1.1
329.17377	0.4
337.14362	0.5
355.15369	2.3
357.08472	0.2
379.14951	0.2
421.16495	1.7
437.15964	0.7
439.17493	3.6
453.18954	0.2
463.17551	1.6
481.18521	4.2
498.27478	0.2
499.19254	0.8
499.26462	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	499.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.2
55.05494	0.6
65.66455	0.2
66.32430	0.2
67.01862	2.3
67.05494	0.6
68.99784	1.4
69.03420	1.1
69.07069	0.2
79.05488	0.7
80.72372	0.2
81.03419	0.7
81.07054	0.7
83.01307	0.3
83.08625	0.3
91.05474	0.6
93.07032	0.4
95.04959	0.4
95.08611	0.3
97.02891	0.7
97.10189	0.3
99.96973	0.2
105.07034	0.2
105.60359	0.2
107.08630	0.2
111.00806	0.5
121.10071	0.3
123.04428	0.8
125.02334	0.3
127.03918	1.4
129.07008	0.2
133.06398	0.2
135.04387	0.3
139.03896	3.2
145.06480	0.3
147.04370	0.3
149.05988	0.3
149.09583	0.2
151.03932	0.5
153.01822	100.0
154.02177	1.0
155.03386	0.4
161.05969	0.6
163.03870	0.7
169.04980	0.3
169.06503	0.2
171.02898	1.8
173.05981	5.7
179.03394	3.0
181.06398	0.5
185.05992	0.5
187.03777	0.2
187.07524	1.1
195.02995	0.3
197.04410	0.2
197.06003	0.5
199.07568	1.2
201.05444	1.7
202.39388	0.2
205.04880	0.2
211.07579	0.7
213.05394	0.3
213.09149	0.5
215.06989	0.2
217.04988	0.4
223.07455	0.3
225.05412	0.3
227.07104	0.5
229.04970	0.6
235.07230	0.2
253.04950	0.4
267.06674	0.3
267.13806	1.1
279.06497	1.2
285.14780	0.8
295.02682	0.2
295.05997	3.3
296.06897	0.2
303.15964	0.3
305.08060	0.2
311.12720	2.3
311.16089	0.2
313.14319	1.6
323.05447	0.2
324.05978	0.5
324.97379	0.2
325.06082	0.7
327.15912	0.7
329.13748	1.4
329.17581	0.7
337.14307	0.5
347.18597	0.2
355.15445	3.3
373.16302	0.3
393.17035	0.3
417.16779	0.4
421.16400	3.1
431.82321	0.2
437.15567	2.1
439.17511	8.1
453.19064	0.3
463.17380	1.3
481.18521	5.5
499.19305	1.0
499.25827	0.2
523.90503	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	499.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
55.05507	1.1
57.07085	0.3
63.57285	0.2
67.01859	2.2
67.05493	0.7
68.99784	1.7
69.03431	1.1
69.07066	0.3
69.96363	0.6
79.01847	0.3
79.05472	0.5
81.03422	0.2
81.07069	1.0
83.01342	0.4
83.04950	0.2
83.08612	0.4
85.02909	0.5
91.05453	0.3
93.07036	0.4
95.04996	0.3
95.08617	0.6
95.57887	0.2
97.02888	0.9
97.10203	0.2
98.23542	0.2
105.07059	0.2
107.08576	0.3
108.45261	0.2
109.10165	0.5
111.00784	0.6
111.04402	0.3
111.50163	0.2
117.06988	0.2
120.22525	0.2
123.04430	0.8
125.02357	0.2
125.09608	0.2
127.03963	1.0
129.06958	0.4
131.04941	0.2
131.08572	0.2
133.10066	0.2
135.56018	0.2
137.06049	0.2
139.03896	6.9
141.07014	0.2
145.06487	0.2
147.04405	0.3
151.03896	0.6
151.14932	0.2
153.01822	100.0
154.02159	0.9
155.03352	1.1
155.08536	0.2
157.06485	0.2
161.05969	1.4
163.03923	1.5
169.04956	0.6
169.06396	0.3
169.10056	0.2
171.02910	1.0
171.08069	0.3
173.05984	10.2
174.06441	0.2
175.07524	0.5
179.03380	2.4
179.08502	0.3
181.06473	0.7
183.08066	0.3
185.05986	0.7
187.03780	0.2
187.07518	1.6
189.05418	0.5
195.02869	0.2
195.08014	0.2
197.04411	0.4
197.06015	0.9
199.07544	2.9
201.05435	3.6
201.09271	0.2
205.05034	0.3
207.08031	0.2
209.05811	0.2
211.07494	1.0
213.05458	0.6
213.09088	1.0
215.06989	0.6
217.04912	1.4
223.07387	0.3
225.05521	0.3
225.09105	0.4
227.07054	1.0
229.04947	1.8
231.06503	0.2
239.06967	0.5
241.08640	0.2
249.12790	0.4
253.04904	0.6
265.12302	0.3
267.06418	0.3
267.13669	1.0
279.06497	1.9
281.15405	0.4
283.13269	0.2
285.14923	1.3
293.08273	0.2
295.06018	5.5
296.06662	0.4
297.07584	0.3
298.04684	0.3
303.15732	0.3
305.07959	0.3
309.14722	0.5
311.05554	0.4
311.12787	3.7
311.16245	0.4
313.14359	2.3
327.16019	1.1
329.13770	2.7
329.17462	1.0
331.15329	0.3
337.07040	0.3
337.14230	0.7
347.18655	0.4
351.15982	0.2
355.15402	4.0
373.16278	0.5
379.15475	0.4
393.16812	0.5
417.16843	0.5
421.16467	6.0
435.18011	0.6
437.15967	2.7
439.17523	15.7
440.17694	0.4
445.16599	0.3
453.19153	0.3
463.17487	2.1
481.18591	7.5
495.81046	0.2
499.19559	1.1
499.28534	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.2
54.38959	0.2
55.01860	0.5
55.05511	1.0
67.01868	2.2
67.05494	0.7
68.99790	2.0
69.03429	1.6
69.07069	0.6
69.62064	0.4
69.62443	0.4
71.01369	0.2
79.01881	0.2
79.05505	0.4
81.03416	0.3
81.07050	0.7
83.01305	0.2
83.08620	0.4
85.02891	0.3
91.05470	0.3
93.07059	0.4
95.04955	0.3
95.08610	0.5
97.02880	0.7
105.07021	0.3
107.08589	0.3
109.10130	0.2
111.00847	0.4
111.04402	0.2
115.05503	0.2
117.45374	0.2
123.04448	1.3
125.02383	0.3
125.20197	0.2
127.03912	1.0
129.06963	0.4
131.04930	0.2
131.46608	0.2
137.05930	0.3
139.03905	6.4
141.07034	0.4
143.04869	0.2
145.06523	0.3
147.04402	0.4
149.05984	0.5
151.03906	0.7
153.01825	100.0
154.02155	0.7
155.03404	0.8
155.04849	0.2
157.06487	0.3
161.06029	1.1
163.03879	0.5
165.07011	0.4
167.08641	0.2
169.04955	0.7
169.06468	0.5
169.10077	0.4
170.10437	0.4
171.02925	0.5
173.05981	10.6
175.07535	0.4
179.03386	2.5
181.01343	0.3
181.06458	0.8
183.07971	0.2
185.06009	1.2
187.07545	1.8
189.05461	0.6
192.04193	0.2
195.02821	0.2
195.07985	0.5
197.04424	0.3
197.05989	0.9
198.06694	0.3
199.07533	2.4
201.05444	3.0
201.09221	0.4
211.07504	1.3
213.05408	0.6
213.09157	1.1
215.07027	0.5
217.04919	1.3
223.07524	0.3
225.05490	0.4
225.09094	0.4
227.07045	1.5
229.04994	1.4
239.07112	0.4
241.08649	0.4
241.12303	0.2
249.12750	0.2
251.07051	0.3
253.05028	0.8
255.13884	0.3
265.12558	0.2
267.06580	0.4
267.13840	1.1
279.06586	1.6
281.15372	0.5
285.14969	1.2
287.05289	0.2
295.06006	6.0
295.13232	0.3
296.06674	0.4
298.04742	0.3
303.15869	0.3
305.08109	0.5
309.14951	0.4
311.05368	0.5
311.12805	4.1
311.16287	0.5
313.14285	2.4
327.15860	1.0
329.13800	2.8
329.17480	0.9
331.15335	0.3
337.06927	0.6
337.14209	0.9
347.18524	0.3
355.15387	3.9
373.16406	0.5
379.15527	0.3
389.17493	0.2
393.16855	0.4
397.16376	0.5
417.17197	0.4
421.16458	5.1
435.17947	0.5
437.15887	2.9
439.17514	15.5
440.17987	0.4
445.16455	0.4
453.19009	0.4
463.17587	2.0
481.18588	8.0
482.18689	0.2
499.19626	1.5
499.28760	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.2
54.21860	0.2
54.38851	0.1
55.01864	0.6
55.05499	0.6
67.01866	2.4
67.05502	1.1
68.99784	1.4
69.03423	1.0
69.07066	0.2
70.02862	0.5
73.02899	0.2
77.42249	0.1
79.05485	0.6
81.03416	0.6
81.07078	0.8
83.01331	0.3
83.08608	0.2
85.02942	0.2
91.05476	0.8
93.07040	0.4
95.04975	0.2
95.08597	0.4
97.02898	0.7
105.07031	0.5
107.05005	0.2
107.08553	0.3
109.10169	0.4
111.00814	0.6
115.05466	0.4
119.08553	0.3
121.10139	0.3
123.04433	1.0
125.02340	0.3
127.03934	1.9
128.06274	0.2
129.06960	0.3
131.04897	0.3
133.02841	0.2
133.10121	0.5
135.04422	0.4
137.02399	0.2
137.09593	0.2
139.03909	0.2
141.07018	0.3
143.08560	0.2
145.06448	0.2
147.04396	0.4
147.11736	0.2
149.05989	0.2
149.09613	0.2
151.03938	0.3
151.11180	0.2
153.01822	100.0
154.02150	1.1
157.06593	0.2
159.08015	0.2
163.03897	2.0
165.06996	0.3
167.03305	0.2
169.06396	0.3
171.02902	3.4
171.04341	0.3
171.07953	0.1
172.03223	0.2
173.05959	1.2
175.03932	0.4
179.03387	7.3
181.06516	0.2
185.06003	0.3
187.03827	0.3
187.07495	0.4
187.17001	0.4
189.01895	0.6
192.25542	0.2
193.04924	0.4
197.05969	0.7
199.03941	1.8
199.07542	0.4
201.05447	0.3
207.02852	0.5
213.05469	0.5
213.09068	0.2
217.04936	0.6
223.03882	0.4
223.07506	0.3
225.05489	1.1
227.07059	0.3
229.04918	0.3
237.05573	0.3
239.07014	0.5
241.05219	0.2
249.05569	0.4
251.07065	0.2
283.16937	0.2
285.14832	0.6
297.03986	0.2
303.15964	0.2
309.14700	0.2
311.12930	0.2
311.16360	1.3
315.04950	0.7
319.13196	0.4
329.17407	0.7
333.06091	0.2
335.16132	0.2
337.10403	0.3
337.14340	3.8
338.14828	0.2
344.93149	0.2
355.15231	0.9
386.82181	0.2
439.26251	0.2
445.16544	1.1
463.17514	4.5
464.18024	0.2
481.18585	2.2
481.53152	0.2
498.40714	0.4
499.19266	0.5
499.28543	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02402	0.1
55.01864	0.2
55.05495	0.3
60.78830	0.1
64.78459	0.1
67.01517	0.1
67.01866	2.3
67.05496	0.6
68.99787	1.2
69.03417	0.7
69.07063	0.2
71.04996	0.1
77.01534	0.1
79.01857	0.1
79.05484	0.9
81.03417	1.2
81.07053	0.8
83.01360	0.2
83.04948	0.1
83.08595	0.1
91.05484	0.8
93.07036	0.7
95.04968	0.4
95.08604	0.4
97.02908	0.6
98.23523	0.2
103.05464	0.1
105.07040	0.6
106.99330	0.1
107.04947	0.2
107.08599	0.4
109.06469	0.2
109.10130	0.3
111.00793	0.2
117.03320	0.2
119.08580	0.3
121.10160	0.3
123.04411	0.8
123.08069	0.2
125.02333	0.2
127.03919	1.3
129.01820	0.3
129.06966	0.2
131.08534	0.2
133.10147	0.3
135.04391	0.5
137.02336	0.2
137.05972	0.2
145.06409	0.1
147.04413	0.3
147.11690	0.2
149.09665	0.2
151.03952	0.3
153.01820	100.0
154.02176	0.9
157.10106	0.1
159.04420	0.2
161.02338	0.1
161.05960	0.3
163.03893	1.5
166.02615	0.3
171.02882	3.6
173.02370	0.3
173.06001	0.4
175.03969	0.1
179.03384	4.6
180.82404	0.1
185.06044	0.2
187.03870	0.4
187.07552	0.3
193.12206	0.2
199.03929	0.2
199.07516	0.2
201.05434	0.2
213.05450	0.4
225.05447	0.1
267.13840	0.3
285.14722	0.1
287.05432	0.3
289.07117	0.3
299.05487	0.2
303.15955	0.2
311.12863	0.2
311.16364	0.3
327.15921	0.1
329.17313	0.2
337.14249	0.2
339.08456	0.2
351.36282	0.2
355.15384	1.7
371.14963	0.3
417.10413	0.1
437.15921	0.3
439.17499	0.4
463.17636	0.7
481.18555	3.6
499.19391	0.6
499.26926	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	499.3403
Annotation	Hyperibone J
Peak:m/z	Relative Intensity
55.05508	1.5
55.79705	0.5
57.03440	0.7
57.07069	0.6
57.92855	0.5
67.05511	3.7
67.46111	0.6
69.07066	1.9
69.22047	1.6
69.22455	1.2
79.05507	2.6
79.20530	0.6
81.03432	0.7
81.07053	4.2
83.04966	0.8
83.08625	1.1
85.06578	0.6
85.10168	0.7
91.05468	2.7
93.07038	2.4
95.04976	1.0
95.08617	3.8
97.06510	0.6
98.22710	1.3
105.07033	2.0
105.96136	0.5
107.04945	1.2
107.08576	1.6
109.06544	0.8
109.10106	1.0
117.07053	1.5
119.08614	1.7
121.10083	0.6
123.08037	1.3
128.06136	0.6
129.06981	0.9
131.08575	1.4
133.06557	0.6
133.10173	1.1
135.11714	0.7
141.07028	0.8
141.20241	0.6
143.08600	1.1
145.06497	1.1
145.10071	1.1
147.11780	0.9
153.01842	1.9
155.08568	0.7
157.06613	0.6
159.11740	0.7
169.10179	1.1
171.11714	0.7
179.63579	0.6
183.11758	1.1
189.12833	0.5
195.11774	0.7
229.88623	0.6
232.33513	0.5
236.37897	0.6
241.14326	0.7
265.59665	0.6
275.20123	0.7
327.28793	2.6
445.31165	1.0
463.32013	1.0
481.33252	2.1
499.33875	100.0
500.34344	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	500.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04724	0.2
68.95234	0.2
69.03413	0.3
69.48051	0.6
69.48467	0.4
79.05499	0.2
85.02882	0.9
90.22514	0.2
91.05495	0.4
94.04182	1.3
95.04993	0.3
95.08645	0.2
97.02917	0.3
98.23495	0.2
121.06533	0.4
122.03655	4.1
126.02727	0.2
137.05983	100.0
138.06319	1.1
147.04408	0.3
149.06018	0.9
151.07553	0.5
153.06985	0.9
176.33064	0.2
178.56261	0.2
179.07043	1.2
180.08633	0.4
181.06509	1.3
195.07916	0.2
198.06847	0.2
209.06039	0.3
212.56908	0.2
213.09128	1.1
225.09065	0.3
241.08565	1.3
253.08665	0.5
273.11221	4.3
285.11221	1.3
303.12280	1.5
430.85681	0.2
498.35547	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	500.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
65.52639	0.3
67.05502	1.1
68.05838	0.4
68.11578	0.4
69.03413	0.7
69.35382	2.0
79.05488	1.8
81.07050	1.2
83.04971	0.6
85.02901	2.0
87.04474	0.3
88.98470	0.4
91.05479	0.7
91.51300	0.4
93.07047	2.4
94.04182	1.8
94.07393	0.4
95.04950	0.5
95.08598	1.7
97.02912	0.8
103.05472	0.8
107.08575	1.0
109.06482	0.6
109.10168	0.6
109.62772	0.4
111.04473	0.4
111.08080	1.0
115.07583	1.9
116.07898	0.5
121.06536	0.4
122.03656	4.4
123.08082	0.7
129.05487	2.8
131.04910	2.5
137.05974	100.0
138.06297	1.6
141.09109	1.0
153.09088	1.1
157.12280	0.4
159.10205	0.7
163.07561	6.1
171.10191	3.4
175.13312	0.8
176.13660	0.8
178.48021	0.4
189.11177	3.8
241.08791	0.4
253.08566	1.2
261.96201	0.4
285.11108	0.6
321.58997	0.4
368.78366	0.4
402.81955	0.4
500.14038	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.4
62.00304	0.6
67.05497	0.7
69.03427	7.2
70.06503	0.6
79.05479	1.3
81.07056	1.4
85.02897	3.6
87.04453	4.0
91.05461	1.3
93.07031	1.3
95.08593	1.0
97.02892	4.3
97.06525	2.4
105.07039	1.6
115.03928	4.2
119.08611	1.9
121.06467	0.7
121.10124	1.1
128.06224	5.2
129.06973	2.8
133.04970	4.9
133.10170	1.0
141.06985	17.6
142.07787	1.9
143.08563	12.2
145.10158	1.4
147.08087	1.2
150.07631	2.4
153.01834	15.4
153.07043	1.0
154.02135	6.5
155.08588	5.0
156.09340	50.5
157.10005	1.0
157.43942	0.8
158.10896	0.8
159.04445	0.6
159.11591	0.7
159.71425	0.7
163.03893	1.7
171.11688	100.0
172.11992	1.9
173.13255	4.2
185.13214	1.1
187.11134	1.3
189.12752	3.6
213.12726	1.3
215.06851	0.8
259.09677	2.9
303.15750	1.6
321.24298	1.0
440.17798	0.9
500.28583	2.3
501.30438	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	500.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56276	0.2
56.05017	0.4
58.06609	0.5
60.07865	0.4
60.08162	5.6
61.55483	0.2
67.05518	0.2
69.03432	0.5
69.07064	0.3
70.29922	0.2
71.07368	2.6
71.45208	0.2
75.10310	0.2
79.05441	0.3
81.03414	0.3
81.07053	0.7
83.08608	0.8
84.08949	0.3
85.02902	0.7
86.09705	25.4
87.10005	0.3
91.05456	0.4
93.07046	0.6
95.04944	0.3
95.08617	0.3
97.06527	0.4
97.10119	0.3
98.98460	2.3
104.10738	3.0
105.07021	0.2
121.06536	0.2
121.10139	0.2
123.11707	0.3
125.00002	17.8
135.04381	0.2
137.05946	0.2
147.04465	0.3
147.11691	0.3
157.15880	0.3
163.03893	0.8
171.13838	0.3
176.17227	0.3
181.04933	0.8
184.07338	100.0
185.07652	0.6
223.99623	0.2
257.20871	0.2
258.10843	0.2
259.09775	0.4
432.21359	1.0
450.22522	11.2
482.25052	0.3
501.19531	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
55.05504	1.6
57.03423	2.6
59.05009	2.0
67.05505	1.6
69.03432	12.5
69.07065	2.4
70.00942	2.1
70.06567	0.9
71.04990	13.3
73.02921	2.6
73.06562	2.1
79.05497	4.4
81.03400	1.9
81.07051	16.7
83.08623	1.0
85.02907	11.2
85.06541	12.3
87.04464	7.0
91.05473	1.6
93.07040	13.8
95.04948	1.2
95.08607	3.1
97.02886	12.0
97.06521	4.8
105.07034	1.0
107.08588	8.7
109.10152	2.8
115.03921	16.9
115.07563	1.2
127.03915	3.0
129.52190	0.9
133.04968	17.4
135.11688	20.3
145.04967	3.0
153.12744	100.0
154.13058	1.4
163.03902	1.1
163.06065	2.2
171.10175	1.4
171.13805	3.7
177.05669	0.8
189.14818	2.6
238.45540	0.9
241.07037	2.7
259.08130	2.0
295.10291	3.5
450.93842	1.0
500.15698	1.0
501.19595	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
55.05501	3.7
57.03436	3.5
57.07071	4.6
59.04982	0.7
61.02919	3.1
67.05481	1.9
69.03429	7.7
69.07065	31.7
71.01360	0.9
71.04990	0.7
71.43750	0.7
73.02914	15.2
79.05493	2.0
81.03407	2.2
81.07053	2.2
83.04977	0.9
83.08620	13.8
85.02405	1.0
85.02906	16.6
87.04448	0.8
89.03914	7.6
90.04250	2.9
91.05504	0.6
93.07042	1.9
95.04969	3.6
95.08601	2.3
96.05271	0.8
97.02273	0.7
97.02890	13.5
97.06533	3.5
97.10161	0.9
99.04472	0.8
107.04947	4.9
107.08604	1.7
108.05276	0.8
109.02888	2.4
109.10142	1.5
115.03921	5.8
117.03371	9.7
118.03725	4.2
123.11819	0.7
123.13795	0.6
124.07576	0.7
125.13265	5.3
126.09160	2.0
127.03919	4.7
131.04933	1.8
133.04971	7.2
134.03665	0.8
135.04414	16.8
135.11676	4.7
136.04744	7.7
143.14311	4.9
145.02855	13.4
145.04924	6.4
146.03186	5.9
150.07617	0.9
151.03918	1.2
153.12744	19.7
163.03899	100.0
163.06082	3.3
164.04239	53.3
165.04459	1.2
171.13799	59.8
175.33765	0.6
189.14857	26.4
195.06616	0.7
223.05998	1.1
241.07062	2.1
259.08121	2.0
295.10229	1.1
314.14789	0.6
319.08157	8.7
320.08466	13.3
320.14816	0.9
500.12592	7.7
500.23782	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.6
55.05504	10.5
55.43992	2.2
57.03411	2.4
57.07066	8.1
64.63331	2.5
67.05497	7.7
69.03391	5.7
69.07057	7.8
69.21484	11.6
71.04984	4.1
76.30482	2.5
79.05479	7.3
79.09948	2.4
81.03409	4.0
81.07042	9.9
83.04972	11.4
83.08620	7.2
84.26911	2.4
85.02890	11.2
91.05482	14.1
93.07058	16.8
95.04978	5.0
95.08601	21.9
97.02896	9.1
97.06532	2.7
102.99764	2.2
105.07016	23.8
107.04876	2.8
107.08592	19.7
109.10152	16.3
111.08095	5.1
113.17492	2.4
117.07001	7.6
119.08571	41.0
121.06514	5.0
121.10132	31.3
123.04401	2.5
123.08047	4.0
123.11718	5.7
125.09694	2.6
129.07002	3.2
131.08557	24.4
133.10153	24.3
135.08081	5.1
135.11720	12.6
137.09654	4.8
139.11200	16.3
142.07777	3.3
143.08542	11.8
145.10121	60.9
147.08052	18.1
147.11668	16.6
149.09624	10.8
149.13194	3.1
151.11198	3.1
154.29745	2.4
155.08507	4.4
156.09334	5.8
157.10095	18.1
159.08073	5.1
159.11667	20.8
161.09598	8.4
161.13261	7.3
163.03918	3.9
163.07500	4.1
163.11220	3.3
163.14828	4.0
165.09131	19.3
167.10640	2.6
168.09380	2.9
169.10124	9.0
170.10927	4.5
171.11667	18.2
172.12428	5.6
173.09660	10.7
173.13263	32.2
175.11185	5.2
175.14874	13.9
177.16350	9.4
183.11673	8.4
185.09641	3.6
185.13257	13.4
187.11182	10.3
187.14815	56.4
188.15619	20.9
189.12761	4.0
191.10701	4.0
193.15865	5.6
195.11621	4.8
196.12566	3.8
197.13235	14.0
199.11191	11.9
199.14873	5.0
201.12746	9.9
203.14297	3.8
205.15875	48.4
207.11668	3.6
209.13216	6.7
210.13963	3.7
211.11197	4.7
211.14812	4.2
213.12709	3.2
215.10695	3.3
215.14351	6.1
217.12247	3.4
219.13820	3.3
225.12758	11.4
227.14365	9.7
229.12238	5.9
229.19485	4.9
239.14281	2.9
239.17931	14.8
241.19492	3.2
242.13148	6.8
243.13847	19.6
245.15453	7.8
247.13293	3.4
257.19034	20.3
261.14886	4.7
267.17435	13.7
275.20126	8.5
285.18481	84.7
303.19528	57.6
335.09561	13.7
501.23123	100.0
528.47101	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	500.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26241	2.0
53.03916	2.4
55.01871	2.2
55.05510	4.5
57.03416	2.8
57.07053	7.2
59.32998	1.9
67.05497	6.4
68.15566	1.9
69.03424	4.1
69.07063	7.1
69.21169	12.3
79.05487	7.3
81.07050	8.3
83.04975	10.2
83.08624	5.7
85.02886	6.4
91.05492	12.4
93.07053	12.0
95.04969	3.5
95.08591	18.0
97.02895	7.2
97.06497	3.6
99.25509	2.0
105.07027	16.0
106.25581	2.1
107.08575	16.0
109.02823	2.2
109.06503	2.9
109.10150	14.3
109.74454	2.4
111.08068	4.5
111.11713	2.2
117.07003	6.8
119.08568	34.3
121.10152	24.2
123.08042	4.4
123.11678	2.4
125.06015	2.4
129.06984	3.0
131.08565	19.5
133.10121	18.2
135.08069	4.8
135.11671	8.3
137.05989	3.7
137.09636	4.3
139.11186	13.1
142.07805	3.1
143.08548	7.0
145.10129	63.6
147.08080	16.5
147.11691	19.1
149.09613	10.8
149.13339	2.5
151.07521	2.2
151.11102	2.8
155.08583	5.4
156.09332	5.8
157.10100	11.0
158.10878	4.4
159.08076	3.0
159.11678	16.0
161.09612	5.6
161.13210	7.4
163.03949	4.5
163.07494	2.5
163.11140	6.6
163.14760	3.2
165.09084	17.7
167.08493	2.5
167.10709	3.3
169.10088	7.0
171.08058	2.6
171.11667	16.5
172.12392	3.3
173.09625	8.4
173.13269	23.4
175.11211	3.5
175.14832	10.9
177.16336	6.6
181.10146	2.6
182.10948	3.5
183.11678	10.6
185.09590	4.4
185.13208	10.3
186.14059	2.3
187.11191	8.8
187.14807	48.9
188.15581	17.9
189.12688	6.2
191.10664	4.9
193.15936	3.0
194.10919	2.6
197.09616	2.4
197.13225	12.1
199.11131	8.0
199.14833	4.4
201.09062	2.2
201.12735	12.1
203.14226	3.3
205.15877	46.7
209.13217	4.7
211.11182	8.7
211.14752	4.3
215.10709	3.5
215.14207	4.4
221.15474	2.5
223.16858	2.7
224.15604	2.6
225.12686	10.4
225.16261	3.3
227.14247	8.7
229.12291	6.0
229.15714	3.4
239.17943	13.1
242.13019	5.6
243.13774	12.9
243.17415	3.0
245.15390	7.3
247.13367	2.8
257.19058	11.9
261.14966	3.4
267.17462	12.8
275.20004	5.2
285.18491	84.3
298.89648	2.4
303.16174	4.2
303.19537	51.4
335.09253	13.0
501.23047	100.0
501.30557	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	501.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01864	0.8
57.03443	0.5
59.04993	0.7
65.03950	1.9
67.05499	1.0
69.03426	2.6
69.07063	0.9
69.32742	1.0
69.33128	0.9
69.47421	0.5
71.04993	1.1
79.05495	1.8
81.07050	2.0
83.05003	0.7
85.02905	2.4
85.06522	0.8
87.04467	0.9
89.03922	6.8
91.05481	15.3
92.05842	0.4
93.07052	1.9
95.04955	2.4
95.08612	1.3
97.02882	1.4
97.06523	0.9
99.08064	0.5
105.07030	1.9
107.04958	3.4
107.08572	1.7
109.02900	1.0
109.06545	0.8
109.10175	1.8
111.04498	0.5
111.08059	0.9
115.03903	0.8
115.49468	0.4
116.23735	0.4
117.03378	6.9
119.04942	28.1
119.08556	1.1
121.02869	0.5
121.06532	0.7
121.10136	1.0
123.11709	0.6
125.02371	0.5
125.09644	0.7
127.03925	0.8
133.04973	1.2
133.10141	0.7
135.04414	15.2
135.08069	0.5
135.11714	0.9
137.05971	1.4
137.09616	0.5
145.01712	0.5
145.02855	9.9
145.03902	0.3
145.04967	0.4
145.10143	0.6
145.12236	0.9
147.04407	100.0
147.11650	0.7
148.04768	1.7
149.09641	0.5
151.03925	1.1
153.12704	0.6
159.13814	0.6
161.06012	0.6
163.03902	72.2
163.11179	0.8
164.04193	1.5
167.07053	0.5
171.13687	0.5
177.05478	0.8
178.04927	0.5
179.03429	0.5
187.07521	0.6
190.15060	0.5
191.10551	0.5
194.45372	0.5
195.06552	0.8
227.07143	0.5
303.08725	3.1
311.05249	0.6
319.08057	2.0
321.09558	0.9
337.09134	0.5
369.18933	0.5
453.96564	0.5
483.13086	3.2
501.10236	1.1
501.23297	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	501.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98251	0.3
56.36098	0.4
67.05511	0.4
67.74891	0.3
70.55431	0.5
71.04990	0.4
72.25822	0.3
72.91499	0.4
74.14643	0.3
79.05468	0.4
81.07067	0.4
83.05000	0.4
85.02898	0.5
91.05482	0.5
93.07022	0.7
95.08605	0.8
105.07039	0.6
107.08566	0.8
109.10126	0.5
119.08569	0.9
121.10143	0.5
125.02325	0.4
131.88550	0.3
132.49841	0.4
133.10071	0.7
137.05878	0.7
145.10127	0.9
146.10489	0.5
147.04430	0.5
163.03935	0.9
164.56648	0.3
172.12041	0.4
174.13551	0.4
184.12035	0.4
187.14919	0.3
188.15292	0.7
206.16226	0.4
244.14085	0.4
275.07260	0.7
285.18524	0.8
286.18710	1.8
303.19745	0.4
304.19904	1.0
335.09479	11.0
369.18835	1.7
501.23068	100.0
502.23508	3.5
517.15332	0.4
523.14478	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92501	0.3
51.29606	0.3
54.12396	0.3
67.05504	0.6
69.03438	0.4
69.07052	0.4
79.05504	0.7
81.00665	0.3
81.07054	1.4
83.12133	0.3
85.02869	0.4
85.06568	0.4
86.09721	0.4
91.05488	0.7
93.07040	0.9
94.25929	0.3
95.04984	0.5
95.08607	1.0
99.75965	0.3
105.07028	0.8
107.08593	1.2
109.06544	0.6
109.10159	1.0
119.08598	1.1
121.10165	0.9
121.59672	0.3
123.17629	0.4
125.09669	0.6
131.04907	0.4
131.08609	0.6
133.10098	0.8
137.05951	0.6
137.09535	0.4
139.74884	0.3
145.10139	0.5
147.04369	0.8
149.06003	0.4
150.36172	0.3
153.01825	0.4
153.09056	0.4
154.02043	0.4
159.11674	0.6
164.07059	0.4
175.11147	0.3
199.14899	0.5
235.16374	0.3
321.23837	0.5
333.05765	0.4
339.24875	0.5
415.23001	26.7
416.23578	0.5
459.62924	0.4
501.18805	10.0
501.30313	100.0
502.17786	0.5
502.30682	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01867	3.1
57.03440	2.9
61.02929	3.9
66.16280	0.5
67.05477	0.5
69.03430	20.2
69.80561	1.5
71.04996	5.7
73.02914	3.0
79.05487	0.8
81.03417	22.3
83.04969	0.6
85.02418	1.0
85.02905	18.8
87.04485	1.3
91.03951	0.8
95.04960	6.6
97.02894	7.5
98.22765	0.6
99.04456	8.7
105.07014	0.6
107.04932	0.6
109.02841	2.2
109.06480	0.9
115.03937	0.6
117.05479	1.9
123.85673	0.4
127.03906	3.4
133.04933	0.6
133.06685	0.5
133.07611	3.3
134.06024	1.0
137.06012	1.0
145.04964	3.0
151.07509	0.6
153.09108	1.6
160.07570	0.7
161.05879	0.8
161.07103	7.5
163.03958	1.2
163.08684	4.1
176.03459	1.1
178.07365	1.4
179.06981	1.6
179.08299	1.0
189.06584	5.5
191.08153	6.9
205.06026	0.6
206.06908	0.7
207.07642	100.0
208.07925	2.4
209.15361	4.4
219.07620	1.1
221.09175	0.9
231.11278	0.7
245.09201	0.5
249.08687	1.1
287.10287	0.8
305.11279	2.4
323.12366	33.9
324.12769	1.8
341.13416	89.6
342.13702	2.7
503.21353	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	503.1892
Annotation	Tryptoquivaline I
Peak:m/z	Relative Intensity
67.05494	0.6
69.03427	2.5
69.07081	0.6
69.19070	0.6
69.19708	2.4
79.05505	0.9
81.03405	1.7
83.04971	0.7
85.02924	1.6
85.06538	0.8
86.09696	0.8
91.05473	0.9
95.04961	0.9
95.08636	0.8
97.02892	1.9
98.97591	2.4
105.07021	1.5
107.04920	1.3
107.08601	0.9
109.02887	1.1
116.98625	0.8
118.06605	0.5
119.08604	0.8
133.10109	1.6
135.04387	0.8
137.05992	2.1
143.00218	0.6
145.10124	1.0
147.07704	1.1
147.11755	0.6
151.03935	0.8
157.10112	0.6
159.11710	0.9
161.05978	1.2
163.03925	2.2
164.10674	0.6
165.05557	0.9
173.13307	1.1
177.05496	0.7
185.13145	0.6
187.03979	0.7
191.14343	1.3
201.00793	0.8
202.08574	0.7
205.64041	0.6
209.08426	0.6
209.15324	1.1
219.01686	0.8
249.02878	1.2
291.03833	2.1
298.14484	0.6
311.09225	0.5
335.09628	4.2
335.22537	0.5
349.05063	0.7
371.16769	2.3
497.08676	0.7
503.19870	100.0
504.19559	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69523	0.1
51.02382	0.2
53.03948	0.3
55.05516	0.8
57.03431	0.3
63.02383	0.5
64.90472	0.1
65.03942	0.2
67.05501	0.8
69.03444	0.7
69.07079	0.3
75.43505	0.1
77.03934	0.5
79.05491	4.5
79.05948	0.3
81.03412	0.2
81.07048	0.7
83.04972	0.6
83.08634	0.2
83.58665	0.1
85.02904	0.5
85.06543	0.2
89.03915	9.2
91.05474	2.3
93.07043	7.4
95.04963	3.0
95.08589	0.7
97.02894	0.3
100.11230	0.3
103.05409	0.2
105.04502	0.9
105.07024	1.5
106.07831	0.2
107.04945	2.8
107.08585	2.1
109.10161	0.3
111.04442	0.5
117.03376	11.2
118.03712	0.1
119.08585	0.5
121.06512	0.3
121.10144	6.9
122.10525	0.2
123.04369	0.2
123.08050	0.2
123.11685	0.3
131.04947	0.1
131.08553	0.4
133.10117	0.4
135.04413	21.1
136.04778	0.3
137.05984	0.8
137.09601	0.2
139.03886	0.3
139.11142	0.2
145.02843	14.3
145.10124	0.2
146.03149	0.2
147.04379	0.6
147.08076	0.2
147.11676	0.2
149.09625	1.9
157.10155	0.2
161.05965	0.3
163.03896	100.0
164.04242	1.6
167.10660	0.3
174.90936	0.1
175.03871	1.0
175.07536	0.2
181.04944	0.5
182.15338	0.2
186.05452	0.2
189.92220	0.2
191.14285	0.3
197.84337	0.1
209.15347	0.3
229.78676	0.1
265.12210	0.2
267.10165	0.1
283.13297	0.2
287.23605	0.2
305.13803	2.0
311.12744	0.4
319.08148	1.4
323.14969	0.2
337.09152	7.2
378.92007	0.2
428.44095	0.2
485.18121	1.7
503.24033	0.9
503.36041	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	503.2463
Annotation	Gln Asn Leu Glu
Peak:m/z	Relative Intensity
53.72339	0.3
67.05505	0.6
69.07077	0.6
81.07040	0.6
84.81689	0.3
95.08600	0.9
95.50795	0.3
105.07034	0.6
107.08589	0.7
113.96458	0.3
119.08575	0.8
121.10133	0.6
133.10146	0.5
134.92587	0.3
135.11678	0.4
137.05946	0.6
145.10139	0.5
147.15129	0.3
165.05457	0.6
205.81396	0.4
331.26462	0.3
371.20276	2.8
482.93909	0.4
503.24594	100.0
504.24878	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	503.2489
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
53.46087	0.8
57.03430	0.9
60.42729	0.8
61.93713	0.8
65.93192	0.9
67.05519	1.0
69.03428	3.2
69.07047	1.3
69.13234	5.2
73.02900	1.6
79.05489	2.6
81.07049	4.5
85.02901	1.6
87.60048	0.8
91.05487	3.2
93.07065	1.7
95.08604	1.1
97.02899	1.0
105.07018	3.1
107.04958	2.0
107.08611	12.0
109.06525	5.4
109.10164	3.7
115.05486	1.1
115.50275	0.7
117.07021	1.6
119.08587	1.6
121.10139	8.5
122.07282	2.8
123.08055	1.1
131.08531	1.1
133.10127	100.0
134.10492	1.3
135.08063	9.8
135.11650	1.9
137.09613	53.2
145.09996	0.9
147.11671	1.5
149.09619	1.2
149.13260	10.2
163.14807	2.5
165.12775	1.3
173.13287	5.7
174.29532	0.9
180.48103	0.9
191.14310	54.7
209.15364	34.6
210.15717	1.6
233.27866	0.8
503.20068	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31014	1.5
55.05517	2.4
67.05498	3.9
69.03432	8.0
69.07076	5.0
69.43429	7.6
69.66842	1.7
79.05524	3.2
81.07057	10.7
83.04980	5.2
85.02908	2.8
91.05460	4.2
93.07050	6.0
95.04999	2.4
95.08594	9.0
97.02866	2.2
97.06552	2.3
98.23478	3.2
99.08096	2.2
105.07041	5.7
107.08588	30.0
109.06538	8.5
109.10168	13.2
111.95462	1.8
118.86317	1.5
119.08563	1.8
121.10130	19.6
122.07262	1.7
123.11729	1.8
125.09665	7.3
131.08571	4.5
133.10126	79.7
135.08076	12.1
135.11674	4.4
137.09613	52.2
139.11182	2.0
145.10170	2.3
147.11711	6.5
149.09630	5.8
149.13240	16.2
151.11172	38.7
163.03893	9.6
163.14824	11.0
173.13277	12.1
173.77718	1.7
191.14305	91.4
192.14775	2.2
207.28958	1.7
209.15350	100.0
312.57520	1.6
371.20554	2.1
417.83615	2.3
503.18933	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	503.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30124	0.8
55.01873	2.0
55.05505	2.3
57.03426	1.1
57.07068	1.1
67.05495	2.1
69.03428	4.2
69.06706	1.0
69.07069	11.4
71.04978	2.0
73.02901	2.0
79.05511	3.5
81.03428	1.6
81.07047	4.0
83.04970	1.2
83.08652	1.2
85.02906	6.7
85.06547	1.2
86.09712	4.5
87.04456	0.9
89.03919	1.1
91.05462	3.9
93.07043	10.8
95.01250	0.6
95.04951	2.6
95.08606	6.5
95.12239	0.6
97.02879	2.6
97.06511	2.2
99.04410	1.1
105.07018	4.3
107.04922	1.4
107.08604	9.2
109.02835	1.4
109.03597	0.7
109.06499	2.6
109.10163	3.1
111.08064	1.8
115.03901	0.9
115.05469	1.3
117.03384	1.4
117.07037	1.6
118.79916	0.7
119.08592	3.5
119.92329	0.7
121.06514	11.4
121.10165	8.7
122.03640	1.9
123.08081	1.3
123.11729	1.8
125.09582	0.8
127.03973	0.9
128.06261	0.7
131.04855	1.1
131.08546	3.1
133.05017	1.0
133.10121	10.2
135.04431	3.2
135.08075	7.8
135.11674	2.9
137.05988	16.9
137.09644	2.6
139.11131	0.9
145.02872	1.4
145.04976	1.1
145.10117	2.4
147.04417	1.6
147.08080	1.1
147.11685	25.0
149.09628	4.8
149.13268	6.3
151.11208	0.8
156.56654	0.8
158.10922	1.4
161.05983	2.9
161.09601	3.5
163.03906	14.1
163.07541	6.8
163.11168	1.8
163.14806	1.7
167.06964	1.1
173.13231	8.3
175.07550	6.9
176.11949	0.9
179.03419	1.8
181.08580	0.8
191.14311	100.0
192.14671	1.7
199.07599	2.2
201.09180	0.8
203.08505	1.0
209.15367	16.0
209.17238	1.3
211.16937	0.9
219.08060	1.4
231.08063	1.0
248.08398	0.8
251.10670	1.9
256.16458	1.0
271.05847	1.8
279.10062	1.8
291.10028	1.3
292.11008	0.8
307.07990	1.1
311.12762	3.3
323.12668	2.1
348.98047	0.8
503.19003	4.8
523.79657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2491
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
55.01870	2.1
55.05512	2.5
57.03432	6.8
59.04999	1.4
61.02925	3.2
65.03926	1.3
67.05504	5.3
69.03430	17.7
69.07071	1.4
70.17574	1.1
71.01349	0.9
71.04993	4.2
73.02917	16.5
79.05486	2.5
81.03429	2.0
81.07049	4.8
81.41206	0.6
83.04977	5.4
83.08624	3.6
85.02401	1.3
85.02907	18.8
85.06548	2.0
86.09701	1.3
87.04472	8.6
91.05489	1.9
93.07049	4.9
95.04967	100.0
95.08606	3.4
96.05295	1.2
97.02892	15.0
97.06524	3.6
98.23431	0.8
99.04453	21.9
99.08106	0.9
103.03947	0.8
103.05457	0.8
105.07022	3.1
107.04954	1.0
107.08585	5.3
109.02879	1.3
109.06495	3.1
109.10162	15.3
111.08087	1.8
113.07047	0.7
115.03924	13.5
115.07564	0.8
117.03372	0.7
117.07021	0.9
119.04964	0.7
119.08608	1.6
121.06531	1.2
121.10141	3.4
123.04437	0.9
123.08083	1.9
125.05988	1.3
125.09645	1.7
127.03907	2.9
131.08549	3.1
133.04958	11.3
133.06552	0.9
133.10127	14.5
135.04434	1.6
135.08066	10.0
135.11673	0.8
137.05966	2.6
137.09619	2.0
139.03896	0.9
139.11192	2.1
143.10594	0.6
145.02869	1.0
145.04956	3.4
145.10107	1.5
147.04391	0.8
147.11716	1.1
149.06009	0.6
149.09616	1.8
149.13284	2.9
151.07538	1.8
151.11247	2.8
153.09105	31.2
155.07080	0.8
161.05977	0.7
163.03889	3.5
163.06027	0.8
163.07407	0.6
163.14882	1.1
167.07104	0.7
167.14354	2.3
169.12236	1.9
173.13258	9.6
175.07541	0.8
177.05489	1.4
179.06993	1.1
181.12242	2.4
185.08054	1.7
189.12839	1.0
191.14294	12.9
192.06615	0.9
193.15910	1.4
195.10194	1.4
199.05911	0.7
207.13690	0.9
209.15363	69.7
210.15698	0.9
215.55859	0.7
233.15408	3.3
235.08087	0.8
251.16551	0.8
305.17493	1.1
323.18570	1.7
333.07971	1.7
335.09335	1.5
335.18518	1.5
341.19904	1.7
353.19617	0.9
357.27481	0.7
371.16553	1.1
371.20621	4.9
492.11206	0.5
503.20810	34.0
504.20572	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39593	0.7
53.03932	1.1
53.80266	0.8
55.01862	3.1
55.05497	2.3
57.03436	8.8
57.07064	0.8
59.04987	2.1
61.02915	3.8
65.03928	1.3
67.05500	5.0
69.03067	1.5
69.03427	27.1
69.07057	2.6
71.01334	1.3
71.04984	4.6
73.02539	1.3
73.02916	17.3
73.41622	0.8
79.05478	3.2
81.03390	3.5
81.07044	6.6
82.08613	0.8
83.04601	0.8
83.04980	7.9
83.08609	5.6
85.02903	24.9
85.06534	2.5
86.09695	1.7
87.04472	11.4
88.26421	0.8
91.05464	3.3
93.07044	8.6
95.04965	100.0
95.08601	4.6
97.02895	17.7
97.06517	3.9
99.04452	22.6
99.08068	1.5
103.03948	2.2
105.07047	4.3
107.04919	1.5
107.08604	9.4
109.02859	1.7
109.06503	6.4
109.10152	19.6
111.08076	2.4
115.03928	16.8
115.86628	1.0
117.07034	2.0
119.08561	2.5
121.06498	1.8
121.10128	5.4
123.08036	2.8
123.11695	1.8
124.40910	0.8
125.05970	2.2
125.09634	3.3
127.03880	5.0
131.08543	2.0
133.04955	13.1
133.06491	1.0
133.10126	13.3
135.04405	1.2
135.08047	14.7
135.11617	1.1
137.05971	2.5
137.09573	2.2
139.11209	4.0
145.04947	2.5
147.11664	1.8
149.05968	1.4
149.09599	3.0
149.13245	3.6
151.07539	2.3
151.11211	4.7
153.09096	32.1
157.04971	1.2
163.03880	2.8
163.06169	0.9
163.14813	2.4
165.05499	1.1
167.06995	1.5
167.14285	4.7
169.12244	3.2
173.13268	9.9
175.11166	1.2
175.42900	1.0
177.05418	2.4
179.07001	1.9
181.12184	6.2
184.07336	2.4
185.08022	2.7
191.14291	13.2
192.06468	0.9
193.15959	1.8
195.10126	2.2
203.08960	0.9
207.13687	1.0
209.15361	73.1
215.14195	1.0
233.15311	4.8
235.07997	1.1
251.16440	1.3
268.83682	0.8
275.16473	1.0
284.94257	1.2
295.15582	1.4
305.17548	1.1
315.14410	1.2
323.18576	1.8
333.07892	5.5
335.09314	1.7
335.18491	2.5
341.19522	3.1
353.19650	2.1
370.68103	1.0
371.16745	1.7
371.20660	7.1
391.48285	1.1
503.20792	45.4
504.21271	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.01862	2.8
55.05511	9.3
57.03426	4.7
57.07062	2.6
65.03951	1.4
67.05175	0.9
67.05503	13.6
69.06775	0.9
69.07073	9.7
71.04962	2.4
71.08640	6.3
75.04488	1.0
79.05495	10.8
79.31021	0.9
81.07054	20.7
83.04951	2.0
83.08622	5.0
85.06530	1.6
91.05476	5.7
93.07042	13.0
95.04946	1.3
95.08014	1.3
95.08607	15.9
97.06522	4.1
97.10188	1.9
98.22701	2.0
98.98467	72.6
99.08068	3.5
105.07029	9.3
107.08584	12.4
109.06519	15.1
109.10152	5.4
111.08041	1.9
117.06984	2.9
119.08578	10.8
120.51482	1.1
121.09512	0.8
121.10161	8.1
123.08066	33.7
123.11668	2.3
125.09670	1.3
129.07043	1.0
131.08565	5.0
133.10109	11.0
135.08044	17.5
135.11678	3.5
137.09642	1.9
139.76962	0.9
143.08566	1.1
145.10063	3.9
147.07986	1.5
147.11737	5.0
149.09584	5.3
149.13231	3.4
155.01021	1.4
157.10089	1.7
159.11668	4.7
161.09599	2.9
161.13268	1.9
163.11124	1.4
163.14864	1.0
165.12704	1.6
167.14392	1.7
173.02109	11.5
173.13271	2.1
175.11159	0.9
175.14783	6.1
177.12727	6.3
177.16331	1.5
179.14304	48.2
191.14270	2.9
193.12294	1.5
193.15862	2.1
205.15898	6.5
207.70906	0.9
233.18968	2.8
247.20518	2.7
263.19986	3.5
275.20193	4.1
289.21579	5.6
289.24597	1.1
291.19507	2.5
293.21185	2.3
303.26730	7.2
313.25180	1.7
319.22723	1.0
331.26294	100.0
332.26575	4.2
334.97672	0.9
338.96869	1.0
339.19000	2.1
347.25845	1.1
349.23538	1.7
349.27338	13.9
361.27103	1.1
375.28729	1.8
387.28818	4.6
405.29990	69.4
406.30246	1.9
423.30969	3.2
485.26190	4.9
503.27664	43.1
504.27814	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3199
Annotation	Ile Asp Lys Lys
Peak:m/z	Relative Intensity
51.51711	0.3
54.55315	0.3
55.05500	0.7
57.03434	0.5
60.03963	0.4
67.05474	1.0
69.03432	0.8
69.07060	0.8
71.04947	0.4
73.02896	0.7
74.86169	0.4
79.05490	1.1
81.03408	0.5
81.07062	2.5
83.04966	0.7
83.08585	0.5
85.02886	1.2
91.05428	0.9
93.07042	1.9
95.04958	0.6
95.08617	1.8
97.02876	0.5
97.06513	0.5
105.07009	1.3
107.04969	0.6
107.08573	1.6
109.02877	0.4
109.06499	0.5
109.10137	1.4
111.08051	0.4
117.07050	0.6
119.08561	1.2
121.06521	0.4
121.10146	1.7
123.04366	0.4
123.08049	0.4
123.11668	0.7
125.09624	0.8
131.08571	0.7
133.04953	0.4
133.10095	1.1
135.08051	0.5
135.11678	0.7
137.05948	2.5
139.11153	0.6
143.10635	0.4
145.10103	0.9
147.11662	0.8
149.05899	0.5
149.09569	0.6
149.13200	0.5
151.03876	0.4
151.11163	0.4
153.05458	0.4
157.10144	0.4
159.11642	1.0
161.05952	0.5
161.13263	0.5
163.03871	1.8
163.07532	0.4
163.14647	0.4
165.05466	0.4
167.05531	0.3
167.07059	0.6
173.13214	1.2
174.13675	0.4
175.07469	0.6
191.14255	1.2
193.12204	0.4
201.16402	0.5
203.05214	0.9
209.15324	0.5
209.85448	0.3
225.29350	0.4
237.18428	0.4
287.23654	0.7
305.24591	0.5
323.12653	0.4
323.25552	1.2
341.26675	1.1
503.31711	100.0
504.32227	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	503.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.5
57.03429	0.6
61.02918	0.5
67.05493	1.0
69.03409	1.3
69.07083	0.5
69.82160	1.2
70.06575	0.5
71.04983	0.7
73.02879	0.6
77.04063	0.3
79.05479	0.8
81.03407	0.7
81.07050	1.9
82.28987	0.3
83.04970	1.2
83.08598	0.4
85.02899	1.8
85.06533	0.8
86.09688	0.4
87.04465	0.6
89.03941	0.5
91.05494	1.0
91.79113	0.3
93.07051	1.9
95.04955	1.1
95.08601	1.8
97.02876	0.9
97.06512	0.5
98.22669	0.4
99.04391	0.4
103.05435	0.4
105.07052	1.8
107.04919	0.7
107.08598	1.4
109.02863	0.4
109.06510	0.4
109.10151	1.1
115.03915	1.0
117.03371	0.9
119.08561	1.2
121.06522	0.7
121.10133	1.6
123.11679	0.5
127.03875	0.5
129.06998	0.5
131.08533	0.9
133.04979	0.9
133.10109	1.0
135.04413	1.4
135.11665	0.7
137.05949	2.6
137.09619	0.6
143.08543	0.3
145.02838	1.1
145.10143	0.8
147.04350	0.8
147.11682	0.8
149.09628	0.6
149.13255	0.4
157.10089	0.6
159.11687	0.4
161.06036	0.5
161.13211	0.4
163.03889	7.3
163.07582	0.5
167.07010	0.6
173.09589	0.4
173.13231	1.1
174.13608	0.9
175.03857	0.5
175.07541	0.9
181.36546	0.4
187.07542	0.5
191.14340	0.7
203.05199	0.7
231.07938	0.4
238.71725	0.4
246.99034	0.4
292.17526	0.4
297.85483	0.4
311.12680	0.5
323.12708	0.6
323.25574	0.6
341.26636	0.9
503.31833	100.0
504.32196	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	504.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.01868	3.3
55.05516	2.5
56.29563	0.4
57.03439	5.8
59.04997	1.2
61.02917	5.5
62.49289	0.4
69.03426	16.8
69.81586	0.5
71.01336	1.8
71.04983	0.8
72.01695	0.4
73.02915	27.4
81.03432	2.8
81.07050	1.0
85.02901	37.9
87.04482	2.2
91.03944	1.5
91.05500	1.1
95.04979	0.6
97.02890	31.0
98.22609	1.0
99.04441	1.8
101.41447	0.5
103.03957	1.4
105.07024	1.4
109.02892	3.5
109.10120	0.6
115.03927	12.2
117.07056	0.6
119.08580	6.5
120.29749	0.4
121.10143	1.3
123.04349	0.7
127.03909	11.6
131.08554	0.6
132.06535	0.5
133.04962	12.8
133.10124	100.0
134.10469	1.7
137.05968	1.1
145.04961	13.7
145.10072	0.7
150.07603	2.1
157.04912	0.7
158.10849	0.9
159.11494	0.8
163.03886	0.6
163.06033	6.1
165.05542	0.6
170.88503	0.4
173.13278	2.0
174.13643	1.7
175.07672	0.5
175.11229	1.4
175.14822	32.7
187.14839	2.4
191.14299	0.6
193.04936	1.0
199.05966	0.8
217.06998	0.8
223.06091	2.9
228.96037	0.6
229.12283	0.7
235.16978	0.6
241.07010	4.1
247.13371	3.2
259.08121	5.4
269.64435	0.4
271.16965	1.6
277.09192	1.5
289.18024	1.2
295.10220	1.6
307.18991	1.8
325.20273	0.5
487.39026	0.5
504.18045	0.5
504.25699	0.6
504.32367	5.3
505.17761	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01883	0.9
55.05505	5.1
57.03438	9.1
59.04993	2.4
60.04505	0.9
61.02929	2.6
67.05499	3.1
69.03431	32.6
69.07056	4.5
69.13700	1.3
69.14032	6.0
70.06600	1.4
71.05002	1.2
73.02914	7.3
79.05481	3.2
81.03413	2.8
81.07043	5.7
83.08620	1.2
85.02906	31.6
87.04472	20.8
91.05470	9.4
91.05974	0.8
93.07027	5.0
95.04959	1.7
95.08606	8.8
97.02895	34.9
97.06601	0.8
99.04479	2.1
103.03948	0.8
103.05461	1.4
105.07037	18.6
107.04957	1.1
107.08591	18.3
109.02886	2.0
109.06508	1.3
109.10144	3.4
109.16652	0.9
111.04427	1.0
115.03932	42.0
117.07043	4.3
119.08580	96.3
120.08917	1.8
121.10161	3.9
127.03928	7.4
131.08572	1.8
133.03943	1.5
133.04968	38.3
133.10129	100.0
134.10506	1.2
137.05989	2.2
139.03841	1.6
145.04945	10.4
145.10144	1.0
147.11705	3.9
150.07631	6.1
151.03928	1.2
153.05460	1.3
161.13281	2.8
163.03880	1.7
163.06050	2.4
165.05493	1.8
167.07079	1.0
169.04916	1.3
171.11684	1.4
173.09648	2.0
173.13287	2.1
175.11298	7.4
175.14824	66.0
176.15181	1.1
187.11211	1.7
187.14745	5.4
199.11201	1.4
199.14801	1.3
205.12213	0.8
217.15900	4.3
223.06039	2.4
229.12297	1.4
232.56303	0.9
235.16992	2.4
241.07117	2.8
259.08191	4.3
259.16721	1.3
265.14426	4.9
271.16937	2.2
277.09177	2.4
289.17938	2.2
295.10184	5.1
307.19162	2.3
316.33304	0.9
325.78613	1.0
425.74011	0.9
504.24951	1.7
504.32071	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	504.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08163	6.0
67.05489	1.6
70.69379	0.8
71.07361	3.3
76.31670	0.7
79.05508	1.4
81.07038	1.3
83.08626	1.0
86.09705	31.9
91.05481	1.2
93.07035	1.2
95.08607	1.2
98.98452	4.0
104.10728	1.6
107.08601	1.2
109.10149	1.1
119.08607	1.5
124.99996	19.3
131.08586	0.9
134.63025	0.8
184.07338	100.0
186.04822	0.8
233.15262	1.2
258.94827	0.8
289.99994	0.9
332.26398	1.2
373.27304	2.5
486.29456	1.0
500.09467	0.9
504.30478	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	20.0
57.03425	6.5
67.05508	53.5
68.76489	5.0
69.03423	19.5
69.07076	8.8
69.81486	4.7
70.52757	9.7
79.05492	87.2
79.06225	5.1
81.07056	46.4
83.04982	7.4
83.08619	11.8
85.02901	26.9
86.09688	14.9
91.05470	32.0
93.07053	100.0
95.04980	12.3
95.08601	38.5
97.02870	18.5
98.98444	14.4
105.07032	34.5
107.08607	28.5
109.10155	23.2
117.07011	15.7
119.08555	37.6
121.10149	56.4
123.11710	11.2
125.00013	6.4
127.03923	14.5
129.07031	8.6
131.08549	18.1
133.10104	32.5
134.19441	5.2
135.11699	31.8
143.08528	10.0
145.05000	12.2
145.10115	21.9
147.11691	22.7
149.09644	6.8
149.13290	5.8
157.10167	9.0
159.11684	16.6
161.09656	7.6
171.11705	8.7
173.13252	6.7
179.14331	7.1
184.07359	36.7
213.16316	12.6
215.17972	24.6
231.17447	21.1
233.19023	26.5
239.14014	5.1
249.18536	7.2
261.18515	8.4
275.20053	9.2
287.19946	11.1
313.21442	8.2
317.21030	10.5
332.26657	12.4
341.21002	18.1
359.22198	10.4
377.23184	12.0
395.24161	17.0
504.27362	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	504.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27679	3.6
55.05513	15.7
57.03441	5.0
57.07067	8.7
61.02929	6.3
67.05499	67.4
67.05823	7.3
69.03448	5.8
69.07061	12.1
69.41748	18.1
71.04987	5.9
72.02573	4.1
79.05497	61.7
81.07062	69.0
83.04987	6.5
83.08618	9.8
85.02888	7.0
85.06521	5.4
86.09694	9.9
91.03937	3.8
91.05468	33.8
93.07046	67.2
95.04971	5.7
95.08607	50.3
98.98444	4.8
99.08096	7.7
104.10760	11.8
105.07028	27.4
107.08589	47.4
107.09251	5.0
109.10148	31.7
117.07013	14.5
119.08613	22.9
121.10136	57.1
123.08035	4.9
123.11710	20.5
125.00072	7.6
131.08551	31.5
133.10123	29.2
135.11684	55.6
137.09653	5.2
145.09146	5.2
145.10115	25.8
147.11707	23.9
149.13245	35.8
159.11708	32.7
162.50983	4.7
163.11215	6.3
165.12869	4.1
173.13216	20.7
177.12794	4.5
184.07384	17.8
187.14830	7.6
205.19531	14.3
215.17934	88.5
216.18170	5.1
233.18987	100.0
307.22818	6.9
325.23755	26.2
332.26746	12.0
359.22040	6.5
368.22778	4.7
377.23306	5.3
433.67801	4.6
504.29636	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	504.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	2.1
60.08154	1.3
67.05504	1.8
69.07076	1.6
69.67773	0.9
79.05489	2.2
81.07050	2.5
83.04982	10.8
83.08636	1.6
86.09695	3.3
91.05470	2.4
93.07069	1.6
95.08607	3.4
98.98467	2.1
101.06003	1.6
104.10750	3.3
105.07032	3.0
107.08595	9.9
109.06522	1.2
109.10171	3.3
117.07021	1.3
119.08578	9.0
121.06539	1.7
121.10165	5.9
123.08092	4.1
125.00016	2.5
131.08588	2.6
133.10121	9.2
135.08051	1.4
135.11725	1.2
137.09692	1.1
145.10117	10.0
147.07956	1.0
147.11696	3.7
149.09636	2.2
157.10152	2.0
159.08083	1.0
159.11694	6.7
161.09647	2.8
161.13231	1.2
167.10660	1.9
172.12474	2.4
175.14848	3.4
177.16481	1.4
184.07327	9.6
187.14803	12.3
189.12692	1.0
203.14336	9.2
205.15854	1.8
215.14304	13.6
217.15939	3.3
218.14084	0.8
225.35278	1.0
233.15364	50.1
337.25204	1.7
343.26447	2.5
355.26318	5.4
373.27362	100.0
374.27527	2.5
455.31461	1.3
473.32593	2.3
504.29819	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	0.6
59.37785	0.4
69.03422	0.6
69.73257	1.4
71.02504	0.4
81.03390	0.8
84.90895	0.4
85.02898	0.8
89.03900	1.3
97.02924	0.6
98.23381	0.8
98.97581	1.4
107.04938	0.7
117.03378	1.8
135.04396	3.4
145.02826	3.3
163.03899	30.2
175.03683	4.5
177.00735	0.5
181.04964	1.0
185.04213	0.5
200.01027	0.4
293.76547	0.4
298.23639	0.4
299.42227	0.4
307.08212	0.8
307.12207	0.5
325.09198	0.9
333.07166	0.5
335.09406	0.6
343.11420	1.1
445.17383	1.6
505.16708	100.0
506.16928	2.9
510.64667	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35636	0.4
55.01879	1.1
55.05511	0.8
58.67178	0.4
67.05509	1.3
69.03442	1.2
69.15240	2.6
71.04989	5.0
79.05496	2.6
81.03420	0.8
81.07056	2.7
83.04977	1.0
83.08681	0.5
84.08163	0.5
85.02894	3.9
91.05462	1.5
93.07052	1.3
95.04960	5.3
95.08607	2.8
97.02888	6.6
99.04470	3.0
103.05484	0.6
105.07059	2.8
107.04945	2.2
107.08578	0.6
109.02867	1.5
109.06532	3.7
109.10127	0.8
111.04445	1.1
111.08080	12.5
119.04939	0.7
121.06518	0.6
123.04464	2.3
123.08071	2.4
125.06046	0.6
127.03911	80.9
128.04253	0.7
130.05054	0.6
131.04900	0.6
133.06496	2.6
135.04388	0.8
135.11694	0.6
137.05991	1.9
147.04427	0.7
147.07722	0.9
151.03896	3.2
151.07561	6.0
153.05487	1.2
161.05984	1.7
163.03905	0.8
169.08591	0.8
175.14928	0.5
177.05482	0.5
179.07016	12.1
179.10580	0.5
193.15860	1.0
197.08081	100.0
198.08414	2.0
297.25369	0.5
359.13242	2.1
373.18607	0.6
395.73727	0.5
400.14630	0.5
505.22324	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	505.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.1
52.88949	0.1
53.03952	0.3
54.52453	0.1
55.01874	0.2
55.05511	1.9
57.03440	0.2
57.07073	0.7
59.04979	0.2
63.02389	0.3
65.03926	0.5
66.24114	0.1
67.05502	4.1
69.03426	0.7
69.07065	1.1
69.49292	0.1
71.04988	1.1
71.08619	0.1
77.03944	0.3
79.05486	2.4
80.80234	0.1
81.07051	16.3
82.39944	0.1
83.04971	1.1
83.08615	0.5
85.02892	0.3
85.06541	0.9
87.04453	0.1
89.03910	4.1
89.06030	0.3
91.05466	0.7
93.03400	0.3
93.07040	2.4
95.04961	4.0
95.08598	3.8
97.02858	0.5
97.06532	0.2
97.10160	1.3
98.22641	0.3
99.04431	0.2
99.08089	0.3
101.07161	0.1
102.28471	0.1
103.05450	0.1
105.04520	0.3
105.07024	0.9
107.04952	1.5
107.08578	1.1
109.02851	0.1
109.06503	0.7
109.10143	1.2
111.04440	1.0
111.08067	0.9
111.11678	0.2
113.06028	0.3
115.03923	0.1
115.39888	0.1
117.03375	5.5
119.08585	0.3
121.02847	0.2
121.06483	0.1
121.10117	0.8
123.08067	0.4
123.11697	11.7
124.70297	0.1
125.09667	0.1
130.05093	0.1
131.04936	0.2
133.10130	1.2
135.04408	11.3
135.08000	0.2
135.11685	0.7
137.05983	1.3
137.09618	0.1
137.13228	0.1
139.03888	0.4
139.11180	0.3
141.12711	0.5
145.02840	9.3
145.10065	0.1
147.04370	0.1
147.11736	0.2
149.09653	0.1
149.13217	0.2
151.07558	0.2
151.11174	2.7
153.12756	0.2
161.05972	0.2
163.03891	100.0
164.04254	1.0
165.05490	0.2
165.09067	0.1
166.62816	0.1
167.06937	0.2
169.12231	3.3
173.13202	0.1
175.07561	0.2
175.14819	0.4
181.04961	0.4
181.08630	0.2
186.05443	0.1
187.13293	1.8
187.14850	0.2
193.08556	0.2
193.15878	0.3
195.17424	0.2
211.16891	0.7
213.18460	0.2
225.07629	0.5
265.08487	0.1
289.25272	0.1
307.26389	0.2
313.10034	0.1
319.08127	3.5
325.16449	8.5
326.16803	0.2
337.09106	0.3
461.30914	0.3
487.20471	0.2
505.20886	7.5
506.20599	0.2
507.19519	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	505.2645
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
53.34926	1.1
55.05497	2.5
57.03447	1.1
59.04985	2.2
59.25428	1.2
67.05501	9.4
69.03430	3.9
69.07069	9.6
69.22724	5.8
81.07054	11.2
83.04977	5.9
83.08601	4.4
85.02892	2.6
85.06548	1.8
85.73235	1.3
91.05492	1.2
93.07045	6.7
95.08604	20.8
97.02897	2.6
97.10183	1.9
98.22684	1.9
99.08073	1.8
105.07037	4.3
106.22889	1.0
107.08595	15.9
109.06538	6.3
109.10155	69.3
111.08051	2.5
119.08575	29.6
121.10143	8.0
123.08075	8.9
123.11696	4.7
133.10132	14.2
135.11694	67.5
135.82054	1.1
137.05960	1.7
137.09618	11.8
139.11163	1.7
147.33072	1.1
149.13266	4.2
151.11203	4.9
151.14861	9.4
153.12778	1.6
165.16373	2.3
175.14832	30.6
193.15884	51.2
211.16933	100.0
212.17261	2.5
246.86656	1.1
248.79753	1.3
260.19394	1.2
275.97482	1.2
279.51041	1.4
474.65305	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2644
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
55.01878	0.3
55.05503	4.8
57.03426	0.8
57.07065	1.4
59.04993	1.4
61.02938	0.5
65.03899	0.4
66.29221	0.3
67.05499	8.6
69.03424	4.6
69.07065	9.2
69.22295	0.7
69.22695	1.8
71.04984	2.1
71.08633	0.4
72.90186	0.3
73.02921	1.9
79.05489	1.6
81.03418	0.4
81.07056	10.7
83.04975	5.3
83.08603	4.1
85.02899	2.6
85.06525	2.3
87.08135	0.4
91.05473	1.9
92.99102	0.3
93.07040	6.2
95.04930	0.9
95.08603	21.6
97.02894	1.1
97.06512	0.6
97.10172	1.3
99.08086	2.2
105.07020	4.7
107.08590	14.4
109.02853	0.5
109.06505	6.0
109.10149	69.8
110.10461	1.0
111.08063	2.4
111.11735	0.3
113.09630	1.3
114.75990	0.4
117.07066	0.5
119.08572	25.3
121.10134	7.5
123.08059	8.7
123.11688	6.8
125.09574	0.9
127.11140	0.3
131.05090	0.4
131.08632	0.4
133.10120	16.3
135.11684	70.2
135.27690	0.3
136.12013	1.2
137.09607	10.8
138.10368	0.5
139.11166	1.7
145.04932	0.5
147.11662	0.9
149.13231	4.5
151.11165	5.9
151.12274	0.5
151.14810	9.0
153.12753	1.9
163.03955	0.8
165.16371	1.9
175.14812	32.4
193.15872	53.8
194.16164	0.9
211.16914	100.0
212.17252	2.0
214.37450	0.4
300.10989	0.4
333.84256	0.4
373.22171	3.3
476.53714	0.5
515.48059	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
56.96566	0.3
57.03431	0.7
60.96169	0.3
63.02388	0.5
67.05496	0.6
69.03423	1.4
69.61434	1.1
71.04991	0.7
75.04503	0.3
78.92458	0.3
79.05477	0.4
81.03410	3.0
83.04989	0.9
85.02910	1.7
89.03904	2.8
91.05478	0.5
95.04968	0.8
97.02878	0.7
98.97574	0.4
99.04465	0.5
105.61398	0.3
107.04942	1.6
107.95535	0.3
109.02891	1.5
111.04437	3.2
113.06008	0.7
117.03381	4.1
119.04955	0.7
123.04426	0.3
127.03902	1.2
129.05479	0.4
131.07054	1.1
133.02866	1.1
135.04416	10.5
136.07573	0.5
137.06021	0.4
145.02856	9.2
147.04378	2.6
149.08177	0.3
151.03877	1.3
161.05974	0.4
163.03900	100.0
164.04222	2.1
165.05565	0.5
167.09155	0.7
176.07333	0.3
177.05478	0.3
179.03310	1.6
181.04964	4.7
182.08141	1.1
183.06886	0.4
193.08711	0.4
273.07550	0.4
307.08105	3.1
309.09695	0.5
325.09152	7.8
326.09805	0.5
327.11746	0.3
336.09848	0.4
373.51727	0.3
464.19330	0.3
506.23083	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	506.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
63.02350	0.3
66.93085	0.3
69.03409	1.1
71.04977	0.4
77.96648	0.3
79.05485	0.5
81.03413	2.6
83.04970	0.6
85.02915	1.8
86.09703	0.4
89.03922	2.5
95.04958	0.7
97.02842	0.6
98.38416	0.4
99.04456	0.6
107.04963	1.5
109.02877	1.6
111.04448	2.8
116.79132	0.3
117.03370	5.1
119.04923	0.7
127.03902	0.6
131.04915	0.5
131.62035	0.3
132.10205	0.5
135.04419	10.6
145.01677	0.6
145.02847	8.9
147.04434	3.5
151.03867	0.4
163.03900	100.0
164.04211	1.5
165.05513	0.7
166.81769	0.3
175.84694	0.3
181.04953	4.2
307.08035	3.2
309.09787	0.6
325.09174	7.8
326.09155	0.5
327.10632	0.4
333.07962	0.6
334.08124	0.8
335.09244	0.4
336.09714	0.7
506.22958	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	506.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.9
55.05516	8.8
57.03439	13.6
59.04995	3.3
60.04524	1.9
61.02929	1.8
63.18008	1.3
67.05505	5.6
69.03428	47.0
69.07071	10.3
69.07386	1.5
70.02370	2.6
70.02698	2.1
70.06630	1.1
71.04976	2.7
73.02916	18.3
75.55920	1.4
79.05486	5.9
81.03410	4.1
81.07052	14.2
82.98003	1.3
83.08617	5.7
85.02904	39.8
85.06548	1.3
86.09713	4.0
87.04465	26.5
91.05501	4.6
93.07046	13.6
95.04953	2.9
95.08609	26.2
97.02889	48.4
97.10186	5.3
99.04448	3.1
99.08098	4.9
103.03941	1.6
105.07044	8.4
107.04997	1.8
107.08591	22.4
109.02895	2.5
109.10146	8.8
111.04402	1.7
113.09698	1.7
115.03933	51.1
119.08588	5.9
121.10147	36.5
123.11688	3.1
125.00031	1.6
127.03891	8.3
131.08540	3.0
133.04968	44.0
133.10156	6.4
135.11707	6.9
137.13248	2.8
143.08524	1.4
145.04953	8.9
145.10144	5.1
147.11674	3.2
149.13249	4.4
150.07646	7.1
156.09242	1.5
157.10098	3.9
159.11732	3.6
161.13248	5.6
163.06071	2.0
165.05481	1.6
169.10213	1.6
173.13266	4.2
175.14854	6.3
177.16382	100.0
184.07336	10.0
187.14954	1.7
193.05014	1.7
195.17390	9.2
196.61510	1.4
197.13329	1.6
199.14850	2.0
201.16440	4.7
203.14293	1.7
215.14317	1.6
219.17413	2.3
223.06136	2.2
225.28859	1.5
241.07082	2.7
243.17310	1.7
255.17514	1.9
259.08139	2.8
273.18524	4.7
277.09171	2.6
285.18573	4.0
291.19418	3.3
295.10474	2.4
303.19644	3.5
309.20905	1.8
321.20615	2.4
334.27380	15.0
352.28494	6.3
436.10263	1.5
506.28775	8.5
507.25494	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	506.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21553	0.5
53.03935	1.4
55.01872	4.5
55.02094	0.9
55.05505	5.0
57.03432	9.4
58.73182	0.6
59.04977	1.3
61.02927	7.0
63.01521	0.5
67.05499	3.2
69.03065	1.1
69.03429	20.9
69.07064	4.6
69.18655	3.9
71.01350	2.3
71.04989	2.4
73.02917	45.8
76.52001	0.6
79.05490	4.1
81.03420	5.3
81.07053	10.5
83.04979	1.2
83.08614	4.8
85.02905	45.6
86.17466	0.6
87.04458	2.5
88.75610	0.6
91.03942	1.4
91.05479	3.0
93.07033	9.6
95.04966	2.1
95.08602	24.0
97.02892	36.5
97.10194	3.3
99.04434	2.4
99.08079	4.5
103.03934	2.6
105.07001	3.8
107.04945	1.2
107.08592	20.4
109.02852	4.5
109.10146	5.7
111.04389	1.2
113.09621	1.2
115.03924	19.1
117.07037	1.0
119.08578	3.3
121.06539	1.0
121.10140	31.2
123.11702	1.3
125.09579	0.9
127.03915	16.5
131.08563	1.5
131.67325	0.7
133.04953	18.3
133.10141	3.5
135.11682	6.0
137.06052	0.8
137.13232	2.8
139.03850	0.8
143.08553	1.0
144.06584	0.8
145.04956	18.8
145.10103	2.6
147.11673	1.3
149.13226	2.5
150.07622	2.7
157.10077	1.4
159.11702	2.8
161.13249	1.9
162.07590	0.8
163.06023	8.4
163.14844	2.0
169.04890	0.9
171.11673	0.9
173.13271	2.1
175.11230	0.8
175.14783	2.6
177.16376	100.0
179.14209	0.9
181.04901	0.8
185.13303	0.8
187.14803	2.0
189.16403	1.5
195.17419	12.7
195.20264	0.6
197.13258	1.2
199.05943	1.3
199.14780	1.5
201.16359	4.2
203.14252	0.9
217.07069	1.4
217.15765	0.7
219.17516	1.3
223.06026	3.2
227.14395	1.2
231.17462	1.4
241.07098	4.7
243.17517	1.2
244.99995	0.6
255.17358	1.7
259.08136	6.3
261.18524	0.9
267.17377	0.8
273.18445	1.8
277.09131	1.7
285.18488	3.5
291.19534	2.0
295.10242	2.1
303.19507	2.1
309.20392	1.3
321.20523	3.2
334.27191	1.0
356.80347	0.7
357.22745	1.6
430.47729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.2
55.05514	6.1
57.03435	15.5
57.07078	1.7
59.04997	4.3
61.02917	2.7
66.82051	1.3
67.05507	7.1
69.03069	2.3
69.03431	41.2
69.07065	9.7
69.12695	6.6
71.04988	2.4
73.02914	13.8
79.05482	8.6
81.03420	4.7
81.07058	17.3
83.04961	1.7
83.08618	5.9
85.02904	35.6
86.09700	4.2
86.99960	1.3
87.04470	21.8
91.05479	5.3
93.07045	14.2
95.04966	5.2
95.08607	25.4
96.99335	1.4
97.02892	41.6
97.10156	4.0
97.63600	1.4
98.23503	2.8
99.04465	1.7
99.08105	5.1
102.71110	1.5
105.07011	7.3
107.04951	4.6
107.08595	23.7
109.02867	3.4
109.10146	8.1
111.04430	2.9
113.09643	2.9
115.03928	51.7
117.06960	1.9
119.08587	8.4
121.10146	33.0
123.04449	2.0
124.99931	2.1
127.03949	7.4
131.08586	2.3
133.04964	41.4
133.05923	2.5
133.10114	5.2
135.04498	1.5
135.11664	8.3
137.13226	1.9
145.04959	6.6
145.10120	3.6
147.11685	4.0
149.13293	4.9
150.07582	8.8
157.10112	1.6
159.11708	3.0
161.13313	3.0
163.06056	3.1
163.14908	2.1
165.05473	3.2
173.13217	2.6
175.14833	5.2
177.01697	1.9
177.05453	1.5
177.16388	100.0
179.35352	1.3
184.07327	11.5
184.08751	1.9
185.13136	1.4
187.14828	2.0
195.17427	8.3
199.14922	1.5
201.16399	4.6
219.17517	3.1
223.06136	1.8
229.48083	1.4
241.07085	3.6
242.14896	1.5
243.17548	1.9
259.08112	3.5
261.18698	2.4
268.97388	1.7
273.18561	3.3
277.09061	2.6
285.18475	3.3
291.19608	2.9
295.10245	2.4
303.19528	2.5
309.20621	2.3
321.20636	1.8
334.27383	13.5
337.14273	1.6
352.28513	3.6
506.29031	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	506.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.4
56.05035	0.6
57.03436	0.2
58.06633	0.4
59.07383	0.2
60.08160	6.9
67.05505	0.7
69.07066	0.3
69.68059	0.3
69.68420	0.2
70.06593	0.2
71.07367	3.6
71.07736	0.2
79.05483	0.3
79.39320	0.1
81.07051	0.7
83.08629	0.1
85.73199	0.1
86.09702	30.7
87.10009	0.2
91.05488	0.2
93.07038	0.2
94.14115	0.1
95.08595	0.5
98.98461	3.1
98.99094	0.2
104.10094	0.2
104.10738	3.0
105.06992	0.2
107.08553	0.2
109.10161	0.3
119.08538	0.2
121.18071	0.1
124.99997	21.3
142.58807	0.1
143.01001	0.2
147.27844	0.1
177.35370	0.1
184.07332	100.0
185.07684	0.8
204.28600	0.1
219.22964	0.1
258.11023	0.2
323.25848	0.2
344.90857	0.1
366.45694	0.1
370.23105	0.1
436.17285	0.1
488.31180	1.1
506.25555	0.2
506.32449	3.0
507.32596	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	506.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10664	0.3
51.37186	0.3
52.35061	0.4
55.05514	0.6
57.07058	0.8
67.05488	1.4
69.07053	1.4
70.05109	0.3
70.49246	0.3
71.04996	0.3
73.86511	0.3
79.05498	0.8
81.07047	1.9
83.08598	1.1
91.05466	1.3
93.07031	2.2
95.04948	0.6
95.08601	4.2
103.88772	0.4
105.07025	3.0
107.08588	7.9
109.06533	0.8
109.10128	1.3
110.20529	0.4
117.07014	0.7
119.08571	8.7
121.06478	1.4
121.10145	5.8
123.08056	2.5
123.11687	0.6
131.08546	2.0
133.06496	0.5
133.09175	0.6
133.10117	7.2
135.08031	1.6
135.11662	1.5
137.09621	1.9
139.50964	0.3
143.08582	0.6
145.10112	9.4
147.08034	1.5
147.11658	2.3
149.09642	2.0
149.13228	0.5
151.11151	0.5
157.10097	0.9
158.10909	1.1
159.07985	0.5
159.11691	5.6
161.09631	1.5
161.13245	1.1
163.11205	0.4
163.14877	0.4
165.09090	0.9
167.10689	0.9
171.11682	0.5
172.12445	1.6
173.13254	0.7
175.11194	1.0
175.14862	3.4
177.12727	0.6
177.16330	1.6
183.11584	0.4
185.13266	1.3
187.14807	11.5
189.12723	0.6
189.16374	1.3
197.13210	1.0
199.14798	0.5
201.12697	0.4
203.12535	0.6
203.14293	8.0
203.16229	0.4
205.15819	1.2
213.12773	0.4
215.14305	12.3
217.15871	2.5
229.15932	0.4
233.15350	53.1
234.13631	0.4
234.15701	1.3
235.16905	0.8
243.17294	0.7
325.25247	1.0
337.25262	1.8
343.26346	1.9
355.26334	6.1
373.27350	100.0
374.27847	3.6
430.64410	0.4
475.33994	1.3
506.38129	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	507.1714
Annotation	CHEBI:69792
Peak:m/z	Relative Intensity
53.03941	0.2
57.03423	0.3
68.38092	0.2
69.03419	1.1
70.12514	0.5
79.05485	0.7
81.03420	1.7
83.03297	0.2
85.02899	1.5
85.15047	0.2
89.03912	4.1
91.05465	0.4
95.04956	0.4
97.02883	0.6
99.04441	0.5
107.04930	1.6
109.02847	1.0
111.04466	0.3
111.08093	0.2
117.03375	6.3
119.04910	0.3
123.04430	0.3
126.18320	0.2
127.03900	0.3
129.05515	0.4
131.04922	0.3
133.02824	0.3
133.04962	0.2
133.96310	0.2
135.04413	11.9
137.05963	0.6
140.12775	0.2
145.02844	9.5
146.03209	0.3
147.04402	0.7
148.04825	0.3
149.05963	0.8
151.03922	0.8
156.84735	0.2
162.06885	0.2
163.03896	100.0
164.04224	1.9
165.07535	0.4
169.67931	0.2
181.04930	3.1
207.13721	0.2
249.75923	0.2
262.87494	0.2
271.09766	0.2
307.08054	2.1
325.09149	5.2
327.10699	0.6
345.11658	0.5
507.19510	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.4
57.03441	4.4
57.07074	15.9
67.05501	3.7
69.07068	3.9
69.24230	1.7
71.04953	0.3
71.08627	10.6
81.07062	4.0
83.08609	3.2
85.10176	5.1
89.05999	1.0
93.07036	0.4
93.75009	0.3
95.08603	6.3
97.10162	1.6
103.07599	0.7
109.10166	2.4
115.03656	1.4
117.09057	0.3
120.96655	0.6
123.11653	1.2
137.13174	0.5
156.97473	0.4
176.99239	3.0
195.00291	100.0
196.00696	0.4
213.00108	0.6
239.23615	0.5
253.86636	0.3
257.24750	0.9
269.04016	1.0
313.27341	25.5
314.27924	0.4
415.22403	0.5
421.17014	0.3
474.63837	0.4
489.25882	0.9
507.26901	18.6
508.27136	0.5
525.76672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2722
Annotation	Amoritin
Peak:m/z	Relative Intensity
50.57891	0.8
53.03946	0.8
55.05519	7.8
57.03434	7.8
57.07064	0.9
65.03948	1.5
67.05508	33.0
69.07065	6.3
69.32185	3.8
77.03917	1.0
79.05497	16.0
79.97337	0.8
81.07057	27.4
83.08619	1.7
86.09688	1.6
91.05481	7.4
93.07046	17.0
95.04966	2.5
95.08608	20.5
97.06525	2.0
97.10159	1.1
98.98468	19.7
100.95611	0.7
100.96996	0.9
105.04511	0.8
105.07019	3.9
107.08605	9.8
109.10151	8.9
111.08096	1.0
112.08538	0.8
117.07027	1.1
119.08605	5.3
121.10137	6.1
123.11710	2.6
125.00024	1.5
131.08545	3.7
133.10141	2.6
135.11697	3.0
137.09590	0.9
145.10127	2.6
147.11658	1.8
149.09660	0.7
149.13243	1.1
155.01018	2.3
159.11752	1.0
161.13237	1.4
173.02116	3.5
173.13284	1.1
184.07309	4.0
188.34782	0.9
195.41754	0.8
196.92108	0.7
243.21198	1.0
247.05894	1.1
261.22226	2.9
272.30869	0.8
317.24814	1.2
335.25806	100.0
336.26208	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	507.2803
Annotation	Foliasalacioside I
Peak:m/z	Relative Intensity
52.24944	0.8
53.03938	1.1
55.01869	3.6
55.05512	13.5
57.03438	7.6
57.07075	18.5
59.05002	1.7
60.27036	0.8
61.02915	3.0
67.05503	2.3
69.03425	14.9
69.07066	100.0
70.76745	1.0
71.04948	1.1
73.02917	12.4
73.06548	0.8
73.56932	0.8
75.62990	0.8
79.05489	2.0
79.89731	0.8
81.03404	1.3
81.07062	9.5
83.04976	2.4
83.08626	5.9
85.02904	24.6
85.06560	1.7
87.04486	2.0
93.07043	5.1
95.08605	15.7
96.57812	0.7
97.02890	22.0
97.06535	8.7
97.10170	14.0
99.04500	1.2
99.11738	8.2
103.03973	1.3
107.08583	9.8
109.02895	1.6
109.10152	3.0
111.08088	8.9
111.11717	32.6
111.12486	1.8
115.03934	6.5
121.10142	18.9
123.11716	1.6
125.09636	8.6
127.03920	6.0
133.04967	12.2
135.11691	7.8
137.13237	9.5
139.11172	40.5
145.04929	8.4
149.13283	1.5
151.14734	1.2
155.14342	1.2
157.12157	0.9
163.05971	4.9
177.16382	36.0
195.17441	74.6
196.17812	1.3
213.18484	86.7
214.18825	1.5
217.13469	0.8
218.02156	0.7
223.05978	1.8
228.22591	0.8
233.37622	0.7
241.07069	2.5
259.08115	2.6
295.10083	1.0
392.16388	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2805
Annotation	Foliasalacioside I
Peak:m/z	Relative Intensity
53.03946	1.1
54.40091	0.8
55.01854	4.3
55.05509	7.5
57.03437	16.9
58.99591	3.5
59.04993	4.8
61.02919	6.1
63.38828	0.7
67.05514	4.4
69.03429	81.0
69.07066	15.8
69.20267	1.6
69.20660	5.0
70.03767	2.7
71.01359	1.3
71.05004	4.8
71.08649	1.0
73.02931	4.0
74.70654	0.9
75.04510	0.9
76.46114	0.9
79.05492	3.9
81.03407	7.1
81.07059	11.2
82.03747	1.0
83.04982	4.1
83.08621	3.9
85.02902	100.0
85.06538	10.5
86.03239	11.7
86.99042	5.2
87.04465	43.2
91.03954	2.9
91.05494	3.4
91.18322	1.1
93.07050	6.0
94.52650	0.9
95.04985	1.1
95.08604	18.8
97.02892	58.5
97.06536	3.8
97.10169	4.9
98.03218	4.7
99.04469	4.4
99.08091	13.4
103.05472	2.7
105.00089	15.0
105.07029	6.1
106.07341	2.2
107.04987	1.3
107.08595	10.2
109.02864	7.6
109.06514	1.3
109.10163	7.4
110.03191	1.5
111.04421	1.4
111.08116	1.6
111.11727	3.7
113.09634	5.0
113.73873	0.8
115.03930	51.2
115.37807	0.8
116.15664	0.9
117.03717	0.9
119.08587	1.8
121.10138	16.0
123.04433	1.3
123.08121	1.4
123.11692	4.3
124.05193	6.3
125.05524	1.1
125.09646	3.6
127.03910	17.7
127.11204	1.3
128.04294	4.0
131.04939	6.4
133.03943	2.2
133.04962	45.9
133.06406	4.3
134.06851	1.4
135.11681	9.8
137.05977	13.5
137.09619	1.3
137.13258	9.0
138.06322	3.6
139.03906	0.8
139.11180	15.8
145.03175	2.6
145.04958	29.6
145.07581	2.6
145.10080	1.3
146.05307	8.7
147.04402	2.3
147.11740	1.1
149.02660	1.5
149.09682	0.9
149.13237	2.5
151.03946	1.4
151.14842	2.3
153.12750	5.9
159.11676	0.9
161.06004	1.7
163.04121	5.7
163.06029	10.1
163.07503	2.3
164.06398	2.5
165.05458	1.1
165.09094	17.9
166.09468	13.9
167.07037	0.9
175.14832	1.3
177.16377	48.4
178.16809	1.1
191.03806	4.5
191.07024	1.1
195.17441	26.4
205.08844	1.4
207.13812	2.0
213.18481	60.6
219.17345	1.3
223.06078	1.3
237.18517	1.4
241.06937	1.3
255.19594	1.0
259.08136	1.2
263.65018	1.0
273.18527	1.0
277.08853	0.8
281.08017	0.9
291.19366	1.3
309.20718	1.1
327.21960	1.2
329.14172	15.1
345.22733	2.5
375.23798	4.4
507.23825	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	507.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	26.3
57.07079	11.8
67.05510	36.3
69.03441	10.6
69.07063	65.9
71.04995	6.8
71.08625	7.6
79.05494	20.4
81.03406	9.0
81.07053	100.0
82.07404	4.0
83.04974	6.6
83.08620	30.6
83.26517	3.1
83.62939	3.3
84.08150	3.7
85.02908	9.0
85.06539	13.3
85.32266	3.6
86.09715	9.1
88.22968	3.7
91.05474	24.0
93.07056	35.8
95.04954	13.3
95.08604	83.3
97.06547	18.1
97.10175	14.2
97.51072	3.8
99.08116	5.8
100.11262	18.7
105.07001	19.4
107.04970	4.2
107.08591	35.9
109.02891	15.4
109.06545	8.2
109.10156	69.7
111.08102	5.2
111.11720	13.2
114.09155	39.8
117.07021	6.9
119.04937	11.1
119.08578	14.5
120.08111	9.6
121.10123	24.1
123.11706	78.8
125.09692	4.8
126.09169	5.8
131.04916	4.3
131.08583	5.4
133.10153	15.6
135.08005	5.7
135.11691	24.1
136.93959	4.3
137.05980	10.0
137.09622	9.0
137.13232	25.5
139.11218	4.0
145.06421	4.9
146.09659	6.2
147.04391	63.0
147.11739	13.3
149.09698	4.9
149.13281	32.5
151.03894	9.0
151.09935	7.4
151.14803	5.7
153.12766	13.0
153.77477	4.6
155.14278	13.2
159.11737	4.7
161.13234	8.6
163.03949	5.6
163.07594	7.3
163.14804	28.4
164.10690	7.8
165.05518	8.7
165.09120	32.8
165.12808	5.9
165.16313	5.6
167.07097	6.1
167.14352	4.8
173.13295	11.0
175.14810	6.7
177.05406	4.5
177.16380	19.8
181.05006	5.8
182.15388	23.5
189.16408	6.7
190.16876	4.0
191.06929	5.3
199.18053	4.2
203.17897	7.5
205.12204	4.2
210.14935	7.8
217.19559	11.7
261.25870	9.4
273.25763	34.7
279.26834	10.9
291.26816	57.2
309.21771	8.4
309.27762	19.0
316.01178	4.1
333.07730	4.6
335.09415	10.1
336.23315	5.1
354.24112	21.2
355.15662	5.2
507.22037	40.5
507.32452	8.8
507.39188	34.1
508.24207	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	508.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77098	1.3
55.05502	5.3
56.05835	1.4
57.03423	4.1
57.07087	2.3
58.99588	16.8
59.04993	1.7
67.05503	7.6
68.05831	3.1
69.03429	77.3
69.07078	7.1
70.03756	3.8
70.07399	2.4
73.01138	2.2
73.02912	1.8
76.24848	1.3
79.05493	2.8
81.03452	1.5
81.07050	8.4
82.07389	2.9
83.04969	4.6
83.08614	4.6
83.74477	1.4
85.02906	14.5
85.06557	5.1
86.03236	1.7
86.99054	33.8
87.04469	22.8
88.91650	1.5
91.05492	2.4
93.07058	3.5
94.07351	1.5
95.05000	1.4
95.08596	17.5
96.08925	6.4
97.02898	10.1
97.10160	2.1
99.02679	6.2
99.08080	1.7
103.02127	2.0
105.00085	76.6
105.07014	3.5
106.15639	1.4
107.08604	9.4
108.08918	3.3
109.06552	1.7
109.09426	1.3
109.10155	39.0
110.10488	24.0
111.08064	3.2
111.10824	4.0
113.09634	1.5
114.33073	1.5
115.03925	6.1
116.04276	1.5
117.03695	14.0
117.75512	1.3
119.08585	15.2
120.08917	11.7
121.10139	10.6
122.10470	3.5
123.08060	3.9
123.11691	4.1
124.08432	2.1
124.12036	2.3
126.08876	1.6
127.03880	2.6
133.04984	8.6
133.10132	5.7
134.10455	4.7
135.10796	1.2
135.11690	31.6
136.07549	1.5
136.12033	29.8
136.13008	2.6
137.05991	2.4
137.09616	6.5
137.12389	6.1
138.09987	4.7
139.11177	54.7
140.11520	2.3
145.03175	12.4
145.04936	2.8
149.02650	8.8
150.13568	2.4
151.07478	1.5
151.11105	2.1
151.14845	3.9
152.11565	2.4
152.15141	2.8
153.12752	2.3
163.04233	22.5
165.05493	5.0
165.09131	2.0
165.16293	1.3
175.14836	12.3
176.03467	2.2
176.15172	17.2
177.15359	2.1
177.16495	2.3
178.16805	2.6
179.17917	2.0
191.03725	22.5
193.15897	17.5
194.16212	22.5
195.16353	6.8
196.16643	3.1
207.13771	9.4
211.16928	30.3
212.15363	2.8
212.17270	39.9
213.17415	14.9
214.17847	5.7
239.11034	4.9
273.08051	1.8
283.13538	6.8
311.13034	2.8
329.14151	100.0
330.14450	2.7
461.95520	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
55.05514	4.7
57.03436	2.1
58.99585	31.9
59.05042	1.7
61.47778	1.6
67.05501	8.1
69.03429	36.7
69.07076	4.6
69.23016	8.9
71.04998	4.2
76.26623	1.4
79.05478	8.3
81.07053	25.1
82.07372	1.6
83.04993	5.8
83.08603	2.2
85.02899	7.9
85.06545	13.9
86.99055	46.0
87.04459	3.3
91.05496	4.5
93.05772	1.5
93.07041	11.8
95.04983	4.3
95.08613	9.4
96.08925	2.0
97.02892	4.7
97.06561	1.6
97.10156	1.8
98.23430	3.5
99.04453	1.9
103.05474	2.1
105.00085	100.0
105.07034	16.0
105.57291	1.6
106.06547	4.2
107.04958	5.2
107.07333	8.1
107.08550	8.1
108.08129	6.5
109.02893	4.7
109.06512	10.5
109.10149	20.1
111.08072	6.9
115.03905	2.4
117.03725	2.4
119.04893	1.6
119.08571	12.4
120.08104	3.0
121.06499	3.0
121.10149	51.3
121.73653	1.4
122.09731	2.2
123.04432	1.7
123.08061	7.1
123.11711	4.7
127.03924	23.9
129.03699	4.9
129.07002	2.0
131.04950	6.8
131.08580	2.2
133.06551	1.9
133.10126	8.0
134.09631	8.8
135.04411	5.5
135.08144	1.9
135.10434	24.7
135.11540	2.2
136.11214	4.4
137.05981	14.7
137.09613	28.0
139.11188	4.1
141.05415	2.6
145.03026	3.2
145.05006	1.8
147.04428	4.7
147.08049	3.6
147.11685	3.5
149.02657	7.7
149.09644	3.6
149.13266	1.8
151.03854	1.8
151.07541	3.1
159.08087	2.5
161.13234	11.1
163.03932	20.5
163.11168	10.6
164.04251	7.4
164.07161	1.7
165.05508	6.9
165.09106	14.4
165.12822	1.9
171.11714	4.2
174.10410	4.4
177.05482	2.5
179.07016	5.3
179.10693	1.6
179.14301	11.2
181.12152	1.9
184.13315	2.4
189.12743	38.7
197.08080	34.8
197.15257	1.9
207.13802	99.8
208.14175	2.0
239.11038	3.2
248.01279	1.4
251.52145	1.4
283.13513	2.7
292.22742	16.0
293.12103	1.7
294.24268	6.4
310.23770	24.1
311.13101	77.7
312.13458	2.3
312.25137	1.8
329.14160	92.0
336.25433	3.1
354.26401	16.4
464.24149	12.8
508.15536	2.0
508.26764	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16702	1.2
55.05508	3.9
57.03433	2.5
58.99587	35.4
66.76544	1.8
67.05504	6.8
69.03426	37.8
69.07062	3.5
71.05000	2.0
71.58270	1.5
76.80470	1.3
79.05490	5.1
81.03417	2.2
81.07054	17.1
82.09025	1.3
83.04961	5.3
84.07310	1.5
85.01116	1.5
85.02917	7.2
85.06537	8.9
86.99052	48.2
87.04459	4.7
91.05467	5.5
93.07055	5.8
95.04966	4.7
95.08600	7.0
97.02890	4.3
97.06512	2.5
99.04430	2.4
99.08052	2.5
103.05474	2.5
104.62569	1.7
105.00085	100.0
105.07021	11.2
107.04939	2.7
107.07326	1.5
107.08591	4.5
109.02880	3.6
109.06491	11.1
109.10153	20.7
111.08092	7.8
117.03688	4.4
117.06921	1.6
119.08580	14.1
121.06490	2.9
121.10142	49.7
123.04445	1.6
123.08051	6.0
123.11669	2.7
127.03915	32.6
129.03716	3.2
130.04482	1.6
131.04918	7.9
133.04907	1.4
133.06493	2.3
133.10129	6.3
135.04382	2.1
135.08014	2.4
135.10417	5.3
135.11566	2.3
137.05957	19.5
137.09605	27.1
139.11177	3.6
145.03107	2.3
145.04941	1.9
147.04405	2.5
147.08054	5.1
147.11662	3.4
149.02670	7.5
149.09695	3.1
149.13246	2.1
151.03844	2.0
151.07515	4.5
159.07864	1.4
161.06000	1.5
161.09622	2.4
161.13281	9.8
163.03964	10.1
163.11168	10.4
164.04276	2.4
165.05531	3.0
165.09123	14.0
166.09363	1.9
171.11681	3.6
174.10410	5.1
179.07018	5.2
179.14360	8.3
181.08583	1.5
189.12740	43.8
191.03708	1.7
197.08086	43.8
207.13800	92.9
208.14226	2.2
209.08005	1.5
211.09691	2.7
219.06772	1.9
239.11008	2.8
266.69681	1.7
267.20538	1.5
283.13632	3.6
292.22614	3.5
310.24014	1.8
311.13092	77.2
329.14154	87.0
330.14362	2.3
508.26117	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	508.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.9
59.04987	0.7
61.02919	1.4
65.71433	0.6
67.05481	0.8
69.03417	4.0
69.07030	0.5
71.04986	0.6
71.44501	0.6
73.02914	1.5
79.05481	1.4
81.03406	1.5
81.07047	0.9
84.04452	0.5
85.02904	16.7
91.03942	0.9
91.05479	1.9
91.35633	0.5
93.07037	3.4
95.04948	1.5
97.02879	8.1
99.04434	0.9
103.05445	0.6
105.07016	2.5
107.04900	0.9
107.08593	10.5
109.02847	2.8
109.06515	1.3
109.10133	1.3
119.04920	0.8
119.08582	1.5
121.06509	2.5
123.04482	0.8
124.03944	0.6
127.03915	3.5
131.08583	0.5
133.10127	10.3
135.04469	0.5
135.06270	0.6
135.08022	0.8
135.11693	14.2
137.05984	1.6
137.09625	1.4
145.04932	2.1
147.04427	1.1
147.25610	0.5
149.05983	0.7
151.03922	0.8
151.11153	1.2
152.07062	1.2
161.05957	1.0
161.09633	8.5
163.03896	3.7
165.05461	1.0
167.07108	0.7
177.05544	0.6
179.07133	1.2
179.10663	27.5
181.04951	2.0
183.06400	0.6
197.11720	100.0
198.12108	1.2
209.08064	0.8
271.78647	0.6
276.12418	0.6
322.61288	0.7
359.17001	31.2
360.17111	0.7
395.31787	0.6
431.05664	0.6
508.25494	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	508.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.9
53.45535	1.2
54.75707	1.2
55.01865	2.4
55.05512	15.0
57.03439	4.1
67.05502	15.7
69.03433	1.3
69.07066	10.6
71.08632	15.7
79.05490	12.2
81.03421	5.0
81.07054	12.6
83.04976	3.5
83.08609	7.0
85.02928	1.4
85.06516	1.4
91.05478	7.1
93.07031	8.7
95.04961	3.3
95.08587	5.9
97.06559	1.7
97.10155	7.9
98.98478	2.7
99.08109	10.1
105.07028	6.4
107.04958	2.3
107.08593	10.5
108.93294	1.2
109.06535	2.1
109.10156	5.1
111.08103	1.2
117.07026	2.0
119.08578	5.3
120.08125	1.8
121.06522	2.7
121.10151	5.0
123.08076	1.7
123.11672	1.5
125.09613	5.9
131.08563	2.5
133.10146	3.7
135.08063	2.3
135.11681	1.5
137.09605	1.9
143.08539	1.4
145.10159	2.1
147.07979	1.6
147.11760	2.1
149.09630	1.9
149.13295	1.4
151.11131	2.2
159.11674	1.5
161.09621	1.8
161.13446	1.4
167.10724	3.0
173.13287	2.5
175.14801	2.1
177.12701	2.5
185.13266	2.6
189.11192	1.8
201.12781	2.1
203.14317	1.4
213.12784	2.8
216.06305	1.4
227.12840	1.3
231.13820	6.3
233.15273	1.4
249.14862	4.1
275.20044	6.1
293.21097	53.4
336.25211	3.7
349.23639	3.6
353.24664	4.3
367.24796	100.0
371.25751	8.7
389.26910	14.1
429.20285	3.3
446.62115	1.4
490.25296	2.1
508.28534	1.2
509.27197	1.6
532.74957	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.6
55.05508	19.5
56.82789	1.8
57.03434	4.0
57.07085	3.8
58.63813	2.0
59.61245	1.8
65.03944	2.4
67.05504	32.7
69.03411	7.7
69.07063	18.9
70.69872	3.4
71.05007	3.8
75.71168	1.9
79.05492	29.9
81.03400	6.2
81.07056	49.9
82.54151	1.8
83.04987	3.5
83.08619	17.2
85.02902	14.7
85.06569	2.2
91.05480	29.3
93.07053	32.6
95.04959	8.3
95.08606	25.0
97.02898	5.0
97.06525	6.7
97.10169	12.1
105.07032	21.8
107.04959	4.8
107.08596	29.1
109.02869	3.1
109.06522	5.6
109.10162	13.3
111.08072	5.0
117.07025	7.1
119.04940	4.2
119.08587	17.9
121.06506	3.4
121.10158	15.1
123.08065	4.1
123.11695	6.2
125.09589	9.1
127.03913	2.7
131.08585	10.4
133.10130	20.7
135.11722	11.6
137.09608	4.8
137.13242	3.3
139.11133	2.2
141.07127	2.2
145.04955	3.9
145.10112	8.7
147.04385	9.1
147.11685	12.2
148.04692	5.3
149.09627	8.2
149.13281	18.9
151.11128	3.3
159.11736	11.9
161.13266	4.9
163.03894	2.4
163.11206	4.8
165.09108	7.0
165.12743	2.6
167.14313	3.0
173.11655	2.3
173.13261	3.3
177.12737	4.0
179.08556	3.6
187.11237	2.5
189.11200	7.9
192.74951	2.2
195.13811	36.5
207.13661	3.0
213.14854	35.6
235.16920	3.9
237.14769	2.8
239.17938	5.3
249.14861	2.1
257.18961	9.8
275.20059	100.0
277.21552	8.6
292.27206	2.4
293.21085	34.4
293.28180	2.2
508.15869	3.5
508.26450	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	508.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.4
55.68032	0.6
56.05026	1.3
57.03424	1.3
58.06583	1.1
60.08166	15.2
63.94822	0.6
66.08141	0.6
67.05514	4.0
69.07043	2.6
70.07376	0.7
71.07366	5.8
71.42828	0.6
79.05473	2.3
81.07048	3.0
82.07341	0.6
83.08616	1.2
86.09708	43.3
91.05470	1.7
93.07027	2.6
94.07302	0.9
95.08597	2.6
98.98479	6.1
104.10745	81.6
105.06992	1.1
107.08585	1.8
121.10160	1.3
125.00005	28.0
135.11726	1.0
142.65407	0.7
155.01053	0.6
157.49342	0.7
163.01544	0.8
173.02109	0.6
180.90488	0.6
184.07341	100.0
238.12610	0.7
299.55038	0.7
325.27393	1.2
335.25577	0.6
336.26157	3.2
337.27426	1.0
490.32681	7.0
508.34009	30.7
509.34360	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71222	0.1
55.05502	0.5
56.05032	0.5
57.03429	0.4
57.07076	0.2
58.03751	0.1
58.06638	0.4
58.45541	0.1
59.07402	0.1
60.08162	6.2
67.05515	0.9
68.05817	0.2
69.07056	0.7
71.07371	2.9
71.08651	0.1
71.45679	0.1
72.08200	0.1
79.05486	0.4
81.07070	0.8
82.04026	0.1
83.08601	0.3
86.09705	28.6
88.19833	0.1
91.05492	0.1
93.07017	0.7
94.07414	0.1
95.08593	0.7
96.08961	0.2
97.10152	0.2
98.98463	2.7
103.17149	0.1
104.10739	2.8
107.08581	0.4
109.10182	0.2
121.10136	0.3
125.00000	19.7
172.11780	0.1
184.07335	100.0
185.07658	0.4
185.66423	0.1
258.11096	0.1
295.92572	0.2
325.27252	0.2
335.25754	0.3
336.26123	2.3
389.49069	0.1
490.33072	1.2
508.33994	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.2
55.05260	3.4
55.05508	57.7
55.76507	2.7
57.03427	7.7
57.07077	38.2
59.20115	2.8
60.08168	3.6
67.05508	28.6
69.03429	27.8
69.07068	89.0
71.01378	2.7
71.08630	19.8
79.05494	12.8
81.03422	8.9
81.07051	31.0
83.04982	3.3
83.08125	3.7
83.08618	77.2
85.02901	100.0
85.10170	8.3
86.09692	11.9
91.05473	8.1
93.07046	15.4
95.04960	7.7
95.08611	18.9
97.02891	58.4
97.06527	3.7
97.10164	91.4
98.98444	5.6
99.04453	10.2
104.10735	25.2
105.07003	7.4
107.04890	2.9
107.08576	8.1
109.02878	10.8
109.06501	4.4
109.10145	9.2
111.04533	2.8
111.08080	2.7
111.11726	37.0
117.07021	4.7
119.08562	8.7
121.10109	14.1
123.11745	3.2
125.00002	7.2
125.13293	16.5
127.03920	35.2
133.06508	2.8
133.10104	4.8
135.08073	3.9
135.11679	9.5
137.13252	4.0
139.14793	6.3
145.04961	50.0
145.10063	3.0
147.11644	3.4
149.13271	5.0
150.39978	2.7
153.16452	3.0
161.36923	2.5
163.41095	2.8
180.06375	2.5
184.07323	19.9
195.00319	9.9
197.00792	4.6
217.19493	5.4
219.21098	6.4
235.20581	11.0
237.22133	42.2
275.20163	3.0
305.24695	11.3
307.08456	2.9
317.24625	4.4
321.24240	5.6
333.24130	14.7
337.27457	33.2
341.66617	2.8
345.24139	7.4
363.25464	17.3
381.26416	34.0
399.27408	87.1
508.18784	3.9
508.33875	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	508.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65082	1.3
52.94653	1.4
55.05506	4.1
57.03416	1.3
57.07058	3.0
59.04990	3.2
67.05499	5.0
69.07074	2.0
70.06433	1.4
71.41213	1.5
79.05475	4.7
81.07053	10.2
83.04966	2.2
83.08603	2.9
85.06533	2.6
91.05485	2.1
93.07025	8.9
95.04936	1.8
95.08596	13.1
101.06084	1.5
105.07016	6.5
107.08597	25.1
109.06508	2.6
109.10151	6.1
117.06998	1.9
119.08575	19.4
121.06511	2.3
121.10145	22.0
123.08074	3.8
123.11687	9.0
125.09653	2.0
131.08542	5.2
133.10144	14.7
135.08032	2.8
135.11650	4.5
137.09596	5.1
143.08542	1.7
144.09351	1.5
145.10120	15.5
147.08049	3.8
147.11682	5.8
149.09598	8.7
155.08528	1.8
157.10101	4.2
158.10910	6.1
159.07991	2.6
159.11732	9.5
161.09570	3.8
161.13290	4.8
163.11176	2.2
165.09111	1.9
167.10738	7.6
170.10883	1.9
171.11610	4.8
173.13251	43.1
175.11143	2.7
175.14841	11.7
177.12772	2.5
177.16309	3.3
181.12218	1.7
185.13258	6.2
187.11255	1.8
187.14778	13.1
191.14285	3.2
195.11546	1.6
199.11201	3.5
201.12717	7.1
203.14314	15.2
205.15868	18.0
213.12746	3.3
215.14278	15.4
217.15961	3.2
221.15358	2.4
225.16217	2.2
229.15884	1.8
231.13840	5.4
233.15358	52.5
241.15854	2.2
249.14830	42.5
271.20551	6.0
293.22504	2.2
295.20575	2.4
309.22110	4.9
327.23163	10.5
335.23807	2.6
341.24829	7.1
343.26303	2.8
353.24716	7.6
355.26190	3.8
371.25854	14.9
373.27377	85.1
374.27463	2.1
389.26846	100.0
447.78870	1.9
508.24899	2.8
509.30688	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	508.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.4
55.05500	12.2
57.03428	5.8
57.07071	16.9
57.71532	1.7
58.07401	2.4
67.05499	21.4
69.07063	19.4
71.04990	3.8
71.08627	11.2
72.08961	2.6
79.05479	17.0
81.07047	22.4
82.07410	3.7
83.04983	3.0
83.08604	7.9
85.02900	9.4
85.06544	1.8
85.10191	3.5
91.05476	13.4
93.07043	16.3
95.05009	2.5
95.08598	13.2
96.08945	2.0
97.02909	4.0
97.06548	2.4
97.10169	6.3
102.22055	1.7
105.07030	15.0
107.04911	1.8
107.08593	14.3
109.06493	2.0
109.10155	15.3
111.08090	1.7
117.07058	2.3
119.08558	4.3
121.10119	8.0
123.11753	2.4
129.11055	1.6
131.08543	4.0
133.10135	16.9
135.11649	8.3
137.09534	1.7
138.51118	1.7
141.81897	1.8
145.10130	2.5
147.11641	3.2
149.13258	2.1
151.11179	10.8
159.11716	3.5
169.10144	2.2
169.12244	4.8
170.05736	2.5
176.99248	3.1
184.07346	4.6
195.00288	100.0
196.00644	19.9
197.00749	7.5
199.15144	1.6
207.14139	1.8
277.21716	9.9
311.26031	2.5
313.27469	2.8
314.27707	17.6
333.07199	1.6
337.27206	2.3
339.28824	2.2
343.22760	2.3
343.26736	2.2
345.24280	1.8
421.77158	1.7
437.30759	4.1
455.31458	6.2
462.12549	2.0
473.32410	10.5
491.33783	2.9
508.26752	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	509.2726
Annotation	Asn Thr Phe Lys
Peak:m/z	Relative Intensity
65.81267	0.4
66.92767	0.4
69.26817	2.1
70.37428	0.4
82.98286	0.5
115.03720	0.9
131.61140	0.5
135.20256	0.4
149.94106	0.4
156.96384	0.8
172.94287	0.4
180.23128	0.4
182.50507	0.5
204.58818	0.4
256.28607	0.5
265.87912	0.4
266.11340	0.5
269.11102	0.5
369.07581	0.6
449.15485	0.8
509.27225	100.0
510.27292	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
65.64385	0.6
69.67352	2.1
70.58219	0.6
81.07018	0.6
98.22751	1.2
115.53681	0.5
136.60107	0.5
203.05339	1.0
368.36749	0.7
449.15115	2.6
455.91888	0.6
467.16147	0.6
509.27155	100.0
510.27411	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	509.2722
Annotation	Asn Thr Phe Lys
Peak:m/z	Relative Intensity
50.93956	0.5
54.59643	0.6
58.62906	0.6
59.27422	0.5
60.96596	0.6
73.09750	0.6
78.24084	0.6
79.65295	0.6
97.47501	0.6
109.10155	0.7
117.88026	0.6
120.08099	1.0
126.50124	0.6
165.09128	1.0
185.04050	0.6
193.04924	0.6
307.84122	0.6
311.18359	0.7
330.01624	0.7
344.98651	0.6
417.87778	0.6
509.27133	100.0
510.27393	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05293	1.4
55.05513	14.7
57.03443	6.5
57.07076	2.4
60.08125	1.3
67.05162	2.0
67.05502	24.4
67.55904	1.3
69.07066	17.5
69.09289	4.5
69.09694	3.6
79.05485	7.5
81.07052	29.4
83.04978	1.3
83.08618	10.5
85.02902	2.6
86.09694	3.7
86.21403	1.2
91.05488	6.6
93.07036	8.4
95.08593	21.6
97.06557	1.8
97.10184	4.6
98.22714	3.0
98.98447	15.6
104.10737	5.2
105.07023	3.5
105.11024	1.4
107.08577	4.2
109.10161	9.4
111.08083	2.5
111.11713	2.0
119.08559	3.1
121.10090	4.2
123.11673	2.0
125.00076	1.4
133.10109	1.8
135.11694	2.5
137.13168	1.4
147.11702	2.6
155.01128	2.2
161.13260	1.4
163.14803	1.3
163.16620	1.2
169.37169	1.4
173.02121	2.2
173.32483	1.4
175.14844	1.5
184.07289	6.5
185.07770	1.4
215.81392	1.5
225.70357	1.2
263.23788	1.9
337.27328	100.0
338.27643	3.8
366.99710	1.2
400.27899	1.9
428.61194	1.2
439.73044	1.6
509.32849	5.2
533.43207	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66178	0.8
55.01890	1.2
55.05511	14.3
57.03439	9.5
57.07074	2.7
67.05505	33.5
69.07065	15.7
69.17452	4.9
71.04986	1.6
71.08627	2.1
79.05491	6.4
81.07056	26.9
83.05000	1.8
83.08623	7.5
83.26450	0.9
85.10208	1.2
86.09701	0.9
91.05473	5.6
93.07047	7.6
95.04982	1.9
95.08604	22.7
97.06547	1.9
97.10180	3.3
98.22775	1.8
98.98466	17.7
105.07033	5.6
107.08607	4.4
109.10159	8.6
111.08096	1.0
119.08596	2.7
121.10154	3.2
123.11717	2.2
133.10141	3.1
135.11707	2.0
147.11702	1.3
149.50104	0.8
151.11211	1.0
155.01053	3.1
161.13257	1.5
173.02124	2.7
184.07370	1.7
195.00279	1.9
197.00819	1.1
210.08742	0.7
245.22685	1.7
247.05774	0.9
263.23718	1.7
337.27353	100.0
338.27692	3.9
509.32587	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2959
Annotation	Foliasalacioside H
Peak:m/z	Relative Intensity
53.03947	1.9
55.01872	7.7
55.05512	6.8
57.03439	16.3
57.07083	6.7
58.99600	1.6
61.02918	9.7
67.05498	7.1
69.03069	1.8
69.03431	32.7
69.07069	6.0
69.62038	3.7
71.01349	5.4
71.04986	1.7
73.02915	31.0
79.05474	2.6
81.03432	6.2
81.07053	22.8
83.08627	6.8
85.02905	100.0
86.99043	1.9
87.04469	5.6
91.03964	3.5
95.08023	2.1
95.08605	33.8
97.02894	44.9
97.10166	10.1
99.04457	2.6
99.08104	1.7
103.03932	3.3
105.00078	5.1
105.07014	1.8
109.02888	10.4
109.10150	44.4
115.03908	16.0
115.11207	2.1
123.11706	42.0
127.03918	28.6
133.04976	39.2
137.05983	2.2
137.13254	16.6
139.11192	2.0
145.04950	43.9
163.04068	2.0
163.04509	1.9
163.06009	27.4
177.16364	2.4
179.17943	49.4
180.18391	1.7
189.09065	2.3
191.03622	1.9
193.04977	1.8
197.19005	41.8
199.06108	1.4
207.10103	2.1
223.05997	3.5
241.07091	4.7
259.08109	7.8
277.09171	1.3
293.20551	1.2
311.22253	1.5
313.81512	1.2
329.14130	2.2
329.22885	1.5
330.14542	4.6
341.23627	1.6
359.24194	3.7
377.25211	1.6
457.50311	1.3
501.63116	1.4
526.59357	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
53.60313	1.5
55.01852	1.7
55.05508	19.5
57.03437	2.6
57.07075	13.2
67.05506	27.2
69.03430	3.6
69.07066	52.4
71.04993	2.7
71.08640	5.1
79.05471	12.1
81.03391	3.0
81.07056	100.0
83.08623	35.1
85.02917	10.9
85.06552	8.3
85.10168	3.1
91.05488	6.7
93.07056	22.1
95.04958	3.0
95.08604	86.3
97.02892	2.8
97.04674	1.6
97.06550	2.8
97.10166	16.6
97.21391	1.4
99.08096	7.2
105.07030	4.7
107.08585	22.7
109.02881	1.8
109.06512	1.7
109.10153	52.9
111.04433	1.6
111.08088	5.4
111.11723	19.4
113.09651	1.8
119.08561	3.8
121.10132	11.6
123.11702	35.5
123.12526	2.7
125.09582	2.5
125.13256	13.3
127.03923	3.4
133.10153	3.7
135.08096	1.8
135.11713	10.3
137.05997	5.8
137.09647	3.9
137.13242	30.4
139.14839	3.3
145.04988	2.3
145.06407	2.0
145.10075	3.2
147.11708	2.7
149.09534	1.9
149.13246	45.0
151.07506	2.3
151.14828	11.6
153.09062	1.6
153.12779	2.5
155.14319	8.0
157.10287	1.8
157.15851	3.1
159.11751	1.9
163.03960	3.3
163.06030	2.4
163.14818	11.0
165.09119	11.0
165.16386	8.5
167.07042	1.7
167.14326	34.4
169.15839	4.1
177.16377	3.3
179.03322	2.7
179.17929	7.5
191.17831	2.9
193.19548	4.7
205.19519	4.2
219.21074	3.8
242.56885	1.7
249.25766	3.1
275.27325	20.8
277.10471	2.8
293.28384	43.1
311.29465	3.7
411.12610	4.3
419.31305	1.7
430.69952	1.9
491.33054	1.7
509.20032	7.8
509.26877	3.2
509.34109	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	509.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15946	1.7
53.03941	3.0
55.05507	21.5
57.07080	19.0
67.05504	27.0
69.03419	5.0
69.06707	4.0
69.07066	54.9
71.08611	5.6
71.45180	2.0
74.00012	1.9
79.05485	17.9
80.32248	1.8
81.03399	3.2
81.07053	100.0
83.08618	37.0
85.02907	16.4
85.06532	9.9
91.05478	5.8
93.07035	24.2
95.04954	5.1
95.08604	97.2
97.02888	5.2
97.06503	4.5
97.10162	26.4
99.04425	2.2
99.08089	5.7
99.49757	2.3
103.05453	2.9
105.07004	5.8
107.08591	24.7
109.06481	4.1
109.10151	61.0
111.04299	2.0
111.08059	4.8
111.11696	20.4
115.03874	2.2
119.08534	4.3
121.10140	22.6
123.11703	44.0
125.09605	3.3
125.13242	19.0
127.03896	3.0
133.04922	3.4
135.11664	9.0
137.09616	2.9
137.13263	33.9
139.14795	4.2
145.04962	3.1
146.05995	5.5
149.13254	41.3
151.07521	2.8
151.14781	12.2
155.14278	8.2
159.11813	2.6
163.03902	5.9
163.14825	9.4
165.09116	13.5
165.16371	12.7
167.14302	22.9
169.15892	5.5
177.16432	4.5
179.17915	6.3
181.06496	2.6
191.18019	2.4
193.19516	6.0
207.21088	2.3
219.21013	5.2
233.22501	2.4
249.25720	4.0
265.61826	2.0
275.27359	19.0
293.28372	58.6
311.29395	11.6
353.67307	2.1
383.29373	2.1
397.85025	1.9
509.27124	4.5
509.34293	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	509.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	21.6
57.07069	16.2
62.18059	3.1
67.05507	23.9
68.81120	3.3
69.00821	3.4
69.03423	6.6
69.07069	64.7
69.12816	3.6
71.08636	5.6
79.05482	13.8
81.07056	100.0
83.08622	39.7
85.02897	13.1
85.06525	4.8
85.10212	3.5
91.05489	8.4
93.07055	27.9
95.08019	6.8
95.08606	96.7
97.10152	26.9
99.08083	6.4
105.07039	5.6
107.08614	20.1
109.10156	68.4
111.08102	6.9
111.11704	27.5
117.06980	3.4
119.08619	4.2
121.10141	13.5
123.11702	39.7
125.13245	19.6
135.11705	13.5
137.05971	8.6
137.13246	32.6
139.14772	4.9
149.13231	39.0
151.14828	13.0
155.14333	7.8
163.14781	8.6
165.09081	8.4
167.14362	25.6
169.15909	3.8
177.16350	5.1
179.03181	8.3
179.17908	5.4
181.10085	4.5
193.19470	4.1
201.15512	3.5
224.66801	3.6
237.22296	4.7
249.07310	9.9
254.03522	3.8
255.08565	6.0
275.27264	17.1
277.10477	14.3
281.28568	3.9
293.28381	53.4
311.29401	8.9
343.22083	4.1
347.14752	4.5
411.12653	44.8
509.23331	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	509.369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.4
55.05507	22.3
57.07080	14.6
57.10329	1.7
61.02926	2.5
61.65549	1.7
67.05507	30.3
69.03432	4.1
69.07067	57.3
69.21789	11.8
69.43003	2.2
71.05003	2.4
71.08614	6.3
79.05482	8.4
81.03407	2.2
81.07058	100.0
83.08620	39.2
84.17678	1.9
85.02891	11.9
85.06536	8.0
91.05485	4.3
93.07044	20.4
95.08610	88.6
97.02891	5.0
97.06513	2.8
97.10178	25.0
98.23450	3.0
99.08092	7.8
105.07011	2.0
107.08591	27.6
109.10155	58.2
111.08085	6.4
111.11725	20.9
113.09628	2.9
121.10144	14.5
123.11711	41.2
125.09655	2.1
125.13276	16.7
135.11693	11.1
137.13252	37.7
139.14856	2.8
143.14445	2.6
145.04932	2.6
149.13251	33.9
151.14810	13.6
153.12741	2.4
155.14296	11.4
157.15875	2.0
163.14856	12.4
165.16399	10.9
167.14304	24.9
169.15913	1.9
177.16396	4.7
179.17964	6.8
191.18013	2.2
193.19498	5.1
193.55811	1.7
205.19469	3.5
219.21144	5.3
275.27380	17.6
293.28384	47.0
311.29468	3.9
382.66730	2.1
411.12561	2.2
464.56537	2.1
509.19687	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	510.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72915	0.5
53.03942	1.8
53.64657	0.5
55.01877	2.2
55.24048	0.6
57.03440	4.7
61.02926	6.8
69.03428	15.1
69.35155	2.9
71.04988	2.1
73.02917	3.0
81.03413	8.3
81.07056	0.6
83.01334	0.6
85.02903	96.5
87.04481	2.2
91.03951	5.8
91.05511	0.7
93.07043	1.0
97.02889	24.1
99.04445	3.1
103.03975	0.8
107.01340	0.7
107.04963	1.8
107.08599	0.7
109.02884	10.7
109.06496	0.9
110.03677	1.6
115.03940	1.3
120.08106	0.7
127.03909	25.4
137.02336	91.2
143.99017	0.5
145.04955	52.4
151.03844	0.6
155.07031	0.8
163.03935	1.1
163.06012	22.2
169.04958	100.0
170.05365	0.9
179.07030	1.2
181.04884	0.7
181.08641	0.7
197.11725	1.6
198.12059	1.0
199.09689	1.3
199.12126	0.7
213.15097	0.7
225.74023	0.6
276.22018	0.5
325.11053	1.5
361.17261	0.8
510.17395	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	510.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.0
57.03434	6.7
59.04992	1.6
61.02916	2.1
69.03432	22.6
69.74117	2.3
73.02925	2.3
73.21703	1.0
76.17534	0.8
79.05509	1.3
81.03441	2.9
81.07040	3.5
81.33874	0.9
85.02905	20.9
87.04468	12.3
91.03958	1.1
91.05482	8.1
93.07036	10.1
95.04967	3.7
97.02893	17.4
99.04448	0.9
102.47659	0.9
103.05467	3.6
105.07054	2.3
106.07249	0.9
107.04990	2.1
107.08568	1.4
109.02873	2.0
109.06516	3.6
110.03691	1.3
111.04431	1.3
115.03931	20.2
119.04922	2.2
121.06508	14.4
123.04449	1.1
124.04007	1.6
125.06039	2.3
127.03922	3.4
131.04993	1.5
133.04953	19.6
133.06511	2.3
135.08060	3.0
137.02325	14.0
137.05942	2.4
138.06674	1.2
145.04970	4.2
147.04468	0.9
148.05270	1.4
149.05971	5.8
150.07635	5.2
151.03929	2.9
151.07545	2.5
163.03915	2.1
163.06039	1.4
163.07481	1.2
165.05382	1.2
166.06242	9.8
167.07056	2.3
169.04973	23.1
169.06429	1.1
179.07056	4.2
181.08595	100.0
182.08923	1.1
182.30042	0.8
185.11812	1.0
191.07043	1.8
193.08740	1.3
195.10204	2.7
197.08121	1.2
197.15990	0.9
199.09651	96.0
200.09998	1.8
209.08054	7.9
211.09621	2.1
215.09145	4.4
216.09485	2.0
223.09647	10.0
237.08455	0.9
249.11293	2.7
250.17957	1.0
265.10687	13.2
268.08011	2.1
277.10803	2.7
277.45456	1.0
279.38663	1.0
295.11908	5.3
307.11707	1.5
325.12915	1.4
347.10324	1.0
422.99612	1.0
434.07181	0.9
511.14371	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	510.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42147	0.7
57.03436	1.5
69.03424	5.9
71.04996	4.4
77.45489	0.8
81.03417	2.9
85.02904	7.8
87.04483	2.7
89.06028	29.1
91.05469	6.6
94.04150	0.8
97.02893	11.9
99.04436	2.1
107.04967	0.8
109.02893	3.2
115.03902	1.9
119.04945	20.1
122.03644	3.0
127.03933	5.2
131.04965	1.6
133.04956	2.5
135.06531	8.3
137.05972	100.0
138.06288	1.1
145.04958	4.5
145.06548	1.3
147.04404	37.3
147.36136	0.8
148.04745	1.3
149.05971	1.2
150.98018	0.9
151.04044	0.9
151.07556	3.4
163.07581	2.4
167.07057	2.3
169.06479	0.9
175.07570	2.9
177.05515	3.3
179.07027	36.6
181.08603	6.4
191.07019	4.6
197.08096	10.5
201.09192	1.4
203.07025	6.6
205.08615	2.3
209.08179	1.7
215.07008	4.3
219.08597	1.2
223.09709	0.9
223.81960	0.9
227.09161	1.4
229.08548	4.4
233.08127	3.2
243.08641	1.1
257.08041	4.5
261.09708	3.6
275.09171	2.5
277.10754	2.1
279.10553	0.9
293.10233	2.6
311.11371	1.8
347.11493	1.0
391.13614	1.4
409.14813	1.5
427.15811	0.9
431.46933	0.8
481.43134	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.1
57.03437	8.9
58.99576	1.5
59.05006	1.1
60.28465	1.0
61.02942	1.3
67.05495	4.9
69.03424	11.7
70.10383	2.5
71.01332	4.4
71.04980	1.5
73.02920	13.7
79.05489	7.4
81.03398	3.1
81.07054	7.4
83.01341	1.3
85.02901	10.9
86.99053	2.2
87.04462	1.7
91.05465	4.7
92.06011	1.0
93.07037	18.7
93.07597	1.4
95.04969	7.5
95.08625	3.1
97.02895	12.9
99.04461	1.3
101.02464	1.1
105.00078	4.9
105.07036	2.0
107.04880	2.1
107.08591	8.1
109.02902	0.9
109.10210	1.4
111.04403	0.9
111.08101	4.8
115.03931	11.1
115.05473	1.6
116.79402	0.9
117.07016	5.6
119.08601	3.2
120.08107	1.0
121.10146	3.6
123.11728	4.8
125.02333	3.9
125.09649	1.1
127.03936	2.6
133.04965	3.5
135.08049	31.3
137.09602	20.4
145.03117	1.1
145.04967	3.2
145.06508	1.6
151.11223	1.5
153.09106	11.2
163.04109	3.2
163.06189	1.1
163.07535	30.8
163.11189	2.0
167.10663	1.3
181.08592	73.3
181.12187	3.9
191.03745	3.2
193.04970	1.0
199.09650	100.0
199.13394	2.9
209.15331	1.0
223.06096	1.0
241.07065	1.6
259.08035	1.1
295.11746	2.6
313.12537	5.8
325.12903	4.2
331.15820	1.9
343.13925	1.5
457.16779	1.5
470.18237	0.9
475.18378	1.4
475.30215	1.0
501.23010	1.3
510.17209	1.8
510.24414	4.2
511.17822	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29507	1.6
51.82986	1.4
55.01889	1.4
55.05522	1.6
57.03433	4.5
62.27055	1.5
67.05518	2.0
69.03431	6.2
69.07072	2.0
69.10587	11.5
70.06596	2.0
71.04989	30.1
73.02904	2.9
78.65597	1.4
79.05503	4.3
81.03395	2.7
81.07042	7.5
82.74751	1.6
83.04981	2.8
85.02911	40.2
86.09713	1.8
87.04485	2.4
88.97021	1.8
91.05494	8.0
93.07049	6.1
95.04974	3.8
95.08624	3.2
97.02909	2.9
99.04473	3.0
102.62139	1.7
105.07005	3.0
107.04937	4.9
107.08596	2.0
109.02866	3.7
109.06525	4.0
111.04481	2.1
115.03938	3.3
117.07059	3.3
119.04915	7.8
120.08122	6.8
121.06532	7.8
121.10159	4.2
122.06789	1.8
123.04438	6.3
123.11716	4.6
127.03909	3.4
129.05476	17.1
129.06949	7.4
131.04938	3.7
133.05028	2.0
135.04454	4.9
135.08087	1.9
137.05975	70.3
145.04980	3.8
146.08092	2.9
147.04437	7.2
147.06532	7.3
147.08144	1.6
149.05966	15.6
150.06709	2.0
151.03940	2.5
151.07536	38.0
157.06499	8.8
160.05191	1.8
160.07561	2.0
161.05972	6.6
163.03894	9.6
163.07542	19.0
163.11191	2.4
164.09216	9.8
165.05495	2.3
165.06985	2.9
167.07063	3.3
167.08525	1.9
169.12222	2.8
173.05969	1.9
175.07529	19.2
177.05513	3.5
181.08604	6.3
181.12305	10.3
187.13226	2.6
189.09122	6.0
193.06451	3.2
193.08609	3.3
193.10165	2.6
195.07997	2.9
199.09686	2.1
199.13321	5.6
207.10153	2.2
210.07018	1.6
211.07558	5.6
213.09152	3.1
221.05986	5.3
221.09721	2.8
225.09122	3.5
239.07021	3.8
241.08583	5.4
253.08658	6.7
253.12222	5.3
258.09000	2.8
267.10117	2.2
270.24252	2.0
271.09628	18.2
273.11237	11.6
281.11920	2.5
285.11151	3.7
294.08408	1.7
297.11334	2.1
299.12790	18.6
311.12976	1.9
317.13828	100.0
318.14145	3.8
323.12576	1.8
329.13980	7.8
335.12659	1.8
335.19559	2.4
348.27350	2.2
353.14099	3.1
383.14905	3.1
409.16388	4.6
425.94067	1.6
427.17386	2.1
456.29492	1.8
463.19669	2.2
510.17123	2.3
510.24335	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	510.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02028	1.0
51.94721	1.1
55.05506	2.3
57.03432	1.7
57.07072	2.2
58.99587	27.5
59.04999	1.5
69.03428	92.5
69.07073	9.1
69.33533	3.3
69.33945	2.1
70.07405	2.5
71.04984	1.8
72.45178	1.0
73.01138	3.3
73.02927	1.9
75.02725	1.2
81.03438	2.1
81.07052	4.4
85.01116	2.6
85.02904	6.4
86.99054	40.5
87.04468	20.8
89.04255	2.2
91.05479	1.3
93.07034	1.5
95.05000	1.0
95.08617	1.7
95.97402	1.1
97.02911	5.8
97.03415	1.0
97.06558	1.2
99.02678	9.9
103.02185	1.7
105.00091	100.0
109.02867	2.8
109.06508	1.3
111.11676	1.9
112.12040	1.5
115.03956	1.9
117.03720	19.0
119.01614	1.4
121.10149	4.7
123.08121	1.7
123.10867	2.1
123.11696	19.4
127.03916	3.8
133.04916	1.2
135.08073	12.6
135.14146	1.1
137.05994	1.5
139.11255	2.3
140.11481	1.4
145.03172	23.7
145.04970	2.1
149.02679	15.0
149.09653	5.7
151.11139	1.6
163.04236	49.7
166.82191	1.0
168.20747	1.0
173.13306	2.7
178.16653	1.7
181.12323	2.0
181.15715	1.2
191.03729	86.0
191.14311	22.1
191.15956	1.8
195.17516	2.0
196.17776	3.4
213.18457	2.3
213.72594	1.1
214.18849	3.5
215.19063	1.7
223.11511	1.1
236.09190	1.3
257.08453	8.5
275.12137	1.1
313.14651	36.4
510.23160	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94794	0.8
53.03938	1.0
55.05500	4.7
55.37505	0.7
57.03438	2.0
57.07065	3.0
60.72350	0.9
61.02924	1.4
63.08161	0.9
67.05488	2.2
69.03435	6.5
69.07068	2.7
70.06577	0.8
72.08156	1.0
73.02912	8.5
79.05475	1.7
81.07055	6.4
83.04977	2.5
84.08118	0.9
85.02901	4.6
85.06533	4.5
91.05464	2.0
93.07040	4.7
95.04965	1.1
95.08609	7.0
97.02897	7.5
97.06529	2.1
97.10179	2.4
99.04513	0.8
105.07018	1.4
107.08585	7.6
109.06508	1.4
109.10140	3.1
111.04437	35.5
111.08093	1.7
115.03928	6.3
119.04920	0.9
119.08646	1.0
121.06455	1.7
121.10112	2.5
123.11684	1.7
125.05984	10.7
125.09592	0.9
127.03909	2.5
127.07544	1.3
133.04959	2.7
135.08060	6.0
135.11696	10.6
137.05960	1.8
137.13248	2.3
139.07529	1.6
145.04916	2.3
145.10130	5.4
147.04378	1.5
151.03804	0.9
153.12753	3.2
159.25003	0.8
163.03923	1.5
163.05945	0.9
163.11177	11.3
163.14835	1.0
165.05586	1.0
165.09116	5.0
167.07065	1.5
179.03421	1.0
181.12230	100.0
181.15758	10.9
199.13293	42.9
199.16934	6.8
204.06473	0.8
223.06046	1.4
241.07062	1.5
316.22681	5.6
334.23846	2.5
374.12048	1.3
492.24878	0.9
510.17310	3.3
510.23468	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	510.283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	23.5
57.03419	12.9
67.05510	63.6
69.07057	21.4
69.16644	23.9
69.17054	11.8
71.08608	7.7
74.34726	5.3
79.05489	42.5
81.07057	65.4
83.04971	10.5
83.08595	12.9
91.05468	28.4
93.07037	51.1
95.04983	8.3
95.08598	41.6
97.06532	7.6
98.23436	12.1
99.08089	16.7
105.07021	19.2
105.28441	5.6
107.08596	17.7
109.10174	8.9
117.07050	9.5
119.08570	11.7
121.10145	16.8
126.12784	6.3
131.08540	9.5
133.10135	8.5
135.11674	9.7
149.13228	9.7
151.11122	10.3
159.11607	7.5
193.04965	7.7
200.23659	10.2
220.16928	12.8
224.10576	8.0
237.07846	6.4
238.18021	7.9
243.21043	7.3
245.75542	6.4
252.02084	4.9
268.33823	5.9
269.17484	26.5
277.21863	5.7
281.85330	5.8
335.25827	100.0
351.25110	13.2
369.25824	6.8
392.18246	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60164	2.5
55.01864	7.7
55.05510	29.5
57.03446	19.3
57.07068	4.9
62.06084	3.2
67.05502	70.5
69.03445	4.3
69.07063	22.0
69.27772	2.6
69.67017	6.7
69.67410	4.9
71.04987	8.0
71.08334	2.8
71.08633	34.6
71.71152	3.0
79.05495	49.4
80.05006	3.5
81.03413	8.5
81.07053	69.2
82.06593	2.9
83.04975	13.3
83.08638	15.8
84.08134	3.8
85.06508	5.0
91.05486	42.8
93.06458	3.7
93.07044	66.7
95.04961	16.3
95.08598	43.8
97.06513	11.0
97.10154	4.8
98.05991	3.1
98.22729	4.1
98.98450	10.2
99.07518	4.5
99.08098	33.0
100.11231	3.6
105.07030	28.8
107.04940	5.6
107.08598	30.4
109.06479	4.7
109.10133	11.8
111.08076	9.0
113.09608	3.1
117.07024	11.0
119.08601	19.2
121.06524	3.6
121.10124	16.0
123.08040	3.3
123.11716	4.8
126.12827	3.2
129.05460	6.0
129.06992	7.8
131.08539	12.6
133.10107	22.5
135.08015	3.9
135.11661	17.8
139.11118	7.4
139.33998	2.8
143.08510	3.3
145.10127	10.3
147.11697	10.3
147.29713	2.7
149.09595	3.4
149.13228	12.4
151.11168	23.9
157.10114	4.2
159.11707	9.2
161.13255	11.7
163.11156	15.8
163.14816	5.2
165.12845	3.6
171.11685	7.2
173.13304	3.0
175.11183	2.9
177.12772	6.6
179.14290	10.3
185.13339	4.3
195.13811	9.0
196.10674	3.0
216.06256	5.7
220.16924	9.9
224.10442	5.4
231.20912	3.4
238.17938	7.8
241.19559	15.6
243.21091	4.9
251.16501	8.8
259.20569	11.7
266.34540	2.8
269.17453	70.7
277.21576	19.4
294.20615	5.2
320.25870	5.9
333.24231	47.6
338.26938	4.9
351.25302	100.0
352.25595	3.4
366.54669	3.3
369.26343	63.1
374.17154	8.3
392.18256	36.4
463.75104	3.1
474.26050	12.1
510.17505	3.2
510.40622	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	510.283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97157	0.9
53.03951	2.0
55.01873	3.2
55.05510	18.4
57.03440	10.6
57.07082	2.1
62.06089	0.9
67.05506	36.7
69.07068	15.9
69.17706	5.5
71.04990	2.8
71.08630	26.8
77.03912	1.3
79.05490	25.4
80.05035	1.5
81.03410	4.0
81.07057	37.1
82.06583	1.5
83.04984	6.9
83.08623	11.7
84.08144	1.3
85.06538	2.4
91.05479	19.1
93.07041	30.0
93.07604	1.9
95.04967	8.6
95.08601	22.1
97.06522	7.5
97.10185	7.6
98.06079	1.4
98.98471	3.3
99.08092	21.9
105.07024	14.7
107.04941	1.8
107.08587	19.9
109.06507	3.8
109.10174	7.0
111.08074	4.3
113.09590	1.1
117.07010	5.4
119.08583	8.3
121.06494	1.7
121.10151	7.8
123.08088	2.6
123.11722	3.0
124.01669	1.6
124.11277	1.8
125.00004	2.0
125.09624	6.0
129.05423	1.1
129.07025	2.5
131.08600	4.6
133.10130	8.7
135.08076	2.5
135.11681	8.0
137.09624	1.8
139.07573	1.9
139.11172	2.1
142.12245	2.1
143.08597	1.9
145.10153	4.6
147.11685	5.1
149.09583	1.2
149.13235	6.8
151.11180	13.4
153.09093	2.0
155.01122	1.2
157.10147	1.4
159.11620	2.8
161.13234	8.2
163.11171	8.7
163.14832	1.6
165.12791	3.1
171.11684	3.3
173.13316	1.6
175.14775	1.6
177.12697	2.1
179.14272	6.8
184.07320	6.5
185.07652	1.4
185.13290	2.5
186.07765	2.1
189.11226	4.4
191.56610	1.0
195.13773	3.5
196.13312	3.6
201.55078	1.2
206.77307	1.1
216.06302	3.1
220.16968	4.4
227.12798	4.9
231.20944	1.5
238.18057	4.3
241.19536	4.4
245.13841	1.6
253.18001	3.6
259.20535	5.0
265.06689	1.4
269.17462	26.3
270.17255	1.3
273.98764	1.0
277.21652	18.2
280.34320	1.3
295.22641	1.8
302.24872	1.5
320.25873	3.7
323.25806	3.3
333.24228	8.7
336.15692	1.7
351.25287	100.0
352.25778	2.8
369.26346	30.0
374.17407	2.5
378.16632	2.5
392.18335	18.6
418.23245	1.7
459.85809	1.0
474.26096	9.0
492.27301	5.2
510.23712	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3557
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05498	1.1
56.05031	1.1
57.03442	0.9
57.07079	4.7
58.06607	1.9
60.08166	18.2
67.05500	2.4
69.07058	1.2
70.39418	1.1
71.07363	5.2
71.08634	3.5
73.14526	0.6
79.05495	1.0
81.07054	2.3
83.08623	1.2
85.02908	1.4
85.10187	2.4
86.09708	48.0
91.05461	1.2
95.08630	3.1
97.02879	0.7
97.10130	0.6
98.98465	3.8
104.10744	100.0
105.11089	1.0
107.08601	1.3
109.10150	1.8
119.08615	1.2
125.00003	27.3
184.07339	94.7
195.00319	2.1
196.00616	1.2
197.00682	1.4
239.23688	1.0
277.21518	0.6
313.27432	2.7
327.29044	1.3
374.06506	0.6
385.91400	0.6
475.33643	0.8
492.34467	9.4
510.35568	35.6
511.35889	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.05509	8.6
57.03427	4.8
57.07078	60.1
61.02930	3.5
66.73179	1.5
67.05505	23.8
69.03429	4.0
69.07065	11.8
71.05003	2.4
71.08632	49.9
71.98043	1.2
72.08953	1.4
75.04479	2.6
76.25562	1.2
79.05505	3.3
81.03414	3.9
81.07056	28.5
83.08622	21.9
85.02914	10.8
85.10179	26.3
86.09700	3.0
91.05464	3.1
93.07040	4.6
95.08611	43.2
97.02875	6.4
97.10179	11.1
99.04458	1.8
102.28947	1.6
104.10745	7.9
105.07056	1.3
107.08590	2.9
109.02886	3.5
109.10157	21.5
111.11728	2.8
118.79294	1.4
123.11714	6.3
125.00041	2.8
125.13307	1.7
127.03944	8.1
133.10124	5.4
137.13272	4.6
145.04974	6.7
184.07356	5.6
195.00359	1.9
197.00700	2.0
221.22514	3.2
239.23706	52.3
250.04745	1.3
257.24783	5.5
275.20044	2.4
313.27368	100.0
314.27756	3.3
329.27017	1.5
331.28412	16.5
383.28033	11.5
401.29007	35.5
457.32623	1.5
475.34021	9.5
511.30222	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.05510	6.1
57.03431	4.3
57.07076	28.5
58.19339	2.3
61.02937	4.4
61.65204	2.1
66.03532	1.9
67.05498	9.4
69.03426	18.8
69.07069	8.3
71.04983	2.2
71.08636	21.3
72.50397	1.9
79.05496	6.4
81.03418	16.7
81.07061	17.1
83.08617	7.5
85.02908	100.0
85.10177	11.9
86.09720	5.7
91.05492	3.6
93.07045	7.2
95.08608	19.0
97.02892	43.0
97.10173	4.8
99.04458	3.7
103.03934	3.5
104.10736	4.7
105.07051	3.6
109.02881	16.2
109.10160	10.8
119.08558	2.1
121.10133	3.5
123.11732	3.7
125.00086	3.1
127.03906	22.6
133.99120	2.1
134.69852	2.0
137.13301	3.4
145.04967	15.2
145.22595	2.3
147.04442	2.6
151.11243	2.5
179.54538	2.3
184.07352	12.8
195.00319	9.1
196.00699	3.1
197.00749	7.2
224.04102	2.3
239.23720	26.3
251.51689	2.3
257.24744	5.4
288.86581	2.2
313.27399	8.1
314.27557	4.2
345.01138	2.2
383.27905	16.0
401.29071	35.0
474.34714	2.4
475.33777	5.2
510.27014	4.8
510.34399	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	510.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.6
57.03463	1.4
57.07076	57.8
60.08160	5.5
65.21972	1.0
67.05503	18.9
69.03426	6.9
69.07063	11.2
69.60249	3.1
71.04992	1.9
71.07361	4.2
71.08631	48.2
73.88199	1.0
79.05478	1.1
81.03410	4.8
81.07061	26.2
83.08619	18.6
85.02900	19.8
85.10182	25.8
86.09708	29.4
89.56905	1.0
93.07058	1.8
95.08607	41.6
95.09214	2.1
97.02894	42.3
97.10153	13.4
98.98458	1.8
99.04450	7.6
99.11722	2.7
104.10744	4.1
105.07038	1.4
109.02867	6.4
109.10152	17.9
111.11739	2.8
123.11694	7.9
125.00017	18.3
125.13280	2.4
127.03909	16.4
137.13263	3.9
139.14790	1.2
145.04967	12.1
151.14754	1.3
153.41046	1.2
154.67984	1.1
184.07344	100.0
186.01787	1.2
189.73370	1.2
221.22623	2.6
239.23689	93.9
240.24063	2.1
257.24774	1.9
286.85129	1.2
323.25784	2.1
383.27905	31.0
387.89087	1.2
401.28973	49.9
510.35294	4.6
514.86475	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01862	1.3
57.03429	0.8
69.03427	2.2
69.48616	0.5
71.04967	0.5
77.03929	0.8
78.03452	3.0
78.04707	1.2
79.05489	1.9
81.03416	3.0
85.02908	2.5
89.03911	0.9
91.05476	5.6
93.07042	5.2
95.04964	2.1
95.08602	0.5
95.46780	0.5
97.02886	2.1
99.04467	0.6
100.27701	0.5
103.05463	6.7
106.02919	12.6
106.04148	1.6
107.04958	3.3
107.08615	0.7
109.02876	2.6
109.10168	0.6
111.08114	0.6
115.03908	1.0
117.03387	1.6
119.04932	1.9
119.08541	0.9
121.06507	12.1
122.03642	0.6
123.04420	4.0
124.03953	31.4
124.05245	1.1
126.05511	2.2
127.03905	1.9
131.04926	8.0
133.02827	1.9
134.03642	1.7
135.04413	0.9
137.05966	8.7
137.09645	0.6
138.26117	0.5
140.04666	3.3
141.05441	1.9
145.02829	1.5
147.04410	2.0
148.05168	2.3
149.05981	18.4
152.04688	1.2
153.09073	0.6
154.04997	4.0
155.06996	2.8
159.04445	4.9
162.03162	0.8
163.03902	1.6
163.07512	0.9
165.05539	0.8
165.09097	2.0
167.07034	100.0
168.07385	1.2
176.04648	1.5
177.05469	41.7
178.06038	0.6
181.04816	0.5
181.08586	0.8
183.10182	4.3
191.07024	1.6
194.05754	1.8
197.08115	1.8
201.11191	5.1
209.08087	26.2
227.09132	49.9
228.09398	0.9
232.06096	1.0
250.07135	7.1
268.08163	22.8
280.08072	0.9
298.09216	0.9
464.15561	8.4
494.16641	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	512.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01858	2.7
55.05515	1.8
57.03437	3.6
60.88193	1.5
66.76975	1.4
67.05502	10.5
69.03426	16.1
69.07066	13.4
70.06567	1.6
71.05011	2.6
73.02903	3.8
78.03429	2.3
79.05485	8.0
81.03403	5.6
81.07055	3.3
85.02914	13.8
85.06526	4.0
86.09679	1.8
87.04482	8.0
91.05473	16.8
92.20119	1.5
93.07045	26.6
94.94941	1.4
95.04961	14.6
95.08605	7.2
97.02898	14.5
97.06525	2.6
103.05469	6.5
105.07035	3.2
106.02940	13.7
107.04950	4.2
107.08568	5.4
108.08128	1.7
109.02874	5.1
109.06525	3.7
109.10162	8.8
111.04430	4.6
111.08044	2.2
113.05996	2.8
115.03916	35.1
117.06983	1.9
119.08572	14.1
121.06514	16.4
121.10172	3.0
123.04414	9.8
123.08059	2.1
124.03961	31.6
125.05973	3.0
127.03898	3.4
131.04933	8.6
133.02847	1.7
133.04947	7.8
135.08046	3.4
137.05975	10.6
137.09592	13.8
137.38031	1.5
140.04633	2.9
141.04478	2.2
141.05472	30.6
145.02802	2.1
145.04956	3.7
147.08025	5.8
148.05135	1.9
149.05981	21.2
153.09068	3.5
155.06984	2.4
159.04424	5.0
163.03845	1.9
163.07553	1.5
165.09108	29.4
167.07039	100.0
171.10091	1.5
177.05476	40.0
181.04924	1.9
183.10170	42.5
183.13741	1.8
191.07025	2.2
194.05791	2.8
201.05244	1.5
201.11214	52.0
209.08080	28.7
215.63815	1.7
227.09137	54.6
232.06123	2.1
232.08351	1.5
237.29189	1.7
250.07043	7.3
268.08154	32.5
310.78433	1.6
313.38364	1.4
342.65720	1.7
363.16467	3.1
377.73593	1.8
464.15460	8.6
494.16541	4.5
513.15704	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	512.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
54.78815	0.8
55.05521	4.2
57.03428	2.5
61.02934	2.0
65.03947	1.2
67.05500	4.2
67.26481	0.8
69.03432	8.8
69.07061	3.9
69.22990	5.3
71.04984	3.4
71.78033	0.9
73.02930	0.9
73.85970	1.0
77.03917	1.7
79.05498	12.1
81.03406	3.7
81.07063	8.6
83.04977	1.9
83.08587	0.9
85.02405	1.7
85.02908	31.0
87.04459	1.2
91.03960	1.6
91.05479	16.8
93.07047	77.6
94.07343	0.9
95.04974	5.0
95.08612	12.1
97.02894	9.4
97.06528	2.7
105.04497	2.2
105.07048	5.5
107.08595	100.0
109.02908	2.2
109.06464	1.0
109.10152	3.0
115.03909	1.2
119.06071	2.2
119.08588	1.7
120.09373	1.0
121.10115	1.6
127.03899	8.8
133.05115	1.1
133.10123	1.7
135.11694	84.9
137.13316	1.6
145.04950	13.0
147.11716	1.6
153.12747	15.4
163.03905	1.8
163.06047	6.4
163.07240	1.1
165.12801	6.5
183.13792	3.1
261.14819	1.3
279.15497	1.1
297.16977	1.8
318.09866	1.1
325.11221	1.3
425.91351	1.1
425.97858	1.1
508.11008	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	0.5
67.05504	0.5
69.03420	0.9
71.04982	0.4
71.44753	0.4
79.05491	0.7
80.83823	0.4
81.03417	0.4
81.07055	0.9
85.02911	3.3
89.33880	0.4
91.05477	1.0
92.05834	0.4
93.07042	4.9
94.07346	1.1
95.04947	0.5
95.08620	2.0
97.02885	0.6
97.06554	0.4
107.08597	5.8
108.08908	1.0
109.10180	0.5
127.03732	1.3
135.11682	5.1
136.12003	1.7
140.44798	0.4
141.05219	0.4
145.04956	1.4
149.02095	11.1
153.12761	1.8
154.13135	0.6
156.89798	0.4
163.06039	0.7
163.55675	0.4
169.04695	0.8
171.13820	0.9
172.14055	0.5
184.14169	0.4
219.06294	7.9
230.48569	0.4
301.09061	0.6
317.08377	4.3
351.16180	0.4
387.12604	17.7
464.53754	0.4
513.15643	100.0
514.16180	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	513.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
58.99644	0.4
61.02918	0.5
67.05505	0.7
69.03434	2.8
69.61305	1.3
73.02920	0.7
79.05487	0.7
80.17657	0.4
81.03393	0.7
81.07059	0.8
85.02908	2.1
86.99075	0.5
91.05476	0.6
93.07069	0.7
95.04974	1.2
95.08568	0.9
97.02892	1.2
105.00093	2.0
105.07006	0.5
107.04951	3.1
107.08596	0.5
109.02882	0.9
109.10158	0.7
123.04420	0.7
123.11691	0.6
127.92065	0.5
135.04420	1.2
137.05994	0.6
140.20789	0.4
145.02966	0.7
145.10068	0.4
147.04485	0.6
151.03900	0.8
163.03897	7.3
165.05486	2.3
167.07053	1.5
177.05565	0.6
182.08437	0.5
184.07330	0.6
185.04338	0.5
193.15915	0.9
227.09195	1.3
229.12010	3.5
263.08194	0.6
289.12360	1.2
305.11819	10.1
307.04483	0.7
315.16275	0.7
316.16608	1.1
322.35757	0.5
333.11597	0.7
336.23151	0.5
341.10989	0.5
351.12344	42.2
352.12766	1.0
352.17145	0.8
513.17664	100.0
514.18042	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3037
Annotation	Platenolide B mycarose
Peak:m/z	Relative Intensity
51.10783	0.2
55.05518	0.5
57.07071	0.6
69.26175	1.3
70.06581	0.5
71.08599	0.4
78.81504	0.3
79.23840	0.3
87.90656	0.3
88.07618	0.7
98.23443	0.6
115.03701	0.8
162.15575	0.3
220.96442	0.3
239.48669	0.3
256.26443	0.9
259.07828	0.6
283.26291	1.3
311.25687	0.5
409.79016	0.3
421.25430	0.3
426.09525	0.3
431.15720	0.3
489.01053	0.3
498.40390	0.3
512.50238	1.4
513.30322	100.0
514.30652	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	513.3062
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
55.01875	1.9
55.05511	8.7
57.03437	4.6
61.02923	10.3
67.05506	24.8
69.03439	5.2
69.07065	8.1
73.02904	3.8
79.05493	28.8
81.03409	2.8
81.07055	25.0
83.04984	3.1
83.08630	3.0
85.02913	9.0
91.03950	4.5
91.05476	26.7
93.07047	38.7
95.04972	6.8
95.08597	21.4
97.02902	5.0
97.06536	2.3
105.07024	28.9
106.95718	1.7
107.08599	26.9
109.06464	2.3
109.10168	10.0
117.07011	9.7
119.08573	24.3
121.10103	16.2
123.11731	2.2
129.06996	5.5
131.08574	12.0
133.10129	18.6
135.08037	2.0
135.11700	21.9
136.31137	2.0
143.08557	5.5
145.10114	12.0
147.11693	23.2
149.09615	3.8
149.13266	14.8
153.01810	6.7
157.10149	7.2
159.11728	12.3
161.13287	18.9
163.11276	2.1
163.14888	5.9
171.11674	9.7
173.13161	10.1
175.14853	9.1
177.12767	3.1
185.13272	6.4
187.14867	3.7
189.12643	1.9
196.37903	2.1
199.14757	3.0
204.31927	2.1
217.19672	3.1
231.17459	1.8
231.21083	4.8
241.19543	24.5
241.51512	1.9
259.20581	49.2
277.21677	9.1
333.24277	6.4
349.23825	2.7
351.25290	100.0
363.25543	3.0
367.22919	2.7
375.25302	2.7
385.23474	2.7
403.25314	2.3
441.26331	7.1
459.27695	3.6
469.56409	1.9
477.28461	4.4
495.29507	3.1
513.31079	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	513.3196
Annotation	Kermadecin G
Peak:m/z	Relative Intensity
51.64046	0.5
53.29196	0.5
53.61766	0.5
55.05510	0.5
60.42187	0.4
69.07069	0.6
79.05484	0.7
81.07056	0.6
82.48118	0.5
95.08640	0.6
105.07021	0.9
107.08617	0.5
113.35075	0.5
117.14284	0.5
119.08607	0.8
120.08279	0.5
121.10157	0.7
133.10098	0.8
141.05214	4.1
153.01831	3.8
195.09947	0.5
239.42595	0.6
351.25378	0.9
395.25705	3.1
513.31885	100.0
514.32251	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	514.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37034	1.1
52.64686	0.9
55.05516	2.6
57.03443	1.4
65.03958	2.1
67.05501	2.0
69.03428	3.8
69.07076	1.1
71.04998	2.9
78.57448	1.1
79.05481	4.1
81.03427	9.0
81.07059	7.2
83.04966	1.4
83.08624	2.7
85.02902	5.3
91.05462	2.6
93.07038	2.6
95.04967	11.7
95.08623	3.2
97.02878	7.3
98.22742	3.1
99.04475	3.2
103.05430	1.5
105.07042	4.4
107.04949	2.3
107.08632	2.5
109.02894	2.6
109.06525	4.7
109.10129	1.2
111.04485	2.5
111.08078	18.7
119.08597	1.5
121.02866	52.5
121.06493	3.8
121.10160	1.1
123.04457	2.3
123.08105	3.3
127.03908	67.8
128.04285	1.3
133.06483	3.4
135.04442	1.3
137.05962	2.4
139.03761	1.0
147.04396	1.3
151.03880	4.6
151.07568	3.8
153.05499	2.0
157.10141	1.1
163.03922	3.3
175.11232	1.3
179.07019	21.6
181.04971	1.4
188.84276	1.0
193.12231	5.4
197.08086	100.0
235.13211	1.5
267.15985	4.1
285.16916	9.3
299.32446	1.1
301.14288	1.8
335.12842	2.0
337.16425	1.9
353.13995	3.1
497.18228	1.7
514.18695	1.3
515.19092	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	514.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01866	1.1
57.03437	1.2
61.02919	2.4
67.05492	1.5
68.29340	0.6
69.03425	5.6
69.34819	3.2
73.02906	1.7
79.05494	2.1
81.03423	3.1
81.07047	2.6
85.02903	8.0
87.04474	1.1
87.53358	0.6
91.05489	2.1
93.07052	1.7
94.06566	3.3
95.04971	1.5
95.08629	0.9
96.08181	0.8
97.02885	3.5
97.06469	0.6
99.04455	0.6
105.07008	3.3
107.04945	1.9
108.08100	0.9
109.02878	3.6
110.06028	6.6
113.06046	0.7
117.07039	1.3
119.08560	1.2
120.08122	0.7
121.06502	0.7
122.06010	2.3
122.09634	0.7
123.06815	3.8
124.07594	6.2
127.03917	1.5
133.06456	4.3
134.09654	2.6
135.04405	5.9
136.07581	7.7
137.05959	2.0
140.07092	2.0
141.07890	1.5
143.08496	0.7
145.04919	1.0
145.06442	0.6
146.09648	0.7
147.24113	0.7
148.07591	1.5
149.08344	2.3
150.09138	1.3
154.08601	2.4
155.08487	1.0
159.08041	1.6
160.07545	1.0
161.06006	1.9
162.09097	3.3
163.07547	0.8
165.05527	1.4
167.07051	3.8
167.09442	0.9
171.07999	0.7
174.09174	2.2
176.07114	0.7
176.10689	1.6
177.09276	0.8
180.10193	20.4
185.15414	2.1
186.09190	3.2
188.10739	2.0
190.08597	0.7
194.11778	1.0
200.10674	1.0
202.08620	1.9
204.10187	4.9
204.13777	0.8
206.11743	0.9
214.08673	1.0
214.12285	3.2
215.07190	1.4
216.10252	1.6
216.13828	1.6
216.67856	0.6
220.49379	0.6
222.11299	1.6
228.13869	1.2
229.12064	0.7
232.09668	12.4
232.13257	6.8
234.11243	4.1
234.14771	2.9
238.12241	1.3
246.14879	0.8
250.10732	24.8
250.13354	1.2
256.13330	4.6
258.14972	0.9
264.12354	4.6
268.34311	0.6
272.12930	1.7
274.10153	0.7
274.14313	5.2
282.13379	1.2
284.12784	8.6
302.13882	23.1
307.62479	0.7
316.15405	1.8
320.14902	33.8
334.16446	11.5
352.17532	100.0
353.17825	1.5
367.22510	0.6
397.61148	0.6
496.21786	0.7
514.23199	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	514.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01865	1.0
55.48537	0.5
57.03433	1.5
61.02923	1.7
65.03941	0.6
67.05503	2.8
69.03429	11.1
69.07070	1.0
71.04975	1.0
73.02915	1.5
76.02245	0.8
79.05485	2.7
81.03393	3.0
81.07058	4.3
83.04932	0.7
84.04496	0.9
85.02905	10.1
85.06536	1.0
87.04481	0.9
91.05482	2.3
93.07026	1.3
93.42352	0.7
94.06567	4.1
95.04960	1.6
95.08599	2.3
97.02894	3.9
97.06548	0.8
99.04437	0.7
103.05444	0.7
105.07034	3.8
107.04936	1.5
107.08585	0.8
108.08097	0.8
109.02874	3.8
110.06026	4.4
113.00629	0.6
117.07044	1.0
120.08102	0.8
122.06039	1.7
123.04433	1.4
123.06818	5.2
123.11684	0.9
124.07602	5.8
127.03876	1.4
128.43811	0.7
131.04916	0.6
131.08595	1.2
132.08076	1.2
133.06508	2.7
134.09666	2.5
135.04442	6.3
136.07578	6.4
137.05951	1.4
137.13260	1.8
139.07523	0.7
140.07043	1.9
141.07884	1.3
143.08556	1.0
146.09691	1.4
147.04466	0.6
148.07564	1.3
148.11250	0.8
149.08377	1.6
150.09160	1.7
154.08620	1.7
155.14287	1.2
157.10062	0.7
159.07973	0.7
160.07567	0.8
160.11295	1.0
161.05984	2.8
162.09142	4.4
165.05467	1.6
166.08678	0.7
167.07069	3.5
167.09422	1.1
167.14328	1.4
170.09567	0.7
171.07993	0.7
173.08263	0.8
173.15367	1.5
174.09149	2.2
176.10696	2.4
179.04842	2.3
180.10187	19.6
183.04790	1.3
184.07527	0.7
184.11166	0.8
185.15352	1.4
186.09135	2.6
187.07509	1.8
188.10732	2.3
190.08609	0.7
193.45168	0.7
199.07605	0.8
200.10744	0.7
202.08548	1.7
202.12263	1.7
204.10236	2.9
206.11751	1.4
207.13821	1.6
210.12865	0.8
211.11307	0.7
214.08598	1.6
214.12236	4.2
215.07028	1.5
216.10231	1.2
216.13821	2.1
222.11253	0.8
228.10188	0.6
228.13786	1.6
232.09673	17.7
232.13220	6.1
234.11200	2.7
234.14925	2.7
238.12291	1.6
239.10837	0.9
244.13326	1.4
244.56401	0.7
246.11320	0.7
246.14798	1.2
250.10727	19.9
254.11646	0.8
256.13287	6.2
264.12311	4.0
272.12796	1.6
274.14337	3.5
284.12766	13.7
302.13861	27.3
303.14194	0.7
316.15436	3.0
320.14886	23.8
334.16434	13.9
352.17526	100.0
353.17810	2.2
385.18094	1.6
496.21530	0.9
514.23090	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	514.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	13.8
57.76571	2.0
59.05004	8.6
67.05525	4.7
67.83469	2.1
69.03432	59.0
69.07068	4.0
69.48781	7.5
71.04993	8.2
73.02916	4.2
79.05505	7.3
81.03419	3.5
81.07056	28.5
82.42428	2.4
85.02902	46.6
85.06533	6.3
87.04466	41.2
92.56291	2.3
93.07061	10.0
95.04970	4.7
95.08605	12.9
97.02893	63.9
97.06533	7.5
97.10186	2.3
98.22628	3.1
103.69501	2.3
105.07021	4.2
107.08604	5.6
109.06512	2.4
109.10192	4.0
111.08096	2.2
115.03929	69.8
121.10142	73.3
123.11695	26.6
125.05997	13.2
127.03917	6.9
127.07539	2.6
133.04959	69.5
136.06171	3.6
137.09648	3.6
139.11197	24.2
145.04970	9.9
149.09619	10.3
155.10690	9.3
156.24010	2.3
163.06055	3.2
167.10678	100.0
173.11737	5.1
179.03415	5.0
185.11729	78.6
194.98296	2.4
203.12772	5.4
220.11967	3.4
245.11739	2.2
259.08154	5.3
263.12888	2.9
273.27655	2.7
281.13708	3.5
291.65701	2.4
295.10315	2.6
299.14865	9.8
317.16022	9.5
329.15811	6.8
514.15912	19.4
514.22479	3.1
524.95569	2.6
530.86816	2.3
532.19537	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	514.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.3
55.05522	1.8
56.33096	1.1
57.03427	3.0
59.05009	1.9
61.02928	3.1
65.12700	1.0
65.34732	1.0
67.05501	8.2
69.03432	9.3
69.07067	10.5
69.70592	3.3
71.04993	3.0
73.02898	5.4
76.02241	1.1
79.05511	5.6
81.03411	3.8
81.07057	100.0
83.08640	3.1
85.02908	35.9
85.06551	4.9
86.06087	1.3
87.04473	2.1
91.03967	1.9
91.05492	1.9
93.07055	3.0
95.04948	1.5
95.08606	37.9
97.02895	10.1
98.23330	1.7
99.04471	1.9
99.08100	4.7
105.07018	1.2
107.08619	2.6
109.02886	3.2
109.10182	2.7
111.11724	2.6
115.03932	2.3
121.06538	2.1
123.11720	3.5
125.09591	1.2
127.03918	8.4
133.04951	2.8
137.05978	3.2
137.13257	47.7
138.13573	1.4
145.04968	11.1
149.13278	3.3
152.06979	1.2
155.14304	23.6
162.29622	1.0
163.03914	3.5
163.06027	6.4
167.14355	6.5
173.15361	7.3
180.10217	1.6
181.04967	3.7
185.15395	14.8
203.16412	4.4
250.10800	1.3
264.08487	1.3
281.17484	1.2
334.16626	1.5
335.07529	1.5
352.17603	3.9
416.12680	1.4
514.20483	2.2
534.83179	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01883	1.1
55.05504	3.1
57.03435	2.2
57.07075	2.2
59.04995	2.2
60.98208	0.9
61.02924	2.5
67.05504	6.7
68.09936	0.9
69.03445	8.8
69.07067	5.9
71.04983	1.8
71.67564	1.0
73.02916	3.2
79.05496	5.0
81.03423	5.1
81.07057	100.0
83.08649	1.1
85.02907	37.5
85.06520	1.8
87.04442	1.5
91.03968	2.3
91.05481	1.1
91.89034	1.0
93.07037	3.6
95.08605	56.2
96.08943	1.0
97.02905	9.7
97.10172	7.6
99.04476	2.2
99.08088	1.6
105.07021	1.9
107.08595	2.0
109.02879	5.0
109.10168	4.5
111.11716	3.2
115.03940	1.1
123.11691	1.9
127.03917	9.5
133.04947	1.5
137.06009	1.6
137.09631	5.1
137.13249	68.8
145.04953	14.0
146.09927	1.2
149.13228	2.4
153.01884	1.2
155.14307	39.8
163.03862	1.3
163.05989	8.9
165.09120	4.2
167.14459	2.2
173.15384	34.4
177.12802	0.9
181.04955	9.8
185.13672	1.0
185.15317	5.6
203.16469	1.7
215.56985	0.9
263.16522	1.6
309.13205	1.6
325.11209	1.6
335.07617	1.5
514.19452	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.1
55.01865	1.6
55.05518	1.6
57.03430	2.8
57.07064	1.9
59.04996	1.8
61.02933	2.7
65.03902	0.9
67.05505	7.3
69.03428	5.6
69.07068	9.5
69.54725	2.6
71.05006	1.1
73.02907	1.8
77.93260	0.6
79.05489	5.4
81.03410	2.2
81.07056	100.0
83.04945	0.7
83.08613	1.8
85.02904	26.0
85.06540	2.5
87.04475	0.8
93.07041	2.4
95.08604	33.0
97.02896	7.7
97.10188	0.8
99.04465	0.8
99.08109	4.0
100.04842	0.6
105.07067	1.7
107.08627	1.4
109.02892	2.8
109.10174	2.0
111.11731	4.2
115.03999	0.7
119.08612	1.3
121.10175	0.9
123.11701	1.1
127.03923	5.6
133.04953	1.2
137.06078	0.8
137.13251	46.9
138.13611	1.1
143.08690	0.6
145.04967	10.2
147.11685	1.3
149.13246	1.4
155.14305	22.2
159.11703	0.9
163.03900	1.2
163.06009	6.7
164.04289	1.1
167.14334	1.6
173.15414	2.8
181.04962	2.1
182.08511	0.9
185.15442	2.6
203.16417	1.1
232.36142	0.7
239.16280	0.8
263.16489	1.9
264.08838	0.8
281.17456	1.0
299.12085	1.0
299.18774	0.9
301.50073	0.7
317.19440	0.9
325.11313	1.3
327.86621	0.6
343.42349	0.7
352.13409	0.8
352.17374	0.8
380.20456	0.7
464.59558	0.7
475.17511	0.8
514.18872	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	5.6
62.91870	1.1
67.63416	1.1
69.83863	4.0
84.96046	1.5
85.02886	1.5
93.98471	1.3
97.02882	1.2
98.97583	10.5
100.99128	2.6
110.97543	4.2
116.98589	2.9
121.01646	1.2
128.98601	4.5
131.00157	3.9
140.98598	3.2
143.00117	2.0
143.01915	2.6
145.03484	2.4
146.99687	2.5
149.01292	5.5
152.98561	1.4
154.13562	1.3
155.01868	2.0
158.95874	1.0
158.99677	3.1
161.01176	1.2
161.02893	1.4
169.03621	1.2
170.99582	5.4
172.97578	3.1
173.02896	2.0
177.00726	2.4
182.99646	3.4
185.02916	2.9
187.02666	1.4
189.00757	2.5
190.98563	5.6
191.02264	1.4
191.03905	1.4
201.00700	7.5
208.99716	3.9
214.98578	2.7
215.04016	1.3
217.03882	1.3
219.01756	7.3
232.99739	5.7
237.02812	3.9
243.01741	2.2
245.05110	8.7
247.04857	2.1
251.00620	1.7
254.40488	1.2
261.02859	7.1
263.00571	1.7
279.03827	3.2
293.01959	1.9
293.05359	4.7
305.07111	1.8
311.06296	2.1
317.01825	2.4
321.04733	3.5
334.35690	1.2
335.02811	3.9
335.08353	1.4
353.03735	2.4
365.09012	2.6
381.06775	3.2
399.07880	2.6
455.10565	8.2
497.07776	1.1
515.11285	100.0
516.11377	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	515.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84070	3.1
55.01886	7.3
56.96570	7.5
57.03432	3.9
61.02926	9.8
69.03445	20.9
73.02916	6.4
79.05510	12.2
80.37265	3.5
81.03429	12.1
83.05001	3.8
85.02911	56.2
85.73991	2.8
91.03921	3.5
91.05489	8.0
95.04977	7.7
95.08649	4.2
97.02904	21.4
98.97598	11.0
105.03393	3.9
105.07027	4.8
107.04960	8.1
109.02874	7.4
111.04401	3.7
115.05463	8.5
116.98653	4.8
117.07005	5.4
123.04409	18.1
127.03924	12.3
129.07030	13.3
131.04948	12.0
131.08571	8.3
133.06506	24.4
135.04428	6.1
137.06029	5.4
139.03874	5.3
141.06976	8.5
143.04996	4.9
145.04985	6.6
145.06509	7.5
145.10106	4.5
147.04427	9.9
149.01247	7.7
151.03909	10.8
153.05510	9.4
153.06934	6.2
155.08582	16.4
157.06485	10.2
157.10143	4.0
158.99698	4.7
159.04440	12.7
159.08070	7.6
160.05200	4.8
161.01222	4.4
161.05984	14.0
163.03963	20.9
165.05492	32.1
165.07013	18.7
167.08611	8.0
169.06398	7.2
173.06036	10.5
173.09610	6.5
175.07587	7.0
177.05511	17.0
181.04964	9.7
181.06419	5.3
183.08054	24.8
185.06006	11.0
185.09648	4.0
187.03938	12.0
187.07562	5.5
189.05496	4.4
191.07059	6.8
193.06435	5.8
195.08134	4.5
197.05981	7.5
201.05501	5.3
201.09088	30.7
203.07022	6.3
205.04982	9.7
211.07536	37.0
213.05507	9.2
213.09094	8.8
215.07030	7.3
219.01749	4.3
219.06549	5.4
221.06075	5.6
222.82455	3.5
229.08598	35.8
231.10143	5.8
237.02846	4.3
239.07120	20.2
241.08540	3.9
247.09674	20.1
257.08044	24.0
259.09680	10.2
275.09058	40.6
277.10773	5.0
285.07452	6.5
289.10687	6.4
293.05417	7.2
293.77899	4.4
303.08624	30.9
307.11780	15.5
321.09708	72.1
335.11221	91.4
336.11673	4.3
339.10718	90.3
353.12299	68.5
357.34409	4.9
417.10162	3.8
455.10825	9.6
497.84723	3.7
515.11090	15.4
515.17633	100.0
516.17023	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	515.2633
Annotation	Isororidin E
Peak:m/z	Relative Intensity
57.03443	0.2
67.05511	0.4
78.04224	0.2
79.05504	0.3
81.07050	0.4
82.95865	0.2
86.09705	0.4
94.41183	0.2
104.99264	0.3
107.08581	0.3
109.06497	0.2
113.00039	0.8
135.08043	0.2
170.33708	0.2
179.14346	0.2
184.07413	1.0
224.27991	0.2
259.87134	0.2
329.24771	0.6
340.19901	0.5
373.09085	0.3
403.28619	0.6
455.17236	0.3
487.26645	0.7
515.26294	100.0
516.26483	3.5
523.46674	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17612	0.2
56.17830	0.2
57.35054	0.2
62.98260	0.3
67.05482	0.3
67.24726	0.2
69.24479	0.5
69.24876	0.4
76.30084	0.2
79.05487	0.2
81.07052	0.4
81.23328	0.2
91.05499	0.3
98.23441	0.4
135.83662	0.2
162.62733	0.2
185.04170	0.3
187.39432	0.2
205.15958	0.3
211.34595	0.2
242.29608	0.2
244.94322	0.2
259.12933	0.4
273.14554	0.4
287.16071	0.2
313.27130	0.3
343.82404	0.2
427.09137	0.2
492.40430	0.2
515.31964	100.0
516.32288	3.3
535.21643	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	515.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.2
57.07063	0.2
69.07076	0.2
69.71441	0.4
77.87974	0.2
81.07024	0.3
83.08615	0.2
85.22382	0.2
91.46427	0.2
94.15190	0.2
95.08622	0.2
98.22752	0.4
103.65453	0.2
115.03703	1.1
163.17358	0.2
259.07834	0.4
263.74680	0.2
267.12042	0.3
311.25705	0.2
312.26175	0.9
313.27377	0.6
423.27264	0.3
515.31915	100.0
516.32312	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15432	0.2
57.07071	0.3
64.67667	0.3
67.05510	0.4
68.56933	0.3
71.45531	0.3
79.05494	0.6
81.07069	0.6
83.08654	0.3
93.07050	0.3
95.08594	0.5
97.10217	0.4
105.07065	0.3
111.34893	0.2
115.03717	0.4
116.91499	0.2
119.08564	0.3
131.37962	0.3
197.66417	0.3
223.29128	0.3
239.08820	1.5
267.11978	0.4
312.26035	0.3
313.27332	0.9
497.31912	0.4
513.30475	0.3
515.31909	100.0
516.32257	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16933	3.8
53.03933	5.1
55.05506	19.3
57.03431	5.1
61.22066	4.0
62.80902	3.7
67.05504	90.4
69.02061	4.0
69.07052	20.9
71.04955	4.2
71.45211	4.2
79.05487	61.7
81.07053	100.0
83.08620	13.3
91.05483	35.2
93.07043	76.8
95.04970	5.2
95.08005	6.9
95.08588	65.4
97.06509	5.5
99.08141	5.2
105.07011	29.5
107.08600	44.6
109.06512	5.4
109.10143	35.3
117.06995	9.7
119.08599	23.3
121.10132	35.7
123.07999	3.9
123.11681	13.1
131.08537	21.6
133.10130	22.4
135.11699	21.6
137.13231	6.4
138.96497	3.8
145.10164	22.7
147.11693	12.5
149.13242	22.5
159.11635	21.7
161.13232	15.3
163.14830	15.7
172.95268	5.9
173.13272	18.2
177.12883	4.4
177.16331	4.6
187.14832	7.3
190.96362	4.8
193.18285	4.2
210.97670	6.0
243.21057	29.4
261.22113	99.2
280.19455	4.2
335.25790	15.9
353.26868	19.7
515.29504	73.8
516.23792	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	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.4
55.05510	23.9
57.03432	8.7
57.82018	4.0
60.25201	4.2
67.05503	97.6
69.03420	5.1
69.07053	20.5
79.05488	57.1
81.07056	100.0
83.04987	5.3
83.08614	11.7
85.02911	9.3
91.05477	35.7
93.07048	66.2
95.04949	9.6
95.08597	93.3
99.08127	5.6
105.07039	33.5
107.08599	41.1
109.06512	9.3
109.10142	43.0
111.08051	4.4
113.00024	14.9
117.07020	13.5
119.08567	30.3
120.02618	4.7
121.10137	38.0
123.11705	20.7
129.07051	6.7
131.08585	26.3
133.06540	3.6
133.10126	19.8
135.11685	28.2
137.13313	6.5
142.36917	4.2
145.10101	20.3
147.11703	14.4
149.09621	4.7
149.13287	26.4
152.18526	4.6
159.11714	22.0
161.13269	11.6
163.11127	5.9
163.14822	14.6
165.12836	5.0
173.13275	18.6
175.14825	8.4
176.44598	3.9
179.14313	5.8
184.07402	11.8
187.14847	8.5
243.21149	29.1
261.22150	86.8
261.24899	4.4
272.68872	3.9
285.21951	4.6
335.25647	26.7
353.26929	19.8
369.24380	7.4
403.28317	10.1
415.29382	5.8
419.27832	6.5
455.54837	4.4
497.30930	8.3
515.26361	52.8
515.29932	54.0
518.86902	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08321	1.2
53.03952	2.0
54.41908	1.3
55.01881	1.6
55.05512	18.5
57.03445	7.9
57.07071	5.4
61.02924	2.7
62.77436	1.1
65.03934	4.2
67.05505	88.0
68.05885	1.2
69.03421	3.3
69.07060	15.3
71.04993	3.0
73.02925	1.7
75.04487	1.9
79.05493	56.3
80.67088	1.3
81.03406	1.7
81.07057	100.0
83.04991	1.9
83.08621	10.8
85.02901	5.0
85.06559	2.3
91.03989	2.0
91.05481	28.3
93.07046	61.9
93.39040	1.4
95.04964	4.3
95.08607	75.6
97.02867	2.2
97.06540	3.3
97.10179	5.6
99.08094	3.4
103.03951	1.3
105.04512	2.5
105.07025	24.7
107.08593	40.8
109.06520	4.9
109.10162	38.5
111.08121	2.0
111.11691	1.3
113.09623	2.2
115.05518	1.4
117.07012	11.3
119.06043	1.5
119.08581	19.9
121.10139	39.8
121.10985	2.2
123.08068	1.5
123.11720	18.2
125.09669	1.7
126.07972	1.3
127.03939	2.5
129.05486	2.4
129.06927	1.3
131.08569	23.0
133.10121	14.6
135.11694	30.6
137.09605	2.6
137.13242	7.5
139.11211	1.6
145.10132	16.1
147.11674	12.7
149.09627	2.5
149.13266	20.8
151.11212	1.6
151.14832	3.1
152.67474	1.2
159.11688	15.6
161.13242	11.9
163.11218	2.6
163.14809	15.7
165.12781	2.6
171.11629	2.3
173.13268	17.4
175.14812	3.2
177.12752	2.0
177.16370	6.0
179.14305	3.1
187.14821	10.3
189.16452	1.6
191.14362	1.9
201.16367	4.2
205.15762	1.4
215.17970	1.7
229.66263	1.2
233.22580	2.5
243.21074	30.2
261.22134	85.1
263.23642	1.2
279.23141	5.3
303.22806	1.7
335.25830	26.4
353.26859	18.0
369.24283	1.5
403.81610	1.1
497.31155	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	516.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94603	0.6
53.03945	0.8
55.05507	25.1
57.03429	1.2
57.07074	22.0
61.02917	2.2
67.05497	0.7
69.03428	3.9
69.07064	24.6
70.36170	1.3
71.08627	5.7
73.02884	0.6
74.64168	0.6
79.05479	0.9
81.03423	1.9
81.07055	7.5
83.08617	100.0
85.02902	22.3
85.03415	1.3
89.03920	2.0
91.03909	1.2
97.02881	5.7
97.10168	19.6
99.04449	1.0
101.09663	1.0
109.02885	1.9
111.11741	1.1
113.13303	1.2
116.30960	0.7
117.03373	3.1
124.62470	0.6
127.03905	5.1
131.43961	0.6
134.77722	0.7
135.04410	4.4
139.14825	2.3
145.02867	3.0
145.04950	8.6
149.06004	0.8
157.15871	49.1
158.16220	1.3
163.03896	22.0
163.05927	4.4
175.16930	73.0
176.17274	0.8
177.05522	0.7
202.72383	0.6
219.97234	0.6
279.85605	0.7
325.11148	0.8
325.57669	0.7
337.22314	1.1
354.18433	0.9
517.16559	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	516.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.0
57.07065	0.7
59.05003	1.2
67.05490	1.3
69.03438	0.9
69.07073	7.9
69.74994	2.8
71.05001	1.2
72.08171	0.8
76.18149	0.7
79.05488	2.8
81.03411	0.7
81.07056	7.0
83.05027	1.2
83.08619	1.5
85.02902	4.8
85.06555	1.1
91.05473	3.1
91.16547	0.7
93.07030	5.7
95.08611	6.8
97.02884	1.3
98.97548	1.1
99.04475	0.8
105.07018	8.3
107.04954	4.2
107.08601	6.6
109.02891	0.7
109.06532	1.6
109.10175	4.8
110.97594	1.1
111.08047	1.4
117.06978	1.5
119.08583	6.2
121.06484	1.4
121.10152	5.1
123.08076	1.3
123.11700	2.6
125.09573	0.9
129.06978	1.1
131.04967	1.0
131.08589	5.6
133.06480	1.1
133.10118	6.1
134.05991	3.6
135.08034	1.7
135.11659	1.6
137.09683	1.2
143.08557	4.7
145.04935	0.8
145.10115	8.7
147.04390	1.0
147.11667	4.4
148.07544	1.1
149.09665	1.5
149.13249	2.0
151.11159	1.5
155.08553	2.0
157.10124	6.9
159.11687	15.2
161.09564	1.0
161.13231	4.0
163.03928	2.5
163.11214	2.0
163.14830	1.3
165.12881	1.0
168.09077	0.8
169.10127	4.5
171.11716	6.0
173.13257	2.9
173.72670	0.6
175.11267	1.6
178.08638	1.0
181.10187	0.9
183.11740	5.6
185.13231	6.0
187.13356	1.2
187.14821	6.0
189.12762	1.9
191.14264	1.1
195.11685	2.1
196.09671	4.7
197.13260	4.0
199.14807	8.0
201.12830	0.8
201.16417	2.0
209.13300	2.0
211.14861	2.2
213.16293	3.5
217.15907	1.2
219.01793	0.9
223.14905	1.5
225.16391	4.3
227.14319	2.1
227.18034	0.8
231.17433	0.9
236.09151	3.1
237.16385	3.3
239.17906	4.5
241.15955	1.0
241.17183	0.9
241.19473	9.7
243.17485	3.5
255.17429	2.0
255.21088	4.2
257.19006	2.8
259.20505	1.3
261.18396	0.9
263.16214	0.9
264.60339	0.8
265.19485	5.0
271.20551	0.9
273.22202	1.1
275.20093	9.6
283.20566	22.5
301.21649	25.3
319.22678	29.3
324.08243	1.0
337.23715	100.0
338.23981	2.2
342.09457	0.8
371.16107	4.4
417.16113	1.7
456.12656	4.8
516.23547	11.8
517.22736	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	517.1341
Annotation	1,3-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
60.20736	0.3
60.38157	0.4
63.02369	0.9
69.70857	0.5
69.71230	0.8
79.05486	1.8
89.03912	8.5
95.04955	0.8
107.04978	2.6
117.02567	0.8
117.03384	12.2
132.56865	0.4
135.04413	19.8
137.06000	0.5
140.94019	0.4
145.01691	0.8
145.02847	15.0
163.03897	100.0
164.04219	1.2
181.04898	0.4
242.66902	0.4
319.08075	2.3
337.09036	0.7
496.85901	0.4
499.12125	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
55.05507	1.4
57.07066	0.7
62.50848	0.2
63.02386	0.6
67.05502	0.3
69.03428	0.5
69.07064	1.4
69.27732	1.2
71.08636	0.3
73.92638	0.2
79.05478	1.5
81.03403	0.2
81.07063	0.4
83.08616	4.0
84.08956	0.5
85.02895	2.0
89.03912	9.5
90.04337	0.2
95.04965	1.0
97.02897	0.4
97.10169	1.3
105.04494	0.4
105.06979	0.3
107.04944	2.7
107.08646	0.2
111.04412	0.2
117.03381	11.8
127.03902	0.5
135.04411	20.2
136.04762	0.3
145.02844	13.7
146.05975	0.3
157.15866	2.7
157.89951	0.2
158.16183	0.3
163.03894	100.0
164.04237	0.8
175.16899	2.0
176.17242	0.4
181.04955	0.4
205.12225	0.3
223.13347	0.2
319.08099	3.0
335.09186	0.2
337.09064	0.7
499.12338	2.8
517.22955	1.2
517.29291	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	517.1493
Annotation	Gericudranin A
Peak:m/z	Relative Intensity
57.03415	0.5
57.33255	0.4
57.98786	0.6
58.99587	4.3
61.02910	0.9
65.03950	0.5
68.05022	0.9
69.03418	1.8
69.13839	1.5
69.14253	1.0
71.04957	0.6
73.02930	0.4
75.02691	0.6
79.05466	1.2
81.03400	1.0
81.07040	1.1
85.00623	0.5
85.01127	7.3
85.02898	2.8
86.00652	23.1
86.99019	0.4
88.02197	0.5
93.07022	1.3
95.04967	9.8
97.02898	4.2
97.06500	0.6
100.02216	4.1
102.03761	8.7
104.86654	0.4
105.04520	0.6
106.06556	0.5
107.04973	2.9
108.04441	1.2
109.02865	0.8
111.02637	0.5
116.01654	1.0
119.04948	0.9
120.04429	0.5
121.05217	0.5
121.06537	1.9
123.04429	2.1
124.03959	6.7
124.07521	0.7
125.05991	0.9
127.03900	0.6
133.06479	0.4
135.02670	0.4
135.04419	3.6
136.07581	0.4
138.03729	0.6
144.01105	0.6
144.08069	0.5
145.02844	0.5
145.04965	0.6
147.04364	0.7
148.07518	0.7
149.05968	0.9
150.05510	1.4
151.03902	13.0
153.03639	0.7
153.05475	2.5
154.03198	2.7
157.04321	0.5
157.12288	0.5
162.02191	0.7
163.03917	2.1
164.01614	1.4
164.05327	2.1
166.03201	1.1
177.05437	0.6
178.06779	0.5
180.01141	0.9
181.03168	4.4
182.02702	31.8
182.06261	1.0
184.04288	1.3
187.13278	0.6
188.05409	0.5
193.04979	0.9
200.03360	0.4
203.04878	1.5
206.06262	2.0
210.02208	2.9
216.04695	0.6
222.13431	0.6
223.13326	0.6
224.07402	10.7
224.09218	0.4
234.05836	3.5
252.06891	100.0
253.07178	1.6
266.76605	0.4
280.06375	87.4
281.06659	1.2
289.20679	0.4
355.09525	2.5
414.12042	1.3
442.11694	11.9
495.09610	0.4
511.31598	0.5
517.18127	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
57.03432	0.4
61.02914	1.0
63.02378	0.3
63.20290	0.2
69.03432	2.2
70.93610	0.3
70.94685	0.3
72.83452	0.3
73.02940	0.3
79.05482	0.8
81.03409	1.0
81.95608	0.3
85.02910	6.7
86.00654	0.3
89.03922	4.0
91.03931	0.3
95.04984	0.6
97.02885	2.0
99.04441	0.6
103.68229	0.2
107.04988	1.3
109.02879	0.5
111.04428	0.3
117.03388	6.3
127.03905	1.3
135.04422	12.6
139.03883	0.3
145.02855	9.3
145.04945	1.7
158.85081	0.2
163.03903	100.0
164.04233	1.2
182.02725	0.9
252.06892	2.7
280.06418	2.1
325.09274	0.4
340.14627	0.3
517.18823	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92344	0.2
63.02376	0.3
64.88160	0.2
66.79352	0.2
69.03422	1.3
69.98955	0.6
70.06583	0.3
73.77857	0.2
73.97413	0.2
79.05490	0.6
81.03438	0.2
83.04997	0.2
85.02911	1.0
86.00674	0.5
89.03919	4.5
95.04976	0.9
97.02879	0.6
98.22797	0.2
102.03761	0.2
105.04497	0.3
105.46871	0.2
107.04964	1.5
109.02839	0.3
117.03387	6.3
124.03976	0.3
127.03911	0.9
135.04419	13.4
145.02852	10.8
151.03868	0.3
154.03250	0.2
163.03906	100.0
164.04245	1.2
181.04988	0.7
182.02728	0.8
194.18781	0.2
224.07393	0.4
252.06917	2.7
280.06348	2.4
307.08261	0.9
325.09164	0.8
337.09058	0.4
410.38211	0.2
442.11691	0.3
517.12274	0.3
517.18915	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	517.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36332	1.1
70.06606	0.3
71.53194	0.3
85.02919	0.4
86.00652	0.8
89.03895	0.3
95.04958	0.8
105.37142	0.2
123.62989	0.3
124.03939	0.3
128.47031	0.3
135.04405	0.5
145.02821	0.4
145.19714	0.3
151.03899	0.8
163.03888	2.5
182.02647	1.3
223.02777	0.4
224.07420	0.4
252.06880	3.9
280.06409	3.7
301.09045	0.6
384.64832	0.3
385.14819	1.3
409.76813	0.3
433.13156	4.8
442.11392	0.4
472.09454	0.3
487.17685	2.2
517.18866	100.0
518.19171	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	517.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.1
55.01870	2.8
55.05511	9.0
57.03436	4.7
57.07072	2.9
58.27953	0.8
65.47823	0.9
67.05499	13.3
69.03440	1.3
69.07069	10.5
69.58382	2.3
69.58762	2.4
71.04973	2.1
71.08623	6.1
75.04479	1.4
79.05492	10.1
81.07053	17.8
83.04987	1.3
83.08636	6.4
85.06546	1.4
85.44730	1.0
86.09707	3.0
91.05478	5.9
93.07041	11.9
95.04961	2.7
95.08604	15.3
97.06525	3.6
97.10126	1.7
98.98480	1.1
99.08110	3.4
104.10763	1.3
105.07016	9.9
107.04980	1.1
107.08603	10.7
109.06510	13.4
109.10164	6.8
111.08088	2.5
113.00013	100.0
117.07016	2.0
118.01871	1.0
119.08573	12.0
121.06496	1.6
121.10153	9.1
123.08061	25.2
123.11703	2.4
125.00000	1.3
125.09637	2.8
131.08595	3.9
133.10141	10.0
135.08041	13.5
135.11716	3.6
137.09633	2.0
143.08582	2.0
145.10118	6.5
145.11090	1.0
147.08046	1.6
147.11703	6.2
149.09624	4.3
149.13289	3.8
154.94206	1.6
157.10117	1.8
159.11713	2.7
161.13245	1.2
163.11188	2.3
164.77727	1.0
165.12766	3.1
167.14330	3.1
169.02620	1.9
171.11668	1.2
172.95216	1.1
173.13264	1.6
175.11288	1.7
175.14812	10.0
177.12701	5.3
179.14307	36.4
184.07341	8.6
187.03670	12.4
187.14877	1.4
191.14330	2.4
193.15889	2.1
205.15848	4.3
231.15781	1.1
233.18947	1.7
263.20065	2.7
275.20065	2.5
276.89032	1.0
289.21701	8.8
289.24890	1.5
291.19623	5.9
293.21271	2.1
303.26846	3.8
313.25354	1.1
314.02939	1.4
331.26285	55.7
332.26620	1.8
347.25864	2.0
349.27371	11.0
361.27429	1.4
369.27783	2.7
375.28836	3.2
387.28915	8.3
388.53397	1.1
405.29990	89.9
406.29959	2.1
474.20111	3.1
497.21851	1.2
499.28186	3.7
501.62430	1.0
517.29669	9.5
517.35779	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01862	3.4
55.05259	1.3
55.05510	15.4
55.86525	1.2
57.03416	1.4
57.07086	1.2
58.05475	1.2
65.03942	3.4
67.05504	33.6
69.03408	1.8
69.07064	13.9
69.37234	5.6
71.04981	3.7
71.74193	1.0
76.52737	1.2
77.03911	1.3
79.05492	47.2
79.05952	2.6
81.03428	5.5
81.07055	71.3
83.04964	6.8
83.08625	11.5
85.06535	3.9
91.05479	45.5
91.06058	2.1
93.07042	48.6
95.04969	19.3
95.08601	23.1
95.09206	1.5
97.06537	5.8
97.10159	3.1
99.08076	1.1
105.04521	4.0
105.07027	35.7
107.04964	10.0
107.08585	18.6
109.06519	28.4
109.10136	7.4
110.19492	1.0
111.08090	4.4
113.00037	5.7
117.07013	8.6
119.08578	29.5
121.06491	5.8
121.10151	10.7
123.08062	8.3
123.11725	2.8
128.06201	1.9
129.07011	11.0
131.08566	9.5
133.10127	18.1
135.08044	5.3
135.11697	4.7
137.09621	4.3
141.07022	1.3
143.08574	6.7
145.06500	2.3
145.10130	15.0
147.08064	2.8
147.11679	29.9
149.09622	6.7
149.13228	6.5
151.11182	3.6
155.08556	1.6
157.10123	3.6
159.11717	6.8
161.09628	3.4
161.13226	8.8
163.11208	5.3
163.14810	2.7
165.12772	5.1
169.10078	1.5
171.11681	21.4
173.09665	1.6
173.13174	5.2
175.11185	2.0
175.14816	1.5
177.12775	2.6
179.14346	2.7
183.11703	2.5
187.11124	2.1
187.14856	1.8
189.12738	10.6
191.13994	1.1
193.12311	3.4
195.00240	1.5
197.13193	1.9
207.13791	21.8
215.14294	1.6
219.13762	2.4
223.13229	3.1
225.14828	2.0
229.19505	3.2
239.17931	2.6
247.20610	5.7
257.19022	10.6
275.20053	100.0
276.20471	3.5
293.21094	25.4
331.26315	3.0
331.85864	1.2
405.29953	3.4
484.13962	1.3
517.36749	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	517.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.7
53.03943	3.7
54.22663	0.5
55.01871	4.6
55.05510	24.8
56.16525	0.4
57.03425	1.5
57.07067	0.5
65.03930	1.9
67.05502	30.1
69.03417	1.2
69.07063	11.8
69.53953	2.2
71.04992	2.7
73.06551	0.8
77.03926	1.6
79.05492	34.1
80.20527	0.5
81.03416	8.5
81.07054	31.6
83.04985	8.4
83.08619	26.0
85.02914	1.4
85.06547	2.6
87.04469	0.8
87.08126	0.6
91.05479	37.2
92.05785	0.6
93.03363	0.6
93.07043	38.9
94.07363	0.7
95.01321	0.5
95.04968	33.0
95.08604	19.5
97.06535	6.4
97.10176	5.7
99.08075	1.0
103.05447	0.9
105.03392	0.6
105.04507	1.9
105.07027	33.9
107.04958	10.4
107.08595	18.8
109.06511	8.0
109.10148	7.5
109.75381	0.5
111.04422	0.8
111.08082	5.7
113.00026	1.8
113.09627	0.7
115.05462	0.9
117.07014	12.3
117.07801	1.0
119.06011	0.6
119.08578	27.2
121.06496	4.5
121.10137	14.2
123.08071	5.1
123.11716	2.6
125.09633	5.3
127.07541	1.0
128.06233	1.2
129.06996	7.3
130.07811	1.1
131.07664	0.7
131.08574	12.0
131.17444	0.5
133.06490	1.5
133.10126	21.9
135.08046	4.6
135.11702	6.4
137.09587	2.6
137.76961	0.5
139.11154	1.2
141.07013	1.5
141.09091	0.9
143.08565	5.0
145.06462	1.6
145.08972	1.1
145.10118	23.1
147.08060	3.3
147.11684	25.7
148.12120	0.5
149.09612	20.3
149.13264	1.6
151.11198	3.5
153.09131	1.1
154.07828	0.6
155.08565	3.5
157.10118	3.4
159.08109	0.7
159.11696	10.6
161.09616	3.5
161.13266	6.8
163.11179	24.8
163.14879	1.0
165.12746	4.6
169.10143	2.5
171.10181	0.7
171.11674	14.1
173.09618	4.6
173.13246	4.3
175.11195	2.0
175.14861	1.3
177.12741	3.0
179.14290	1.9
179.28914	0.6
183.11678	2.7
185.13254	1.4
187.11194	2.5
187.14796	1.2
189.11205	4.1
189.12767	6.3
191.10631	0.9
191.14305	1.2
193.12192	1.0
197.13310	2.8
201.12793	1.2
205.12219	3.4
207.13797	21.2
211.14824	0.9
213.16380	1.0
215.14322	1.3
215.17868	1.1
219.13849	1.1
223.13287	20.8
225.14871	1.4
229.15950	0.8
229.19565	3.8
233.15359	0.8
233.18877	0.7
239.17961	11.1
247.20619	2.6
257.18985	16.4
275.20056	100.0
276.20410	3.9
293.21097	54.7
294.21460	1.8
317.49658	0.5
331.26202	1.1
405.29837	1.2
499.34210	0.7
517.30249	1.7
517.36371	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	518.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38829	0.5
53.03948	1.3
55.01866	2.0
55.05518	2.1
56.23836	0.5
57.03437	18.7
57.07065	0.8
59.05000	3.3
60.04524	1.8
61.02925	6.1
66.48528	0.6
67.05505	2.2
69.03429	54.2
69.07069	1.3
69.22913	3.2
70.03772	0.5
71.01361	1.4
71.04994	2.0
73.02920	15.7
75.04498	0.7
77.03934	2.0
79.05494	22.9
81.03417	5.8
81.07040	3.4
83.04977	1.4
85.02905	73.5
85.06541	31.9
87.04469	31.6
87.05014	1.3
91.03974	4.3
91.05477	1.5
93.07057	1.6
95.04984	6.5
95.08612	1.6
97.02894	55.8
97.06516	1.2
98.22682	1.1
98.26829	0.6
99.04456	4.7
101.02361	1.0
103.03976	0.9
105.03392	34.5
105.04510	1.3
105.07003	1.5
107.04961	1.1
107.08595	1.7
109.02869	4.6
109.06526	3.2
111.04448	1.1
113.06033	0.6
115.03930	57.4
117.07019	1.0
117.84142	0.6
119.08582	0.7
121.06524	1.2
121.10215	0.6
123.04429	100.0
123.08043	1.8
124.04740	1.2
125.05917	0.8
127.03913	16.5
133.04965	47.0
135.08034	2.6
137.05984	0.8
141.05466	0.7
143.03387	0.9
145.04956	34.0
145.10233	0.6
147.08051	0.7
147.11755	0.6
150.07617	6.9
151.07513	1.6
153.09077	2.7
163.03909	1.1
163.06029	15.3
163.07449	1.6
165.09013	0.6
169.04971	1.1
169.08673	1.0
177.05522	0.8
181.08572	2.3
187.05983	0.9
189.09120	11.8
193.08522	0.7
194.22951	0.6
199.09653	7.1
207.10106	1.0
207.13763	0.6
211.09651	1.1
217.10712	1.7
219.06473	0.8
223.05986	1.3
229.10674	5.0
241.07033	1.7
247.11673	0.7
259.08060	2.3
277.09109	1.0
285.09662	6.6
287.99799	0.5
295.10165	1.4
396.36749	0.6
462.23468	0.6
518.21002	0.8
518.29791	3.5
519.30585	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21537	0.1
55.05500	0.1
56.05036	0.5
58.06618	0.5
59.07129	0.1
59.07369	0.1
60.08158	5.9
61.68220	0.1
67.05497	0.5
69.07065	0.2
69.79630	0.2
69.79982	0.1
70.06613	0.1
71.07368	3.0
77.33091	0.1
79.05486	0.4
80.97414	0.1
81.07056	0.3
86.09698	29.0
87.10038	0.2
91.05444	0.1
93.07026	0.3
95.08591	0.4
95.82370	0.1
98.22719	0.1
98.98456	2.9
104.10732	3.0
107.08590	0.2
108.38042	0.1
108.78353	0.1
109.10114	0.1
114.76720	0.1
124.99991	20.6
166.02737	0.1
184.07323	100.0
185.07703	0.6
203.82216	0.1
249.22243	0.1
258.10968	0.1
261.55878	0.1
284.58356	0.1
294.38260	0.1
300.65872	0.1
316.67670	0.1
335.25870	0.2
446.44510	0.1
500.31253	0.9
518.32410	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	518.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.0
56.05031	1.1
58.06595	2.1
60.08167	15.8
67.05489	2.1
70.16796	1.1
71.07374	5.7
79.05504	1.0
81.07045	1.8
86.09705	48.3
91.05497	0.6
93.07047	0.8
95.08595	1.3
98.98460	3.6
104.10744	95.2
105.11082	0.6
107.08589	0.8
121.10104	0.6
125.00002	28.2
159.64665	0.6
184.07341	100.0
185.07776	1.0
190.17099	0.6
250.45058	0.5
258.11035	1.2
500.31537	7.8
509.73370	0.6
518.32428	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.3
57.03436	2.4
57.07066	3.3
61.02915	3.0
67.05502	7.5
69.03418	6.6
69.07065	4.5
69.14571	10.7
69.14910	2.0
73.02901	2.2
79.05489	5.9
81.03407	3.1
81.07052	30.6
83.08615	2.4
84.08090	1.8
85.02901	23.4
87.04485	2.7
89.06017	3.5
89.74744	1.9
91.05460	5.9
93.07056	14.3
95.04962	5.0
95.08597	17.5
97.02892	8.9
97.10147	2.8
97.26453	2.0
99.04404	2.3
99.08102	2.0
105.07031	18.8
107.08588	15.2
109.02854	2.2
109.06494	3.6
109.10155	17.2
111.08106	2.6
115.03930	2.3
117.06972	3.4
119.08568	22.5
121.10140	16.0
123.08115	2.3
123.11681	3.7
127.03906	5.8
129.06995	1.9
131.08578	9.8
133.10144	13.3
135.04407	5.0
135.08038	5.9
135.11693	7.4
137.06000	3.6
137.09613	6.7
143.08548	6.5
145.02863	5.4
145.04913	9.2
145.10124	11.6
147.04395	6.5
147.11661	13.0
149.09598	3.3
149.13246	7.5
151.03917	4.1
151.11133	2.8
155.08473	2.7
157.10135	4.8
159.11684	11.1
161.13214	8.4
163.03911	36.4
163.06026	6.0
163.11201	3.4
163.14859	2.7
164.04228	6.1
165.09120	15.0
165.12791	2.6
169.10112	4.0
171.11664	10.7
173.13298	8.8
175.14787	4.3
177.05515	1.8
180.08693	9.4
183.11655	3.9
185.13197	7.9
187.14824	7.4
189.12737	15.6
189.45909	1.9
191.14340	7.0
197.13239	4.6
198.09685	19.3
199.14874	4.3
201.16397	4.6
203.17862	2.0
205.15872	13.8
207.13805	8.5
207.15933	9.5
209.15353	5.4
211.14821	6.4
213.16327	2.9
217.19478	1.9
224.09151	2.2
225.14647	4.0
225.16544	4.0
227.17967	9.8
229.15860	3.3
239.17863	2.5
241.19456	2.2
243.17419	1.7
243.20952	1.8
245.19011	2.5
255.21039	4.6
257.19110	2.5
257.22598	10.0
267.21085	30.1
273.22058	2.7
285.22110	100.0
286.22659	2.2
303.23169	71.9
321.24219	47.6
322.24582	2.0
326.78796	1.7
338.26877	3.3
399.20187	1.7
411.04272	1.8
411.39285	1.7
518.22522	11.1
518.29852	3.4
519.23920	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	519.1869
Annotation	Balanophonin 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01875	7.0
61.02910	2.8
65.03954	3.7
67.05521	2.5
69.03429	11.9
69.62618	1.8
71.04971	3.3
73.02924	3.6
77.03927	2.8
79.05505	7.3
81.03448	2.7
81.07070	5.4
85.02914	20.8
89.34655	1.8
91.05479	4.9
93.03395	3.0
93.07005	3.6
94.04179	4.6
95.04958	19.6
95.08604	3.2
97.02895	10.6
103.05489	7.6
105.03436	3.3
105.07047	5.7
107.04944	17.1
107.08622	3.3
109.02880	10.1
109.06519	5.0
109.10214	2.5
111.04415	2.2
115.05470	6.4
117.07063	2.2
121.06497	4.2
121.10239	2.7
122.03675	8.7
123.04446	5.7
125.02380	5.8
125.05991	4.4
127.03949	5.7
129.07034	4.6
131.04906	9.9
133.06534	2.6
135.08035	4.6
137.05980	100.0
137.09618	2.1
143.04906	2.5
145.04933	2.8
147.04388	3.3
149.05966	7.2
151.03911	24.6
153.05479	5.9
155.04961	2.5
159.08145	2.3
161.05954	13.7
163.03938	2.3
163.07539	12.0
165.05505	14.3
173.05969	2.5
175.07556	10.5
177.05464	14.4
178.07787	2.2
179.08553	2.1
185.06038	2.4
187.07599	7.4
189.07036	3.6
189.09108	3.9
190.07803	2.7
191.07060	10.6
191.08580	4.5
191.14336	3.0
195.06525	13.6
199.07614	2.8
202.07764	1.9
203.07036	4.8
204.52402	2.0
205.06551	2.1
207.08022	5.4
208.08807	2.5
215.07047	4.0
217.06631	3.6
217.08548	16.1
218.07349	8.1
219.07999	12.3
221.06131	2.7
223.07433	2.5
231.08089	2.9
234.06779	4.5
235.07578	7.2
236.08464	3.3
246.06802	10.1
247.07468	14.0
248.08270	5.4
249.09140	7.4
251.06940	2.5
251.10739	2.9
257.05988	4.0
259.07593	3.9
261.09134	15.3
263.07040	6.8
263.10709	2.9
264.07831	8.5
265.08600	4.2
267.10229	2.9
274.06180	6.8
275.07074	7.3
276.08160	2.3
277.08676	15.6
278.09259	3.0
279.06808	3.8
279.10196	9.1
289.08640	21.4
290.09125	2.2
291.06897	3.0
291.10135	8.9
292.07492	2.4
294.08881	6.2
295.09515	2.6
303.23233	2.0
306.08954	7.1
307.09644	40.5
309.11160	13.7
311.12704	2.1
321.11221	50.4
323.12695	13.7
327.12268	43.4
328.12445	2.0
339.12280	41.8
341.13864	5.3
357.13306	28.7
379.34653	1.9
518.30188	6.2
519.20679	12.3
519.31329	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	519.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56925	0.5
52.96220	0.5
54.22612	0.5
55.01872	1.5
55.05508	2.2
57.03428	1.4
57.07075	3.5
59.04998	0.9
61.02919	0.7
65.03947	0.7
67.05503	12.7
67.49948	0.5
69.03429	3.1
69.07072	1.5
69.22702	1.9
69.23103	1.2
71.04976	0.6
73.02922	2.3
79.05481	1.3
79.51768	0.5
81.03411	1.3
81.07041	2.5
83.04982	2.0
85.02907	4.2
85.06543	8.4
87.04452	0.7
91.05482	2.0
93.07056	4.0
95.04990	2.7
95.08606	69.3
97.02897	3.9
97.06502	0.5
105.07027	5.2
107.04951	1.1
107.08586	6.8
109.02836	1.2
109.06529	2.0
109.10154	1.5
111.08105	0.5
113.06007	9.6
115.03948	1.4
119.08578	12.3
121.06538	1.2
121.10130	5.1
123.08064	24.7
123.11697	2.6
125.02329	0.5
125.05981	0.6
127.03916	1.7
131.08571	1.6
133.04979	1.2
133.06502	0.9
133.10120	2.9
135.11702	11.0
137.05902	0.7
137.09583	2.9
139.07512	0.8
145.04953	1.2
147.08061	1.6
147.11678	4.4
149.09613	32.1
150.09959	0.8
151.03932	1.2
151.07552	1.2
151.14789	2.9
152.85341	0.5
156.09351	0.8
161.09656	0.9
161.13260	12.0
163.06044	1.1
163.11197	6.1
165.09084	1.1
165.12746	6.1
171.11665	1.5
174.10402	1.0
177.05524	0.8
178.08607	1.0
179.14328	2.1
184.59880	0.6
189.12749	16.5
195.06424	0.6
195.71518	0.6
207.13800	100.0
208.14143	1.5
225.10970	1.8
225.14877	6.2
254.79401	0.6
291.24197	0.5
378.13724	0.5
387.15836	0.8
519.20471	15.6
520.19598	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01870	1.5
55.05510	2.9
57.03429	2.6
61.02917	2.4
67.05501	3.5
69.03432	9.6
69.07056	4.4
69.78783	0.9
70.60096	2.1
71.04973	2.4
73.02917	12.5
79.05499	2.7
81.03419	3.5
81.07047	3.5
83.04960	1.4
85.02905	15.5
87.04451	2.3
91.03938	1.2
91.05492	5.6
92.31187	1.0
93.07038	4.9
95.04970	2.7
95.08609	57.8
96.25238	1.0
97.02898	9.0
105.07016	14.7
107.04963	1.9
107.08582	7.1
109.02901	2.6
109.06517	3.1
109.10166	6.8
111.08115	2.1
111.50645	1.1
115.03840	1.7
119.08584	29.3
120.09396	1.1
120.19144	1.2
121.06481	1.5
121.10148	15.6
122.91742	1.0
123.08074	11.8
123.11684	1.6
127.03910	3.8
129.06898	1.1
131.04932	1.1
131.08549	2.8
133.06476	6.7
133.10129	17.2
135.11696	47.0
137.05989	14.4
137.09595	9.4
137.13243	5.1
143.08502	1.1
145.04994	2.3
145.10117	2.4
147.08078	5.6
147.11691	22.3
149.09625	25.6
151.03912	2.0
151.07570	5.5
156.09332	3.6
159.08003	2.2
159.11719	2.0
161.06056	1.4
161.09624	2.1
161.13261	69.6
163.11150	1.2
165.12743	2.1
171.11746	4.6
174.10378	5.8
179.14276	10.8
189.10973	1.2
189.12741	59.5
207.13806	100.0
208.14093	1.4
225.14871	9.8
269.38345	1.2
369.19495	1.3
387.20007	3.2
424.74194	1.2
519.17688	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	519.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.6
53.25412	2.1
55.01865	4.2
55.05511	15.7
57.07078	15.3
57.59879	1.8
66.41193	1.8
67.05507	22.2
67.24496	1.8
69.07065	11.0
69.20218	3.7
69.20614	9.6
71.04980	2.8
77.03928	2.2
78.54284	1.8
79.05493	21.3
81.03418	9.5
81.07066	18.4
83.04980	8.8
83.08616	7.2
85.10180	38.6
86.40095	1.7
90.58142	2.1
91.05475	22.9
92.92044	2.0
93.07040	26.8
95.04991	12.7
95.08597	18.2
97.06528	5.4
97.10173	6.0
98.22603	3.1
99.08073	2.7
105.04523	2.0
105.07019	13.8
107.04948	9.8
107.08607	8.5
109.06513	2.5
109.10171	4.1
111.08095	3.5
111.91372	2.0
113.09638	48.9
117.07034	3.1
119.08575	8.2
121.10178	4.8
123.08072	3.6
129.07016	6.2
131.08589	4.9
133.10109	4.3
135.11705	2.7
137.52039	2.0
143.08542	3.3
145.10063	4.6
147.11682	15.3
149.09622	7.9
149.13327	2.2
151.11139	2.6
161.09624	2.6
161.13239	7.6
163.11218	10.5
163.14923	2.3
165.12756	54.2
167.08527	2.0
171.11655	9.3
175.11229	6.8
175.14954	2.4
181.12209	2.8
189.12767	5.5
207.13791	16.3
241.19511	3.3
249.22087	2.1
259.20605	8.3
277.21625	82.5
295.22653	100.0
296.22806	2.4
334.80319	1.9
480.88260	2.5
520.35760	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	520.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
55.01873	3.4
55.05517	6.9
57.03441	13.0
58.99588	2.1
59.05008	1.7
61.02930	2.1
61.47064	1.1
65.03939	1.7
67.05506	8.6
69.03431	67.3
69.07064	6.3
70.29734	1.0
71.01370	1.1
71.04996	65.4
71.43848	1.4
72.79217	1.1
73.02934	4.4
75.04470	5.6
76.02232	6.2
79.05497	6.8
81.03431	3.5
81.07069	12.4
83.04987	15.2
83.08624	2.6
84.04500	3.6
85.02910	100.0
85.06562	4.0
86.09699	2.2
87.04472	10.0
88.67641	1.0
91.05481	12.4
93.07054	13.4
95.04974	9.3
95.08614	11.8
96.05327	1.4
97.02888	17.0
97.06536	4.4
99.04470	3.2
103.03930	1.2
103.05463	6.4
105.07043	13.2
106.07336	1.5
107.04964	11.4
107.08593	25.5
109.02901	4.6
109.06528	7.9
109.10139	6.5
111.04423	5.7
111.08101	2.8
115.03932	15.3
115.05460	2.8
116.01694	4.0
117.07034	4.1
119.04972	1.3
119.08585	12.9
120.08102	1.5
121.06523	5.7
121.10149	22.1
123.04488	2.0
123.08077	19.3
123.08902	1.6
123.11706	10.1
125.02319	2.2
125.09603	2.4
127.03947	7.0
129.05484	31.3
129.07033	3.1
130.05014	2.2
131.04967	2.8
131.08569	20.0
133.04968	14.5
133.06493	2.2
133.10129	15.7
135.04440	2.9
135.08064	21.9
135.11694	12.3
137.05986	5.6
137.09624	2.9
139.03900	3.4
140.68762	0.9
143.08560	4.0
144.01151	1.3
145.04994	5.4
145.06491	2.5
145.10141	8.1
146.08110	2.0
147.04449	1.2
147.06528	16.1
147.07713	1.7
147.11673	8.4
149.05977	2.1
149.09651	8.0
149.13281	12.4
150.07538	1.5
151.03937	4.9
151.11182	2.2
153.05528	1.8
153.09093	1.1
154.06245	23.2
155.08516	1.1
157.10179	1.5
158.10936	7.3
159.11699	2.7
161.05954	2.2
161.13295	1.5
162.02232	3.9
163.03925	10.4
163.07552	18.0
163.11183	4.1
163.14816	13.6
164.04276	4.1
164.09212	5.1
165.05516	1.7
166.08609	1.4
167.07097	1.7
171.11774	1.5
173.06030	3.0
173.13263	40.8
175.06145	1.4
175.07556	1.5
175.14850	7.6
177.05411	2.1
177.12767	1.5
179.04889	3.9
180.08768	1.4
181.05026	1.8
187.07582	2.1
191.14317	86.3
195.06564	2.3
195.10173	60.9
196.06871	2.3
205.08604	2.4
205.10474	1.1
207.10181	3.6
209.15369	61.3
215.14220	1.2
219.10197	1.7
221.08113	2.9
223.23901	1.3
223.26048	1.1
225.98416	1.0
252.14264	1.6
259.13324	1.5
261.11401	1.1
270.15286	3.0
271.06104	1.3
272.06360	2.2
287.12817	3.8
288.16254	2.5
295.10199	2.6
300.09265	1.2
305.13995	8.5
305.17282	1.9
305.25043	1.4
323.18521	1.8
326.14313	1.5
373.17938	18.0
391.18851	2.2
444.06076	1.0
520.23651	6.8
520.31720	10.6
528.00128	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49173	0.6
53.03930	1.0
55.05510	7.2
55.32417	0.7
56.22309	0.7
56.79074	0.6
56.85682	0.6
57.03438	6.6
57.07069	1.6
60.08161	4.3
61.08493	1.0
65.03956	1.2
67.05505	36.4
69.07053	5.3
69.94110	0.7
69.94438	1.9
71.07347	1.2
74.04475	0.7
78.41487	0.8
79.05494	14.9
81.07056	29.7
83.04951	0.9
83.08598	2.9
86.09707	18.4
87.10048	5.5
88.03988	4.9
91.05482	8.4
93.07043	19.9
95.04960	2.2
95.08611	19.7
97.06485	1.0
97.10136	1.2
98.23338	0.8
98.98481	7.1
104.10732	2.4
105.07035	6.0
106.05006	1.3
107.08586	10.5
109.10164	8.7
117.07021	2.9
119.08578	4.5
121.06612	1.0
121.10132	6.3
123.11700	2.3
124.99989	13.2
125.09685	0.9
126.00376	1.5
127.00403	2.4
129.05469	1.2
131.08551	4.1
133.10132	2.8
135.08026	0.8
135.11690	3.3
145.10118	2.6
147.11678	1.8
149.09692	0.9
149.13268	3.3
159.11682	2.1
161.13290	2.0
163.14818	2.4
173.13284	1.4
182.06772	0.8
184.07336	50.8
185.07692	19.8
186.07790	12.6
187.14758	1.2
210.27251	0.7
222.28410	0.8
232.10384	0.7
242.04308	1.1
243.21109	3.0
260.05139	1.3
261.22171	2.5
317.24725	1.1
324.13177	0.8
335.25790	100.0
336.26093	1.5
348.25385	1.3
502.31888	1.0
520.32776	3.2
520.39850	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27455	0.5
53.03941	1.3
53.10474	0.6
55.05515	8.8
57.03176	0.8
57.03439	8.3
60.08162	4.5
61.08461	0.6
65.03934	0.7
67.05504	30.6
67.05869	1.5
69.07069	7.0
70.02959	0.6
71.07378	1.7
79.05495	15.6
80.50703	0.6
81.07057	27.7
83.04971	0.7
83.08607	2.6
86.09708	15.7
86.10555	0.6
87.10026	5.6
88.03986	7.3
88.10422	0.6
91.05481	8.6
93.07047	17.3
95.04964	1.4
95.08608	21.5
97.06516	1.1
97.10170	1.3
98.98461	7.0
100.98912	0.8
104.10720	1.0
105.04504	0.9
105.07026	5.3
105.11098	0.7
106.05030	1.2
107.08604	7.9
109.06496	0.8
109.10168	7.2
117.07042	0.8
119.08572	2.8
121.10153	6.4
123.08041	1.0
123.11720	1.7
124.93762	0.7
125.00013	13.3
126.00366	1.3
127.00419	2.3
129.24052	0.8
131.08559	2.7
133.10147	1.8
135.11725	3.5
145.10120	1.6
147.11682	1.1
149.13261	0.9
159.11720	0.6
163.14771	1.0
173.02151	1.0
173.13231	0.7
177.26912	0.6
184.07339	46.6
185.07698	17.7
186.07780	12.6
198.97461	1.4
203.19391	0.5
223.67422	0.6
228.89203	0.6
261.22141	1.7
293.70325	0.6
310.32761	0.6
335.25800	100.0
336.26163	2.9
348.25549	1.0
464.96475	0.6
502.31229	0.7
520.24011	1.7
520.32782	0.9
525.61761	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11617	0.2
53.13953	0.3
55.01869	0.3
55.05504	1.3
57.03437	2.5
57.07069	1.4
59.04997	0.7
61.02901	0.4
63.40698	0.3
67.05500	1.9
69.03425	36.4
69.07061	2.2
69.57426	0.3
69.57764	1.3
71.04984	0.7
79.05486	1.4
81.03410	0.6
81.07045	3.5
83.04984	2.8
83.08617	0.5
85.02904	7.1
85.06531	1.6
87.04460	5.0
91.05472	1.5
93.07024	1.9
95.04964	1.0
95.08596	6.2
97.02893	5.9
97.06516	2.5
98.23478	0.5
99.04446	0.4
103.05467	1.4
105.07006	1.9
107.04940	0.6
107.08587	9.2
109.02876	0.5
109.06506	3.2
109.10143	1.9
111.08057	2.2
115.03925	5.7
117.06992	0.5
117.23685	0.3
119.08550	2.5
121.06458	1.6
121.10146	6.3
123.04376	0.3
123.08036	1.9
123.11707	4.8
123.12537	0.6
125.09624	16.0
127.03888	0.8
131.04938	3.3
131.08571	4.3
133.04959	4.6
133.10120	4.6
135.08041	7.7
135.11664	4.3
137.05960	0.7
137.09598	1.3
138.06317	0.5
143.08527	0.6
145.04930	0.9
145.10123	2.5
147.11693	2.0
149.09608	4.2
149.13266	2.7
150.07649	0.3
150.10309	0.4
151.03792	0.4
151.11131	1.1
153.09105	6.0
158.10913	2.3
159.11708	0.6
161.09651	0.5
163.03918	0.7
163.07553	1.2
163.11172	1.7
163.14795	3.4
165.12762	2.2
171.11568	0.3
173.13245	15.8
176.11914	0.7
181.41414	0.3
191.14297	54.9
192.14693	1.0
209.15352	100.0
210.15657	2.0
336.13602	0.4
373.18115	0.5
458.33609	0.3
520.32709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.5
55.05502	1.1
57.03421	1.0
57.07072	0.9
60.62329	0.3
61.02923	0.7
61.57475	0.3
63.70480	0.3
65.03928	0.6
67.05499	1.7
69.03436	2.0
69.07056	1.1
71.04971	0.4
73.02541	0.6
73.02917	6.8
77.03931	0.4
79.05492	3.3
81.03413	0.6
81.07049	2.3
83.04961	0.4
83.08620	0.4
85.02912	2.6
87.04453	0.5
91.05473	8.0
93.07039	3.9
95.04957	1.0
95.08575	1.6
97.02882	3.0
99.04454	0.9
103.05459	0.8
105.07023	10.5
105.69534	0.3
107.04973	0.4
107.08589	9.3
109.06517	1.0
109.10138	0.7
115.03912	1.4
115.05460	0.9
116.06194	0.9
117.07012	4.6
119.06082	0.4
119.08575	11.4
119.38456	0.3
120.10509	0.3
121.06455	0.5
121.10139	11.1
123.08002	0.5
127.03925	1.0
128.06236	0.9
128.47751	0.3
129.07016	3.9
130.07788	1.4
131.08563	18.9
133.04959	1.0
133.10132	4.7
135.08070	3.3
135.11661	0.4
137.09683	0.4
143.08572	7.6
144.09340	3.9
145.04944	0.5
145.10121	12.3
147.11684	6.5
149.09642	4.4
149.13258	6.9
150.07619	0.6
156.09329	0.7
157.10144	0.6
158.10909	9.5
161.09598	0.4
171.11659	0.4
173.13255	23.0
175.14828	4.5
191.14301	100.0
192.14700	1.5
193.15816	0.5
209.15332	3.0
227.16412	1.3
305.17532	0.4
323.18622	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
54.03159	0.3
55.05510	1.3
57.03436	1.5
57.07061	1.2
59.04992	0.4
60.04519	0.4
65.03939	0.8
67.05500	2.2
69.03428	6.1
69.07062	2.2
69.49776	0.3
69.94070	0.3
69.99963	0.6
70.35175	0.3
73.02908	0.4
77.03928	0.3
79.05490	3.9
80.15864	0.3
81.07066	2.5
83.04979	0.4
83.08588	0.4
83.34033	0.3
85.02460	0.4
85.02905	3.8
85.06518	0.4
87.04461	3.0
91.05477	10.9
93.07045	3.8
95.04957	0.8
95.08607	2.4
97.02892	3.6
99.04436	0.3
103.05472	1.0
105.04468	0.4
105.07028	12.5
107.04932	0.3
107.08595	10.8
109.06503	1.1
109.10159	0.7
109.31240	0.3
115.03935	4.1
115.05448	1.2
116.06236	1.3
116.51733	0.3
117.05542	0.2
117.07019	5.9
119.06091	0.5
119.08578	13.1
121.10143	12.2
123.08060	0.6
123.11690	0.4
125.09614	0.3
127.03886	0.4
128.06204	1.1
129.07001	4.9
130.07811	1.6
131.08569	20.7
132.09270	0.4
133.04971	4.5
133.10138	5.6
135.08040	4.2
135.11673	0.7
137.09662	0.6
142.07799	0.6
143.08559	10.3
144.09344	4.1
145.04935	0.3
145.06473	0.3
145.10121	15.2
146.10443	0.3
147.10565	0.5
147.11679	6.6
149.09613	1.3
149.12103	0.4
149.13260	7.5
150.07605	3.1
151.03893	0.5
156.09325	0.8
157.10098	0.6
158.10915	12.7
171.11687	0.7
173.13258	28.8
174.13580	0.8
175.14832	5.2
191.14304	100.0
192.14676	2.6
209.15373	1.2
227.16499	0.8
233.15379	0.4
297.55298	0.3
305.17316	0.5
323.18533	0.7
485.23660	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.7
57.03433	1.4
61.13212	0.7
67.05511	1.9
68.95765	0.7
69.03436	5.1
69.07061	0.9
69.18109	4.9
70.49409	0.7
71.04998	1.0
71.71526	0.8
73.02913	1.1
79.05482	1.6
81.03430	1.0
81.07050	3.1
85.02905	4.4
85.06558	1.8
87.04462	2.1
87.88265	0.8
91.05471	7.5
93.07034	2.6
95.04956	2.7
95.08612	1.3
97.02880	4.3
98.22607	1.6
99.04443	0.7
105.07030	10.3
107.04988	0.9
107.08585	1.9
109.02909	1.0
109.06505	1.1
111.08106	1.1
115.03931	3.0
116.06188	0.9
117.07018	2.7
119.08566	8.0
121.10133	1.2
127.03876	1.2
128.06204	1.6
129.07019	5.0
130.07773	1.4
131.04942	0.8
131.08566	25.0
133.02834	1.0
133.04979	2.9
133.10123	100.0
134.10419	1.0
135.04425	1.1
135.08041	1.3
137.05966	3.0
137.09584	1.6
138.06340	0.7
143.08542	10.4
144.09328	2.1
145.10139	12.5
146.61423	0.8
147.11674	3.4
149.13232	1.0
150.06412	0.8
150.07603	1.8
151.03883	1.8
158.10907	13.1
163.03874	6.7
164.04282	0.8
165.09222	0.8
165.12711	1.2
165.24995	0.8
167.07018	1.4
171.11674	2.9
173.09648	8.3
173.13258	48.9
174.13525	1.5
175.14827	4.9
179.06981	0.8
180.34375	0.8
183.42532	1.0
187.11186	0.9
187.14816	1.3
191.14301	76.0
192.14688	1.8
197.18494	0.9
199.11206	1.1
209.15338	3.2
215.10698	2.9
215.14240	1.9
227.10686	1.0
233.15317	3.0
245.11627	1.2
257.15363	1.0
274.95377	0.8
275.16406	2.7
287.16211	1.6
305.17535	1.8
312.32852	0.7
323.18497	1.2
342.52661	0.8
448.32443	0.7
449.21780	0.8
520.24084	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	520.34
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.5
58.06614	0.6
60.08166	7.3
67.05490	0.7
69.07079	0.5
71.07381	2.9
71.18684	0.4
81.07050	0.7
82.06150	0.3
86.09705	32.6
95.08590	0.4
98.98462	3.9
100.28518	0.2
104.10751	3.5
124.40269	0.2
125.00002	23.8
135.06143	0.2
137.66861	0.3
184.07338	100.0
185.07663	0.9
289.35205	0.3
502.32785	1.0
520.34039	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	520.3401
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05508	0.8
56.05024	1.5
57.64922	0.4
58.06598	1.3
60.08166	15.9
67.05504	1.9
69.07064	1.3
70.95364	0.4
71.07018	0.5
71.07377	6.4
76.16324	0.4
79.05476	1.2
81.07061	2.6
83.08620	0.6
86.09706	47.0
87.10029	0.6
92.18832	0.4
93.07054	1.0
95.08601	1.2
97.06475	0.5
98.98470	3.9
100.68990	0.3
104.10744	86.3
105.07057	0.5
105.11044	0.4
107.08562	0.4
109.10136	0.6
125.00004	27.9
184.07341	100.0
185.07675	0.6
225.15503	0.4
242.91216	0.4
258.11017	1.4
258.79663	0.5
331.48737	0.4
334.39124	0.4
337.27283	1.1
443.12296	0.4
443.25644	0.7
464.01569	0.4
502.32874	7.8
503.33578	0.4
520.33966	30.7
521.34338	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
64.24358	2.1
69.03416	3.9
69.32191	1.9
82.13961	2.1
82.50609	1.9
85.02882	5.5
97.02846	2.9
125.57385	2.0
127.03902	4.8
131.01913	3.4
145.04921	2.3
145.52640	2.1
163.03870	6.2
178.94992	2.4
178.97070	2.9
238.98055	14.4
256.99097	5.1
269.05447	3.6
299.00070	5.5
320.79987	2.1
365.10263	6.3
519.18469	2.2
521.14063	100.0
522.14551	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	521.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
54.00305	0.2
55.05505	0.6
57.03419	0.3
61.89026	0.3
63.02368	0.6
67.05504	0.8
69.03440	1.5
69.07066	0.5
69.37218	0.9
71.04984	1.1
73.02911	0.3
79.05493	2.2
81.03417	2.3
81.07056	2.0
83.04974	0.6
85.02904	1.7
87.08089	0.4
89.03915	5.1
89.67994	0.3
91.05469	0.7
93.07048	1.2
95.04971	1.9
95.08595	1.5
97.02896	2.4
97.06570	0.3
99.04457	1.0
99.08176	0.3
105.07003	0.9
107.04964	2.2
107.08592	1.1
109.02868	1.1
109.06512	0.9
109.10119	0.6
111.08090	4.1
115.03916	0.3
115.05582	0.3
117.03377	6.4
119.08580	0.7
121.10145	0.4
123.04424	0.6
123.08064	0.6
125.05988	0.8
125.09574	0.3
127.03915	23.2
133.06482	0.7
133.10150	0.4
135.04416	14.5
135.08099	0.3
137.06007	0.6
145.01689	0.6
145.02844	11.7
151.03877	1.0
151.07564	1.5
153.05408	0.5
153.09166	0.6
160.40521	0.3
161.05992	0.9
163.03900	100.0
164.04208	0.7
173.06004	1.4
175.14806	0.3
177.05540	0.4
179.07039	3.6
181.04953	3.0
189.05510	0.3
191.14320	0.6
193.15860	0.7
197.08092	25.2
199.07460	0.3
209.15355	2.4
211.17018	0.5
217.04962	6.2
227.16484	0.6
269.55841	0.3
307.08115	2.8
311.12912	0.3
325.09195	3.7
329.13837	6.1
445.80399	0.3
520.31836	0.3
521.20898	0.3
525.73572	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2595
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
50.47998	1.2
53.94206	1.0
54.35305	1.1
55.05518	1.8
55.72789	0.9
57.03424	6.0
59.04996	1.8
67.05500	4.5
69.03426	22.1
69.07057	2.8
70.06591	1.4
71.04990	21.5
73.02917	2.7
79.05499	3.4
81.03418	4.9
81.07050	6.2
83.04970	1.8
83.08607	3.7
85.02900	16.4
85.06551	9.0
87.04456	8.0
91.05494	4.7
93.07029	4.2
95.04966	6.2
95.08633	5.2
97.02900	13.3
97.06512	4.0
99.04455	74.2
103.05461	2.3
105.07071	5.4
107.04958	14.2
107.08595	12.8
109.02885	5.5
109.06526	5.1
109.10157	7.8
109.56298	1.2
111.04372	1.2
111.08071	1.4
113.09644	3.0
115.03923	10.9
119.08575	3.9
120.08037	1.4
121.06516	2.4
121.10114	8.0
123.04417	2.1
123.08082	8.7
123.11675	8.1
125.05999	2.3
125.09619	3.3
127.03908	2.9
128.52019	1.0
131.04829	2.2
131.08609	3.5
133.02835	1.6
133.04955	7.4
133.10143	12.2
135.04422	5.3
135.08028	2.7
137.06030	5.8
139.03877	2.0
139.11189	3.3
141.09117	1.3
145.04948	1.9
145.10075	1.5
147.11725	5.6
149.02438	1.2
149.06029	3.4
149.09645	3.9
149.13240	4.7
151.03928	4.0
151.11183	4.4
153.05484	3.0
153.09077	3.1
159.60649	1.3
161.05983	1.4
163.03891	7.1
163.07484	1.8
163.14827	1.5
165.05508	6.5
165.09113	1.2
165.12733	3.4
167.07031	1.9
167.10675	2.4
169.12225	12.9
173.12024	1.1
173.13235	5.8
177.05495	4.3
179.07077	1.3
181.05067	2.7
181.08510	1.7
183.13805	18.2
191.07039	1.6
191.14331	9.3
195.06537	1.7
209.08104	4.4
209.15364	25.4
227.09190	1.9
227.16420	100.0
228.16747	1.5
287.05527	2.7
379.86334	1.3
460.28854	1.2
461.66183	1.5
521.18036	2.2
521.26447	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	521.2598
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
50.34363	0.7
55.01885	1.6
55.05508	4.8
55.48459	0.7
57.03439	3.9
57.07072	1.0
59.04995	1.6
61.02921	2.3
64.95815	0.8
65.03941	0.8
67.05496	2.5
69.03436	11.6
69.07074	3.9
71.04984	0.9
71.74880	0.6
73.02917	5.3
76.65359	0.7
79.05494	6.0
79.33815	0.7
81.03409	2.4
81.07044	2.9
83.04974	8.9
83.08630	1.5
85.02899	9.6
85.06543	1.0
87.04469	1.0
89.03922	0.7
91.05468	5.7
93.07040	4.7
95.04973	3.1
95.08617	5.5
97.02898	8.6
97.06544	1.9
97.10139	0.8
99.08102	1.0
103.05466	14.0
105.07046	6.0
107.04949	3.4
107.08594	40.1
109.02869	2.0
109.06523	4.1
109.10169	3.8
111.08053	2.3
113.05987	0.7
115.03912	5.3
115.05382	0.9
117.07018	0.8
119.04934	1.7
119.08591	3.8
120.10289	0.6
120.29777	0.6
121.06489	2.4
121.10148	9.4
122.03673	0.7
123.08052	1.5
125.09650	1.9
127.03931	3.0
129.06956	0.7
131.04929	23.4
131.08568	4.0
133.04976	5.0
133.06485	0.9
133.09164	1.4
133.10123	15.1
135.04419	1.0
135.08046	6.4
135.11716	2.7
137.05983	13.1
137.09625	5.9
139.03938	0.7
139.11162	1.2
141.65771	0.7
145.04964	3.0
145.10112	1.2
147.04408	1.6
147.11687	4.6
149.05975	0.8
149.09666	3.8
149.13289	6.2
151.03877	1.3
151.07576	1.6
151.11174	6.8
153.09093	4.3
158.10953	1.9
159.08096	0.8
161.05963	1.9
161.09615	1.0
163.03929	3.4
163.06140	0.9
163.07545	12.6
163.14772	3.4
165.05461	2.0
166.45499	0.7
173.13240	6.9
175.07562	3.0
176.12000	0.8
177.05440	1.6
179.07036	1.5
181.08554	1.6
187.07637	1.7
189.09160	2.7
190.13017	1.0
191.14310	100.0
192.14586	2.2
193.08618	1.6
207.13699	1.5
209.07988	1.1
209.15388	21.7
217.08772	0.8
219.10164	1.8
227.09090	0.8
227.16396	4.3
247.07559	0.9
259.08105	1.3
311.12854	1.7
323.12930	1.3
341.13812	1.9
521.20758	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	521.2596
Annotation	Premnaionoside
Peak:m/z	Relative Intensity
54.66196	1.1
55.05507	1.3
57.03439	1.8
57.07079	1.3
59.04988	1.0
61.02924	1.5
67.05500	2.3
69.03419	4.1
69.07066	2.8
71.04978	3.2
71.81279	1.0
73.02921	2.8
79.05502	2.9
81.03395	1.4
81.07042	6.3
83.04967	3.9
83.08603	2.2
85.02901	5.4
85.06542	3.0
91.05465	2.8
93.07051	8.8
95.04988	2.0
95.08596	9.3
97.02893	3.2
97.06521	1.7
99.04436	1.6
99.08070	9.2
105.07024	4.7
107.04940	3.7
107.08591	21.2
109.06520	4.6
109.10159	5.9
111.08096	2.9
115.03888	1.2
119.08591	3.8
120.08105	1.7
121.06490	8.5
121.10130	15.7
123.08052	8.6
123.11693	3.2
125.06000	1.3
125.09644	3.6
131.04939	1.1
131.08575	5.1
133.04921	1.4
133.10115	11.6
135.08041	8.4
135.11674	3.5
137.09630	2.9
139.07556	1.3
139.11172	2.5
145.05009	1.9
145.10121	1.7
147.11682	3.8
149.09612	29.3
149.13229	8.2
151.11143	9.5
153.09097	4.0
163.11279	0.9
163.14801	13.8
173.13260	12.6
182.58937	1.0
191.14294	35.2
209.15353	100.0
210.15657	3.8
223.44737	1.0
227.16438	18.2
286.31406	1.1
389.21808	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	522.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
54.62660	0.2
57.03425	0.2
57.76474	0.2
62.01919	0.2
63.02373	0.2
69.03437	1.2
71.47775	0.3
79.05483	0.5
81.03423	2.7
85.02910	1.5
89.03915	3.3
92.91637	0.2
95.04988	0.4
97.02894	0.9
99.04460	0.4
107.04957	1.1
109.02862	1.6
117.03381	4.5
120.45450	0.2
127.03922	0.9
131.04922	1.0
133.06468	0.3
135.04416	10.0
137.05971	0.3
145.02843	9.3
145.04884	0.5
145.26682	0.2
161.05881	0.3
163.03900	100.0
164.04216	0.9
171.54018	0.2
181.04953	4.7
307.08151	3.7
310.51550	0.2
325.05328	0.5
325.09180	10.2
440.34879	0.3
487.14511	0.4
522.22333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.182
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	1.4
70.53584	0.6
73.02905	0.4
79.05521	0.6
81.03413	3.1
85.02919	2.0
89.03907	3.1
97.02882	1.0
99.04456	0.8
105.07013	0.4
107.04948	1.3
109.02860	1.4
117.03382	4.9
120.22237	0.3
127.03877	1.0
131.04855	0.4
135.04417	10.6
145.02853	9.9
145.03856	0.3
147.55539	0.4
163.03896	100.0
164.04224	0.8
181.04961	3.8
209.15343	0.3
227.16478	0.3
258.02884	0.3
273.35559	0.3
280.54010	0.3
307.08075	3.6
325.09140	9.1
325.12909	0.5
326.09543	0.3
343.10513	0.3
356.96744	0.3
396.43945	0.3
522.21210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
55.01875	0.4
57.03438	0.7
61.02918	0.7
68.90446	0.3
69.03427	1.9
69.59170	0.8
69.75028	0.3
79.05489	0.6
81.03416	1.1
85.02911	5.4
89.03917	3.4
91.05487	0.5
97.02895	1.5
98.01407	0.3
99.04460	0.7
107.04962	1.3
109.02880	1.0
109.75108	0.3
117.03381	5.7
127.03940	1.2
131.04967	0.6
135.04408	12.1
139.03949	0.3
145.02846	10.3
145.04852	1.4
163.03897	100.0
164.04247	0.7
180.08650	0.4
181.04950	43.2
182.05324	0.3
236.39084	0.3
307.75699	0.3
325.09085	1.9
359.49496	0.3
359.76682	0.3
400.89413	0.3
451.91803	0.3
487.14197	0.4
493.49609	0.3
522.21564	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53279	1.0
64.10600	0.9
69.03425	3.0
69.17142	5.8
71.04988	2.8
79.05484	2.1
80.09849	1.0
81.03412	2.3
81.07049	4.2
83.04986	1.6
85.02916	5.7
91.05483	1.6
93.07051	2.2
95.04969	4.7
95.08598	3.5
97.02897	5.4
99.04465	2.9
99.08075	1.7
102.87876	1.1
105.07053	4.7
107.04952	2.2
107.08575	1.6
109.02875	1.1
109.06518	3.5
109.10168	1.6
111.08083	13.1
115.03938	1.3
119.08563	2.3
123.04449	1.6
123.08067	4.0
125.02431	1.0
127.03915	73.5
131.04976	2.3
133.06491	2.1
133.10130	2.9
135.04410	2.2
135.11658	1.9
137.05965	3.1
137.09564	1.2
145.02786	1.1
149.05872	1.4
151.03894	1.8
151.07552	4.6
161.05959	1.5
163.03889	10.4
164.04248	3.3
169.04865	1.2
175.14850	1.7
177.05392	1.1
179.07027	12.3
186.84375	1.0
193.15814	4.8
197.08086	100.0
197.11809	4.6
198.08345	1.8
211.17006	2.6
228.16687	1.4
359.13373	10.2
522.20520	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	522.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.01863	0.7
55.05264	0.9
55.05511	12.4
57.03438	6.3
57.07065	1.7
60.04517	0.5
60.08151	1.6
63.14535	0.4
65.03930	1.1
65.63241	0.5
67.05503	27.1
69.07066	17.6
69.89118	0.6
69.89430	0.9
79.05492	7.8
79.99582	0.4
81.07055	24.7
83.04978	1.2
83.08616	7.5
84.11454	0.4
84.72778	0.4
85.06532	0.8
86.09708	4.6
87.10033	1.4
88.03993	6.1
91.05480	4.9
93.07040	6.2
95.04971	0.8
95.08604	17.9
97.06525	1.5
97.10162	3.5
98.23460	0.5
98.98470	5.3
104.10730	1.3
105.07034	3.8
106.05022	1.0
107.08582	4.3
109.10157	8.0
111.08047	1.0
119.08558	3.3
121.10131	2.9
123.11682	3.4
124.93755	1.7
125.00015	4.6
127.00414	0.6
133.10123	2.9
135.11705	1.6
137.13245	1.0
147.11641	2.2
149.13214	0.7
149.93762	0.4
151.14778	0.5
155.01056	0.9
161.13281	1.0
163.14851	0.7
167.97932	0.8
173.02075	1.4
175.14816	0.8
184.07335	13.1
185.07672	5.4
186.07784	4.0
198.97418	3.8
260.05524	0.6
263.23792	1.4
294.65186	0.5
304.18591	0.4
329.73871	0.4
337.27356	100.0
338.27621	3.2
350.26935	1.5
389.06131	0.4
399.33783	0.5
404.92532	0.5
461.20334	1.7
522.18268	0.9
522.25635	5.3
522.33917	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.8
57.07070	2.9
60.53288	1.2
65.45774	1.3
67.05510	7.0
69.03430	4.2
69.07070	6.6
69.13244	3.4
69.13655	4.1
71.04981	4.1
79.05482	8.2
81.03445	1.3
81.07054	10.5
83.08616	1.8
85.02911	3.1
86.46739	1.2
87.04472	2.1
91.05489	8.1
93.07041	15.6
95.08612	19.8
97.02918	2.1
98.23441	2.6
99.04455	1.4
99.08106	4.5
104.14903	1.4
105.07029	39.9
107.08598	20.8
107.65869	1.4
109.06478	1.4
109.10160	8.6
113.09638	2.5
115.03922	4.1
117.07037	1.5
119.08578	52.7
121.10172	3.2
123.11705	2.7
131.08598	1.6
133.04948	4.8
133.10132	59.1
135.08080	1.8
135.11693	30.0
135.12653	2.2
137.09578	6.1
145.04950	1.2
145.10139	1.7
147.11658	8.1
149.13313	2.2
151.14995	1.3
163.03835	1.5
173.13344	2.5
175.14821	100.0
192.14594	1.6
193.12254	2.0
193.15892	17.8
227.16530	2.1
244.09669	3.5
289.17822	1.7
307.07843	1.2
360.14523	2.1
444.60492	1.3
466.54279	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.5
55.01863	1.2
55.05508	1.4
57.03436	2.7
57.07045	0.4
59.05001	3.0
61.02918	1.6
67.05504	3.4
69.03429	5.8
69.07060	2.9
69.12028	2.1
71.01359	0.5
71.04974	1.3
71.08600	0.4
73.02916	8.5
77.03917	0.6
79.05482	3.3
81.03407	1.5
81.07054	15.6
83.04968	0.7
83.08617	0.9
85.02902	10.3
85.06525	0.7
87.04450	0.7
91.05460	2.0
93.07050	6.1
95.04959	0.5
95.08607	10.1
97.02890	7.1
97.06532	0.8
99.04443	0.5
103.03946	0.7
103.05506	0.4
105.07031	7.1
107.08591	6.1
109.02890	1.3
109.06511	10.5
109.09424	0.5
109.10156	9.2
111.08103	0.6
115.03917	3.2
119.07745	0.9
119.08580	15.4
121.10145	3.0
123.08039	2.5
123.11691	1.9
125.09618	0.4
127.03906	2.5
131.04965	0.9
133.04958	3.2
133.10123	12.6
135.11687	23.4
136.12021	0.5
137.05963	0.7
137.09604	6.1
145.04919	2.4
147.11679	4.3
149.13261	5.6
151.11154	0.6
158.80693	0.4
160.97481	0.4
163.06009	0.9
163.14784	0.7
165.16403	0.8
175.14816	34.8
179.84326	0.4
185.57576	0.4
191.08736	0.4
193.15875	100.0
194.16206	1.6
211.16924	70.6
212.17256	1.1
223.05920	0.6
230.53191	0.5
241.06993	0.6
245.92604	0.4
259.08087	0.8
286.49591	0.4
305.62711	0.4
307.26001	0.5
335.97437	0.4
336.01761	0.4
388.28180	0.4
522.31409	1.9
523.21405	2.1
523.28381	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01867	0.9
55.05512	4.5
57.03433	1.8
57.07058	0.7
61.02938	0.7
67.05497	2.4
69.03425	3.5
69.07066	8.7
70.74375	0.9
71.04987	1.7
73.02911	5.7
78.45978	0.5
79.05467	1.6
81.03405	1.1
81.07056	6.5
83.08593	2.8
85.02898	7.0
88.62315	0.5
91.05481	7.6
93.07031	3.2
95.04953	0.8
95.08082	0.9
95.08607	7.0
97.02890	5.8
103.05468	1.0
105.07029	16.5
107.07917	1.1
107.08588	11.2
109.02856	1.3
109.06464	0.6
109.10143	3.5
115.03928	2.8
116.01652	1.4
117.07021	3.4
119.08578	70.6
120.08893	1.3
121.10172	3.2
123.11700	2.6
127.03898	3.0
131.04932	1.4
131.08565	1.2
133.04984	5.8
133.10127	24.6
135.04378	0.7
135.11665	0.7
136.06503	0.7
137.05946	0.8
144.01198	0.6
145.02788	0.8
145.04921	3.9
145.10144	1.6
147.11649	2.8
153.41647	0.6
160.12463	1.4
161.13243	2.5
162.02237	1.5
163.03905	5.4
163.06062	2.3
164.04211	1.0
173.13306	1.5
175.14818	100.0
176.15160	1.6
211.16753	0.8
241.07069	1.1
259.08176	2.7
277.09241	1.1
279.92630	0.7
287.05426	0.8
288.05893	1.1
295.10181	5.7
307.19012	0.6
337.20047	0.7
393.20392	0.8
453.43512	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.1
55.05510	0.9
57.03457	0.1
57.07083	0.4
65.03945	0.1
67.05503	0.7
69.03421	0.7
69.07069	2.1
70.32611	0.3
71.04990	0.3
77.03913	0.1
79.05500	1.2
81.07058	8.4
83.08624	0.8
85.02917	0.5
87.04485	0.7
91.05475	3.1
93.07048	2.7
95.04971	0.3
95.08611	8.0
97.02868	0.7
97.88174	0.1
99.08089	0.7
103.05431	0.2
105.07031	10.1
106.07346	0.1
107.08593	4.4
109.10155	0.6
113.09632	0.2
115.03944	0.7
115.05464	0.2
117.03384	0.2
117.07012	0.7
118.07813	0.2
119.08582	25.3
120.08129	0.2
120.08926	0.3
121.10142	0.5
123.11750	0.3
127.03909	0.1
131.08585	1.0
132.09360	0.2
133.04988	0.9
133.10132	18.0
134.10498	0.2
135.04451	0.4
135.11696	2.1
137.05983	0.3
137.09557	0.1
145.10112	0.4
146.10895	0.4
147.11679	2.7
150.07620	0.5
160.12433	0.3
163.03912	1.3
173.13252	0.2
175.14821	100.0
176.15189	1.3
193.15891	2.1
211.11916	0.1
259.08167	0.2
295.10071	0.2
522.28369	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	522.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
53.92282	1.3
55.05511	5.0
57.03434	8.5
58.27242	1.3
59.05003	2.3
60.05647	2.2
64.20091	1.4
65.80002	1.3
67.05503	6.2
69.03426	26.2
69.07070	9.2
71.01344	1.7
71.05009	3.4
73.02937	1.7
74.94830	1.6
75.99217	1.5
79.05499	5.6
81.03431	3.7
81.07052	14.6
83.08634	6.8
84.77631	1.4
85.02898	23.8
86.09726	1.5
87.04456	15.1
91.05473	3.5
93.07040	11.9
95.04966	2.9
95.08601	13.2
97.02885	25.4
97.06529	12.9
97.10191	2.7
99.08083	1.4
105.07043	6.4
107.08592	8.9
109.02862	1.9
109.06534	12.6
109.10172	5.0
111.08060	2.8
115.03931	28.1
115.07597	2.1
119.08596	15.0
121.10134	7.0
123.04424	1.5
123.08036	7.6
123.11696	10.7
127.03934	3.9
133.04962	24.4
133.10132	26.4
135.11690	17.2
137.05994	2.1
137.09654	4.7
141.12726	2.2
143.09467	1.5
145.04974	4.9
147.11674	3.3
149.13252	12.3
151.11195	4.5
153.12782	2.0
163.03864	2.1
165.09027	1.7
175.14821	38.4
193.10194	3.5
193.14082	2.5
193.15877	58.9
211.16919	100.0
220.31186	1.7
223.13240	1.6
259.08334	1.9
291.19781	1.8
295.10135	4.0
389.51971	1.4
391.86917	1.4
448.30487	4.0
448.59756	1.8
522.24811	3.0
522.34009	10.9
523.28949	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.4
56.05040	0.4
58.06612	0.5
59.01799	0.2
60.08163	6.2
69.07059	0.4
69.44787	0.8
71.07374	3.0
71.27899	0.2
79.29014	0.2
81.07056	0.3
83.08647	0.2
84.36732	0.2
84.98451	0.2
86.09705	31.7
95.08618	0.2
98.98458	3.6
104.10741	2.6
125.00003	21.4
150.29628	0.2
184.07338	100.0
185.07701	0.4
207.77512	0.2
210.86050	0.2
229.99406	0.3
284.73862	0.2
339.29034	0.2
346.02954	0.2
504.34348	1.0
522.35596	3.2
523.36365	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	522.3556
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
54.33033	0.2
55.05511	1.7
56.05032	0.9
57.03435	0.5
57.07068	0.5
58.06602	1.3
59.07373	0.3
60.08163	15.9
67.05508	1.3
69.07066	2.0
69.32159	1.2
71.07374	6.4
71.08642	0.3
79.05503	0.7
81.07059	1.1
83.08611	1.1
86.09703	47.8
87.10051	0.3
89.81554	0.2
91.05509	0.3
93.07044	0.9
95.08616	0.9
97.10162	0.5
98.98460	3.5
104.10740	91.4
104.21973	0.3
109.10125	0.5
111.11737	0.3
121.10125	0.4
125.00000	27.3
135.11676	0.3
136.93149	0.3
154.94159	0.7
163.01553	0.5
172.95111	0.4
184.07333	100.0
185.07758	0.8
210.97691	0.5
219.97052	0.3
258.11096	1.1
332.29373	0.3
339.29068	1.1
504.34421	7.8
522.35583	34.8
523.35846	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85624	0.5
51.02378	0.9
53.03936	1.8
55.01873	3.8
55.05260	1.1
55.05510	17.0
57.03426	1.0
57.07069	1.2
65.03918	1.3
67.05504	20.0
69.03431	1.5
69.07066	9.3
69.19820	2.1
71.04984	2.2
71.08613	0.5
77.03950	0.5
79.05041	1.0
79.05492	17.9
81.03414	7.1
81.07057	22.9
83.04980	4.6
83.08618	16.0
85.06544	1.5
89.20097	0.6
91.05479	20.3
93.07040	18.8
95.01339	0.6
95.04967	22.7
95.08601	14.7
97.06522	4.9
97.10165	4.1
98.23414	1.3
99.08073	1.1
103.05473	0.9
105.04504	0.8
105.07027	21.1
107.04959	7.6
107.08588	14.4
109.06512	3.6
109.10152	7.2
111.04453	0.7
111.08067	4.0
113.09632	0.8
117.07018	6.9
119.08578	18.7
121.06521	3.5
121.10137	10.8
123.08054	2.4
123.11696	1.7
125.09623	4.0
129.07007	2.3
130.07733	0.8
131.08560	10.2
133.10129	17.7
135.08078	3.4
135.11691	5.0
137.09589	2.6
139.11157	1.1
141.06960	0.9
143.08574	2.4
145.06465	1.2
145.10117	14.5
147.08035	1.8
147.11681	8.1
149.09615	16.1
149.13239	6.5
151.11195	2.9
153.09053	0.9
155.08476	2.8
157.10094	2.5
159.11684	9.1
161.09648	1.7
161.13237	2.9
163.11177	18.0
165.09111	0.6
165.12772	2.3
167.10623	0.6
169.10091	2.8
171.10350	0.7
171.11714	2.3
173.09625	2.9
173.13211	2.8
175.11165	1.8
175.14819	1.2
177.12747	3.8
181.12228	0.5
183.11716	2.9
184.07330	1.1
185.13367	1.2
187.11229	1.8
187.14799	0.8
189.11212	4.2
189.12770	1.3
191.10623	0.8
191.14287	1.1
195.00316	0.7
195.13803	10.0
197.13248	2.5
201.12759	1.3
205.12221	1.2
213.14775	1.3
215.14330	1.0
215.17888	1.0
223.13281	18.6
229.19489	3.2
239.17926	7.4
247.20598	3.0
257.16364	0.9
257.19016	13.8
275.20056	100.0
276.20361	1.6
291.19476	0.7
293.21091	48.2
294.21393	0.7
297.38840	0.5
352.19324	0.5
361.03052	0.5
392.56665	0.5
410.73462	0.6
457.59589	0.6
487.33890	1.5
522.32416	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	522.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.3
55.05516	20.3
56.94160	3.3
57.03443	4.9
67.05502	44.0
69.07076	14.7
69.17710	3.0
69.21973	22.2
79.05486	37.9
81.03428	5.7
81.07052	82.6
83.04994	5.0
83.08622	15.4
86.09709	5.3
91.05470	29.7
93.07049	40.0
95.04979	10.7
95.08607	23.2
97.06535	9.0
105.07022	28.5
107.04951	9.8
107.08608	25.9
109.06506	21.9
109.10172	6.7
111.08060	4.5
117.07014	7.6
119.08578	21.6
121.06531	5.0
121.10146	15.2
125.09652	4.7
131.08569	10.1
133.10123	17.5
135.11690	11.4
145.10187	10.8
147.11700	11.6
149.13228	17.9
151.11195	5.4
151.83029	3.5
157.10143	4.0
159.11714	16.2
163.11221	5.9
163.14841	3.8
173.13284	4.7
177.12738	6.4
184.07347	13.9
189.11259	4.4
193.12439	4.4
195.13850	9.8
229.19560	5.6
254.91701	4.8
257.18985	15.8
275.20053	100.0
277.21683	5.8
293.21112	37.1
294.54492	4.0
416.28168	4.9
432.95828	3.7
469.33163	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.7
55.05513	4.7
57.07070	1.6
60.08162	2.9
62.06093	3.4
67.05508	2.8
67.12763	0.5
68.14359	0.5
69.03425	2.2
69.07066	9.8
71.07370	1.2
71.08613	1.1
71.43721	0.7
72.08138	0.5
74.06087	0.6
79.05492	2.5
81.03449	0.7
81.07055	5.5
83.04988	0.8
83.08619	5.9
85.02900	0.5
85.05968	0.5
86.09702	13.2
90.59081	0.5
91.05495	2.1
93.07027	5.4
95.04968	0.9
95.08599	5.8
97.10180	2.9
98.98484	1.4
100.07601	5.2
104.10759	1.3
105.07037	3.5
107.08600	4.5
109.06521	1.5
109.10151	3.6
111.04449	2.2
111.11725	0.8
117.07034	2.0
119.08587	4.3
121.10149	3.8
123.08035	0.7
123.11709	1.5
124.99996	8.6
125.13300	0.5
126.09176	0.9
126.75252	0.6
129.04643	0.5
129.05426	2.4
129.06990	1.2
131.08572	3.6
133.06450	0.6
133.10114	3.8
135.11703	2.0
137.05984	0.8
137.13234	0.8
143.08578	1.9
145.10100	3.7
147.11667	3.5
149.13242	1.2
155.07025	3.1
157.10083	2.5
159.11653	3.2
161.13271	2.1
163.14815	0.8
165.09079	0.5
169.08655	4.3
169.10022	1.0
171.11723	2.1
173.13252	2.4
175.14778	0.9
179.10812	0.6
183.11772	1.6
184.07332	45.9
185.07599	0.7
185.13274	3.0
187.14888	1.4
189.09019	0.6
196.63377	0.6
197.13257	1.1
199.14871	2.4
201.16385	1.4
203.18092	0.6
207.10097	0.6
211.14819	0.8
213.13046	0.5
213.16325	1.2
216.12273	0.6
225.16461	1.2
227.17929	1.0
229.19458	0.5
232.59045	0.5
235.47552	0.6
241.19594	1.1
243.13840	0.9
245.15495	0.6
255.21292	0.8
261.14886	0.9
281.22760	0.6
285.18658	0.8
303.19522	1.3
320.18805	0.6
331.22540	0.6
401.30585	1.5
443.35492	1.3
462.26074	1.1
504.31180	3.2
504.40549	1.9
522.41522	100.0
523.25897	0.6
523.41791	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	523.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
55.05503	0.8
56.61255	0.1
57.03439	0.2
57.07073	0.3
60.69487	0.1
62.01604	0.1
63.02386	0.4
65.03943	0.2
67.05502	1.5
69.03415	0.5
69.07059	0.6
71.04988	0.4
77.03945	0.2
79.05487	1.5
81.03416	0.1
81.07053	6.0
82.07405	0.1
83.04990	0.3
83.08624	0.3
84.85893	0.1
85.02904	0.5
85.06548	0.4
87.04478	0.1
89.03909	5.5
91.05479	0.5
93.03398	0.1
93.07030	1.2
95.04974	1.1
95.08604	2.0
96.81971	0.1
97.02901	0.4
97.06526	0.1
97.10170	0.3
99.08107	0.3
101.13050	0.1
103.05453	0.3
105.04511	0.2
105.07023	0.7
106.07369	0.2
107.04949	1.9
107.08587	0.8
109.02859	0.1
109.06499	0.3
109.10139	0.7
111.04453	0.2
111.08091	0.2
111.11707	0.1
113.06039	0.1
115.03941	0.1
117.03369	7.3
117.07006	0.2
119.04959	0.2
119.08579	0.8
120.08093	0.2
120.08933	0.2
121.06513	0.2
121.10119	0.4
122.03608	0.1
123.04449	0.1
123.08074	0.2
123.11700	3.5
127.11187	0.1
129.07014	0.1
131.04953	0.3
133.04932	0.2
133.06502	0.1
133.10132	1.0
134.03499	0.1
134.10434	0.2
135.04410	15.3
135.11679	0.4
136.04720	0.2
136.12019	0.1
137.05972	1.4
137.09622	0.1
137.13184	0.1
139.03883	0.1
139.22298	0.1
140.82071	0.1
141.12704	0.1
145.02841	10.7
145.10040	0.2
147.04327	0.5
147.11679	0.3
149.05969	0.1
149.13222	0.3
151.03860	0.2
151.07539	0.2
151.11166	0.4
153.12775	0.1
159.11708	0.1
161.05904	0.2
161.13239	0.1
163.03893	100.0
164.04219	1.1
164.07074	0.2
165.05490	0.1
165.12709	0.1
166.08739	0.1
167.06995	0.2
167.14305	0.1
169.12236	1.1
175.07553	0.2
175.14848	0.9
176.15152	0.8
181.04887	0.2
181.08571	0.3
183.25406	0.1
186.05467	0.2
187.07564	0.1
187.13277	0.4
189.16371	0.1
193.12271	0.1
193.15822	0.1
194.12541	0.1
195.13728	0.1
199.09543	0.1
211.16893	0.2
213.14796	0.2
221.05966	0.1
223.68709	0.1
229.17941	0.4
289.25122	0.3
295.09671	0.1
307.26260	0.3
319.08154	0.4
325.16470	0.8
327.12347	0.1
331.15152	0.2
337.09070	0.4
343.17288	0.3
505.20673	2.8
523.19360	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	523.2175
Annotation	(7S,8R)-Dehydrodiconiferyl alcohol 9-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03923	0.2
55.05502	0.6
56.83698	0.1
57.03405	0.1
57.07062	0.2
63.02362	0.3
67.05502	1.5
67.27171	0.1
69.03422	0.5
69.07047	0.6
69.82140	0.2
69.82533	0.3
71.04974	0.5
77.66531	0.1
79.05497	1.7
81.07055	5.9
82.07410	0.2
83.04955	0.2
83.08611	0.3
84.23985	0.1
85.02905	0.4
85.06528	0.3
87.39638	0.1
89.03909	5.1
91.05470	0.7
93.07033	1.1
95.04971	1.1
95.08594	1.9
97.02890	0.2
97.10154	0.4
98.23383	0.2
99.08099	0.2
105.07024	0.9
106.07352	0.2
107.04961	1.7
107.08562	0.7
109.02882	0.1
109.06494	0.4
109.10165	0.7
117.03374	7.2
119.04974	0.1
119.08575	1.1
120.08952	0.3
121.06480	0.1
121.10094	0.4
123.11699	3.6
125.09601	0.2
133.10138	1.2
134.10413	0.3
135.04407	14.7
135.11699	0.3
136.04790	0.1
137.05983	1.6
137.13200	0.3
145.02844	11.3
145.10109	0.2
146.03160	0.2
147.04376	0.8
147.11684	0.3
149.13258	0.3
151.07497	0.2
151.11168	0.4
153.12671	0.2
161.05994	0.3
163.03893	100.0
164.04205	1.1
165.05453	0.3
167.06931	0.3
169.12204	0.9
171.05875	0.1
175.14806	2.0
176.15147	2.2
177.05511	0.1
181.08586	0.3
187.13324	0.4
211.16957	0.3
217.53345	0.1
221.05980	0.1
229.17996	0.2
253.04759	0.1
273.04013	0.1
289.24973	0.2
293.41086	0.1
296.94128	0.1
303.15805	0.3
307.26248	0.3
319.08115	0.5
325.16385	0.9
325.27090	0.3
337.09180	0.3
343.17670	0.1
505.20676	2.5
523.20941	0.5
523.29053	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	523.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.2
55.05510	0.8
55.52338	0.1
57.07087	0.3
58.31327	0.1
59.04986	0.3
59.05287	0.1
63.02382	0.4
65.03910	0.2
67.05511	1.6
69.07072	0.9
71.04990	0.5
77.03908	0.2
79.05495	1.7
81.07056	6.7
83.04969	0.5
83.08627	0.3
85.02917	0.3
85.06538	0.5
89.03918	6.0
91.05476	0.6
92.48978	0.1
93.07043	1.2
95.04968	1.0
95.08595	1.9
97.02834	0.2
97.06462	0.2
97.10160	0.3
98.22683	0.3
99.08086	0.3
99.81244	0.2
105.04507	0.2
105.07020	0.6
105.64455	0.2
107.04951	1.7
107.08575	0.8
109.06504	0.3
109.10159	0.7
111.08083	0.2
117.03382	6.9
119.08554	0.4
121.06462	0.2
121.10143	0.6
123.11706	3.6
125.05930	0.2
133.10129	0.5
135.04416	15.3
135.11700	0.3
137.05995	1.0
141.12724	0.2
145.02849	11.0
147.11676	0.2
149.13336	0.2
151.11191	0.9
159.11681	0.2
163.03900	100.0
164.04286	0.8
165.05461	0.2
165.09029	0.2
169.12215	0.9
175.14822	0.3
181.04941	0.2
181.08549	0.1
181.12155	0.2
187.13293	0.6
203.05258	0.2
212.79939	0.1
270.05017	0.2
289.25290	0.4
301.10355	0.2
303.15796	0.2
307.26318	0.4
319.08173	0.7
325.16391	1.4
337.09207	0.4
343.17563	0.3
343.22467	0.2
505.20700	3.3
523.28912	4.4
542.88202	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	523.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
55.05503	13.3
57.03426	2.0
57.07072	3.5
59.04997	2.0
60.65425	0.7
60.69170	0.7
61.55057	0.7
63.05879	0.6
65.65998	0.6
66.79560	0.7
67.05205	0.7
67.05499	19.0
69.03420	2.5
69.07066	4.8
69.10439	4.8
71.04987	9.6
75.20688	0.6
79.05481	6.9
81.07050	100.0
81.75382	0.8
82.07410	0.8
83.08613	2.9
85.02912	3.4
85.06534	7.0
89.06022	3.2
91.05452	2.7
93.07037	10.0
95.04960	6.8
95.08598	22.5
97.02879	2.3
97.10160	10.9
97.55089	0.8
98.23528	1.3
99.04441	2.2
99.08106	3.7
105.07018	3.4
107.08601	5.2
109.06493	3.6
109.10120	3.4
111.08112	3.9
113.06031	1.1
119.08575	1.7
121.10110	0.8
123.11697	82.1
127.07610	0.7
129.30690	0.8
133.10103	5.7
137.05942	0.8
141.12762	4.4
151.11174	19.5
169.12225	70.9
175.14806	0.9
187.13284	27.1
193.15875	3.8
211.16930	2.7
229.17978	0.9
331.17505	2.2
343.17508	3.1
361.18506	6.8
523.29132	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67400	0.4
53.03946	1.0
55.05510	12.8
57.03437	2.0
57.07082	3.6
59.05002	1.6
59.53347	0.5
65.03945	1.1
66.04702	0.6
67.05505	20.0
69.03427	3.5
69.07076	5.7
69.16104	3.5
71.04995	9.1
79.05494	6.7
81.03410	1.1
81.07058	100.0
83.04992	1.2
83.08621	2.3
84.08176	0.7
85.02905	2.7
85.06544	7.4
89.06036	2.9
91.05469	3.2
93.07043	10.7
95.04970	8.0
95.08610	21.5
97.02888	1.7
97.06541	1.2
97.10172	12.5
99.04460	1.7
99.08092	2.0
105.07036	3.1
107.04988	1.1
107.08582	5.1
109.02873	1.1
109.06523	4.2
109.10165	3.5
111.04456	0.8
111.08073	4.1
113.06033	1.3
113.09661	0.8
115.02514	0.5
120.08121	0.9
121.10159	1.2
123.08090	1.2
123.11709	82.6
124.07597	0.7
127.03883	0.9
131.04956	0.7
133.10133	4.7
135.04416	1.2
137.05974	3.1
141.12738	4.7
145.04936	0.5
147.04393	1.0
151.11180	19.8
153.17891	0.5
161.05952	1.2
163.03870	3.2
163.07599	0.7
165.05481	0.9
169.12241	73.8
169.49541	0.6
170.12575	0.8
175.14905	0.6
187.13292	37.7
193.07071	1.0
199.10869	0.8
206.60880	0.5
226.60080	0.5
229.10530	0.5
291.65289	0.5
297.11139	0.7
331.17368	1.5
343.17484	5.6
361.18570	5.2
455.49402	0.6
498.81607	0.5
523.24396	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2883
Annotation	Scutenisin
Peak:m/z	Relative Intensity
50.80942	0.4
56.06066	0.4
57.03439	0.5
67.05490	0.7
67.62831	0.4
69.03431	0.6
69.07071	0.4
70.46034	0.9
79.05485	0.6
81.07076	1.2
85.02919	0.9
87.72191	0.4
91.05527	0.5
93.07033	0.6
94.95269	0.4
95.08627	0.5
97.02727	0.6
97.06557	0.6
105.07004	0.5
107.08598	0.5
109.10143	0.6
111.08102	0.6
112.01576	0.4
119.08559	0.7
121.10148	0.6
126.13608	0.4
127.04001	0.5
128.62244	0.5
130.32161	0.5
131.08614	0.4
135.66333	0.4
137.06009	0.9
138.93991	0.4
158.51852	0.5
163.03926	0.9
175.14925	0.5
177.01938	0.6
230.47227	0.4
233.08330	0.5
361.23563	1.4
421.62711	0.5
435.23489	4.6
437.21548	2.1
505.27591	1.3
523.28815	100.0
524.29022	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	523.3035
Annotation	schiprolactone A
Peak:m/z	Relative Intensity
55.05508	0.8
67.05495	1.1
69.13446	2.8
69.13847	1.3
79.05489	0.7
80.42016	0.7
81.07056	1.8
88.04015	0.9
95.08604	1.1
98.22564	1.1
107.08644	0.7
149.02333	1.4
184.07378	1.4
185.07767	1.4
185.84906	0.6
186.07841	0.7
193.05009	2.4
203.93489	0.6
237.07704	0.7
238.65987	0.6
239.73044	0.6
242.60332	0.7
259.93079	0.6
312.32913	0.6
323.16257	1.7
337.59100	0.7
338.27634	1.4
473.55414	0.7
523.30328	100.0
523.37177	4.0
524.30383	3.7
544.29608	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	22.1
57.03428	4.0
57.07081	10.9
59.04994	3.3
67.05508	32.4
69.03425	14.5
69.07068	97.9
69.84579	2.9
71.04988	19.7
79.05504	19.2
81.07057	100.0
83.04988	5.8
83.08627	17.4
85.02913	13.5
85.06541	11.4
87.04477	3.5
91.05476	9.2
93.07045	50.5
95.04967	4.4
95.08607	82.6
97.02895	6.4
97.06529	10.5
97.10163	11.4
99.08110	6.5
105.07051	26.7
106.07360	4.6
107.08599	41.5
108.08948	5.6
109.06481	3.9
109.10149	64.5
111.08111	6.0
111.11723	28.3
115.03892	7.4
115.07590	3.3
117.07011	3.4
119.08598	27.8
120.08904	3.6
121.10154	52.6
122.10472	8.9
123.08087	3.4
123.11700	47.4
125.09642	9.0
127.11212	8.2
131.08481	3.7
133.04961	4.7
133.10107	16.4
135.11693	37.4
136.12021	5.4
137.05972	7.1
137.09613	30.9
137.13277	13.3
138.10010	15.7
139.11185	27.1
143.10684	5.8
145.10153	7.5
147.11707	15.4
149.13275	34.6
151.07552	4.0
151.11232	4.9
151.14850	7.5
153.12711	8.5
159.11703	6.2
161.13248	10.1
163.03946	13.0
163.14818	13.9
164.15161	5.6
165.12755	6.3
167.14319	5.4
173.13245	6.5
175.14842	16.6
176.15176	8.4
177.16435	9.3
181.12236	3.5
181.15872	5.0
182.16257	4.4
189.16441	6.6
189.28140	3.4
193.15881	36.1
194.16216	38.5
195.17551	4.4
201.16458	4.7
203.17960	10.5
209.15318	3.4
211.16994	19.6
212.17258	20.5
215.17967	4.9
228.04745	9.7
229.05116	13.8
229.17937	7.5
233.19020	3.0
251.20003	3.9
271.24203	22.9
277.25299	25.7
279.25766	2.9
289.25296	56.4
289.28445	5.8
295.26260	15.0
307.26321	93.4
325.27414	12.2
361.18341	4.1
391.10291	5.2
523.21704	7.7
523.28705	31.2
524.24438	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	523.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.05511	10.3
57.07062	5.8
63.30931	2.0
65.03963	1.9
67.05505	17.7
69.03423	5.4
69.07069	32.2
69.19577	11.0
71.04988	4.5
77.03932	1.7
79.05493	15.3
79.11110	1.7
81.07059	100.0
81.42029	1.5
83.04974	4.1
83.08614	6.8
83.33373	1.6
85.02895	4.8
85.06531	6.5
91.05483	13.3
93.06454	2.4
93.07043	42.3
95.04964	7.5
95.08603	25.1
97.02863	2.5
97.06539	10.6
97.10151	3.8
98.23491	3.1
99.08100	2.4
105.07044	16.3
107.07920	3.3
107.08597	40.2
109.06515	9.8
109.10158	27.9
111.08082	27.1
111.11721	7.6
113.06001	2.6
114.76123	1.9
119.08587	8.3
121.10150	13.4
123.08096	2.8
123.11704	28.1
125.09592	2.6
131.04958	2.2
131.08679	2.1
133.10143	22.4
135.11685	10.2
136.12053	2.8
137.06012	4.6
137.09633	3.3
137.13252	9.1
139.11191	12.6
144.11305	1.7
145.10139	2.7
147.04398	2.3
147.11700	6.3
149.13240	8.4
151.03975	2.3
151.11183	38.7
153.12741	6.7
155.14262	2.7
159.11732	3.4
161.06006	2.6
161.13211	4.4
163.03845	3.4
163.14842	4.1
165.09071	2.9
165.12733	5.1
167.07040	8.0
169.12250	7.1
173.06058	3.0
173.13200	2.5
174.10959	1.7
175.14793	6.4
177.16356	3.1
179.03404	3.3
181.12215	4.9
189.16403	3.4
195.17398	2.0
203.17908	4.7
217.05043	1.9
221.18983	1.9
245.22810	2.2
259.24231	2.2
271.24170	6.9
277.25095	14.6
289.25256	61.0
307.26315	92.3
325.27353	7.1
329.13834	3.3
355.15442	3.0
469.31543	2.6
523.21796	3.3
523.28796	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	524.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99298	0.9
53.03931	1.7
57.03429	2.3
62.02201	1.1
65.42004	0.9
67.05502	2.1
68.10229	1.0
69.03431	6.2
71.01355	1.9
71.34287	1.3
73.02911	5.6
75.09893	1.1
77.03932	1.2
79.05497	12.8
81.03400	3.2
81.07056	3.5
85.02906	6.2
87.04465	2.4
91.05495	2.2
93.07016	2.8
95.04972	23.8
97.02891	4.4
97.06530	1.4
103.05462	3.8
105.03407	2.0
107.04951	100.0
108.05278	1.4
109.02880	13.1
109.06521	3.2
115.03931	2.8
121.06533	6.7
123.04413	7.7
125.02360	11.3
125.05981	3.5
127.03909	2.0
131.04941	2.6
133.02863	8.3
133.05009	1.6
135.04446	3.2
135.08086	1.8
137.05971	2.6
145.70590	1.1
149.05983	14.9
151.03902	87.1
153.05466	12.5
159.04404	1.9
161.06059	1.4
163.03914	2.8
163.07550	4.0
167.07039	9.1
167.37335	1.0
174.63336	1.1
177.05507	14.6
184.89725	1.0
195.06525	33.6
195.10124	3.3
207.13866	1.2
213.07579	87.5
213.10994	16.1
214.15071	1.1
229.10603	1.2
262.51083	1.2
314.19632	1.1
356.37543	1.2
375.12781	1.9
525.23145	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26721	1.4
55.05510	7.7
57.03436	10.0
57.07069	8.5
64.23995	1.4
66.72218	1.3
67.05502	2.7
69.03422	17.8
69.07063	45.4
71.04631	2.2
71.04988	21.3
73.02908	3.4
75.04461	2.1
79.05483	5.0
81.03407	1.6
81.07053	10.2
83.04973	2.3
83.08604	4.1
85.02403	2.7
85.02903	44.7
85.06542	3.3
85.38728	1.4
87.04465	10.0
91.05484	10.7
93.07025	6.2
95.04948	3.7
95.08587	9.4
97.02886	18.5
97.06527	5.6
97.10179	6.6
99.04431	1.8
99.11752	2.4
103.05482	2.7
105.07016	7.4
107.04936	2.0
107.08584	7.2
109.06513	3.1
109.10139	3.0
111.08086	4.8
111.11715	18.5
115.03923	15.1
117.07049	3.0
119.04944	8.2
119.08572	12.7
120.08899	4.4
121.06506	3.8
121.09272	3.2
121.10146	11.3
122.03665	2.0
123.11665	2.5
125.09624	5.5
127.03939	1.9
129.05478	13.6
129.06998	5.1
131.04941	5.1
133.04961	11.5
133.10129	6.6
134.10425	1.7
135.04475	1.4
135.08061	1.7
135.11703	10.8
136.05267	1.6
137.05971	51.8
137.13222	4.1
139.11166	21.6
143.04903	2.1
145.04921	2.8
146.08115	2.6
146.10373	1.4
147.06522	5.5
149.05960	7.1
151.03836	2.7
151.07524	56.6
152.07867	1.3
157.06520	5.4
161.05956	7.3
161.09650	1.6
163.03883	6.3
163.07536	20.8
164.04269	2.5
164.09204	7.0
165.09146	3.8
167.08540	3.9
171.08136	1.8
174.06757	2.3
175.07524	7.8
175.14799	10.1
176.15161	6.1
177.05434	2.1
177.09120	14.6
177.12833	2.9
177.16409	22.0
189.09129	17.9
191.06873	1.5
193.06467	3.2
193.10132	2.7
195.08040	7.6
195.10164	4.0
195.13757	8.4
195.17429	38.7
207.10124	2.2
209.09698	2.3
213.15015	3.7
213.18471	81.6
221.05914	3.5
221.09644	5.5
221.11679	1.5
223.07535	3.6
224.08212	1.9
225.09067	4.0
227.10646	16.8
240.07845	2.6
249.09061	3.2
249.11374	1.5
253.08661	6.7
253.12215	10.3
255.10162	17.7
265.08676	1.9
267.10010	2.1
269.11700	1.5
272.10449	1.6
281.11740	3.0
285.11179	13.2
287.12741	27.1
299.12790	1.6
311.12961	3.6
313.14355	28.2
331.15375	100.0
332.15689	3.8
343.15393	5.4
355.15375	3.6
367.15283	4.8
385.16357	2.0
397.16412	1.7
423.17987	1.9
441.18784	1.7
477.21042	4.2
525.23053	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	524.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34674	0.8
55.01867	5.7
55.05517	5.9
57.03429	2.9
57.07075	1.1
62.06073	0.8
67.05509	9.5
69.03430	0.9
69.07066	8.9
69.65802	2.2
79.05492	7.6
81.03426	1.7
81.07054	23.2
83.04983	3.3
83.08618	3.1
85.06533	1.1
91.05483	5.7
93.07059	6.1
95.04960	1.5
95.08601	7.8
97.06524	2.5
97.10184	0.8
98.22683	0.8
102.94299	0.7
105.07021	5.2
107.04946	1.1
107.08607	5.9
109.06509	9.1
109.10171	5.5
111.04448	15.4
111.08094	1.9
113.74994	0.9
116.04735	1.4
117.07090	1.7
118.14632	0.7
119.08562	5.5
121.10139	5.7
121.91784	0.7
123.08061	2.5
123.11693	2.0
125.05980	5.7
125.09604	0.7
129.05486	4.3
131.08575	3.4
133.10130	4.1
135.08043	2.3
135.11676	5.0
136.25223	0.8
137.05977	100.0
137.09584	1.6
137.13269	2.4
138.06264	0.9
139.07552	0.8
140.58014	0.7
143.07047	0.8
143.08536	0.9
143.21303	0.8
145.10114	1.9
147.08035	1.0
147.11710	5.7
149.09613	5.7
149.13252	1.9
150.09241	0.7
151.07545	3.3
151.11183	1.1
153.09178	0.8
157.08595	2.2
157.10109	2.5
159.11665	1.8
161.09631	6.0
161.13274	3.8
163.03909	1.2
163.11122	3.5
163.14801	1.7
165.09120	3.4
165.12833	1.3
171.11780	1.8
173.02283	1.0
175.11145	5.5
175.14787	1.7
177.12784	1.0
179.10625	1.5
180.13806	1.2
187.03940	0.8
189.12730	1.2
193.12192	2.0
199.03894	0.9
203.17940	7.6
213.16434	3.8
213.18251	0.8
216.06409	1.5
221.19052	2.2
229.14336	1.5
231.17462	9.9
241.15804	1.0
247.09192	0.9
249.18536	7.6
275.20020	1.1
277.17990	50.5
278.18338	1.2
295.19043	8.8
311.13016	0.9
320.22272	3.4
337.14487	1.8
349.23666	3.9
351.21652	51.4
355.15414	6.4
383.24277	55.3
384.24454	2.0
431.18088	1.8
472.24475	1.7
492.23425	3.6
524.26581	2.9
525.29663	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.4
55.05510	7.2
57.03437	15.5
59.05011	3.6
64.27682	2.4
67.05494	6.1
69.03431	46.4
69.07073	11.8
69.41457	9.1
70.43958	2.3
71.01340	2.3
71.04996	2.6
73.02924	9.9
79.05511	6.3
81.03413	5.4
81.07053	16.7
82.97440	2.2
83.08621	5.1
85.02908	44.5
85.06557	2.7
87.04470	32.0
91.05482	4.0
91.95653	2.1
93.07040	14.2
95.04970	3.4
95.08601	33.2
97.02888	52.5
97.03489	3.6
97.10154	5.6
99.08092	7.4
105.07028	7.8
107.08593	25.5
108.08846	2.4
109.02840	4.1
109.10156	13.4
113.09641	2.8
115.03928	55.1
119.08560	6.8
121.10139	38.4
123.11685	4.3
127.03909	11.6
131.08545	3.5
133.04959	59.8
133.10133	4.1
135.11702	7.5
137.13298	7.3
145.04953	9.8
145.10175	3.2
147.04414	2.4
147.11667	3.3
149.13283	3.3
156.73013	2.2
159.11728	3.7
163.03984	7.0
163.06010	4.7
163.14806	2.8
169.04889	2.4
171.11777	3.1
173.13394	4.1
175.14842	7.3
177.16379	100.0
177.17940	5.3
178.16701	4.2
189.16393	3.2
192.70580	2.7
195.17439	21.2
201.16394	2.9
203.05009	2.6
219.17494	4.6
223.05925	4.0
243.17389	2.6
248.89828	2.6
255.17479	2.8
259.08151	6.9
273.18652	5.3
274.08411	2.6
285.18579	2.8
291.19659	6.1
291.26730	2.9
295.10275	10.3
309.20532	7.8
420.84393	2.5
431.36633	2.5
492.18527	6.9
496.36539	2.3
524.20789	10.6
525.22729	3.5
547.17303	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	524.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01868	2.3
55.05508	9.0
57.03436	4.5
57.07074	4.8
58.30714	0.9
61.02922	3.4
63.25756	0.8
67.05501	5.7
69.03426	9.1
69.07059	14.9
69.07395	1.2
70.20376	1.9
71.01372	1.1
73.02911	18.8
73.03290	1.5
75.76601	0.7
79.05495	7.9
81.03416	1.5
81.07054	16.9
83.08610	11.3
85.02900	22.0
87.04449	1.4
91.05468	7.6
93.07042	23.4
94.07359	1.0
95.04975	1.4
95.08599	45.0
97.02881	15.3
97.10155	5.3
99.04446	1.2
105.07017	8.4
107.08585	58.0
109.02875	2.5
109.09404	1.4
109.10146	13.7
111.08032	1.5
113.81898	0.9
115.03915	8.7
119.08553	5.0
120.08128	0.9
120.08916	1.2
121.10136	86.8
122.10423	1.1
123.08057	0.9
123.11703	6.4
125.09609	1.9
127.03895	7.9
132.06569	1.1
133.04958	11.8
133.10109	4.1
134.10446	1.8
135.10777	1.0
135.11687	23.1
136.12048	1.2
137.05980	0.9
137.13246	34.3
137.76682	0.8
139.11191	3.9
139.93123	0.8
145.04944	11.6
149.13239	8.7
150.07597	1.7
151.03859	1.1
151.14772	1.5
163.03926	1.7
163.06036	8.4
175.14790	4.5
176.15190	2.0
177.16374	100.0
178.16667	1.8
195.13850	3.3
195.17433	21.3
198.00592	0.8
199.06042	0.8
217.07123	1.0
223.06023	1.6
223.74020	0.9
241.06995	3.4
241.80356	0.8
259.08096	9.8
277.09201	3.0
291.19293	1.0
295.10202	7.4
309.20697	1.1
484.94653	1.0
525.22620	1.6
550.20856	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3719
Annotation	PAF C-16
Peak:m/z	Relative Intensity
56.05027	0.6
57.03434	0.3
57.07067	0.7
58.06374	0.3
58.06620	0.6
60.07871	0.4
60.08163	5.4
63.90354	0.2
67.05498	0.8
69.07073	0.3
70.87232	0.3
70.87576	0.3
71.07368	2.8
71.08619	0.8
75.62289	0.2
79.05474	0.3
81.07058	0.5
83.08617	0.4
85.10158	0.5
86.09704	28.1
93.07014	0.4
95.08615	0.7
98.98456	2.7
104.10739	2.4
108.20816	0.2
109.10149	0.3
125.00003	17.6
135.11618	0.3
142.85028	0.3
154.94109	0.3
172.91513	0.3
172.95238	0.4
184.07338	100.0
185.07674	0.8
210.97697	1.2
253.25183	0.3
323.49686	0.3
497.66400	0.3
506.35980	1.3
524.23914	0.7
524.37360	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	524.3717
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05508	0.5
56.05030	1.3
57.03433	0.3
57.06808	0.3
57.07072	3.2
58.06578	1.8
59.07386	0.4
60.08163	17.4
67.05506	1.1
69.07061	0.8
71.07374	6.6
71.08634	1.9
81.07047	1.0
83.08620	0.5
85.10188	0.9
86.09705	50.4
87.10034	0.5
93.07030	0.3
95.08614	1.1
97.10178	0.3
98.23491	0.5
98.98460	3.9
104.10741	100.0
105.07015	0.3
105.11089	0.7
107.08560	0.2
109.10172	0.8
119.08603	0.2
125.00002	28.1
143.01123	0.2
163.01602	0.6
181.02710	0.3
184.07336	98.5
185.07735	0.5
258.11078	0.9
275.20059	0.4
302.65619	0.2
341.30487	1.2
506.36075	8.3
507.36481	0.4
524.37103	39.5
525.37903	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1974
Annotation	gelsemiol-6'-trans-caffeoyl-1-glucoside
Peak:m/z	Relative Intensity
50.79225	0.3
54.11766	0.4
57.03433	0.5
63.02391	0.4
67.05499	0.6
69.03427	1.5
69.07037	0.3
69.21866	1.9
79.05489	1.2
79.67394	0.3
81.03425	1.5
81.07045	0.8
85.02896	1.3
89.03917	5.6
91.05472	1.0
93.07037	1.8
95.04966	0.7
95.08582	0.9
97.02862	0.6
98.23418	0.7
107.04974	2.1
107.08602	0.7
109.02857	0.9
109.10123	0.8
111.04443	0.3
111.06876	0.3
115.03915	0.3
117.03385	8.9
119.08566	1.1
121.10128	0.6
123.04395	0.4
124.59514	0.3
127.03915	0.5
128.13853	0.3
133.04999	0.4
135.04416	16.0
136.49837	0.4
137.05942	0.9
137.09583	0.6
141.05476	2.4
145.02847	12.0
145.03871	0.4
147.04413	0.5
147.08118	0.3
163.03900	100.0
164.04219	1.0
165.09102	3.7
177.16309	0.5
178.16771	0.3
181.04959	2.3
183.10196	3.4
199.77167	0.3
201.11194	0.7
243.39383	0.3
307.08163	2.2
325.09125	5.3
335.09479	0.6
525.23035	23.8
526.23157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92870	0.4
67.05490	0.5
69.03415	1.5
69.77270	0.6
69.77654	0.8
73.02909	0.4
79.05503	1.7
81.03407	1.3
85.02906	1.1
86.39262	0.4
89.03912	4.7
91.05474	1.1
93.07049	2.9
95.04947	0.9
95.08599	0.6
97.02898	0.9
105.07016	0.5
107.04944	1.7
107.08578	0.4
109.02891	0.7
111.08059	0.4
117.03391	6.2
117.97969	0.3
119.08551	1.0
121.10138	0.5
127.03914	0.8
135.04417	14.1
137.05965	1.7
145.01685	0.5
145.02844	10.4
145.03943	0.7
153.05473	0.4
160.17235	0.3
163.03902	100.0
164.04251	1.4
165.09108	7.2
165.10416	0.5
181.03566	0.5
181.04950	2.3
183.10077	0.5
201.11188	0.7
254.03214	0.4
307.08051	2.2
325.09161	6.7
332.65158	0.3
335.09589	0.8
393.19073	0.4
525.23065	48.1
526.23431	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.05499	0.7
57.03424	0.7
67.05506	2.5
69.03402	1.0
69.07050	0.6
71.04968	0.7
71.43504	0.7
77.03926	0.9
79.05053	0.7
79.05490	8.7
80.52486	0.5
81.03409	0.7
81.07053	2.1
82.86361	0.6
85.02892	2.7
91.05478	17.5
93.07040	66.3
94.07345	0.8
94.34769	0.5
95.04967	5.7
95.08600	1.4
97.02878	0.8
97.39960	0.5
105.04507	2.0
105.07039	4.9
107.04946	0.6
107.08588	2.5
109.02893	0.5
109.06494	1.1
109.10148	2.1
117.07011	1.3
119.04940	1.9
119.07753	0.8
119.08585	15.0
121.06513	1.1
121.10115	4.7
123.04427	1.6
123.08062	1.3
135.08072	1.3
137.05966	14.6
137.09601	4.3
140.51271	0.6
141.05490	1.8
147.08047	4.9
153.09090	1.1
163.03870	2.3
164.04218	1.5
165.09109	100.0
166.09448	1.1
179.06976	1.2
183.10240	1.6
201.11209	38.2
215.09132	0.7
369.73325	0.6
383.91647	0.6
415.63416	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2909
Annotation	Sedumoside A6
Peak:m/z	Relative Intensity
55.01876	5.9
55.05518	6.5
57.03440	11.4
57.07079	3.2
59.04976	1.5
59.49080	1.5
61.02928	4.5
67.05496	3.5
69.03432	20.9
69.07078	10.3
69.94227	1.4
70.44798	1.6
70.99054	1.4
71.04996	3.5
72.20457	1.5
73.02916	16.6
79.05495	4.7
81.03420	5.9
81.07058	15.9
81.61909	1.5
83.08625	6.0
85.02908	52.1
85.06560	4.0
87.04475	2.7
89.03934	2.3
91.05482	4.8
93.07037	10.7
95.08606	21.4
97.02895	35.2
97.06548	3.1
97.10180	6.8
99.04470	4.5
103.03946	1.9
105.07034	3.9
107.04960	2.5
107.08594	21.7
109.02874	4.8
109.10184	8.7
111.08086	2.8
111.11700	2.0
115.03918	10.3
117.03371	2.7
119.08601	2.7
121.06582	2.9
121.10142	42.5
123.04471	1.9
123.11731	6.2
125.09661	2.8
127.03926	12.5
133.04970	14.1
135.04420	4.5
135.08051	1.9
135.11693	12.4
137.05981	12.2
137.13252	13.2
139.11180	5.1
145.04947	13.5
147.35155	1.8
149.05972	3.3
149.13322	4.1
151.07536	5.3
151.14798	2.5
161.05992	2.1
163.03905	30.8
163.06084	5.3
163.07510	4.4
165.16379	2.1
175.07608	1.6
177.16383	100.0
181.04958	2.9
185.11815	3.2
195.17439	92.9
200.99678	1.7
213.18504	11.9
241.07048	3.7
259.08127	2.0
299.12567	2.3
317.13797	15.1
384.23822	2.0
493.82706	1.7
525.25238	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	525.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.1
55.05510	15.2
57.07069	9.3
57.07350	2.2
66.49859	2.4
67.05502	26.7
69.03434	6.2
69.07065	37.7
69.18696	10.4
71.04987	10.8
71.08631	3.5
79.05506	12.7
81.07053	100.0
83.08615	20.6
85.02917	3.9
85.06544	7.9
91.05475	7.4
93.07027	25.0
95.04952	3.1
95.08601	96.3
97.06493	3.8
97.10188	11.0
99.08109	12.2
103.47909	2.1
105.07012	7.9
107.08596	29.6
109.02895	3.5
109.06492	2.3
109.10155	67.9
111.08101	5.5
111.11729	8.2
113.09690	3.1
119.08591	7.7
121.10125	21.6
123.11706	68.5
125.13266	6.9
127.03899	3.1
127.11210	19.1
133.10143	5.1
135.04417	3.8
135.11681	19.3
137.13239	25.7
139.11159	3.3
139.14778	2.3
141.12740	5.1
147.11673	4.5
149.13251	28.0
151.11218	3.0
151.14810	22.2
153.12747	15.6
155.14297	3.2
161.13214	5.6
163.03888	3.7
163.14841	13.3
167.14339	10.9
169.12297	3.7
169.15900	2.3
171.13820	3.8
175.14854	2.7
177.16399	8.3
181.15865	5.1
189.16341	4.7
191.17935	6.2
203.05353	2.1
203.17851	4.1
205.19537	9.2
217.19508	5.1
223.20502	2.7
235.20581	8.2
261.25931	4.2
267.08948	16.0
273.25720	20.3
279.26825	27.8
285.09970	15.4
291.26810	58.5
297.27856	2.6
299.11673	9.6
299.36575	2.4
309.27847	36.8
317.12756	9.7
327.28851	4.8
345.24252	2.8
345.29947	3.8
347.25650	2.9
525.22845	27.6
525.30188	70.6
526.23193	3.9
526.30792	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	525.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.05512	13.1
57.07071	8.1
64.69176	1.7
67.05506	19.8
68.71414	1.5
69.03420	4.0
69.07063	33.0
69.07401	2.8
70.94241	2.4
71.04991	9.6
71.08630	3.9
79.05483	10.8
81.07053	100.0
83.08620	16.0
83.21828	1.6
85.02896	4.2
85.06536	6.3
85.10153	1.8
91.05489	2.1
93.07032	18.3
95.08605	86.7
96.73924	1.5
97.02902	2.4
97.06541	2.3
97.10181	7.8
97.91103	1.5
99.08111	9.9
105.07053	4.9
107.08588	27.8
107.09249	2.2
109.10152	60.4
111.08078	3.8
111.11716	11.0
113.09642	3.8
119.08614	4.6
121.10146	20.6
123.11703	57.5
125.13249	3.3
127.11187	13.1
131.71820	1.9
133.10144	4.3
135.11699	13.8
137.13242	30.4
139.11147	2.5
141.12779	2.8
147.11687	4.9
149.13255	26.8
151.14822	14.1
153.12764	10.9
155.14270	11.1
161.13316	5.0
163.03928	5.1
163.14790	13.2
167.14355	7.2
169.12271	4.2
177.16377	8.9
181.15858	4.0
189.16418	2.4
191.17932	4.1
193.19479	2.5
203.17947	3.4
205.19585	7.6
217.19525	9.4
235.20547	4.5
253.21581	3.2
258.19482	1.6
261.25858	6.3
273.25757	20.4
279.26828	21.0
291.26776	50.4
309.27872	37.1
327.28848	3.9
345.30002	2.9
360.12091	1.8
503.39023	1.9
525.22870	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	525.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67585	1.2
54.00637	1.2
55.01870	1.8
55.05512	13.9
57.03418	1.8
57.07077	10.0
57.53406	1.1
59.05000	2.7
67.05501	16.7
69.03425	3.9
69.07065	43.4
69.22609	2.1
69.22996	3.9
71.05001	4.7
71.08636	6.1
73.06555	1.5
79.05486	11.4
81.07055	100.0
82.07394	1.4
83.04998	1.6
83.08625	15.9
85.02917	6.5
85.06525	8.3
85.10172	1.9
86.13275	1.3
91.05480	4.4
93.07047	27.4
95.08604	66.7
97.06529	5.3
97.10179	7.1
99.08098	4.4
105.07032	13.9
107.08590	27.8
109.02898	1.7
109.06522	2.7
109.10158	40.1
111.08089	16.0
111.11715	10.5
119.08575	8.4
121.10144	21.4
123.11705	33.8
125.09621	3.5
125.13253	2.8
125.48836	1.2
127.03909	1.9
128.31888	1.2
133.10144	4.9
135.11687	18.0
137.05988	1.4
137.13252	27.5
139.11188	4.7
145.04913	1.5
147.11699	10.6
149.13257	16.6
151.14828	3.9
153.12753	16.7
155.14253	8.4
161.13275	3.7
163.03923	1.5
163.14813	11.8
165.12756	11.6
165.16402	1.4
167.14420	1.5
171.13809	5.3
175.14888	4.0
177.16368	7.0
179.14333	1.9
183.13821	5.8
189.16400	2.6
189.22939	1.3
191.17932	4.4
201.14932	2.3
203.17946	2.5
205.19543	4.0
217.19551	7.0
222.02818	1.5
235.20573	4.5
253.21765	2.6
261.25790	2.6
273.25812	11.3
279.26807	7.7
291.26816	40.0
297.27936	7.9
309.27884	28.6
327.28976	20.8
345.30054	2.7
412.58173	1.4
421.48193	1.4
525.22565	4.5
525.29968	2.0
554.64600	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01870	0.6
55.61484	0.6
57.03437	1.3
61.02916	1.9
65.03922	0.6
68.78542	0.6
69.03433	4.9
70.10903	1.6
71.04993	0.7
73.02917	2.1
73.08992	0.6
78.04713	0.7
79.05479	1.2
80.05029	1.0
81.03414	1.7
81.04530	1.6
81.07059	1.3
82.06554	1.8
85.02409	0.7
85.02911	12.4
87.04472	1.0
88.40143	0.6
90.35782	0.5
91.05475	0.8
93.07059	0.8
95.04966	1.3
96.04494	1.0
97.02899	7.1
98.16426	0.5
99.04468	0.8
105.07037	1.3
106.04168	1.0
106.06557	0.9
107.04942	1.0
107.06081	1.5
108.04468	3.6
109.02853	2.5
109.03989	2.8
109.06522	3.7
115.03913	0.7
119.04839	0.6
121.06478	0.8
123.04419	3.0
124.03955	12.6
124.05249	1.1
125.03454	3.2
126.05520	0.8
127.03926	4.0
130.06517	1.1
131.06038	0.8
132.04463	0.9
133.06508	1.2
134.06020	15.0
135.03220	0.8
135.04420	1.2
135.05542	1.5
137.05945	2.0
144.06783	0.5
144.08058	3.4
145.04959	4.0
146.06039	1.4
148.07605	1.7
149.02350	1.0
149.03456	0.7
149.06055	0.8
151.03929	1.3
151.07538	2.3
152.04608	4.6
153.05511	1.3
153.06688	0.7
156.08165	1.0
160.03960	7.0
160.07553	1.0
161.05966	1.6
162.05515	6.2
163.06052	1.5
165.09070	0.8
167.03357	1.8
167.07040	81.8
168.08067	0.8
170.05988	2.8
172.03960	1.8
176.07106	2.5
177.06575	0.7
178.03674	0.7
178.06125	2.8
178.08650	1.0
179.07028	5.7
184.07605	3.6
185.08101	0.8
186.01840	0.7
186.09186	0.8
187.05061	1.0
188.03433	24.6
197.08081	5.7
202.06081	0.7
202.08655	2.0
203.04517	0.8
212.06972	3.3
214.08659	0.8
215.09160	7.9
220.07095	1.5
220.10779	1.0
230.07948	7.2
240.06544	4.4
248.06671	37.3
257.09207	0.8
258.07629	7.7
262.12076	0.8
290.11331	13.5
294.07187	13.3
300.09805	8.0
318.10849	73.8
319.11154	1.5
334.55371	0.6
346.10379	4.7
364.11374	100.0
365.11887	3.0
387.17447	0.6
477.91290	0.7
508.15417	0.9
527.13660	2.2
541.53564	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.3
57.03426	5.4
61.02900	1.2
67.05504	1.5
69.03445	7.4
71.01353	3.5
73.02921	11.9
78.77948	1.4
79.05476	2.2
81.03400	1.7
81.07054	15.9
83.04989	2.3
85.02897	8.2
93.07027	2.3
95.08589	3.3
97.02888	12.3
105.07008	4.2
106.54395	1.4
106.66889	1.3
107.04955	1.2
107.08639	1.3
109.06516	42.0
109.70592	1.3
115.03935	9.4
121.06512	2.1
123.08082	6.5
123.08821	1.2
127.03877	1.7
133.04974	3.4
133.06473	10.3
137.05984	11.0
140.50110	1.2
145.04985	2.4
151.07541	25.8
153.09105	2.2
161.05965	6.8
163.03833	1.4
179.07034	73.6
197.08089	37.8
215.09149	100.0
288.91348	1.3
311.11392	2.4
329.12354	4.2
341.12289	5.8
359.13391	3.7
526.22797	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.9
55.05510	2.8
57.03441	5.6
61.02932	1.8
65.95044	0.8
67.05500	1.0
69.03429	6.1
71.01356	2.5
71.05975	0.8
73.02917	9.6
76.29150	0.7
79.05476	2.4
81.03440	0.8
81.07058	15.5
83.04987	1.2
85.02912	5.4
91.05450	0.9
93.07053	2.1
95.04977	1.1
95.08600	2.4
97.02897	11.3
105.07033	6.1
107.08551	1.1
109.02925	0.8
109.05766	1.8
109.06516	38.5
115.03939	8.2
116.34299	0.7
121.06506	1.2
123.08070	6.3
127.03931	3.6
133.04968	2.1
133.06480	9.6
135.08058	1.7
137.05980	13.7
145.04941	2.5
149.05991	1.4
151.07541	28.6
161.05980	7.4
167.07098	0.9
179.07025	64.4
195.06566	1.2
197.08095	39.9
215.09149	100.0
216.09418	1.4
233.10347	1.0
241.07152	1.2
259.08179	1.3
295.10284	1.3
311.11340	1.7
329.12286	3.5
341.12262	5.4
359.13348	3.1
377.14526	1.1
386.95044	0.9
473.16376	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43438	0.9
55.01881	0.9
55.05509	4.4
57.03437	4.6
59.05022	1.2
67.05513	1.4
69.03431	16.4
70.50721	1.8
71.01363	2.6
73.02918	2.1
79.05499	3.3
79.45981	0.9
81.03421	2.9
81.07057	20.1
82.12577	1.0
83.04973	3.2
85.02908	11.1
87.04462	7.1
91.05468	2.4
93.07045	4.1
95.04950	2.0
95.08603	5.2
97.02273	1.4
97.02892	16.8
97.06512	1.4
99.04464	1.6
105.07035	7.8
107.04977	1.7
107.07920	0.9
107.08587	1.3
109.05768	2.4
109.06520	47.6
115.03930	11.3
121.06498	3.7
121.10188	1.1
123.08057	6.8
125.05999	4.9
127.03858	2.0
133.04979	7.1
133.06494	11.5
135.08090	1.3
136.12071	1.1
137.05978	14.2
139.03925	1.6
145.05040	1.5
149.05984	2.5
150.07582	1.3
151.07544	35.9
153.05467	11.5
154.06239	2.0
161.05983	10.2
163.03941	4.2
165.09129	2.0
167.07115	2.4
169.19078	1.1
170.05684	1.8
177.05492	3.5
179.07031	74.4
185.08105	25.4
195.06456	4.7
197.08083	40.7
215.09152	100.0
233.10138	1.3
248.06804	1.1
293.10358	1.6
294.07159	1.1
311.11273	5.2
317.13745	1.7
329.12332	3.8
341.12344	3.9
359.13339	3.1
365.08456	1.0
418.07098	1.1
473.16330	1.1
527.13574	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	526.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22098	1.2
53.03944	1.3
55.01871	2.0
55.05504	3.2
57.03422	3.9
58.98450	0.9
61.02915	3.4
69.03431	9.3
69.36507	2.5
69.36893	3.2
71.01354	2.6
71.05441	1.2
73.02541	1.6
73.02917	18.4
79.05489	3.0
80.83279	1.0
81.07063	22.7
83.04967	3.2
85.02903	12.4
91.05475	2.2
93.07040	4.5
95.05006	1.7
95.08628	6.2
97.02903	14.0
97.03497	2.0
99.04423	1.3
105.07021	7.7
107.04913	1.7
109.06520	45.9
111.08101	1.3
115.03941	7.2
119.97785	1.0
121.06490	2.0
123.08068	7.2
127.03899	4.6
133.04964	4.5
133.06487	12.2
135.08075	1.5
137.05963	14.6
145.04958	4.2
149.05980	3.0
151.07532	33.1
161.05980	8.6
163.03970	1.9
163.06001	2.0
167.07048	1.6
167.10727	1.7
169.04758	1.1
177.05516	1.1
178.08502	1.1
179.07031	85.0
183.10226	1.2
195.06573	2.2
197.08086	40.8
201.11279	2.1
215.09149	100.0
233.10185	1.3
241.07077	1.1
259.08249	1.2
293.10327	1.3
311.11157	4.9
317.13943	2.2
329.12320	7.8
341.12399	6.2
359.13297	3.5
473.16748	1.3
491.17471	1.6
526.24274	1.6
527.13995	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	526.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
57.03423	1.4
61.02902	1.3
65.03949	0.8
67.05494	0.8
68.66006	0.5
69.03422	3.5
69.07073	0.6
71.04984	0.9
71.45581	0.6
73.99287	0.6
75.04501	0.6
79.05471	3.2
81.03412	1.4
81.07056	3.7
85.02905	10.2
91.03928	0.7
91.05479	8.6
93.07047	8.3
95.04951	2.6
95.08586	3.1
97.02903	3.5
103.05443	1.0
105.07015	2.1
107.04929	1.7
107.08600	1.4
109.02869	1.4
109.06528	1.9
109.10150	2.0
111.04429	1.1
111.08076	1.4
113.06050	0.7
117.06962	0.7
119.04948	5.4
119.08556	1.1
121.06502	5.5
121.10137	13.3
122.03645	1.9
123.04420	4.1
123.08076	1.1
123.11678	3.9
125.05988	1.0
127.03922	1.6
128.06206	0.9
129.07004	5.1
131.04910	2.1
131.08574	1.2
133.06506	0.8
135.04388	2.5
136.05193	1.0
137.05978	47.2
138.06302	0.8
139.11177	1.9
145.04961	2.0
145.06462	0.9
147.04430	4.3
147.08057	2.5
149.05962	11.9
149.07042	1.0
149.09607	2.6
150.06761	1.6
151.03886	1.3
151.07547	29.0
153.05482	1.5
153.06999	0.7
155.10709	1.2
157.06473	4.5
161.05983	2.6
163.03915	3.5
163.06120	1.0
163.07538	6.1
164.08356	0.6
165.05574	0.7
165.07005	1.6
167.07088	0.9
167.08502	1.4
167.10672	10.3
168.56177	0.5
175.07545	16.3
177.16597	0.6
181.08530	0.6
183.08102	1.0
185.09747	0.6
185.11711	3.0
189.09096	1.8
193.04951	1.3
193.06516	1.6
193.08540	1.6
193.10188	1.8
194.05348	0.7
195.08064	3.1
197.09822	0.8
207.10107	1.0
210.06781	1.8
211.07564	2.5
213.09148	3.1
215.12851	0.7
221.06078	4.8
221.09590	1.8
223.07547	1.7
225.09096	2.7
227.10686	1.5
237.09355	0.7
238.06161	1.0
238.09961	0.6
239.07069	2.1
239.10652	1.2
241.08571	3.2
249.09148	1.8
253.08620	5.4
253.12260	2.9
255.10306	0.9
257.80576	0.6
258.08871	1.3
267.10107	1.4
270.08884	0.9
271.09650	15.6
272.09933	1.0
273.11215	8.1
281.11615	1.4
285.11215	1.1
297.11102	0.7
299.12796	17.3
311.15045	1.0
317.13834	100.0
318.14120	2.4
322.69284	0.8
329.13519	0.7
329.16550	0.7
332.08472	1.0
401.14304	1.2
526.13513	0.8
526.24994	0.7
527.17242	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	526.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.4
55.05503	1.5
57.03435	3.2
59.35695	0.9
61.02913	2.6
67.05483	1.4
67.28448	1.0
69.03432	9.7
69.07073	3.1
69.49898	1.7
69.50288	2.0
71.01337	1.3
71.04988	1.5
73.02920	4.1
79.05496	2.6
79.43622	0.9
80.67719	0.8
81.03426	3.4
81.07056	5.5
83.08626	1.9
85.02906	22.2
86.03220	1.3
87.04462	1.1
91.05474	6.9
93.07032	5.1
94.04148	1.1
95.04966	2.9
95.08636	5.6
96.08229	0.9
96.08902	1.5
97.02885	10.6
97.06533	4.2
97.10247	0.9
98.03284	1.3
99.04473	1.8
103.05469	1.9
105.07055	2.2
107.04976	3.2
107.08591	5.8
108.08920	1.9
109.02903	3.9
109.06531	2.7
109.10165	1.6
110.10495	1.0
111.08072	1.3
115.03939	3.3
119.04953	4.5
119.08533	1.3
121.02951	0.9
121.06528	5.4
121.10146	8.3
122.03651	2.1
122.10535	2.8
123.04428	4.9
123.11736	1.6
125.09617	2.3
127.03897	6.0
127.07568	8.4
129.07048	4.6
131.04951	3.9
133.04948	3.3
135.04440	2.2
135.08069	5.3
135.11710	2.6
137.05971	52.6
137.13240	1.9
139.11191	1.7
143.04996	1.0
145.02942	0.8
145.04980	5.8
146.05193	0.9
147.04431	4.4
147.08058	2.1
149.05966	12.1
149.09641	0.9
150.06732	2.2
151.07547	31.8
155.10703	1.6
157.06480	5.1
161.06027	3.2
161.09631	1.4
161.13251	1.1
163.03931	3.9
163.06178	2.0
163.07527	29.1
164.04272	1.8
165.05579	1.2
165.06982	2.1
167.07112	1.3
167.08598	1.1
167.10721	2.5
175.07542	17.8
176.07993	1.0
177.05473	1.0
177.09113	1.3
177.16382	10.7
178.16737	8.9
179.14355	2.1
181.08620	2.1
185.11729	19.2
189.09084	7.7
193.06570	1.7
193.08571	1.9
193.10197	1.1
195.08078	2.8
195.17487	10.0
196.17821	9.7
197.06065	0.9
197.15366	4.6
200.70953	0.9
205.97112	1.2
207.10211	4.8
209.07968	1.7
210.06793	1.5
211.07574	2.5
213.09126	3.6
214.18906	1.3
215.16362	2.1
221.05978	3.1
221.09616	2.7
223.07648	1.3
225.09055	2.3
239.07053	3.0
241.08699	4.8
249.09206	1.5
253.08641	4.6
253.12181	4.3
258.08850	1.9
267.10086	1.6
271.09631	15.8
273.11209	7.2
281.11673	1.9
285.11267	1.6
299.12766	17.8
317.13828	100.0
318.14236	1.7
329.13834	2.5
425.15903	1.3
526.23822	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	526.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01888	0.6
57.03427	1.8
57.07067	0.9
59.04991	2.0
61.00273	0.5
61.00595	0.6
61.02929	1.7
64.37434	0.6
65.63213	0.6
67.05503	2.4
69.03429	4.3
71.05007	0.7
71.17880	0.6
73.02930	0.7
73.99097	0.6
75.04484	0.9
77.03939	0.6
79.05487	8.8
81.03412	2.0
81.07057	22.0
85.02904	11.6
85.03403	0.8
87.04470	1.0
91.03934	0.6
91.05465	3.4
93.07043	17.9
95.04964	1.6
95.08601	14.4
97.02885	3.3
97.06535	2.7
99.04491	1.1
103.05425	0.9
105.07021	6.5
107.04979	1.8
107.08588	4.4
109.02871	1.4
109.06535	0.9
109.10158	2.4
111.08102	1.0
119.08588	1.8
121.06521	2.4
121.10143	100.0
122.10490	2.1
123.08075	1.8
123.11704	22.0
123.32556	0.6
125.05987	5.7
127.03909	3.0
131.04968	1.4
131.08554	1.2
135.04434	1.6
137.05972	4.8
137.09608	0.8
139.03909	0.7
139.11172	15.9
145.02922	1.1
145.04956	4.5
147.08015	0.8
149.05983	1.2
149.09612	9.7
151.07579	1.7
155.10683	1.3
163.03922	11.1
163.06018	1.7
165.05559	0.8
165.09164	1.0
167.10680	70.8
168.10997	1.2
173.13280	0.6
175.07635	0.7
179.10701	0.8
179.14377	0.8
182.05124	0.5
185.11729	5.7
197.11679	1.3
197.15273	0.9
215.16405	0.9
283.15436	0.7
293.13742	0.9
307.08011	0.8
311.14972	3.5
317.13895	4.0
325.09454	0.7
329.15891	1.7
355.19595	0.6
436.97482	0.6
526.24237	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
55.05499	1.0
57.03426	1.7
57.07063	1.2
59.04992	1.9
61.02920	1.0
67.05505	3.4
69.03418	4.6
69.07079	0.7
71.04994	1.0
73.02912	1.1
74.78077	0.4
75.04474	1.1
77.03912	0.7
79.05486	8.3
81.03406	2.5
81.07054	21.7
83.08625	0.5
85.02903	12.5
85.06566	0.7
87.04481	0.8
89.03918	0.8
91.05476	3.3
93.07043	14.3
95.04980	3.2
95.08600	13.4
97.02872	4.5
97.06521	2.1
99.04446	1.3
102.40781	0.5
103.05457	1.5
105.07024	5.7
107.04941	2.3
107.08586	5.4
109.02871	1.7
109.06490	1.2
109.10185	2.6
111.04437	0.7
111.08078	1.4
115.03931	1.1
117.03377	0.8
119.04987	0.8
119.08566	1.9
121.06506	1.6
121.10140	100.0
122.10506	1.7
123.08076	1.5
123.11697	19.3
125.05998	6.2
127.03921	3.6
131.04948	1.6
131.08553	0.9
133.07588	0.7
133.10133	0.7
135.04396	1.9
137.05980	5.1
137.09613	1.2
139.11169	15.6
145.02873	1.7
145.04962	5.3
147.04378	0.9
147.08104	0.6
149.05988	1.4
149.09608	11.9
151.07553	1.9
155.10678	1.8
161.05956	0.8
161.09665	0.5
163.03903	16.0
163.06035	2.3
163.07556	1.7
165.09065	1.0
167.10669	65.9
168.11055	0.7
175.07562	1.9
177.05496	0.5
178.08653	0.5
179.10645	0.8
179.14349	1.8
185.11732	4.8
191.03745	0.6
196.09796	0.8
197.10201	0.5
197.11807	2.2
197.15337	1.8
209.08124	0.9
215.16431	2.2
226.51904	0.5
233.39011	0.6
236.09099	0.6
271.09750	0.7
271.29813	0.5
283.15405	1.0
293.13806	0.9
299.12781	0.9
311.14984	4.1
317.13821	6.2
325.09012	0.7
329.16156	4.0
364.77328	0.7
526.24670	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.05507	10.8
57.03436	8.1
59.05003	1.5
60.04528	1.2
67.05501	10.2
69.03427	23.0
69.07069	10.7
69.26019	5.1
70.06591	1.6
71.04983	2.9
73.02918	3.8
78.99530	1.1
79.05504	5.4
81.03412	2.8
81.07058	30.0
82.07378	1.6
82.99644	1.0
83.04980	4.5
83.08607	9.5
85.02908	19.7
85.06536	2.9
87.04470	13.0
89.03907	1.0
91.05482	8.5
93.07042	11.2
95.04970	2.2
95.08606	44.8
95.09221	2.4
97.02895	21.9
97.06523	4.4
97.10181	6.0
99.04442	1.4
99.08051	2.1
100.11259	1.6
101.06021	1.1
103.05442	4.0
105.07024	13.0
107.04945	1.1
107.08609	8.9
109.02865	1.9
109.06506	1.7
109.10173	10.4
111.04400	1.7
111.08102	2.1
115.03937	17.8
115.07491	1.2
119.08582	24.6
120.08106	1.3
121.06503	4.4
121.10149	8.9
123.08080	4.1
123.11707	12.2
127.03912	4.6
131.04910	13.6
133.04971	14.7
133.10129	13.9
135.04382	1.5
135.11694	12.5
137.06009	1.9
137.09566	2.3
137.13257	16.7
139.11195	1.1
145.04973	6.3
147.04352	1.3
149.13229	1.2
150.07617	3.3
151.11203	1.9
151.14859	1.4
152.71234	1.2
158.95871	1.0
161.05882	1.3
161.13254	67.6
163.03879	11.1
163.06259	1.4
163.07495	6.8
164.04240	3.5
165.09077	4.0
167.07053	1.8
169.12167	1.0
179.14308	100.0
179.17740	6.1
180.14635	1.1
182.08389	2.1
182.15356	1.5
197.07886	1.3
197.15361	91.1
197.18987	11.6
215.12819	4.9
215.16428	73.3
235.08688	1.9
243.09251	1.1
263.08112	3.3
291.26874	1.2
292.27158	1.7
295.10190	1.5
309.27655	1.6
310.28217	1.8
347.18240	1.4
365.14984	3.3
471.53619	1.7
526.23242	7.5
527.19641	3.0
527.25458	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	526.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
53.21704	0.9
55.01864	3.8
55.05506	11.0
56.03582	0.9
57.03437	25.7
57.07067	7.0
59.04998	4.1
60.04527	1.4
61.02919	6.1
62.23490	1.0
67.05505	12.1
69.03428	81.3
69.07075	6.3
70.80032	1.3
71.01343	2.6
71.04985	1.7
71.85930	1.0
73.02916	19.2
75.04472	2.0
79.05487	1.4
81.03416	5.7
81.07056	29.2
83.05006	0.9
83.08616	8.3
85.02901	100.0
87.04467	49.1
87.05006	2.0
91.03966	2.2
91.05421	1.4
93.07092	1.1
95.04986	1.6
95.08054	0.8
95.08601	37.5
97.02889	83.4
97.10175	11.6
99.04428	5.2
99.08066	1.7
101.02381	1.3
101.09647	0.9
103.03954	2.1
103.05490	1.1
107.08585	1.7
109.02873	7.5
109.10152	44.3
111.04478	2.0
111.11762	1.3
115.03926	86.3
115.11213	2.1
119.82760	0.9
121.10170	2.3
123.04459	1.7
123.11700	57.2
127.03906	20.7
127.04842	1.0
131.04938	1.7
133.04964	84.9
134.58324	0.9
135.04471	0.9
137.05983	3.1
137.13246	18.1
139.03859	1.6
139.14812	2.7
145.04950	40.2
147.04507	1.4
150.07619	11.4
151.03937	1.2
157.04977	1.3
161.04514	1.1
163.03932	1.9
163.06026	19.4
163.07426	1.4
169.04977	2.8
175.14703	1.2
177.16422	4.5
178.23370	1.0
179.17940	42.1
181.04929	1.3
187.05933	1.2
193.04945	1.2
195.17441	5.1
197.19000	50.2
205.07094	1.6
211.05986	1.1
218.44022	0.9
223.06082	2.8
241.07036	4.7
259.08136	7.3
263.08139	0.9
275.20169	1.2
277.09192	4.7
293.21182	1.0
295.10178	9.1
311.22147	1.4
329.23132	9.7
335.09375	1.3
336.09406	1.0
359.24329	6.0
377.25323	1.0
394.19217	2.2
449.29852	0.9
506.52362	1.1
526.23401	58.5
527.23883	2.6
552.59625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
55.57761	0.5
57.03437	1.3
61.02916	1.9
67.05507	0.6
69.03438	6.5
69.82793	1.9
71.04980	0.8
79.05476	0.7
81.03420	2.7
81.07066	1.1
85.02908	6.8
85.06542	0.8
87.04508	1.6
93.07038	0.8
95.04978	1.2
95.08593	0.7
97.02869	3.6
98.23456	0.8
99.04462	0.6
107.08613	0.7
109.02888	1.2
120.08207	0.7
121.10165	1.0
121.78560	0.6
123.04438	1.4
127.03928	2.0
151.03915	1.1
163.03903	2.0
165.05502	1.5
181.07635	1.3
182.08403	50.6
183.09196	8.9
183.60718	0.6
193.07629	1.1
203.95105	0.6
206.08397	3.4
207.09169	18.9
207.11049	1.2
208.10019	3.3
217.07507	0.8
219.09201	2.3
221.07089	1.2
234.07843	1.1
235.08670	29.8
235.12363	1.4
236.09462	2.3
245.10812	1.1
247.08652	6.1
249.06746	0.7
249.13802	0.7
259.12393	1.1
261.06561	8.4
263.08157	61.8
263.11584	2.3
264.08670	3.2
267.11319	3.6
277.09747	6.9
277.13379	3.5
287.11795	4.1
289.13333	0.8
295.10806	20.7
296.11554	2.4
305.12842	11.4
309.15942	0.8
315.11282	4.4
333.12350	14.9
337.15613	3.2
347.14014	3.4
365.14969	58.7
366.15280	1.4
527.20203	100.0
528.20587	3.7
532.27216	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2024
Annotation	Lyaloside
Peak:m/z	Relative Intensity
53.03933	1.1
55.01857	2.7
55.05501	1.7
57.03436	7.0
57.07066	2.2
59.04984	0.8
61.02923	6.1
67.05488	3.4
69.03066	1.4
69.03426	19.2
69.07048	1.6
70.03759	1.6
70.43304	1.5
71.01337	0.8
71.04981	1.1
73.02910	14.3
81.03423	4.6
81.07053	6.2
83.08604	2.1
85.02901	35.7
86.03222	3.5
87.04465	5.8
88.04787	0.9
91.03934	1.2
95.04965	1.1
95.08607	7.8
96.08961	1.5
97.02888	21.2
97.10162	3.0
98.03223	2.8
99.04420	1.8
107.08598	1.3
109.02888	4.8
109.06514	1.0
109.10152	9.6
110.10468	3.3
115.03923	11.7
116.04243	2.3
123.04424	1.0
123.11714	10.8
124.12053	2.7
127.03925	8.7
128.04256	1.1
133.04955	13.9
134.05321	2.4
137.05962	1.4
137.13220	4.3
145.04936	10.5
146.05283	2.4
151.03897	1.1
161.05995	0.8
163.03926	1.5
163.06026	6.9
164.06384	1.2
165.05470	3.3
167.40170	0.8
177.16441	1.1
179.17940	10.7
179.67514	0.9
180.18286	4.6
181.07672	1.9
182.08392	51.9
183.09160	7.4
193.07686	0.8
195.09241	1.1
197.19002	11.6
198.19316	5.7
205.07431	0.7
206.08348	3.9
207.09145	15.4
208.09923	3.4
208.57678	0.7
219.09160	1.9
221.07156	0.9
223.06023	1.0
235.08656	33.0
235.12341	1.8
236.09393	2.7
241.06984	1.7
245.10753	1.3
247.08647	8.6
259.08194	2.4
259.12448	1.1
260.08661	1.2
261.06546	10.7
261.10333	1.0
263.08145	82.1
264.08817	5.0
267.11301	3.4
277.09677	8.6
277.13364	5.1
287.11780	3.4
289.13205	1.2
295.10751	19.7
296.11456	1.7
305.12830	16.3
309.15829	0.9
315.11212	5.1
333.12302	16.9
337.15305	4.4
347.13950	3.8
359.24319	1.4
360.24725	1.7
365.14932	72.0
366.15082	2.0
374.55865	0.9
377.25208	1.1
527.20221	100.0
528.20520	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	527.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42999	0.2
66.93047	0.2
67.05492	0.3
69.03419	0.3
69.07065	0.3
69.17805	1.0
73.99860	0.2
79.05480	0.2
81.07049	0.6
85.02920	0.3
90.50759	0.2
91.05461	0.4
93.07017	0.3
95.04962	0.3
95.08620	0.2
97.06508	0.4
98.22687	0.4
103.45353	0.2
105.07016	0.4
107.08569	0.3
109.10151	2.2
119.08571	0.2
121.10213	0.2
123.08075	0.5
127.11208	0.4
131.62022	0.2
133.10126	0.3
137.09564	0.3
151.03889	0.3
223.74194	0.2
230.57808	0.2
259.09729	0.3
263.12726	0.3
275.07449	0.4
298.96255	0.2
308.21243	0.2
317.08463	0.5
317.48947	0.2
335.09479	0.8
349.20102	0.3
365.19742	0.5
395.20364	2.0
527.24628	100.0
527.31177	4.9
528.24994	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	527.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.2
55.05509	1.2
56.66558	0.2
57.07082	0.4
67.05505	1.2
68.05839	0.3
69.03402	0.3
69.07067	1.8
69.83707	0.2
70.07420	0.4
71.04985	0.4
71.08632	0.3
75.85629	0.2
79.05498	0.8
81.07057	4.4
82.07384	1.1
83.04980	0.3
83.08611	1.4
84.08991	0.3
85.02896	0.4
85.06549	0.5
91.05498	0.5
93.07030	1.6
94.07380	0.5
95.08601	3.0
96.08954	0.8
97.06527	0.5
97.10226	0.2
99.08108	0.2
100.07593	0.2
100.11240	2.0
105.07031	0.6
106.07334	0.3
107.04949	0.4
107.08575	1.4
108.08887	0.3
109.06516	0.6
109.10146	1.1
110.10493	0.7
111.04461	0.5
111.08097	0.8
111.11748	0.3
112.12072	0.2
119.08595	0.4
121.10157	0.8
123.11703	1.4
124.12035	0.6
127.03858	0.4
130.13953	0.2
133.10173	0.3
135.04391	0.2
135.11722	0.7
136.12057	0.3
137.13266	0.8
138.13573	0.5
145.02736	0.2
145.04999	0.2
147.11696	0.3
149.13281	0.5
150.13620	0.4
153.12759	0.3
154.13100	0.4
155.14319	0.4
161.13335	0.2
163.03931	0.3
163.14885	0.2
165.12785	0.4
165.16476	0.2
167.07024	0.3
175.14828	0.3
177.05521	0.3
182.08392	0.5
182.15344	1.0
184.96371	0.2
203.05231	0.3
209.16562	0.3
210.14886	1.3
217.19450	0.2
233.15279	0.4
250.75478	0.2
263.08136	0.4
273.25729	0.3
274.26065	0.5
275.07285	1.0
291.26877	0.6
292.27206	1.2
293.27548	0.5
296.44269	0.2
309.27936	0.6
310.28299	0.7
311.28580	0.6
317.08502	0.4
326.28250	0.2
327.28860	0.3
328.29285	0.6
333.08267	0.2
335.09531	2.3
365.15005	0.6
395.20374	7.0
517.86719	0.5
518.36969	0.3
527.24640	100.0
528.25079	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	527.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05522	0.6
69.07079	0.4
71.05003	0.6
79.05479	0.7
81.03426	0.4
81.07056	2.0
81.95899	0.5
82.07401	0.8
91.05426	1.2
93.07037	1.0
95.04996	0.4
95.08601	2.3
95.33651	0.4
95.95542	0.5
97.02875	0.5
105.07038	1.5
105.92844	0.5
107.08628	1.8
109.10168	0.7
118.06121	0.4
119.08565	4.3
121.17429	0.4
123.11709	0.8
133.10136	5.5
135.11719	2.0
161.13194	0.5
163.03903	2.6
166.21880	0.5
175.14873	2.6
179.14389	0.7
180.14647	0.6
182.08395	1.7
189.30865	0.5
194.16864	0.5
215.16573	1.1
216.16832	1.3
235.08701	1.1
263.08237	1.9
275.07425	1.6
277.13605	0.6
299.05243	0.6
335.09473	53.1
336.09897	1.1
365.15137	1.8
524.34949	0.6
527.24701	100.0
528.25024	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	527.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	1.3
67.05501	1.6
71.08632	1.1
79.05509	1.3
81.07057	1.5
89.06008	3.8
90.06326	1.2
91.05473	1.3
101.92207	0.9
133.08595	1.6
149.19800	1.0
219.40268	1.1
309.56128	1.1
314.64307	1.2
315.19501	1.7
527.33386	100.0
528.33636	3.1
545.23181	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3346
Annotation	Oncostemonol F
Peak:m/z	Relative Intensity
53.18410	0.2
57.07080	0.3
58.61943	0.2
67.05499	0.3
69.19328	1.2
69.66195	0.2
71.08657	0.2
79.05483	0.2
81.07070	0.3
89.06033	5.6
90.06361	0.6
91.05451	0.2
93.07042	0.4
95.08556	0.2
98.06355	0.2
103.23905	0.2
106.26617	0.2
109.10274	0.2
130.08609	0.3
131.08670	0.2
133.08603	3.4
134.08940	0.6
136.63937	0.2
163.39557	0.2
177.11249	1.2
182.71014	0.2
221.13695	0.2
235.13008	1.4
251.12524	0.4
315.19330	2.3
327.20148	2.1
328.20309	1.1
341.24295	0.2
439.88843	0.2
451.83670	0.2
484.50101	0.2
527.33398	100.0
528.33734	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	528.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01871	4.0
67.05503	4.9
67.41902	2.0
68.05029	2.7
69.03426	6.2
69.07053	5.2
69.39883	7.9
70.06605	3.2
74.06081	4.7
76.18311	2.3
79.05478	5.6
80.05006	2.1
81.03403	4.3
81.07046	12.1
83.04953	2.6
84.15424	2.1
85.02904	4.5
85.06544	2.1
86.09714	2.3
89.40175	2.6
91.05472	6.0
91.23415	2.3
93.07027	6.0
95.04984	3.1
95.08610	5.9
96.08134	3.0
97.02882	5.0
97.06504	3.6
99.08088	3.4
102.84728	2.1
103.05504	3.3
105.07023	5.6
107.04957	2.5
107.08585	5.8
109.06499	3.6
109.10149	5.9
110.06071	3.4
111.11642	2.1
117.07021	2.5
119.08565	5.3
120.08134	4.9
121.06479	6.3
121.10098	3.2
123.11679	3.7
124.07583	45.7
126.09147	38.8
126.53825	2.2
127.03931	4.7
131.05043	2.2
133.10097	5.9
135.04471	2.5
135.08038	3.0
137.05962	6.1
138.09128	4.6
147.04398	4.8
157.07706	2.2
161.05882	3.2
163.03889	19.2
164.04224	9.7
164.10715	17.2
165.05489	3.4
171.09189	7.0
173.07076	3.7
173.10670	2.4
174.09119	4.7
182.08336	4.5
183.09047	4.0
184.07431	3.6
185.07109	6.2
187.08623	2.2
189.06657	3.0
189.10316	3.5
192.10162	31.6
195.06535	4.3
196.09732	2.6
199.04939	2.4
199.08699	13.6
200.09464	4.7
201.06667	13.2
201.10208	5.2
203.08160	2.8
203.11775	3.7
207.09100	2.1
211.08665	3.2
213.06433	3.9
215.08162	2.6
217.09683	7.3
227.08101	13.0
228.08861	3.8
229.06145	5.4
229.09741	6.4
230.06766	3.0
231.07744	4.3
231.11308	6.2
235.08690	4.4
236.09088	3.1
239.08128	3.7
241.06155	5.1
241.09708	11.7
243.07674	5.6
245.09210	11.8
255.07510	15.5
256.08423	11.2
257.05661	8.3
257.09198	89.2
258.09711	3.5
259.07239	2.7
259.10791	5.2
261.08902	3.0
261.33832	2.6
262.06622	2.9
263.08109	4.1
263.15555	2.1
264.08496	7.5
265.05853	2.9
267.07697	2.7
269.09207	8.0
271.07346	4.3
273.08673	28.2
274.09509	5.6
283.07150	27.6
283.10284	4.4
284.07944	5.5
285.08667	44.5
286.09396	9.4
287.10214	44.0
296.11099	4.2
297.08737	9.8
299.10269	15.5
301.08185	24.3
302.09131	2.6
303.09637	8.5
305.07709	3.0
315.09796	20.4
323.14429	2.2
325.08197	7.0
327.09772	7.6
329.07611	24.1
329.11316	17.3
330.08215	2.7
335.09531	18.5
335.13412	3.5
336.09833	10.5
343.09198	16.9
344.09991	3.0
351.13272	22.4
357.10632	2.8
366.15256	7.7
380.16040	2.5
394.17746	3.3
422.17310	15.9
423.12021	12.4
424.18787	7.1
426.20554	2.3
434.17068	4.4
440.17969	4.3
450.16626	24.7
452.18091	73.9
453.18646	3.3
454.13464	3.1
454.19720	52.1
468.17648	19.2
468.23795	3.1
478.16150	14.4
482.19171	35.2
496.17096	100.0
510.18668	28.1
514.18097	11.0
527.24677	3.7
528.26038	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	528.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.5
57.03426	1.7
57.07065	2.8
59.04999	1.7
61.02929	2.1
67.05510	11.6
69.03413	3.8
69.07062	3.7
70.06579	3.0
71.04995	5.4
71.48329	1.3
79.05473	2.4
81.03424	1.0
81.07054	58.7
83.08609	1.3
85.02905	13.3
85.06541	8.5
91.05426	1.2
93.07022	4.9
95.04974	6.7
95.08604	9.9
97.02876	3.1
97.10156	7.3
99.04418	1.8
99.08068	1.5
105.07034	2.4
107.08577	3.0
109.02850	1.0
109.06506	1.6
109.10140	11.3
111.08083	2.1
113.05969	1.0
114.33675	0.9
121.10073	1.3
123.08126	1.0
123.11703	53.8
125.09622	1.6
127.03931	2.5
127.11197	16.2
133.10109	3.9
141.12744	1.7
145.04936	4.9
151.11176	11.6
163.03926	1.6
163.05997	2.5
169.12236	100.0
187.13289	63.0
222.11444	0.9
292.19098	1.6
331.17508	6.0
528.28467	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	528.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.1
57.03435	6.2
57.07076	13.3
57.83158	0.6
59.04999	3.7
67.05554	0.6
69.03429	18.5
69.07067	54.0
69.20602	2.0
69.21012	1.2
71.04989	4.5
71.08255	1.0
71.08635	10.9
73.02898	0.6
73.06556	11.9
75.04453	0.6
79.91591	0.5
81.07045	1.0
82.93202	0.6
83.08620	1.8
85.02406	1.0
85.02903	13.8
85.10184	3.9
87.04467	12.2
89.06032	32.9
97.02891	15.4
99.04453	0.8
99.11738	1.1
108.14925	0.5
111.11719	88.8
112.12071	1.0
115.03932	15.5
127.03905	1.4
129.12755	100.0
130.13075	1.0
133.04970	15.5
145.04965	1.9
150.07585	0.9
153.01826	1.7
170.15349	0.8
197.34161	0.6
199.16930	25.3
212.37016	0.6
217.17986	37.7
253.36078	0.6
259.08167	0.6
261.72873	0.6
297.06805	0.6
349.60202	0.5
351.24759	0.6
372.54578	0.6
501.31317	0.7
528.32184	1.2
529.33234	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.5
55.01865	9.8
55.05511	28.6
57.03429	22.3
59.05015	3.6
64.93018	2.6
67.05502	31.7
69.03441	4.7
69.07060	6.7
70.58973	3.2
71.04997	7.2
75.62755	2.7
79.05492	36.1
81.03421	68.8
81.07061	36.3
83.01339	5.5
83.04971	27.9
83.08628	29.6
85.02916	17.5
86.94580	2.5
91.05489	33.5
93.07043	37.0
95.04977	25.7
95.08621	13.0
97.06488	5.3
97.10188	6.0
105.07028	27.5
107.04981	13.6
107.08586	16.7
109.06544	6.7
109.10122	4.8
111.08092	11.5
117.07045	9.6
119.08569	18.9
121.06515	3.9
121.10118	12.8
123.08090	10.5
129.07008	11.6
131.08569	13.0
132.88997	2.6
133.06479	2.8
133.08601	3.4
133.10124	14.5
135.08087	4.1
135.11723	11.4
137.09538	5.3
142.07727	3.7
145.10092	14.0
147.08043	3.1
147.11655	13.9
149.09621	5.4
153.01828	7.3
154.02216	4.6
157.10135	9.4
163.11165	23.1
165.12732	3.0
175.11211	8.6
191.10622	3.6
193.12257	43.1
202.74179	2.7
209.11707	7.7
211.13292	76.0
227.12955	3.5
245.02179	2.6
267.15872	16.0
280.66949	2.7
283.15372	100.0
285.16962	49.8
383.22549	3.7
457.26215	4.0
475.26712	16.6
493.27960	80.1
523.93781	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	528.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	8.5
57.03438	1.2
57.07076	2.8
58.06600	28.8
59.04999	0.4
59.07382	7.8
59.79480	0.2
60.08164	7.0
67.05507	1.0
69.03421	2.9
69.07066	11.8
69.70027	0.4
69.70375	0.7
71.08645	1.7
73.02905	0.4
75.04478	0.8
79.05488	0.5
80.90393	0.2
81.07050	1.2
82.38399	0.2
83.08615	7.1
83.34969	0.3
84.08143	0.7
85.02911	0.7
85.10175	0.6
87.04432	1.2
93.07056	0.5
95.08606	1.1
97.06526	0.5
97.10173	4.2
101.23424	0.2
102.05527	1.1
104.10756	0.5
107.08636	0.4
109.10165	0.4
111.08056	0.4
111.11693	1.2
116.10758	0.5
117.07867	0.5
121.10135	0.5
123.11703	0.5
124.93777	1.0
126.49549	0.2
130.08643	0.6
131.07095	0.6
135.11685	0.6
144.10193	4.7
160.09718	0.5
162.11264	1.9
198.97438	5.8
199.97807	1.0
200.12740	0.3
215.18513	0.2
216.98380	0.3
218.13928	1.4
221.87904	0.3
223.20555	14.9
224.20898	0.4
234.13368	2.3
236.14912	16.2
288.18094	1.0
311.25937	1.1
358.44922	0.2
436.19119	0.3
458.34705	0.3
469.29007	0.5
510.38077	2.8
526.48840	0.3
528.23706	4.5
528.38977	100.0
529.39294	3.9
534.20892	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2627
Annotation	Parvifoliside
Peak:m/z	Relative Intensity
55.01880	0.4
55.05508	1.9
55.49083	0.3
55.50887	0.3
55.54646	0.3
57.07075	0.4
65.03952	0.4
67.05510	1.6
69.03440	1.0
69.07070	18.3
69.55183	1.4
71.04966	0.4
79.05495	1.2
81.03417	0.5
81.07059	1.4
83.04997	0.4
83.08642	0.6
85.02921	0.7
85.06541	0.5
91.05479	2.1
93.07055	1.1
95.04976	2.7
95.08608	0.9
97.02884	0.8
97.06548	0.6
98.23418	0.4
103.05489	0.5
105.07039	1.4
107.04982	1.1
107.08606	1.1
111.11727	9.1
119.08569	1.7
121.06516	0.7
121.10151	0.6
123.04462	1.1
123.08021	0.4
123.11742	0.7
127.03919	0.7
129.07016	0.9
131.04984	0.4
133.10146	1.5
135.04427	0.6
137.06000	1.1
137.09615	0.6
139.03966	0.4
139.11191	2.6
147.04489	0.4
147.08063	1.6
149.06020	0.8
151.03917	1.5
153.01834	0.6
155.14427	0.4
161.06000	0.6
163.03926	1.2
163.07591	0.4
165.01822	0.5
165.09169	0.6
167.07076	0.5
175.07503	2.0
177.01866	0.4
177.05423	0.5
191.03387	0.5
191.07072	0.4
192.30511	0.4
193.08604	2.0
197.08092	0.4
201.05408	0.4
217.15894	0.7
219.02913	1.2
222.14894	0.4
261.03986	0.6
264.08374	0.4
269.17493	0.8
275.07462	1.1
313.18152	0.6
331.19104	2.2
333.07999	0.7
335.09488	2.1
349.20117	10.1
367.21225	2.1
367.25308	0.4
379.20975	1.0
397.22052	2.7
511.25159	9.1
512.19910	0.5
512.26593	0.4
529.15247	6.0
529.26227	100.0
530.26672	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	529.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	0.3
55.05504	0.8
67.05502	0.3
69.03438	0.5
70.52444	0.7
70.80775	0.3
77.73087	0.3
79.05489	0.3
81.07050	0.7
83.08586	0.4
91.05511	0.4
93.07055	0.4
95.67164	0.3
100.11258	0.8
105.07027	0.4
109.10170	0.4
111.11716	0.3
119.08598	0.5
124.47111	0.3
133.06412	0.4
133.10121	0.4
153.01830	1.8
157.10094	0.3
163.03979	0.5
166.03821	0.3
171.02968	0.3
203.05243	0.6
209.16518	0.3
210.14890	0.4
241.04897	0.3
269.17310	0.3
269.71887	0.3
349.26984	0.5
367.28116	1.0
385.12863	0.5
423.92178	0.4
499.32123	0.3
511.31967	0.4
529.33289	100.0
530.33429	3.6
532.87897	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30843	0.2
55.01872	0.3
55.05515	0.3
58.86222	0.2
67.01874	0.3
67.05500	0.3
68.99803	0.3
69.03425	0.3
69.07049	0.3
69.71398	0.5
69.71743	0.2
79.05489	0.2
81.07043	0.6
83.04993	0.2
83.08615	0.3
85.02879	0.2
85.06561	0.2
91.05481	0.3
93.07035	0.5
95.04963	0.4
95.08599	0.5
97.02907	0.3
97.06510	0.2
97.28207	0.1
105.07025	0.2
109.02915	0.2
109.10129	0.4
111.00793	0.3
119.08602	0.2
121.10184	0.3
123.04416	0.3
123.08073	0.3
123.11665	0.2
131.08571	0.3
133.10146	0.3
137.06009	0.3
147.04404	0.3
147.11797	0.3
153.01828	3.6
157.10146	0.2
161.09715	0.2
171.02896	0.9
179.03394	0.9
185.05975	0.4
189.09163	0.4
195.08017	0.3
197.06094	0.2
200.04428	0.2
203.05251	5.4
213.09024	0.3
215.10594	0.3
217.05020	0.2
217.15959	0.3
219.02940	0.3
220.65553	0.2
239.10602	0.3
241.08588	1.1
265.08640	0.7
337.14267	0.2
349.10724	0.7
349.27115	18.3
350.27484	0.4
359.73337	0.2
367.11731	3.6
367.28259	1.1
450.22745	0.2
457.33511	0.2
482.60495	0.2
529.33423	100.0
530.33826	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	530.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.3
69.03433	0.5
71.45550	0.3
72.17133	0.2
78.04719	1.1
79.05493	0.7
81.03401	0.3
81.07060	0.5
83.04956	0.3
85.02903	1.1
86.09721	0.4
91.05481	0.8
93.07054	0.3
94.04183	1.8
95.04990	0.6
95.08626	0.3
97.02944	0.6
99.04451	0.3
103.05470	0.6
105.07004	0.4
106.04194	0.9
106.30661	0.2
107.04973	0.6
107.08569	0.3
108.90637	0.2
110.42961	0.2
115.05449	0.3
119.04917	0.3
121.06521	0.6
122.03646	4.7
123.04438	3.2
124.05211	1.3
127.03906	0.6
131.04907	0.7
134.03625	0.6
135.04376	0.3
137.05974	100.0
138.06319	1.1
145.04970	0.4
147.04408	0.7
149.05966	0.8
151.03911	0.4
151.07513	1.2
152.04677	1.0
153.05402	0.8
155.08408	0.3
161.05988	1.2
163.03938	0.3
163.07510	0.8
165.05721	0.3
165.07013	1.0
167.07034	99.7
168.05702	0.4
168.07407	0.8
179.07047	1.6
180.08675	0.6
181.06619	0.4
183.08061	1.3
195.08078	0.6
196.04984	0.3
197.08078	0.8
205.04691	0.3
207.04491	0.4
211.07515	2.1
212.08238	0.4
228.07774	0.4
239.07016	0.7
243.08075	0.2
243.10178	1.5
243.12294	0.3
255.10126	0.6
256.07474	0.2
271.07019	0.3
271.09659	2.6
283.09726	1.8
288.09546	0.3
303.12256	8.4
315.12268	8.4
333.09598	0.4
333.13297	5.1
453.57523	0.3
530.19489	5.3
530.32416	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.01875	3.1
55.05511	15.1
57.03437	16.8
65.03944	1.9
67.05503	28.4
69.03435	5.5
69.07059	7.3
71.04997	5.6
71.43466	0.9
73.37859	1.0
79.05492	25.8
81.03417	72.7
81.07059	29.7
83.04980	19.6
83.08617	24.6
85.02905	27.7
85.06531	1.2
87.04420	1.2
91.05482	39.8
93.07042	20.3
95.04967	29.8
95.08617	12.0
97.02903	4.6
97.06530	3.7
97.10166	3.6
99.08109	1.3
105.04556	1.4
105.07032	26.1
107.04975	7.1
107.08586	9.0
109.06522	7.2
109.10174	2.6
111.04432	3.0
111.08078	10.7
113.06006	2.4
115.05463	1.7
115.38938	1.0
117.07035	2.4
119.08588	23.4
121.06506	2.3
121.10145	9.3
123.08077	3.8
125.09664	1.7
129.07008	12.1
131.08563	13.2
133.06505	3.5
133.10124	11.4
136.00977	1.0
137.09641	1.8
142.07756	2.5
145.10152	1.7
147.08061	3.0
147.11684	15.8
149.09612	7.2
151.64207	1.0
157.10120	17.9
163.11264	1.1
165.12766	3.1
175.11166	18.2
175.12646	1.4
184.07358	1.3
193.12250	60.3
211.13286	100.0
212.13689	2.2
213.17688	0.9
267.15894	25.9
285.16959	89.1
362.78125	1.0
367.22678	1.7
385.23691	2.1
443.76810	1.0
459.27417	9.7
477.28415	11.7
495.29501	34.0
530.29730	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	531.1502
Annotation	CHEBI:88343
Peak:m/z	Relative Intensity
53.03952	0.4
55.01888	0.4
55.05510	0.7
55.70399	0.4
58.44533	0.3
59.05009	0.6
63.02399	1.0
67.05510	1.5
69.03419	2.1
69.07072	0.6
70.06602	0.4
71.05020	1.3
71.45481	0.5
75.98983	0.4
78.04711	0.8
79.05494	2.1
81.03413	0.4
81.07061	3.3
83.04996	1.1
83.08630	0.5
85.02915	1.7
87.04486	1.2
89.03922	13.9
89.04465	0.8
91.05479	2.2
93.07066	1.9
95.04967	2.0
95.08624	1.5
95.22308	0.4
97.02908	1.5
97.06532	0.7
103.05497	0.7
105.04548	0.5
105.07049	3.7
106.04193	0.7
107.04948	0.9
107.08578	2.3
109.02897	0.6
109.06529	0.7
109.10139	2.1
111.04442	0.6
111.08121	0.5
115.03933	1.5
117.03386	29.6
118.03685	0.6
119.04986	0.5
119.08583	1.7
121.06501	1.3
121.10146	1.4
123.08071	0.9
123.11764	0.7
125.09649	2.1
127.03870	0.4
127.11208	0.4
131.08571	0.7
133.04926	1.2
133.10144	5.5
134.03648	2.4
135.04420	7.5
135.05357	0.7
135.25632	0.5
137.05937	0.6
137.09579	0.4
139.03909	0.5
141.05460	0.6
143.08499	0.5
143.10680	2.6
145.02855	62.5
145.10068	1.8
146.03183	0.7
147.04407	0.4
147.11665	1.9
149.05983	9.2
151.03922	0.6
151.11093	0.4
153.09076	0.6
155.23654	0.4
159.08026	0.4
159.11705	1.0
161.13278	0.6
163.03912	29.1
164.04291	0.6
167.07030	0.7
177.05479	100.0
178.05827	1.1
186.05519	1.4
201.16318	0.5
207.13791	0.7
219.17455	4.3
318.52695	0.4
319.08060	1.0
333.09604	1.1
351.10568	0.5
351.21356	0.4
513.13904	2.0
530.25647	0.5
531.17621	1.3
531.24615	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91426	0.2
67.05519	0.3
69.03447	0.4
69.59240	0.7
71.77357	0.3
85.02887	0.5
86.09701	0.3
91.05484	0.3
93.07030	0.3
95.04958	0.4
96.91355	0.2
97.02906	0.3
98.23462	0.5
102.97108	0.2
105.07040	0.3
107.08502	0.3
109.10140	0.3
127.03957	0.3
133.02914	0.2
135.04396	0.3
144.01300	0.3
159.11673	0.3
161.03008	0.4
161.05945	0.4
163.03922	1.2
167.93892	0.3
205.54807	0.2
232.13324	0.6
273.29169	0.3
275.07330	0.7
335.09482	2.4
337.10046	0.5
399.23044	0.7
486.82471	0.3
531.27759	100.0
532.28217	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	531.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49184	2.7
55.05519	2.8
57.07063	4.9
67.82602	2.9
69.86282	5.6
69.86635	6.9
70.06590	5.1
71.08641	4.0
79.05471	4.2
81.07044	4.4
83.08588	3.3
85.10205	2.6
88.07621	6.4
93.07056	3.5
95.08610	5.1
102.09169	4.1
105.07022	3.6
109.10137	4.0
124.93725	4.4
141.95241	3.0
161.10098	2.7
195.00395	6.0
198.97414	21.8
199.97726	8.1
200.97932	4.6
256.26398	25.9
257.26678	28.8
258.26971	4.2
301.39655	3.3
313.27127	3.2
314.27637	9.8
531.29510	100.0
532.29327	5.0
554.68573	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	531.2933
Annotation	Asn Ile Glu Arg
Peak:m/z	Relative Intensity
57.07058	2.4
66.02474	1.1
67.05512	2.1
69.55144	2.9
69.55518	2.5
71.08620	1.3
80.65939	1.1
81.07048	1.7
95.08643	1.9
98.22684	1.1
195.00354	2.1
198.97430	3.2
219.12350	1.3
314.27557	1.7
531.29346	100.0
532.29437	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.1
52.99158	1.5
53.03936	6.9
53.42835	1.5
55.01860	8.6
55.05510	19.3
55.96346	1.5
57.03446	1.7
57.07066	2.7
58.15749	1.7
59.48820	1.4
65.03934	4.6
67.05503	51.4
69.07065	15.8
71.04989	4.1
73.06552	2.7
77.03928	4.1
79.05489	97.0
81.03418	6.2
81.07051	57.9
83.04974	10.1
83.08626	12.4
85.06531	4.6
88.07630	2.9
91.05476	83.6
92.05802	2.2
93.07042	100.0
95.04963	31.4
95.08598	20.4
97.06509	9.1
97.10149	9.1
102.09264	1.8
103.05457	3.7
105.00089	2.9
105.04531	11.2
105.07026	65.3
107.04949	15.8
107.08587	31.8
109.02891	5.8
109.06510	11.5
109.10165	5.6
111.08094	4.5
115.05454	3.3
117.07014	18.8
118.52991	1.9
119.08575	33.4
121.06483	6.6
121.10141	6.5
123.04452	3.7
123.08083	11.5
125.09635	5.9
127.07550	2.8
128.06224	6.4
129.06996	34.1
131.08563	9.5
133.06487	3.6
133.10129	14.7
135.08072	14.3
135.11702	5.6
135.14496	1.9
137.09662	2.9
142.07767	1.9
143.08548	15.4
145.06438	4.2
145.10139	13.3
147.07993	8.1
147.11679	56.2
149.09610	4.5
153.09103	2.7
153.12823	1.9
156.09302	2.3
157.10153	4.3
159.08067	6.0
159.11676	2.7
161.09627	14.9
161.13235	19.5
163.07516	10.9
163.11186	2.7
169.10223	2.5
171.11684	63.6
173.09711	2.6
177.04536	1.6
179.14363	5.1
185.09593	2.7
189.09105	2.4
189.11203	3.2
189.12733	34.7
191.10652	2.7
193.12228	23.2
195.00343	4.1
198.97469	8.6
199.97827	1.8
200.94064	1.8
200.97954	2.2
207.13791	55.8
221.11713	8.8
225.14853	6.1
227.12805	3.7
243.17421	4.9
256.26382	10.6
257.26669	10.3
261.18549	4.9
271.16879	10.2
289.17975	90.6
290.18506	1.9
307.19034	14.1
434.42334	1.7
477.29800	2.2
495.30624	2.9
531.25049	9.2
531.32379	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	531.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
64.58812	0.3
68.24552	0.3
69.25793	1.6
81.07067	0.4
91.05502	0.3
97.02884	0.3
98.22635	0.6
107.08585	0.4
133.05020	0.4
140.75081	0.3
153.01840	0.9
157.13853	0.3
201.16333	0.3
203.05261	3.6
219.17453	0.4
268.15613	0.3
271.06049	2.0
351.28653	3.4
369.29825	0.6
406.70230	0.3
457.89005	0.3
531.35040	100.0
532.35339	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	532.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
57.03441	0.8
66.49270	0.4
69.03436	2.6
71.04987	1.3
73.02903	0.6
79.85683	0.4
81.03428	3.4
85.02884	3.0
91.05476	1.8
95.04991	0.7
97.02900	9.1
99.04426	2.1
109.02869	3.7
119.04957	3.0
121.06499	0.6
122.03661	0.6
127.03902	5.8
128.04958	10.4
134.28168	0.4
135.08049	0.5
137.05965	8.0
145.10092	0.5
146.06004	100.0
147.04424	5.5
147.06366	1.4
148.06409	0.6
156.04529	0.9
161.05986	0.5
163.03905	0.8
163.07552	0.5
165.05577	0.5
174.05508	76.4
175.05882	0.9
179.07014	3.5
270.07632	0.6
282.07541	0.7
299.20117	0.8
300.08664	45.0
301.08661	0.9
315.54169	0.4
317.21155	1.5
318.09714	16.4
336.10751	3.7
340.12439	0.6
384.22345	0.4
484.16019	2.7
533.22003	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
57.03434	1.3
60.04531	0.3
65.03941	0.4
66.04700	0.4
69.03428	3.9
69.09980	0.9
73.02911	0.3
79.05489	15.0
81.03407	0.3
81.07051	100.0
82.07387	0.7
85.02898	2.1
87.04466	2.3
95.04958	0.7
97.02874	2.4
115.03925	2.2
133.04955	2.9
133.10132	0.2
145.10088	0.2
150.07574	1.0
203.10649	6.3
203.12442	0.4
229.84631	0.2
409.51419	0.2
502.28940	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	532.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.2
55.05505	0.3
56.05025	0.5
56.50464	0.1
57.03438	0.2
57.58922	0.1
58.06328	0.2
58.06626	0.5
59.07395	0.2
60.08165	6.2
67.05485	0.3
69.03423	0.2
70.06613	0.2
71.07373	3.0
71.30167	0.2
73.02921	0.4
77.90184	0.1
79.05503	0.3
81.03407	0.1
81.07065	0.9
83.86636	0.1
85.02906	0.3
86.09707	29.6
91.05475	0.5
93.07041	0.3
95.08627	0.6
97.02894	0.3
98.98471	2.6
104.10744	3.6
105.07037	1.0
107.08586	0.2
109.10165	0.4
115.03876	0.1
119.08594	0.6
121.10164	0.3
125.00004	20.9
126.53883	0.1
127.03908	0.2
133.10133	0.5
143.01051	0.2
147.11703	0.7
161.27362	0.1
179.88547	0.1
184.07341	100.0
185.07704	0.6
203.17935	0.3
304.57666	0.1
514.29419	0.9
532.30359	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	532.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53484	1.7
55.05502	4.7
57.03440	10.2
60.08155	7.0
61.02932	3.6
64.87842	1.8
67.05505	14.8
69.03432	16.4
69.07067	3.2
71.07377	3.3
73.02917	24.4
79.05476	12.2
81.07053	34.0
83.08620	1.9
83.63702	1.9
85.02897	20.7
86.09706	35.3
91.05488	9.8
93.07042	18.0
95.04965	3.5
95.08607	30.2
97.02888	19.4
98.98473	1.9
104.10737	13.0
105.07023	43.9
107.08593	26.2
109.10172	21.4
115.03919	17.3
117.07029	2.6
119.08573	26.6
121.10164	11.5
123.11711	6.6
124.99995	23.4
127.03912	7.3
133.04988	4.3
133.10124	15.0
135.11693	7.2
136.93114	2.4
139.06595	1.9
145.04942	5.9
145.10069	2.0
147.11696	30.3
147.79826	2.1
150.07582	3.2
154.94183	2.7
161.13246	8.2
163.06030	2.5
165.42293	1.8
172.95253	2.2
175.14940	3.4
184.07335	100.0
203.17961	14.9
213.16412	2.2
262.81497	1.8
317.55496	1.9
454.17068	2.0
458.19714	2.1
514.22614	3.3
523.80371	2.1
532.23053	2.5
532.30249	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	532.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.01862	1.1
55.05498	2.1
56.05025	0.6
57.03421	1.8
60.08161	6.5
61.02914	1.6
65.03925	0.7
67.05502	4.4
69.03437	3.7
69.07064	3.3
70.19310	0.4
70.57771	1.1
71.01344	0.5
71.07365	3.0
73.02546	0.8
73.02920	10.4
79.05496	7.1
81.03425	1.2
81.07054	23.3
83.08614	0.8
85.02900	7.2
86.09703	35.9
87.04478	0.7
91.05468	6.1
93.07038	6.7
95.04955	1.4
95.08608	10.5
97.02903	5.0
98.98479	3.6
104.10722	3.9
105.07028	16.2
107.08581	5.3
109.02850	0.6
109.06534	0.8
109.10150	8.5
111.11700	1.0
115.03939	3.7
117.06992	0.7
119.08578	10.2
121.10147	5.3
123.11706	3.3
124.99998	23.4
127.03924	2.2
131.08563	0.7
133.04955	3.1
133.10123	7.0
135.11703	1.7
145.04967	2.7
145.10078	1.0
147.11681	16.5
150.07646	0.8
161.13246	2.1
163.06020	1.0
175.14828	1.0
184.07335	100.0
203.17934	7.0
241.07137	0.9
259.08224	1.0
439.33948	0.5
514.28369	0.8
532.30316	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	532.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.3
54.54771	2.1
55.01880	3.4
55.05513	29.2
57.03434	8.2
57.07069	6.2
57.46745	2.1
65.03938	4.4
67.05505	100.0
69.03430	28.9
69.07070	25.2
69.88647	6.0
71.04984	6.6
79.05493	86.8
79.05866	1.5
81.03410	14.0
81.07057	89.7
83.04977	11.1
83.08626	12.7
85.02905	43.3
85.06546	4.4
86.09711	5.8
89.10281	2.2
91.05476	55.2
93.06446	4.4
93.07044	93.2
95.04974	15.2
95.08606	78.6
95.09220	4.3
97.02892	39.1
97.06522	5.9
97.10174	5.5
99.04453	9.4
103.05406	2.0
104.10753	4.7
105.04533	2.9
105.07028	50.2
105.08131	2.3
105.78893	2.1
107.04958	4.0
107.08598	48.6
109.02873	5.5
109.06531	6.6
109.10148	33.0
111.04428	6.1
111.08107	4.1
115.03970	3.4
115.05462	3.0
117.07005	23.9
119.08574	43.0
121.06523	3.5
121.10146	51.9
123.08054	4.4
123.11716	11.0
125.00008	6.0
125.09599	1.8
127.03926	23.1
129.05484	6.8
129.07016	10.0
131.08559	32.4
133.06451	3.4
133.10124	38.1
135.08005	4.4
135.11681	34.3
137.13263	6.3
139.11154	2.4
143.08586	13.2
145.04933	11.7
145.06531	4.3
145.10121	28.1
147.08064	3.7
147.11662	22.7
149.09616	3.4
149.13268	19.9
151.11098	3.1
155.08571	5.4
155.67711	2.6
157.06407	2.1
157.10127	8.5
159.11711	21.8
161.09581	4.3
161.13266	15.9
163.14848	6.1
165.12810	2.5
167.08507	2.6
169.10097	4.2
171.08162	2.1
171.11742	6.2
173.13268	21.8
175.14803	6.7
177.12872	2.5
179.08621	2.7
183.11734	3.1
184.07335	17.8
185.09636	3.0
185.13298	5.9
187.11162	3.6
187.14816	10.0
191.14407	3.2
195.11783	3.3
197.13200	5.0
199.14848	5.7
201.12831	2.6
201.16319	2.4
209.13341	2.4
209.21268	1.8
211.14667	2.4
231.21088	2.7
233.22832	3.1
241.19508	7.9
243.21127	10.4
259.20584	26.0
261.22141	52.4
277.21686	14.2
279.23190	5.5
289.21545	9.9
291.23257	4.5
297.22031	3.0
301.21497	2.6
303.23181	12.9
305.24686	3.3
315.23148	13.6
317.24692	5.7
323.23499	2.6
327.23154	9.3
333.24359	2.4
341.24716	7.6
345.24173	20.6
351.23157	10.4
357.24597	10.3
369.24228	29.6
387.25238	17.9
405.26199	19.9
423.27396	26.6
431.13397	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	532.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20466	1.2
53.03949	4.3
54.29799	1.2
54.65650	1.5
55.01876	3.5
55.05516	23.0
55.31361	1.4
57.03436	8.7
57.07079	4.2
59.05015	1.6
59.12516	1.2
61.02937	3.3
62.20807	1.2
65.03941	5.1
67.05506	90.5
69.03430	16.9
69.07065	21.4
69.67684	4.6
70.75925	1.3
71.01428	1.3
71.04987	6.1
73.02920	2.4
77.03925	1.3
79.05494	71.2
81.03424	11.3
81.07056	100.0
82.31129	1.4
83.04981	7.0
83.08613	11.5
85.02905	22.3
85.06557	3.0
86.09719	2.3
91.05479	46.8
93.07046	90.7
94.07352	1.3
95.04971	10.4
95.08607	79.3
97.02872	10.1
97.06525	6.5
97.10178	3.8
98.22687	1.5
99.04458	3.9
99.08116	2.5
103.03949	2.8
105.04529	4.9
105.07029	40.0
107.04980	3.2
107.08594	55.6
108.04491	2.8
109.02846	2.5
109.06538	6.0
109.10155	40.4
111.04443	5.3
111.08086	3.9
113.09650	2.7
117.07007	19.8
119.08571	31.7
121.06499	3.4
121.09265	2.8
121.10149	53.8
123.08062	4.9
123.11710	15.9
125.09625	3.1
127.03934	4.7
128.06261	2.0
129.05531	2.5
129.06981	7.3
131.08563	39.5
133.06483	2.8
133.10130	29.7
135.08070	4.5
135.11691	40.0
137.09605	3.8
137.13263	5.5
139.11224	3.4
141.07005	2.2
143.08565	6.0
145.04994	1.7
145.06505	1.6
145.10130	25.4
147.11688	19.1
149.09555	1.8
149.13254	25.2
151.11153	2.7
154.17751	1.3
155.08585	3.1
157.10136	4.8
159.08054	2.5
159.11684	25.1
161.09595	1.7
161.13254	14.7
163.11165	1.8
163.14801	15.0
165.12685	2.2
167.08525	2.5
169.10161	3.7
171.08069	1.8
171.11729	4.2
173.09697	1.5
173.13251	22.0
175.11130	1.6
175.14850	5.1
175.28308	1.3
177.12798	2.7
177.16426	5.3
179.14320	3.3
181.10158	1.4
183.11670	2.6
185.09680	2.1
185.13289	5.5
187.11235	2.8
187.14801	10.2
191.14302	2.5
197.13348	1.9
199.11273	1.6
199.14784	3.4
201.16429	3.4
205.16098	1.5
207.11650	1.4
209.13275	2.4
211.14828	2.6
213.16241	1.4
215.17886	2.2
221.13361	2.4
221.15413	1.6
225.16365	1.5
235.13274	1.5
241.19539	1.8
243.21085	29.5
243.23479	2.2
259.20612	3.9
261.14993	1.9
261.22125	81.4
268.32376	1.5
271.20505	1.4
273.22195	2.7
277.14307	3.3
277.21710	4.7
279.23218	2.4
285.22150	4.4
289.21719	4.9
291.23361	3.6
297.21960	1.8
299.20233	1.5
301.21622	3.0
303.20007	1.7
303.23224	8.0
313.21484	2.0
315.23248	4.8
317.24756	2.3
319.22720	3.0
323.23578	3.3
327.23169	2.7
335.25681	11.9
341.24673	4.0
345.24307	3.0
351.23224	5.7
353.26892	18.3
369.24142	20.2
378.20728	1.5
387.25320	15.2
398.81345	1.5
401.18497	1.6
405.26346	20.1
423.27432	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	533.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64425	0.2
55.79307	0.2
69.03428	0.7
69.07043	0.2
84.80073	0.2
85.02907	0.5
85.30048	0.2
91.05473	0.2
97.02924	0.3
118.97867	0.2
170.20084	0.2
184.07393	0.4
221.86000	0.2
236.86681	0.2
249.98410	0.2
275.07355	0.4
287.05496	3.9
288.05978	0.3
313.16422	0.6
317.08459	1.0
335.09479	2.3
401.21161	0.4
445.20438	24.8
446.21011	0.7
532.35583	0.9
533.25696	100.0
533.34363	3.6
534.26025	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	533.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37621	0.6
53.03939	3.5
53.63225	0.5
55.01865	3.6
55.05500	1.9
57.03433	7.6
59.04994	1.1
61.02647	0.7
61.02928	10.2
64.16007	0.6
67.05491	3.1
67.41167	0.5
69.03428	34.4
69.07066	8.5
70.23566	1.1
71.04990	4.7
73.02911	4.8
79.05484	3.9
81.02960	1.0
81.03416	13.2
81.07068	5.0
83.01334	0.7
83.04974	1.9
83.08622	1.7
84.91183	0.6
85.02901	100.0
87.04479	4.2
91.03954	5.2
91.05464	3.5
92.06351	0.6
93.07037	4.5
94.33203	0.5
95.04971	6.2
95.08594	3.8
97.02888	36.7
97.06518	3.1
99.04445	6.5
103.03921	0.6
103.05519	0.5
105.03388	2.2
105.07024	4.0
106.03780	0.7
107.04948	1.3
107.08598	7.5
109.02881	10.7
109.06503	6.4
109.10142	2.2
111.04431	1.0
111.08060	1.1
115.03912	1.8
119.08561	4.6
121.06514	3.1
121.10147	3.1
121.10869	0.5
122.07266	4.8
123.04432	0.7
123.08070	18.9
123.11711	0.8
127.03910	24.3
131.08553	1.6
133.04912	0.5
133.10118	5.8
135.08047	30.1
135.11670	4.4
136.08542	0.5
137.05959	1.1
137.09630	1.4
137.13255	0.6
139.07516	0.7
141.05487	0.7
145.04955	38.2
145.10089	1.4
147.08086	0.8
147.11678	3.9
148.08829	1.2
149.09625	2.3
149.13257	1.5
158.10847	0.6
161.09631	1.1
163.03880	1.1
163.06023	5.7
163.11089	0.6
163.14867	1.1
165.12749	19.7
166.12943	0.6
167.07056	1.9
171.06534	2.0
173.13239	2.2
175.11169	0.5
175.14851	3.9
176.11928	4.7
184.07314	0.7
189.07567	2.6
191.14301	91.6
192.14594	1.6
193.15862	11.6
204.10965	1.2
207.13774	3.1
209.15382	14.3
261.91174	0.5
271.05981	3.1
281.68939	0.5
290.62338	0.6
309.16782	0.8
335.18661	0.8
353.13846	0.6
353.19547	3.0
371.20602	10.2
398.16711	0.6
490.45255	0.8
533.25916	36.8
533.31952	1.4
534.26221	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2723
Annotation	Roridin A
Peak:m/z	Relative Intensity
67.05508	1.3
70.77727	0.5
79.05476	1.4
81.03410	1.6
81.07053	2.2
83.04964	1.0
85.02886	1.5
86.09695	2.0
91.05489	1.0
93.07037	1.1
96.34628	0.6
98.22681	1.2
102.01273	0.6
104.10729	2.9
105.07077	0.7
119.08595	1.0
125.00002	1.2
131.08585	0.7
142.72212	0.7
145.99954	0.6
184.07356	4.3
219.33975	0.6
239.72679	0.7
249.11058	2.7
251.12582	3.4
290.79776	0.7
305.13556	1.7
307.15277	3.9
533.27216	100.0
534.27478	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.9
53.03946	2.6
55.01654	0.7
55.01876	6.8
55.05508	21.0
55.05776	1.0
56.00902	0.6
57.03431	2.0
57.85734	0.6
59.04979	1.0
65.03931	2.1
67.05500	27.2
69.03419	3.5
69.07063	7.6
69.78080	1.8
71.04989	2.9
73.06567	1.0
77.03933	1.8
78.76523	0.7
79.05490	40.2
81.03418	2.9
81.07053	49.6
83.04980	6.4
83.08617	10.6
85.02901	2.0
85.06534	1.3
91.05476	26.7
93.07040	33.8
95.04962	18.0
95.08605	11.5
96.89626	0.7
97.02911	0.9
97.06541	3.1
97.10167	15.3
99.08065	1.0
103.05459	1.3
105.03432	0.8
105.04520	2.6
105.07027	22.3
107.04957	7.2
107.08590	14.5
107.09262	1.2
109.06519	7.8
109.10155	5.6
111.04452	6.7
111.08076	3.8
115.05470	1.4
117.07017	10.6
119.08575	21.9
121.06497	5.8
121.10139	6.9
123.08069	9.5
123.11671	0.9
125.09636	11.6
128.06226	1.9
129.07005	9.7
131.08566	8.3
133.06500	2.9
133.07474	0.7
133.10136	7.3
135.08051	6.5
135.11685	3.9
137.09628	2.3
139.11166	1.8
141.06972	0.9
143.08560	5.2
145.06491	1.4
145.10117	14.1
147.08055	9.7
147.11688	15.4
149.09602	5.8
149.13326	0.7
153.09062	3.8
153.12756	3.2
155.08519	1.6
157.10106	3.1
159.08073	2.1
159.11665	4.3
161.09615	7.6
161.13231	5.1
161.31012	0.7
163.11163	8.8
165.09119	3.6
169.10123	0.8
171.10251	0.9
171.11685	16.2
173.09621	2.7
175.11220	1.5
177.09077	0.8
177.12691	1.0
179.14316	1.2
181.10266	0.6
181.12225	4.4
183.11702	0.9
185.13242	2.2
187.11246	0.7
189.11203	12.7
189.12778	9.5
191.10611	6.5
198.84277	0.7
199.11201	0.8
203.14279	0.9
205.12207	1.0
207.13797	14.4
209.11710	1.6
223.13277	6.1
225.14751	1.3
227.12675	5.8
227.17999	1.2
237.16350	1.6
245.18970	2.1
249.14830	2.7
255.17476	4.9
263.19949	0.8
273.18484	28.2
291.19528	100.0
292.19797	1.6
309.20538	5.2
341.21118	0.8
475.83862	0.7
479.31311	1.0
497.32446	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.4
51.80199	1.2
53.03932	4.2
55.01870	2.2
55.36188	1.2
57.03438	1.6
59.21203	1.5
61.02896	1.5
61.46294	1.3
67.05505	2.9
69.03421	4.0
70.25694	2.0
70.26024	1.5
77.03931	1.9
79.05493	6.7
81.03416	11.2
81.07053	2.4
83.01344	1.3
85.02913	8.2
86.09713	1.4
91.05482	6.4
93.07030	1.7
95.04967	74.7
97.02899	8.1
99.04448	8.4
105.03395	3.4
105.04504	4.1
105.07038	5.7
107.04944	6.8
107.08578	1.4
109.02873	9.5
109.06506	1.8
110.04581	1.2
115.05441	2.7
117.07013	4.2
119.04953	1.4
119.08516	1.6
121.06501	2.3
123.04424	18.4
125.02341	3.4
127.03928	11.1
128.06229	2.6
129.06989	7.5
131.04951	2.2
131.08545	2.3
133.02847	12.5
133.06485	3.2
135.04414	47.7
135.07999	1.4
137.05962	4.9
141.07014	7.8
145.02876	1.5
145.05009	2.2
145.06464	4.8
147.04391	3.6
147.08041	3.0
149.05975	2.5
151.03906	93.9
152.04247	1.5
153.05431	13.5
155.03389	11.6
157.06503	13.4
159.04366	2.1
159.08081	6.7
161.02350	13.5
161.05971	7.9
163.03902	14.5
163.07584	1.4
165.05475	59.7
166.05763	1.7
167.03468	1.5
167.07005	2.9
169.06467	3.2
173.06009	1.8
175.07552	5.2
177.05428	3.0
179.03401	6.0
179.07004	1.8
181.05017	2.4
185.05988	16.4
187.07513	12.3
189.01823	3.5
189.05441	6.9
191.03447	1.9
191.07002	2.2
191.16460	1.5
199.04100	1.6
203.07007	10.0
205.08595	2.0
207.02884	5.7
207.06557	2.7
207.37335	1.4
213.05420	12.1
214.06255	1.4
215.07076	6.5
217.04836	1.8
221.08099	1.7
225.03902	10.4
231.06511	14.7
233.08099	5.8
235.02350	4.9
235.06024	4.6
241.04924	6.9
243.06540	3.5
249.07544	6.3
251.47197	1.5
253.03400	8.8
259.05963	15.3
261.07523	1.7
265.91776	1.2
277.07037	8.5
287.05466	14.4
295.07819	1.5
305.06522	54.8
306.06952	2.0
319.08090	3.9
323.07599	100.0
324.08282	1.5
337.09201	3.6
341.08636	2.4
355.10217	1.9
357.62756	1.4
505.05353	1.4
534.21906	5.0
535.16901	1.9
535.24310	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.4
51.80199	1.2
53.03932	4.2
55.01870	2.2
55.36188	1.2
57.03438	1.6
59.21203	1.5
61.02896	1.5
61.46294	1.3
67.05505	2.9
69.03421	4.0
70.25694	2.0
70.26024	1.5
77.03931	1.9
79.05493	6.7
81.03416	11.2
81.07053	2.4
83.01344	1.3
85.02913	8.2
86.09713	1.4
91.05482	6.4
93.07030	1.7
95.04967	74.7
97.02899	8.1
99.04448	8.4
105.03395	3.4
105.04504	4.1
105.07038	5.7
107.04944	6.8
107.08578	1.4
109.02873	9.5
109.06506	1.8
110.04581	1.2
115.05441	2.7
117.07013	4.2
119.04953	1.4
119.08516	1.6
121.06501	2.3
123.04424	18.4
125.02341	3.4
127.03928	11.1
128.06229	2.6
129.06989	7.5
131.04951	2.2
131.08545	2.3
133.02847	12.5
133.06485	3.2
135.04414	47.7
135.07999	1.4
137.05962	4.9
141.07014	7.8
145.02876	1.5
145.05009	2.2
145.06464	4.8
147.04391	3.6
147.08041	3.0
149.05975	2.5
151.03906	93.9
152.04247	1.5
153.05431	13.5
155.03389	11.6
157.06503	13.4
159.04366	2.1
159.08081	6.7
161.02350	13.5
161.05971	7.9
163.03902	14.5
163.07584	1.4
165.05475	59.7
166.05763	1.7
167.03468	1.5
167.07005	2.9
169.06467	3.2
173.06009	1.8
175.07552	5.2
177.05428	3.0
179.03401	6.0
179.07004	1.8
181.05017	2.4
185.05988	16.4
187.07513	12.3
189.01823	3.5
189.05441	6.9
191.03447	1.9
191.07002	2.2
191.16460	1.5
199.04100	1.6
203.07007	10.0
205.08595	2.0
207.02884	5.7
207.06557	2.7
207.37335	1.4
213.05420	12.1
214.06255	1.4
215.07076	6.5
217.04836	1.8
221.08099	1.7
225.03902	10.4
231.06511	14.7
233.08099	5.8
235.02350	4.9
235.06024	4.6
241.04924	6.9
243.06540	3.5
249.07544	6.3
251.47197	1.5
253.03400	8.8
259.05963	15.3
261.07523	1.7
265.91776	1.2
277.07037	8.5
287.05466	14.4
295.07819	1.5
305.06522	54.8
306.06952	2.0
319.08090	3.9
323.07599	100.0
324.08282	1.5
337.09201	3.6
341.08636	2.4
355.10217	1.9
357.62756	1.4
505.05353	1.4
534.21906	5.0
535.16901	1.9
535.24310	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13120	0.6
55.01859	0.7
55.05517	1.4
57.03436	8.3
59.04988	2.2
61.02913	1.6
61.40326	0.5
65.03933	1.6
67.05490	1.6
69.03426	29.7
69.07050	1.1
73.02908	2.8
75.04471	0.8
79.05488	2.1
81.03426	3.1
81.07058	3.0
83.04977	1.1
85.02903	27.9
85.06540	22.7
87.04463	18.8
91.03942	1.3
91.05457	1.7
93.07034	1.8
95.04967	2.5
95.08602	2.2
97.02892	23.4
97.06494	1.4
99.04435	1.3
105.07030	1.3
107.04940	1.3
107.08582	1.9
109.02855	1.2
109.06528	3.3
109.10167	0.6
111.04454	1.7
111.72738	0.6
115.03928	33.1
117.06997	0.7
117.45343	0.7
119.08584	1.2
121.02864	43.3
121.06492	1.1
121.10122	1.2
121.89008	0.7
123.04408	0.6
123.08068	1.8
127.03906	6.2
133.04961	32.6
135.08043	1.8
135.22652	0.6
137.05998	0.9
139.03897	100.0
140.04227	1.0
145.04951	7.9
146.06015	1.2
147.04523	0.8
150.07614	2.7
151.03914	0.8
151.07562	0.6
153.09081	1.7
159.06464	0.9
163.03879	2.0
163.06027	2.6
163.07536	1.8
173.05998	1.5
181.04944	0.7
181.08566	0.9
184.07271	0.7
185.05960	0.6
187.07591	1.2
187.14880	0.8
191.14357	0.9
199.09636	4.2
205.08633	3.5
211.09628	1.3
217.04868	0.8
217.10722	0.9
229.10678	3.6
241.07152	1.2
259.08109	1.3
277.08917	0.8
295.10190	1.0
309.91833	0.7
319.22601	0.7
355.15271	0.6
372.20093	1.5
463.28128	0.6
490.35791	0.6
533.32990	1.2
534.26105	1.0
534.33240	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97915	0.7
56.92806	0.8
58.01360	0.7
65.03968	0.8
69.03436	1.3
69.19465	1.6
69.19875	2.4
77.44512	0.7
79.05485	3.0
81.03426	0.7
81.07046	1.0
85.02906	0.8
91.05485	4.0
94.04169	1.9
95.04962	4.9
97.02876	0.7
103.05459	1.2
105.07040	0.8
107.04961	6.1
109.02858	1.1
109.06510	0.8
119.04977	5.6
119.08628	0.8
121.06482	2.4
122.03654	4.6
123.04439	0.9
125.06003	0.8
130.45956	0.7
131.04929	1.2
133.06453	1.0
133.93884	0.7
135.04410	5.3
137.05974	100.0
138.06326	1.4
141.06999	1.1
147.04405	5.5
149.05994	6.1
150.06714	0.9
151.03889	4.5
151.07564	1.3
152.10738	0.7
153.05528	1.3
153.07031	1.6
157.06425	0.9
161.05928	3.7
163.03958	2.5
163.07512	1.2
165.05612	1.4
165.07024	3.3
165.09016	0.8
167.07043	6.5
168.29033	0.7
172.04802	0.7
177.05539	0.7
179.07063	4.2
181.06459	2.0
183.08035	3.6
201.14287	0.7
209.06064	1.0
210.06819	1.2
211.07535	2.1
213.09006	1.1
221.05988	2.3
222.06683	1.2
225.09122	1.6
233.05907	0.8
237.09074	1.1
239.07213	0.9
241.08557	1.3
253.08575	0.9
265.08585	2.5
271.09650	19.2
273.11105	3.8
283.09610	1.1
285.11142	5.8
297.11185	5.4
305.06644	1.1
309.11093	1.1
315.12286	9.0
323.07678	2.8
327.12292	1.0
354.51828	0.7
471.73248	0.8
534.20563	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	534.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07274	0.8
58.60100	0.6
65.03943	1.2
67.05489	1.8
69.03419	3.2
69.79063	0.6
70.06590	1.4
74.02444	1.3
79.05502	6.8
81.03408	1.1
81.07051	1.2
84.56270	0.7
85.02905	2.4
87.74747	0.7
89.55146	0.7
91.05498	5.1
93.07040	1.5
94.04168	3.1
95.04975	5.7
95.08606	0.9
97.02863	1.9
99.04436	0.9
103.05465	2.5
105.07008	2.1
106.06540	1.6
107.04945	15.7
107.08610	0.9
108.70187	0.7
109.02862	4.5
109.06477	0.9
111.04485	0.9
113.05991	1.0
119.04957	4.8
120.59236	0.7
121.06518	5.0
122.03644	6.5
123.04430	2.3
124.04005	1.4
125.02340	1.1
125.05936	1.1
127.03945	1.8
131.04918	2.2
133.02849	1.0
133.06465	1.4
133.10165	1.1
134.03703	0.8
135.04408	14.9
137.05980	100.0
138.06322	1.4
139.03880	1.7
147.04427	8.6
149.05978	8.8
150.06787	0.9
151.03885	4.2
151.07535	2.5
153.05472	2.5
153.07048	1.7
161.05948	5.6
162.06801	2.0
163.07564	1.2
165.05486	9.9
165.06992	4.1
167.07036	12.4
174.08693	1.3
177.05484	5.3
179.07063	6.2
179.08498	1.4
181.06503	2.6
183.08031	2.4
193.06448	1.8
194.07205	1.4
195.06564	3.6
195.08107	0.8
204.06464	0.7
205.06619	0.9
209.08093	6.4
210.06786	1.4
211.07588	3.5
213.09036	1.0
221.06004	1.8
222.06709	1.2
225.09142	1.1
227.09140	1.0
237.09175	1.3
239.07085	1.7
241.08611	1.7
252.10475	1.3
253.08693	1.8
254.09291	0.9
265.08609	4.1
267.10257	1.4
271.09656	22.5
272.09918	0.8
273.11215	3.7
277.08438	0.8
283.09668	1.4
283.20453	1.9
285.11261	5.1
285.22229	0.8
297.11188	7.6
301.21674	1.6
315.12308	10.8
319.22638	1.0
322.11438	0.8
323.07944	1.4
323.11319	7.2
327.12421	0.8
337.12717	5.7
337.23621	1.2
339.12109	1.6
354.13428	2.3
355.14026	1.3
372.14706	2.1
378.95697	0.8
401.13931	1.3
433.16418	1.7
451.17368	1.3
463.17593	1.4
489.13364	0.8
534.20325	4.3
535.19580	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	534.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	0.5
58.06618	0.4
59.07119	0.1
59.07401	0.2
60.08161	6.5
67.05496	0.2
67.08118	0.1
70.06578	0.1
70.40572	0.1
70.40895	0.1
71.07370	3.1
71.08625	0.2
71.45061	0.1
79.05480	0.2
81.07040	0.2
86.09702	32.0
87.10021	0.2
87.83878	0.1
91.05448	0.1
93.07034	0.3
95.08606	0.1
98.98461	3.1
104.10738	4.4
109.10114	0.1
119.08552	0.1
121.10159	0.1
124.99995	22.7
143.01042	0.3
179.14343	0.1
184.07329	100.0
185.07681	0.6
204.60164	0.1
258.10980	0.2
316.30304	0.1
516.30688	0.9
534.31909	7.1
535.32184	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62141	0.1
56.05035	0.5
58.06374	0.1
58.06622	0.3
60.08162	6.2
61.71633	0.1
63.10706	0.1
67.05491	0.3
70.04649	0.1
71.07369	2.6
71.07732	0.2
71.57379	0.1
79.05485	0.3
81.07063	0.3
82.76881	0.1
86.09705	29.2
87.10056	0.3
87.47112	0.1
88.87563	0.1
91.05497	0.2
93.07051	0.3
97.36572	0.1
98.22689	0.2
98.98459	2.9
104.10738	3.0
105.07067	0.1
124.99999	20.9
143.01033	0.2
181.18755	0.1
184.07336	100.0
185.07750	0.6
196.87918	0.1
258.11130	0.2
433.37186	0.1
498.29825	0.7
516.30847	4.9
517.31396	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30424	0.2
51.42857	0.2
52.61846	0.2
55.05509	0.3
56.05026	0.5
57.03418	0.2
58.06586	0.3
60.07872	0.3
60.08161	6.2
67.05505	0.5
69.07068	0.4
69.96349	0.4
69.96683	0.5
71.07375	2.8
72.89914	0.2
79.05509	1.1
81.07047	0.8
85.02887	0.3
86.09702	29.9
91.05459	0.3
93.07043	0.9
95.04948	0.3
95.08593	0.5
98.23414	0.3
98.98454	3.2
104.10101	0.4
104.10739	5.6
105.07021	0.7
107.08568	0.3
108.15589	0.2
119.08566	0.3
121.10137	0.5
125.00001	20.7
143.01099	0.3
147.11668	0.3
159.11659	0.2
184.07333	100.0
185.07681	0.9
234.09537	0.3
251.12463	0.4
275.19916	0.3
307.15225	0.5
337.27487	0.3
379.11810	0.3
386.83963	0.2
498.29648	0.9
516.30865	5.5
517.31281	0.3
535.21069	0.4
535.28754	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	534.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
56.05031	1.1
57.03436	0.5
57.41304	0.3
58.06606	1.0
60.08165	15.7
65.03938	0.5
67.05498	1.4
69.07047	0.5
69.48539	0.3
70.59193	0.5
71.07375	6.1
71.08627	1.3
73.02914	0.4
79.05487	1.3
79.14294	0.3
81.07043	1.9
83.08626	0.4
86.09705	51.4
87.10048	0.6
91.05474	0.5
93.07037	1.3
95.05016	0.4
95.08607	1.3
98.98465	3.5
104.10742	81.3
105.07020	0.6
105.11066	0.7
107.08575	0.7
109.10204	0.4
113.36438	0.3
119.08562	0.3
121.10155	0.8
124.90023	0.3
125.00002	27.4
133.10059	0.3
135.11716	0.5
149.02348	1.9
149.13284	0.5
151.11209	0.5
161.13403	0.3
163.01588	0.4
179.14339	0.8
184.07339	100.0
185.07727	0.7
193.04907	0.5
258.11020	0.6
301.02084	0.3
351.25229	0.5
429.11829	0.5
516.30792	4.4
517.17145	1.2
534.32001	31.5
535.32233	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.8
57.03434	0.3
58.06614	0.3
60.08163	5.7
67.05490	0.4
69.57998	1.2
70.30736	0.3
71.07071	0.3
71.07378	3.0
83.04957	0.4
86.09705	28.6
95.08625	0.3
98.98466	3.0
104.10746	3.0
125.00002	21.0
184.07338	100.0
185.07828	0.4
226.87567	0.3
289.96738	0.3
434.23254	0.6
516.30750	1.0
534.31824	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	534.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44662	0.2
55.01874	0.2
55.05505	0.3
56.05032	0.6
57.03438	0.6
58.06365	0.2
58.06619	0.5
58.57849	0.2
60.08165	5.9
61.02895	0.3
67.05505	0.7
69.03426	1.0
69.07092	0.3
70.58672	0.3
71.05040	0.2
71.07372	2.8
73.02913	1.9
78.58768	0.2
79.05496	0.5
81.03440	0.3
81.07053	0.9
85.02902	2.8
86.09705	29.8
91.05489	0.4
93.07033	0.6
95.08616	1.4
97.02890	2.0
98.72923	0.2
98.98463	2.7
104.10736	3.1
104.11386	0.3
105.07055	0.3
107.08580	0.5
107.48913	0.2
109.02887	0.2
109.10137	1.2
115.03937	0.9
116.03313	0.2
119.08578	0.3
121.10165	0.5
124.99999	20.4
127.03912	0.9
133.04961	0.9
135.11673	0.7
145.04953	1.5
147.11732	0.2
149.13254	1.3
163.06029	0.8
184.07336	100.0
185.07660	0.4
205.19499	1.7
223.06071	0.5
241.07104	0.5
259.08173	0.7
277.09103	0.2
281.60324	0.2
295.10217	0.5
337.13879	0.2
498.29620	0.7
516.30865	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	534.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
55.05516	1.6
56.05033	0.5
57.03427	0.4
57.07065	0.5
58.06350	0.3
58.06615	0.5
59.07402	0.2
60.08162	6.1
65.03952	0.2
67.05505	5.5
69.03436	1.0
69.07068	1.9
69.56940	0.4
71.05008	0.2
71.07373	3.2
71.07745	0.3
77.74529	0.2
79.05494	1.9
81.03413	0.5
81.07056	6.3
83.04975	0.3
83.08633	1.1
85.02903	1.7
86.09703	28.7
87.09986	0.2
91.05461	1.2
93.07043	2.1
95.04955	0.3
95.08605	4.2
95.09208	0.2
97.02885	1.4
97.06532	0.4
97.10174	0.6
98.22628	0.2
98.98450	2.4
99.04472	0.3
99.08072	0.2
104.10738	2.6
105.07024	1.1
107.04953	0.2
107.08601	1.0
109.02848	0.2
109.10165	2.1
111.04438	0.3
111.08060	0.3
113.09641	0.2
117.07021	0.3
119.08561	0.9
121.10154	1.2
121.59326	0.2
123.11732	1.1
125.00000	19.8
127.03931	0.8
129.05492	0.5
129.06877	0.2
131.08589	0.6
133.10117	1.0
135.11668	0.7
137.13263	0.3
143.01054	0.2
145.04938	0.7
145.10136	0.3
147.11646	0.5
149.09634	0.2
149.13264	0.7
161.13275	0.5
163.14815	0.6
165.12692	0.2
166.02661	0.2
173.13297	0.3
175.14818	0.4
184.07336	100.0
185.13251	0.2
189.16463	0.2
208.17761	0.2
245.22556	0.6
258.10855	0.3
261.22174	1.3
263.23685	2.7
279.23172	0.5
291.19016	0.2
291.23022	0.4
305.24707	0.2
317.24841	0.4
319.26440	0.2
329.24643	0.5
343.26303	0.3
347.25793	0.9
353.24768	0.3
371.25800	1.3
389.26740	1.1
407.27676	0.8
425.29044	1.4
475.22430	0.2
516.34344	0.9
534.35632	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	534.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.4
56.05026	1.0
58.06613	0.7
60.07865	0.5
60.08161	7.3
67.05509	0.7
69.07062	0.5
71.07371	3.6
78.66986	0.2
79.97310	0.3
81.07047	0.7
83.50051	0.2
86.09705	33.9
91.05469	0.4
93.07043	0.3
95.08614	0.7
98.98471	3.0
104.10740	21.8
109.10139	0.3
124.99998	19.0
184.07338	100.0
185.07715	0.4
373.27231	0.4
475.22263	4.3
516.33948	0.9
516.64838	0.3
534.28583	2.8
534.36816	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	534.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80941	1.2
53.03938	1.6
55.05514	14.0
57.03440	3.6
57.07067	9.3
60.08163	13.4
61.02927	3.9
65.03949	1.6
67.05502	45.0
69.03429	1.6
69.07072	15.8
69.25018	5.1
69.25420	2.8
71.07364	6.6
71.08634	3.1
79.05492	11.6
81.07054	48.6
83.04979	1.6
83.08614	11.8
85.02897	2.9
85.06522	1.5
85.10218	1.7
86.09701	45.2
86.10221	2.3
91.04004	1.1
91.05473	9.5
93.07034	16.2
93.07522	1.4
94.27111	1.1
95.08602	43.9
97.02887	2.3
97.06526	3.4
97.10167	8.8
98.23420	3.0
98.98455	3.5
99.08061	2.9
104.10739	77.6
105.07035	5.6
105.11127	1.3
105.44139	1.4
107.08589	11.7
109.10156	24.5
111.08071	2.5
111.11707	2.2
117.06998	1.3
119.08588	7.5
121.10138	12.5
123.11694	13.3
125.00005	23.5
125.00834	2.4
125.13332	1.2
133.10107	9.2
135.11670	7.7
137.09589	1.6
137.13274	4.9
141.12746	2.8
145.10069	3.2
147.11688	6.4
149.13281	5.5
150.13614	1.2
151.11263	1.6
151.14851	4.7
155.14279	2.3
159.11679	2.5
161.13171	6.7
163.14824	6.1
165.16412	4.3
167.14252	1.5
175.14809	6.4
179.18005	3.0
181.15868	2.1
184.07341	100.0
187.14833	3.3
189.16348	2.9
195.26494	1.2
215.14342	4.5
231.37260	1.5
233.15283	12.4
245.22632	36.5
263.23685	48.2
264.24002	2.1
337.27393	33.4
355.26001	3.1
373.27264	17.0
475.22290	7.8
499.32645	1.5
516.34485	3.3
534.29382	4.6
534.36188	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	534.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47146	0.2
53.03949	0.4
54.30950	0.3
55.05262	0.3
55.05513	4.1
56.05032	0.4
57.03426	1.1
57.07081	1.4
58.06612	0.4
60.07877	0.4
60.08167	6.0
65.03953	0.4
67.05504	15.5
67.97205	0.2
69.03426	2.3
69.07066	3.3
69.57772	1.1
71.04991	0.8
71.07373	2.6
71.08630	0.7
79.05493	4.8
81.03414	1.0
81.07058	15.4
83.04964	1.3
83.08623	2.5
85.02903	4.9
85.06526	0.7
85.10209	0.4
86.09707	30.0
87.04485	0.3
91.05475	3.2
93.07050	5.6
95.04949	0.9
95.08607	11.8
97.02904	4.4
97.06516	0.6
97.10159	1.2
98.98479	2.9
99.04472	0.5
99.08099	0.7
104.10721	2.9
105.07027	2.8
107.04951	0.3
107.08580	3.5
109.02875	0.6
109.10167	4.5
111.04425	1.0
111.08075	0.4
111.11739	0.5
113.09641	0.5
117.07007	0.8
119.08583	2.3
121.10142	3.2
123.11708	2.5
125.00002	20.6
127.03915	2.1
129.05487	0.7
131.08566	1.6
133.10085	1.9
135.11707	2.0
137.09593	0.3
137.13235	0.7
145.04980	1.4
145.10112	1.1
147.11707	1.4
149.09679	0.4
149.13269	1.2
151.11203	0.4
151.14786	0.3
155.08527	0.3
159.11710	0.9
161.13245	1.3
163.14854	1.0
165.16408	0.6
173.13231	0.5
175.14824	1.3
177.16429	0.6
179.85059	0.3
181.12181	0.4
184.07344	100.0
185.07674	0.7
187.14783	0.4
189.16455	0.4
201.16391	0.4
212.63145	0.3
243.21100	0.4
245.22676	2.0
261.22153	3.0
263.23700	5.7
279.23166	1.2
287.23563	0.3
291.23236	0.9
303.22992	0.3
305.24655	0.7
317.24683	1.1
319.26553	0.4
329.24734	1.0
343.26266	0.7
347.25848	2.7
353.24881	1.0
359.25858	0.5
371.25806	3.0
389.26874	3.3
407.27911	2.2
425.29016	3.2
475.22110	0.4
516.34363	1.0
534.35748	2.9
560.15063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36778	1.7
53.03956	4.1
55.01867	6.2
55.05511	29.6
56.05854	2.0
57.03427	2.4
57.07073	5.9
60.08162	2.8
60.19937	1.5
61.02936	2.1
65.03932	3.0
67.05502	76.0
68.05826	3.8
69.03432	6.7
69.07064	21.8
69.11720	1.6
69.68177	6.1
71.05000	4.9
71.08631	3.8
79.05495	42.6
80.05829	6.1
81.03432	5.1
81.07054	100.0
82.07397	10.3
83.04990	8.4
83.08617	25.5
84.08956	2.3
85.02923	5.9
85.06543	3.5
86.09711	14.2
88.10636	1.6
89.60922	1.4
91.05478	30.7
92.05257	1.8
92.05827	6.5
93.07047	44.8
94.07386	7.1
95.04958	16.4
95.08603	59.3
96.05315	4.2
96.08960	2.3
97.02895	3.7
97.06547	5.9
97.10175	18.3
98.10481	2.5
99.04476	2.1
99.08139	3.1
101.91710	1.6
103.05449	1.7
104.10750	16.7
105.04530	2.8
105.07028	24.9
106.07377	3.3
107.04952	4.5
107.08594	19.3
108.05281	2.0
108.08944	2.7
109.06514	6.2
109.10163	31.2
111.04428	8.6
111.08077	4.9
111.11727	1.9
112.04823	2.2
114.47166	1.5
117.07019	9.6
118.07359	5.1
119.08589	23.4
120.08912	3.8
121.06496	6.6
121.10146	20.7
122.10486	2.5
123.08078	7.8
123.11702	14.1
125.00014	8.2
125.09615	9.8
125.13229	1.8
126.09945	2.3
129.06998	4.8
131.08592	10.1
132.08890	3.6
133.06538	1.9
133.10143	17.8
134.10432	2.4
135.11710	13.0
137.09628	3.5
137.13252	7.4
139.11206	1.7
141.12770	3.0
143.08546	4.3
145.10107	8.5
146.10417	3.6
147.08107	7.9
147.11668	15.4
148.08337	2.5
148.12048	4.6
149.09657	3.6
149.13254	6.8
151.14827	3.5
154.09392	1.5
157.10114	2.6
157.52824	1.8
158.10561	2.2
159.11688	3.3
161.09608	4.9
161.13220	12.5
163.11186	5.0
163.14825	8.8
164.11591	2.0
165.09102	3.8
165.16441	7.1
171.11673	9.1
172.12044	4.5
175.14861	6.9
177.16351	2.4
179.17963	3.6
181.12183	2.2
184.07346	32.4
185.13307	2.4
189.11194	8.3
189.12811	5.9
189.16405	3.4
190.11559	2.4
190.13097	4.2
191.10692	2.3
192.10989	2.1
201.12663	2.1
203.17970	1.7
207.13716	7.6
208.14189	6.3
213.16139	1.7
217.19531	3.4
223.13330	3.6
224.13734	2.0
245.22627	42.0
245.25066	2.3
255.17529	1.7
263.23691	58.5
273.18552	11.7
274.18863	14.1
291.19525	34.3
292.19904	49.1
337.27408	24.3
341.05899	1.6
355.28500	1.8
371.25763	2.4
389.26779	3.3
407.27826	5.1
425.29288	2.5
475.21863	2.0
534.35388	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	534.38
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56066	0.9
55.01892	1.3
55.05512	11.7
56.05036	1.4
57.03436	2.8
57.07080	8.4
60.08163	10.5
61.02925	3.1
64.10597	0.9
66.75422	0.9
67.05505	35.4
69.03436	1.0
69.07071	13.4
69.64952	3.4
71.05027	1.3
71.07359	4.8
71.08640	2.9
72.03350	1.0
72.88002	0.9
79.05496	10.3
81.07059	47.3
83.08624	13.0
85.02913	3.2
85.06544	2.0
85.10186	1.6
86.09711	45.0
91.05480	6.9
93.07049	14.1
95.04964	2.0
95.08607	40.2
97.02897	1.5
97.06524	2.7
97.10155	6.8
97.81139	1.1
98.22715	1.5
98.98445	2.9
99.08110	2.3
104.10746	74.5
105.07039	10.0
107.08610	14.0
107.09281	1.8
108.90417	1.0
109.06550	2.4
109.10164	20.9
111.08091	2.9
111.11738	1.8
117.07003	1.6
119.08572	10.3
121.06520	2.3
121.10152	13.1
123.08072	3.3
123.11703	8.5
125.00002	19.0
131.08551	4.2
133.10129	13.2
135.11670	7.9
137.09628	3.3
137.13260	3.4
141.12816	1.4
145.10144	14.0
147.11671	6.5
149.09692	1.3
149.13235	5.2
151.11179	1.4
151.14816	2.6
155.14238	1.1
157.10101	1.9
158.11003	1.2
159.08099	1.8
159.11694	8.7
161.13257	7.0
163.14790	4.7
164.69492	0.8
165.09120	1.2
165.12830	1.1
165.16403	3.9
172.12457	1.7
173.09621	1.7
173.13269	1.1
175.14830	7.1
177.16388	2.0
179.17957	2.9
184.07346	100.0
185.13301	1.9
187.14815	14.9
189.16368	4.0
197.13223	2.0
203.14371	2.3
203.17905	1.8
213.12640	1.5
215.14313	24.3
217.15875	5.1
233.15367	49.0
245.20151	1.9
245.22650	30.2
263.23712	38.0
281.24783	1.2
337.27536	24.8
355.26151	23.7
373.27380	70.7
374.27817	1.6
415.28470	10.6
447.79358	1.0
457.33121	2.5
475.22266	18.7
516.34320	1.5
534.29291	9.5
534.36060	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	535.2752
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
55.01861	1.1
55.05510	7.3
57.03427	1.0
57.07074	2.5
59.04996	1.7
60.87460	1.0
61.02919	1.3
67.05505	16.1
68.50432	1.0
69.03424	8.8
69.07068	11.6
69.29456	4.9
71.04988	3.5
77.76719	0.8
79.05495	4.5
81.03411	3.3
81.07053	16.4
83.04964	7.1
83.08614	5.0
85.02905	11.7
85.06532	4.4
89.03913	1.1
91.05478	3.6
93.07047	11.6
95.04968	4.2
95.08601	31.5
97.02887	3.5
97.06538	2.1
99.08095	3.9
103.05450	1.6
105.07026	8.3
107.04942	3.1
107.08592	22.7
109.02911	1.4
109.06512	9.3
109.10152	90.0
110.10513	1.5
111.08067	3.7
113.09622	2.0
117.07040	1.7
119.04939	1.8
119.08578	33.9
121.06522	1.2
121.10128	11.3
123.08077	12.0
123.11713	8.1
125.09625	2.4
126.24047	1.2
127.03935	2.1
127.11253	1.1
131.04935	2.8
133.06544	1.3
133.10117	20.4
135.04349	1.1
135.11687	97.6
136.12155	1.2
137.05978	14.0
137.09605	12.9
138.10396	1.1
139.11214	2.9
145.02831	2.0
145.04965	2.7
145.10078	1.4
147.04399	2.6
147.11700	3.0
149.05975	1.7
149.09627	1.6
149.13251	6.3
151.03833	1.3
151.07521	1.3
151.11191	9.4
151.14819	10.7
153.05505	2.5
153.12773	2.2
157.10168	1.2
159.11697	1.7
161.06024	3.7
163.03908	6.2
163.06201	1.1
163.07574	2.8
165.05531	1.4
165.12779	1.2
165.16406	2.3
167.05629	1.1
167.06956	1.9
167.10840	1.0
175.14812	42.2
177.05434	2.4
179.07042	4.0
181.06956	0.9
191.06953	1.0
193.08629	1.1
193.15872	69.9
203.06955	1.1
205.15868	1.5
209.08099	1.2
211.16922	100.0
212.17377	1.3
247.07477	1.0
287.05255	1.5
295.09644	1.0
299.06201	1.8
372.27240	1.0
373.12854	3.0
373.22116	1.6
431.19031	2.0
467.65051	1.1
473.16891	1.5
475.22330	1.0
503.10114	1.1
535.20966	7.0
535.28058	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	535.2878
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
51.70665	0.4
55.05505	0.5
57.03432	0.4
60.05998	0.4
60.08160	2.3
67.05493	1.1
68.98451	0.4
69.07084	0.3
69.32697	0.3
71.07374	1.3
71.45127	0.4
79.05482	1.1
81.03425	1.3
81.07038	1.5
81.48578	0.3
83.05006	0.4
83.08630	0.5
85.02897	1.4
86.09699	10.6
87.10027	2.0
91.05492	1.3
93.07036	1.3
95.04977	1.0
95.08591	0.4
98.98458	1.0
104.10756	1.7
105.07034	1.0
111.08107	0.5
119.08589	1.4
121.10107	0.3
124.99990	9.0
126.00354	0.5
129.07024	0.5
131.08582	0.7
133.10130	0.7
147.11668	0.6
157.10138	0.4
167.73538	0.4
175.11235	0.4
184.07330	35.9
185.07707	6.7
193.12180	1.1
229.03955	0.3
233.72482	0.3
251.12549	6.0
299.06204	0.9
307.15115	5.9
438.47345	0.4
446.37976	0.4
517.31073	2.4
535.28741	100.0
536.29266	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	535.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.8
55.05510	16.4
57.07072	8.7
66.89921	1.6
67.05500	29.1
69.03425	6.6
69.07063	26.7
70.03806	1.8
71.04971	2.4
71.08634	2.2
73.04752	2.4
77.28537	2.0
79.05495	20.0
81.03419	19.4
81.07055	100.0
83.04970	2.9
83.08602	15.6
84.19876	1.8
85.02888	5.5
85.06531	9.5
85.10194	1.8
91.05437	14.3
93.07046	38.9
95.04968	7.7
95.08605	78.3
97.02873	3.4
97.06524	4.5
97.10152	8.4
99.04430	5.8
99.08110	3.8
101.06056	3.3
103.05421	2.1
105.07015	17.0
107.04958	4.4
107.08592	43.5
109.02879	3.2
109.06512	5.9
109.10152	64.4
111.04499	1.9
111.08128	2.4
111.11716	4.6
115.05470	2.3
117.06982	2.3
119.08593	17.9
121.06535	3.7
121.10131	35.6
123.04408	2.1
123.08054	5.4
123.11692	33.3
127.04031	2.3
127.07539	6.8
127.11171	5.7
129.06987	2.9
131.04953	1.9
131.08551	8.0
133.10118	15.3
135.04355	2.8
135.08116	2.1
135.11700	28.8
137.06026	11.2
137.09590	6.1
137.13260	27.2
139.07574	2.6
139.11140	2.8
141.09090	4.3
145.02785	1.9
145.10078	4.3
147.11699	14.6
149.05940	3.0
149.09642	5.4
149.13266	23.2
151.11198	8.8
151.14836	4.0
153.09085	2.9
157.10110	3.5
159.11678	7.5
161.02354	3.3
161.13217	4.4
163.03918	27.8
163.11211	2.8
163.14815	7.2
165.05441	1.8
165.06851	2.4
165.12755	4.5
165.16342	2.4
167.05605	3.0
167.07024	2.6
167.10619	4.3
173.02344	7.3
173.06013	3.5
173.13246	3.3
175.11171	5.0
175.14815	3.1
175.37990	1.9
176.12051	2.2
177.07016	1.7
177.12756	5.3
177.16389	7.5
179.17958	3.2
181.12212	6.3
185.06061	4.1
185.13303	2.5
187.03891	8.7
189.16434	3.1
191.17998	4.9
193.12257	5.7
195.13792	10.9
199.03853	5.6
199.07726	2.9
203.17914	3.1
205.10155	5.9
205.19589	11.0
206.10449	7.6
209.15349	7.3
213.05467	8.8
221.15353	2.3
223.16969	3.8
235.16956	3.2
249.18561	12.2
250.06277	2.5
263.20056	9.1
265.08362	2.5
267.13766	6.2
267.19681	3.3
269.08176	2.0
283.09473	3.0
293.11557	2.2
299.06128	8.2
301.25217	3.1
311.12701	8.3
311.16086	2.3
319.26303	86.9
320.26675	2.0
325.10629	5.0
326.11395	4.4
327.15878	2.6
337.14310	14.3
337.27350	72.2
355.15363	44.0
355.28363	18.1
373.16531	4.1
373.29663	10.8
459.32370	1.9
476.16663	2.2
517.20404	7.4
535.20410	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	536.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01864	3.1
57.03434	4.0
60.04520	0.6
61.02927	6.3
65.03946	0.7
69.03427	15.3
69.12375	1.5
69.12776	1.8
71.04980	2.1
73.02908	2.0
78.31162	0.4
79.05492	1.7
81.03403	6.1
84.04492	0.6
85.02902	71.6
86.03223	0.6
87.04454	1.5
91.03948	3.6
91.05449	0.8
93.03419	0.6
97.02261	1.0
97.02890	20.5
98.06070	0.7
99.04460	3.0
103.05455	6.6
105.07032	3.3
107.04958	10.0
109.02877	5.7
111.04414	0.5
115.03907	1.5
115.05449	1.0
117.07034	0.8
119.05000	0.6
119.08558	1.4
120.05766	0.6
121.06509	0.8
123.11738	0.6
127.03913	16.8
131.04941	2.3
133.04927	0.8
133.06546	0.8
135.08051	8.1
137.09586	0.8
139.03894	4.2
144.06538	2.6
145.04958	27.2
149.09633	0.6
151.22688	0.5
154.06242	41.2
161.13243	0.5
162.07626	2.1
163.06015	11.7
163.07530	30.0
164.08000	0.6
165.12730	1.5
167.07022	1.0
180.07690	2.5
189.12723	1.0
195.10158	100.0
196.10515	2.0
207.13815	5.1
211.16893	0.5
217.67014	0.6
225.14751	1.0
297.55045	0.5
324.12857	1.0
325.11237	0.6
371.01749	0.5
408.74161	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.7
57.03437	4.4
59.04979	1.2
67.05495	1.1
69.03426	14.0
69.98732	1.1
71.01328	0.5
73.02899	0.8
73.13252	0.3
75.04470	0.5
76.69820	0.4
79.05512	0.6
81.03411	0.7
81.07054	0.8
83.04974	2.1
85.02393	0.8
85.02897	9.3
87.04465	9.8
92.22467	0.4
93.07056	1.0
95.04974	0.7
95.08604	2.5
97.02885	11.2
97.03490	0.9
97.06508	0.7
99.08085	1.1
103.03941	0.4
105.06966	0.8
107.08562	0.7
109.02846	0.7
109.06513	2.8
111.04440	1.4
115.03925	15.5
119.08574	1.5
121.06482	1.2
121.10128	4.0
123.08059	100.0
124.08404	0.9
125.05965	0.5
127.03915	1.3
132.84102	0.5
133.04956	13.7
135.11700	0.9
137.05981	0.6
137.09613	1.1
145.04961	1.6
145.10083	0.6
147.04366	0.6
147.11688	0.7
149.09642	2.3
151.07520	0.4
151.11189	3.1
152.67960	0.4
163.03885	0.5
163.06010	0.5
163.11182	1.3
165.12737	0.4
167.10588	1.8
176.08357	0.6
181.12210	13.6
188.00151	0.5
189.12833	1.0
207.10281	0.5
207.13809	6.1
225.14830	38.7
234.90710	0.4
240.60402	0.4
241.07155	0.6
259.08096	1.1
272.09018	0.7
277.09402	0.5
295.10080	0.4
299.06134	1.0
304.11536	0.8
357.19147	0.7
387.19736	0.6
416.51065	0.4
536.20862	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	536.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24512	0.8
52.37927	0.9
53.03942	1.9
54.83739	0.8
55.01877	2.5
55.05515	6.3
56.53908	0.7
57.03432	4.7
57.07062	1.4
61.02921	5.3
67.05511	5.8
69.03429	14.9
69.07059	8.5
71.05002	3.4
71.08654	0.9
73.02924	2.5
73.04760	2.7
79.05495	7.7
81.03416	7.5
81.07054	14.7
82.07394	1.4
83.04990	1.2
83.08614	6.0
85.02902	75.4
85.06538	2.2
86.09722	1.4
87.04485	2.0
91.03962	2.8
91.05473	4.3
91.05863	2.7
93.07043	15.0
95.04971	3.5
95.08606	27.9
96.08951	0.8
97.02894	20.6
97.10178	3.7
98.23456	2.9
99.04456	3.4
99.08076	5.5
103.03947	1.5
103.05489	1.1
105.07018	7.9
105.07536	0.7
107.04948	1.5
107.08592	27.6
109.02872	7.4
109.06543	1.7
109.10145	6.8
111.04417	1.7
111.08087	3.5
111.93387	0.8
113.09650	1.6
115.03940	2.9
117.07017	2.1
119.08557	7.2
121.06466	1.0
121.10143	40.0
122.10467	1.2
123.11697	2.0
125.09633	3.1
127.03915	21.0
129.07024	0.9
131.05008	1.0
131.08591	2.8
133.04968	2.4
133.10121	5.6
135.08009	1.0
135.11691	8.2
137.05981	2.7
137.13260	4.2
143.08568	1.3
143.10669	5.2
145.04951	31.8
145.10135	4.2
147.11708	2.8
149.09698	1.3
149.13234	3.9
151.11151	1.2
153.09070	1.8
157.10159	2.8
159.08054	0.9
159.11656	4.0
161.13280	3.4
163.03934	1.8
163.05981	13.2
163.14864	2.0
167.05568	6.3
167.06853	1.2
171.11574	1.0
173.09654	1.6
173.13283	3.7
175.14816	3.4
177.16377	100.0
183.11671	2.0
187.14853	2.3
189.16403	1.6
192.09335	0.8
195.17415	7.9
199.14838	1.6
201.16422	3.7
203.10956	0.8
203.14313	3.0
207.17462	4.2
213.05493	1.2
213.16370	2.0
215.14218	0.9
217.15855	1.5
219.17494	1.1
223.14778	0.9
225.16411	1.0
227.14325	2.3
229.30092	1.1
231.17526	1.3
233.15276	0.9
234.15668	1.8
239.09593	1.3
243.17485	3.0
266.99854	1.3
267.17343	1.8
281.05219	1.0
283.02893	1.6
285.18448	4.4
299.06235	10.3
303.19443	4.5
320.26566	0.9
321.20554	4.3
325.11331	1.2
344.97729	2.0
355.15430	1.8
356.15863	2.9
357.22729	1.9
359.02750	1.1
373.27679	1.2
374.27579	3.8
413.46497	1.0
415.03772	1.7
503.10947	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	0.7
58.06599	0.4
60.08162	5.2
67.05500	0.6
71.07369	2.7
73.04739	0.6
79.05507	0.4
81.07035	0.6
86.09704	28.9
91.05801	0.6
98.23513	0.6
98.98453	2.8
104.10743	3.3
121.93682	0.2
124.99999	19.4
125.45764	0.2
149.04524	0.3
167.05513	0.8
184.07338	100.0
185.07637	0.5
225.04231	0.3
258.11102	0.3
274.38345	0.2
299.06113	2.2
344.97559	0.5
351.25055	0.4
415.03571	0.4
491.96921	0.3
500.31009	0.7
518.32434	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	536.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.1
56.05030	0.7
57.03440	0.1
58.06314	0.1
58.06628	0.5
59.07390	0.1
60.08162	6.1
67.05502	0.7
69.07051	0.1
70.06586	0.1
71.07373	3.0
73.04763	0.1
79.05501	0.2
81.07051	0.5
86.09704	29.9
87.10033	0.2
91.05363	0.1
91.05855	0.1
93.07021	0.2
95.08601	0.3
97.75422	0.1
98.98462	2.8
104.10740	2.9
105.06998	0.1
107.08595	0.1
109.10155	0.1
121.10176	0.1
124.99998	20.1
131.08521	0.1
131.65503	0.1
142.82256	0.1
143.01047	0.2
150.21904	0.1
163.01550	0.1
166.02824	0.1
167.05502	0.1
184.07333	100.0
185.07739	0.5
201.07364	0.1
226.49965	0.1
258.10953	0.2
299.06073	0.4
344.97678	0.1
500.31418	0.8
518.32422	7.1
519.32379	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01867	2.1
55.05516	10.3
57.07065	1.0
60.08165	6.1
66.41868	0.7
67.05507	7.9
67.74461	0.6
69.07073	4.5
71.04988	1.7
71.07362	2.8
73.04752	2.3
78.91920	0.6
79.05493	10.1
81.03415	3.0
81.07061	10.6
82.64492	0.7
83.04974	2.4
83.08627	8.6
86.09706	27.5
91.05387	4.6
93.07043	9.6
95.04972	12.5
95.08605	9.2
97.02895	0.8
97.06509	1.9
97.10145	2.1
98.98469	3.0
104.10724	3.1
105.07032	7.9
107.04969	3.6
107.08584	6.0
107.22815	0.7
108.08885	0.7
109.06506	2.7
109.10162	3.5
111.04438	0.9
111.08086	1.6
117.07046	3.4
119.08577	7.1
121.06499	1.8
121.10156	6.4
125.00009	18.0
125.09645	1.6
129.07016	1.3
131.08575	3.4
133.10138	4.8
135.08052	1.1
135.11678	6.1
137.09673	1.2
145.10136	8.0
147.11655	2.7
149.04521	1.4
149.09607	4.6
154.60088	0.7
155.08575	0.7
157.10240	0.9
159.11711	1.9
161.13255	1.4
163.11185	13.2
165.12817	1.0
167.05534	3.5
169.10043	1.0
171.11674	1.2
173.09616	1.6
173.13326	0.8
175.11169	0.9
181.12233	1.7
184.07343	100.0
189.11195	2.4
197.13361	0.7
205.12209	0.7
209.11708	1.2
219.17439	1.1
223.13277	7.3
227.12764	21.4
239.09471	1.4
239.17979	1.4
257.19031	3.5
266.99951	1.2
275.20090	25.9
276.20410	1.2
283.03009	1.5
293.21097	24.6
293.24429	1.2
294.21667	3.6
299.06146	9.2
300.06250	0.8
341.68927	0.8
344.97672	1.5
392.13422	0.7
394.42065	0.8
518.35822	1.7
536.37097	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	536.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
55.05507	3.4
56.05026	0.7
57.03436	0.6
57.07064	0.3
58.06582	0.3
60.08163	7.0
67.05504	4.3
69.07073	2.4
70.06492	0.9
71.07378	3.0
71.08632	0.4
73.04726	0.3
74.58315	0.3
79.05493	3.8
81.03426	0.8
81.07057	4.9
83.01401	0.3
83.04979	1.0
83.08620	3.7
85.02887	0.5
85.06503	0.4
86.09705	30.0
91.05457	3.7
93.07037	4.4
93.39590	0.4
95.04964	3.3
95.08601	2.7
97.06509	1.1
97.10155	1.2
98.98464	2.7
104.10741	7.0
105.07024	3.4
107.04960	1.4
107.08604	2.5
109.06559	0.6
109.10152	1.2
111.08097	0.6
117.07034	1.5
117.09428	0.3
119.08578	3.4
119.50574	0.3
121.06512	0.5
121.10150	2.4
123.08048	0.8
125.00002	19.9
125.09609	0.8
129.06963	0.6
131.08577	1.9
133.10136	3.0
135.08054	0.7
135.11685	1.6
143.08559	0.6
145.06482	0.5
145.10136	3.2
147.08043	0.4
147.11716	1.5
149.09610	3.2
149.13255	1.0
151.11197	0.6
153.12682	0.4
157.10077	0.5
159.08038	0.4
159.11707	1.5
161.09595	0.5
161.13242	0.5
163.11189	2.8
165.12787	0.6
167.05507	0.4
169.10121	0.4
171.11650	0.3
173.13269	0.4
175.11169	0.4
177.12726	0.6
183.11662	0.4
184.07336	100.0
185.07729	0.4
187.11285	0.4
189.11247	0.6
189.32498	0.4
193.12245	1.0
209.11710	0.4
223.13293	3.1
227.12807	0.5
239.17969	1.1
247.24284	0.7
255.55206	0.3
257.19034	1.7
265.25250	1.4
275.20062	15.3
277.21664	0.4
289.17899	2.6
293.21140	6.0
293.94229	0.3
299.06088	1.1
307.19174	0.4
339.28876	1.3
344.97571	0.4
483.30533	0.4
518.35876	1.0
536.37183	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	536.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.3
55.01866	0.6
55.05511	2.1
56.05036	0.5
57.03425	0.6
57.07084	0.3
58.06590	0.4
60.08164	6.7
67.05501	2.8
69.03427	0.3
69.07063	1.9
69.23087	0.9
70.06599	0.2
71.04987	0.2
71.07367	3.2
73.04752	0.6
79.05487	2.7
81.03426	0.4
81.07059	4.3
83.04975	0.7
83.08613	1.4
85.02907	0.6
86.09703	29.3
91.05399	1.7
93.07047	3.2
95.04968	1.5
95.08603	1.8
97.06525	0.6
97.10164	0.7
98.22723	0.4
98.98458	2.7
99.08073	0.3
104.10740	3.8
105.07039	1.7
106.51704	0.2
107.04947	0.8
107.08589	1.8
109.02833	0.2
109.06501	0.3
109.10162	0.7
111.04420	0.3
111.08042	0.3
117.07006	0.8
119.08578	1.4
120.32909	0.2
121.06480	0.4
121.10136	0.9
123.08003	0.3
123.25262	0.2
124.99998	21.2
125.09603	0.6
129.07018	0.3
131.08540	0.6
133.10114	1.5
135.08038	1.1
135.11691	1.1
143.01094	0.2
143.08575	0.4
145.10129	0.7
147.08070	0.3
147.11705	0.8
149.04456	0.2
149.09616	0.8
149.13213	1.1
153.09134	0.3
153.12729	0.4
157.10081	0.3
159.08049	0.3
159.11684	0.8
159.98744	0.2
161.09566	0.3
163.07549	0.6
163.11186	1.0
167.05518	0.5
171.11757	0.3
173.09613	0.4
173.53264	0.2
177.12735	0.7
184.07333	100.0
185.07671	0.4
187.11055	0.2
193.12224	2.3
195.13797	0.6
223.13275	0.8
227.12688	0.6
239.17937	0.3
257.18976	0.8
271.16891	0.5
275.20065	5.2
277.21646	0.3
289.17972	5.2
293.21063	1.8
299.06219	1.3
307.19113	1.0
339.28934	0.4
344.97574	0.3
415.03458	0.4
483.30722	0.5
503.11096	0.2
518.36121	1.3
536.37134	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	536.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58557	2.6
53.09497	2.5
55.05510	4.3
57.07070	10.2
67.05495	11.6
69.07081	4.9
69.21642	8.7
69.22050	4.5
73.04770	6.9
73.86042	2.3
79.05495	11.5
81.03413	5.9
81.07060	11.9
83.04993	4.9
85.10183	24.2
91.05508	10.3
93.07044	14.3
95.04986	6.7
95.08601	12.7
97.10164	3.1
105.07036	8.2
107.04961	10.2
107.08591	7.0
109.10160	4.2
111.08076	3.1
113.09639	34.5
119.08603	7.5
121.10157	4.9
129.07013	4.4
133.10129	2.9
135.11684	4.1
145.10127	2.6
147.11688	14.1
149.09612	4.4
151.11220	2.5
161.13277	3.9
163.11191	9.8
165.12744	36.1
167.05576	9.3
171.11707	4.4
173.22565	3.1
175.11229	5.6
179.14227	2.7
189.12758	4.6
207.13789	16.3
218.17497	2.6
248.55963	2.6
259.20639	2.8
277.21603	72.3
277.24518	4.7
283.03027	2.7
295.22656	100.0
295.25989	5.3
299.06058	22.4
344.54831	2.4
344.97589	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	537.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63285	0.3
53.03936	0.4
55.57526	0.2
67.05508	0.4
69.03429	1.6
69.97109	0.2
71.04954	0.4
76.44958	0.2
76.62189	0.2
79.05476	1.2
79.63860	0.2
80.05950	0.2
81.03416	4.0
81.07046	0.9
83.04947	0.2
85.02908	1.7
89.03910	3.6
91.05450	0.7
93.07011	0.7
95.04964	2.6
97.02884	1.1
99.04446	0.4
103.05472	1.6
103.66624	0.3
105.07025	0.5
107.04939	3.4
107.08549	0.3
109.02876	2.9
109.06502	0.3
109.10149	0.3
117.03385	5.2
119.08552	0.5
120.08009	0.3
121.06468	0.8
123.04426	0.7
123.08026	0.3
125.02354	1.6
125.06019	0.3
127.03896	0.9
131.04929	1.9
133.02802	0.3
135.04407	13.1
137.05963	2.9
137.09554	0.4
145.02841	10.3
145.06480	0.3
145.10146	0.3
147.04381	0.4
147.11707	0.4
149.05975	0.8
151.03879	4.4
153.01808	3.2
153.05424	1.2
161.05960	0.6
163.03889	100.0
164.04178	1.3
167.05560	0.3
167.07014	0.5
171.83377	0.2
175.14786	0.4
177.05492	1.7
181.04945	4.1
181.08545	0.6
187.07526	0.8
189.09091	0.4
195.06474	2.0
213.07579	0.4
214.67554	0.3
217.08609	0.3
219.10040	0.3
287.05487	0.3
288.05804	0.5
289.06589	1.2
299.06097	0.7
300.06290	0.3
307.08041	4.5
309.10999	0.4
325.09167	5.0
341.13730	0.4
343.04559	0.4
351.04138	0.3
357.06143	0.4
537.22260	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3037
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
64.20537	0.1
67.05524	0.2
69.76533	0.5
80.26530	0.2
81.07065	0.2
95.50876	0.2
114.15992	0.1
117.71771	0.1
128.31715	0.1
158.63943	0.2
167.05559	0.3
184.31218	0.1
185.04190	0.2
299.06177	0.4
300.06088	0.2
344.77200	0.2
488.50864	0.2
537.30322	100.0
538.23273	0.3
538.30585	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	537.304
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
50.17934	0.1
55.05502	0.1
63.10028	0.1
67.05508	0.2
67.71039	0.1
69.54947	0.1
73.04750	0.3
76.59769	0.1
81.07054	0.2
81.52145	0.1
91.05806	0.2
105.07028	0.1
105.96487	0.1
107.36565	0.1
115.03687	1.0
167.05585	0.4
168.05630	0.2
170.05539	0.1
210.40834	0.1
259.07953	0.3
299.06235	0.4
300.06146	0.4
439.31924	0.1
445.25568	0.5
510.25220	0.1
511.01379	0.1
537.30316	100.0
538.30621	3.9
538.38947	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	537.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17163	1.8
55.05511	7.0
57.03444	2.4
61.02916	2.1
67.05515	8.9
69.03426	9.4
69.07071	6.5
73.04755	4.4
73.87776	1.7
79.05491	6.2
81.03409	5.0
81.07048	13.3
83.08593	2.1
85.02899	19.6
87.04445	2.1
91.05385	2.6
91.05843	4.9
93.07052	9.9
95.08604	18.8
97.02891	8.9
97.10194	2.8
98.97581	4.9
99.04517	2.4
105.07034	8.0
107.08599	12.3
109.06509	9.3
109.10147	12.5
117.07036	2.3
119.08559	22.4
121.06500	12.6
121.10114	10.0
123.08056	29.5
123.11715	6.4
127.03915	6.0
131.08586	5.8
133.06470	2.4
133.10127	12.2
135.08075	5.2
135.11710	5.3
137.06097	2.2
137.09613	7.6
142.07765	2.0
145.04974	5.5
145.10095	6.7
147.08049	4.5
147.11739	9.4
149.04475	3.1
149.09653	2.7
157.10130	5.3
159.08086	2.6
159.11627	8.6
161.09558	9.5
161.13284	5.8
163.03862	4.6
165.09131	4.1
167.05591	7.1
168.05569	2.3
169.10272	2.3
171.11720	3.6
173.13229	5.1
174.63823	1.8
175.11151	3.0
175.14842	2.8
176.02658	2.0
179.03458	1.9
183.11740	2.5
183.65741	1.9
185.13237	2.0
187.11160	3.3
187.14722	2.0
189.12749	2.2
189.16298	9.2
197.13248	4.0
199.14888	4.4
201.12782	2.1
201.16376	3.1
203.14465	2.2
208.12035	2.6
209.13261	4.9
211.14784	3.2
213.16560	2.9
215.17902	3.2
217.15868	48.9
219.17436	5.7
225.16272	2.6
227.17950	6.6
229.15891	2.0
235.16975	16.9
237.02974	2.5
241.19456	2.4
243.17471	10.6
245.18996	3.8
251.18024	4.3
254.99113	1.8
255.17412	5.2
259.09653	2.4
261.18527	12.2
269.19031	2.7
271.80719	1.8
284.03619	1.9
299.06244	11.7
300.06305	11.1
301.06152	2.0
321.25854	8.2
329.24991	1.7
339.26764	40.4
345.15799	2.8
345.97656	3.8
357.27859	67.7
358.28180	4.3
375.28909	100.0
376.29266	5.5
416.03848	3.5
477.20117	10.4
519.33289	3.1
537.21271	2.2
537.29974	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	537.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.05517	3.3
57.03421	1.4
57.07061	0.8
58.95364	0.4
61.02929	0.9
67.05502	2.5
69.03419	4.4
69.07062	3.8
71.05000	0.8
79.05496	2.6
80.14518	0.4
81.03407	2.4
81.06637	0.4
81.07056	5.9
83.04971	0.6
83.08625	2.2
85.02408	0.7
85.02905	12.3
85.06533	0.8
87.04458	1.1
91.03996	0.4
91.05438	3.9
93.06588	0.4
93.07041	3.6
95.04971	1.0
95.08022	0.7
95.08599	9.4
97.02885	4.0
97.06513	1.2
97.10146	1.8
99.04436	1.1
103.05470	0.8
105.07029	9.8
107.04961	1.0
107.08602	6.4
109.02858	1.4
109.06496	1.2
109.10157	5.3
110.09660	0.8
111.08068	1.3
111.44092	0.4
117.06969	0.8
119.08578	14.1
120.04434	0.4
120.08083	0.8
121.06500	1.4
121.10155	5.7
122.47584	0.4
123.04420	0.4
123.08070	2.0
123.11697	2.7
127.03920	3.0
129.07002	0.8
131.04936	0.9
131.08549	2.6
133.06471	0.5
133.10130	14.6
135.08038	1.0
135.11714	3.1
137.05984	2.7
137.09596	2.6
138.09123	1.3
143.08557	1.6
144.09302	0.5
145.02873	0.6
145.04947	3.1
145.10129	4.5
147.08022	0.9
147.10564	0.9
147.11682	14.1
148.08818	0.9
149.05977	0.6
149.09604	1.2
149.13301	1.1
151.03860	0.5
151.07536	0.4
151.11148	1.2
154.44862	0.4
155.08458	0.6
157.10083	2.4
159.11714	4.1
160.12401	0.8
161.09677	2.3
161.13242	4.9
163.03909	4.3
163.07588	0.6
163.11047	0.6
163.14839	0.5
165.05481	0.6
165.09122	1.0
166.08629	1.7
167.05664	0.7
167.07030	1.9
169.10115	1.1
171.11694	2.8
172.03954	1.0
173.02377	0.5
173.09622	0.5
173.13283	3.0
175.11198	1.2
175.14822	1.7
177.12758	0.8
183.11684	1.2
185.13255	2.1
187.11179	0.6
187.14870	2.5
189.12724	0.7
189.16385	15.0
191.07137	0.7
195.11728	0.6
197.13266	1.1
199.14789	2.6
201.12762	0.6
201.16370	1.3
203.14354	1.8
203.17848	0.7
204.06555	1.2
205.16023	0.5
205.66177	0.5
209.13261	0.6
211.14804	1.3
213.16405	1.6
215.14384	0.9
215.17982	4.4
217.15894	6.4
219.17459	1.1
223.14803	0.8
225.16351	1.5
227.17888	2.7
228.18449	0.5
229.15927	1.7
229.19405	0.6
235.16930	55.2
236.17244	0.8
239.17828	0.8
241.15915	0.9
241.19498	1.2
243.17430	2.0
243.21060	1.0
245.18999	1.5
247.16920	0.8
251.17966	1.6
255.17578	1.0
255.21016	0.5
259.09628	0.7
259.16943	0.4
261.18585	2.2
265.09225	0.4
265.19626	0.5
269.18961	1.1
271.20627	0.9
273.18506	0.7
281.22644	0.6
287.20233	0.5
289.21606	1.2
293.09158	0.6
295.24228	0.6
296.25043	0.5
297.25790	1.0
299.06207	1.1
300.06201	1.2
309.11282	1.9
315.26691	0.7
321.25851	2.6
325.11758	0.7
327.12354	1.1
329.24811	4.2
330.25076	0.5
332.16861	0.5
339.26828	12.4
353.11243	0.6
357.27872	25.5
358.28204	1.2
375.28937	100.0
376.05447	0.4
376.29242	3.3
453.20911	1.0
488.17603	0.5
506.19098	2.0
537.27209	4.1
537.34082	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
55.01868	2.9
55.05524	1.4
57.03444	5.5
61.02923	1.8
67.05508	2.0
69.03427	11.2
69.07072	5.6
69.13836	7.7
69.14232	2.3
71.04988	2.2
71.08162	1.3
73.02921	3.8
73.22496	1.4
79.05504	2.5
81.03430	2.7
81.07060	5.0
83.04957	3.2
85.02905	21.0
85.06542	3.2
86.09691	2.1
87.04469	5.4
89.30280	1.4
91.05486	5.1
93.07057	5.3
94.04168	1.7
94.14462	1.2
95.04962	2.4
95.08624	3.9
97.02891	10.2
99.04458	2.7
99.08118	2.9
103.05463	6.7
105.07051	9.2
106.69994	1.5
107.04949	2.5
107.08593	5.6
109.02906	2.8
109.06520	2.7
109.10171	4.9
111.08100	2.5
111.11758	1.7
115.03937	5.9
115.05472	4.5
117.07000	1.6
119.08600	7.2
120.08085	1.6
121.10154	4.7
122.03660	4.4
123.08115	2.1
123.11729	3.3
125.09646	3.2
127.03922	3.4
127.07578	3.0
127.46556	1.3
128.06178	1.7
129.07031	5.0
131.04918	10.9
131.08546	2.8
132.05730	1.6
133.04979	4.5
133.06493	2.5
133.10132	67.6
135.08046	2.0
135.11646	2.0
137.05980	94.5
138.06346	4.2
139.11192	3.0
143.04932	7.1
145.04974	5.4
145.06403	2.0
145.10162	1.6
147.04468	1.9
147.08063	2.6
147.11716	1.9
149.13214	2.1
151.07527	2.8
153.05511	1.8
153.09143	3.7
157.06529	2.1
160.05219	9.3
161.05989	6.0
163.03925	8.4
163.06274	2.2
163.07544	13.0
163.14786	1.6
164.04247	2.9
167.07047	2.4
173.13257	9.6
174.06828	1.6
175.07545	100.0
177.16356	1.9
187.07541	25.4
189.09166	6.6
191.14232	14.0
193.08604	2.5
193.15788	1.4
195.17488	4.8
199.07489	2.8
203.08643	2.1
205.08582	15.4
207.08301	1.4
209.15384	20.5
213.18498	17.1
213.25052	1.4
217.08672	2.8
219.08035	4.8
227.16388	9.2
231.08080	3.2
233.26180	1.4
235.09645	13.1
247.07576	2.1
248.08328	2.4
251.10738	6.8
253.08693	1.5
259.07718	1.3
263.10577	2.5
270.08783	1.9
271.09763	2.3
276.07849	1.7
277.08762	1.5
279.10077	7.6
291.10251	7.8
301.06046	1.6
311.12759	17.3
323.12790	13.8
327.81033	1.5
341.13885	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	538.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.4
50.58796	0.4
51.02390	0.5
51.18278	0.4
55.01853	0.8
55.05528	0.6
55.68577	0.3
57.03428	1.5
59.15823	0.5
61.02922	0.8
64.75913	0.4
65.03928	0.4
66.61729	0.4
66.82905	0.4
67.05506	0.6
68.60072	0.4
69.03441	4.2
69.39227	0.7
69.39581	1.6
71.05001	0.6
73.02909	1.2
73.18945	0.4
79.05493	2.0
81.03420	0.6
81.07045	1.3
83.04968	0.7
85.02900	5.7
86.32711	0.5
87.04486	2.2
91.05471	3.5
93.07019	2.7
94.04189	2.4
95.04986	2.2
95.08619	0.7
97.02901	3.9
97.06525	1.1
103.05463	2.7
104.54781	0.4
105.07027	5.2
107.04941	2.5
107.08593	1.7
109.02863	0.6
109.06522	3.8
109.10155	1.1
111.08050	0.5
115.03930	2.7
115.05413	2.1
115.07551	0.6
117.07011	1.7
119.04915	1.1
119.08580	2.4
121.06470	2.2
121.10158	2.5
122.03640	4.3
123.04402	0.4
123.08099	0.5
123.11719	0.6
127.03918	0.9
129.06976	1.2
129.30266	0.4
131.04910	1.4
131.08545	1.0
132.05705	1.6
133.04977	2.4
133.06493	3.9
133.10133	2.8
135.04424	0.6
135.08008	0.6
135.11685	0.9
137.05969	100.0
138.06303	1.0
145.04967	1.3
145.06491	2.5
147.04404	1.7
147.08002	2.9
147.11684	1.5
149.05939	4.1
149.09622	1.2
151.03911	0.7
151.07556	0.9
151.11160	1.0
153.09090	1.4
155.04915	0.9
156.05710	0.5
159.08055	1.8
160.05229	1.0
161.05975	14.1
162.06776	2.0
163.03961	1.0
163.07507	1.3
163.14737	0.8
165.05518	1.2
167.07126	0.5
167.14348	0.5
169.79079	0.4
172.05057	0.5
173.05940	0.8
173.13257	1.9
175.07541	25.4
177.09117	0.9
179.07114	0.8
181.04970	0.6
185.06122	0.7
187.07549	6.8
189.07011	0.5
189.09203	0.6
190.07779	1.3
191.08519	3.7
191.14299	4.6
193.08601	5.3
199.07521	2.8
200.03889	0.4
202.07768	0.6
203.08556	1.8
205.08565	3.5
207.08015	0.8
209.08055	0.6
209.15344	8.2
217.08577	1.0
218.07272	1.0
219.08051	6.1
220.08749	1.4
227.09114	0.8
227.16385	10.8
231.08095	1.9
233.09529	0.5
236.08301	1.3
247.07491	3.4
248.08348	1.7
249.09032	0.6
251.10667	10.3
253.08618	0.6
259.07584	1.1
260.08392	0.6
263.10696	1.5
264.07776	1.0
265.08621	0.8
269.11502	0.7
276.07687	1.0
277.08533	1.0
279.10156	9.0
280.10672	0.7
281.08234	1.0
291.10129	3.9
292.10907	0.7
295.09830	0.7
296.10312	1.3
297.11066	0.5
309.11145	0.7
311.12744	24.7
312.13181	0.5
323.12756	10.3
329.13763	4.9
341.13800	8.3
359.14740	1.1
418.21933	0.4
503.18954	0.7
519.17145	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28930	0.4
53.03948	0.4
55.05505	1.0
57.03429	0.7
63.02382	0.8
67.05496	1.2
69.03425	1.1
69.07063	0.7
69.14783	2.1
69.18300	0.3
71.05002	0.5
73.02927	0.4
77.03934	0.3
79.05483	3.7
81.07046	1.5
83.04961	0.5
85.02903	2.1
89.03915	5.4
91.05467	2.0
93.07048	9.4
95.04967	2.2
95.08607	1.5
97.02860	0.5
97.06523	0.4
98.23505	0.8
105.04515	0.6
105.07035	1.7
107.04956	2.0
107.08580	2.8
109.06528	0.6
109.10179	0.9
110.09698	0.5
110.10522	0.4
111.04433	0.3
111.08070	0.6
115.03945	0.5
117.03383	8.1
119.08587	1.4
121.06491	0.4
121.10153	7.2
123.08043	0.8
123.11684	0.8
124.60152	0.3
127.03901	0.4
128.36168	0.3
131.08556	0.7
133.10115	1.6
134.10486	0.4
135.04416	15.8
135.08037	1.1
135.11760	0.4
136.04582	0.4
137.05981	0.6
138.09065	0.6
139.03900	0.4
139.11131	0.5
145.02852	13.3
145.10065	0.7
146.03201	0.6
147.11681	0.9
148.07603	0.4
149.09569	1.9
149.13266	0.5
163.03903	100.0
163.14906	0.4
164.04204	1.4
166.08644	1.2
167.10733	0.4
177.05504	2.0
178.05930	0.8
189.16388	1.2
190.16765	0.5
191.14320	0.5
204.06615	0.5
209.15381	0.8
214.13109	0.5
217.15967	0.8
218.16196	1.0
224.09068	0.5
227.16438	0.7
235.16862	2.3
236.17360	1.0
250.10844	0.4
258.07578	0.4
293.09064	0.4
301.05997	0.4
303.11249	0.5
305.13861	1.2
319.08051	0.5
325.12015	0.4
337.09186	8.7
340.27155	0.5
353.11444	0.9
357.27939	0.8
358.28067	1.9
375.28952	2.1
376.29282	4.1
377.11124	0.7
401.14282	0.4
454.77615	0.4
485.18079	7.7
506.19302	1.0
538.17004	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.04634	0.8
55.05500	1.1
57.03426	3.5
57.07079	1.1
61.02937	0.9
64.51024	1.1
69.03429	8.4
69.07066	3.2
69.16183	5.8
69.16513	0.8
71.04982	3.4
73.02901	1.2
73.49794	1.0
76.66000	0.9
79.05483	2.0
81.03426	2.6
81.07054	2.4
83.04963	3.2
83.08616	0.9
85.02903	20.0
87.04467	3.4
91.03986	1.2
91.05470	3.3
93.07027	2.4
94.04169	1.2
95.04957	1.8
95.08598	1.9
97.02883	7.1
99.04459	2.2
103.05474	2.3
105.07022	3.5
107.08579	3.3
109.02898	1.3
109.06532	2.7
109.10117	1.2
111.04426	3.0
111.11723	1.1
115.03938	3.9
115.05440	4.5
117.03362	0.9
117.06971	1.8
119.08592	2.2
121.06519	1.3
121.10162	2.3
122.03660	4.0
125.06032	1.3
125.71962	1.0
127.03860	4.5
129.05476	1.1
129.06993	3.9
131.04900	4.7
133.04971	1.9
133.06517	1.3
133.10123	2.1
135.04398	1.3
137.05971	79.8
138.06306	1.2
143.04909	8.9
145.04926	4.5
145.06535	2.0
147.04494	1.3
147.08034	1.0
147.11694	1.4
149.06047	1.6
149.09616	1.5
149.13237	1.9
149.57948	0.9
151.03983	1.3
151.07607	1.8
153.05472	1.6
157.06490	4.0
160.05193	13.2
161.05980	4.0
163.03874	5.4
163.07487	7.7
163.14816	0.9
166.08641	1.7
172.05170	1.7
173.13275	2.4
174.06810	1.4
175.07541	100.0
176.07895	1.3
177.09004	1.0
177.16393	1.5
179.07018	1.6
180.08624	2.4
181.05002	1.6
183.49380	0.9
187.07538	30.9
189.09099	7.4
191.14311	3.7
195.17422	2.5
197.08151	2.8
199.07591	1.0
201.09042	1.0
205.08580	23.8
209.15297	7.3
209.95212	0.9
213.16684	1.0
213.18491	4.5
217.08574	2.9
219.07962	2.9
227.16373	4.4
231.08191	1.6
235.09633	31.5
247.07607	1.3
248.08353	1.3
251.10736	3.2
263.10648	2.1
270.08868	1.0
271.09653	3.1
276.07715	1.1
279.10165	4.1
291.10172	6.2
308.10474	1.1
311.09747	1.1
311.12811	6.8
323.12744	8.5
341.10175	1.0
341.13876	11.0
382.48434	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85980	0.7
55.01878	1.1
55.05261	1.0
55.05513	14.9
56.26801	0.8
57.03444	5.1
57.07039	0.8
59.04992	2.2
67.05495	2.6
69.03060	1.2
69.03428	17.5
69.07060	2.5
69.35635	3.3
71.01352	0.8
71.04977	1.5
73.02913	1.7
73.04549	0.6
79.05502	2.3
81.03429	1.7
81.07057	4.0
83.04981	18.1
83.08621	11.9
85.02912	13.2
85.06559	1.6
87.04471	12.2
91.05466	1.7
91.59813	0.7
93.07034	2.7
95.04973	4.0
95.08599	3.9
97.02887	14.0
97.06531	4.1
97.10166	1.7
97.84880	0.7
99.04468	1.7
99.08081	0.7
105.07037	2.8
107.04958	0.9
107.08586	9.3
109.02856	1.1
109.06508	3.4
109.10159	9.2
111.04467	0.9
111.08057	3.7
115.03931	15.8
115.67826	0.8
119.08616	1.6
121.10155	5.0
123.08086	2.8
123.11700	3.7
125.09658	4.4
127.03910	2.2
129.29156	0.7
131.08537	2.0
133.04970	16.2
133.10124	12.0
135.08044	3.3
135.11725	0.8
137.06006	0.9
139.11194	2.5
141.45688	0.8
145.04924	2.6
147.11684	2.9
149.09630	2.7
149.13266	2.3
150.07625	2.3
151.11186	19.6
153.09082	2.0
161.13251	0.7
163.14742	1.7
167.14330	21.4
169.12152	3.7
171.10115	0.8
173.13260	3.2
175.14813	0.9
181.12233	4.8
191.14299	7.1
209.15370	100.0
210.15721	2.2
223.05945	0.9
227.16452	8.6
259.08179	1.8
295.10159	2.9
305.17538	1.0
341.19763	4.3
353.19501	1.0
360.45035	0.8
513.10358	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20585	1.9
53.28098	2.0
55.05512	12.5
57.03436	11.7
57.07071	5.0
57.39267	2.2
59.05006	3.7
67.05504	9.3
69.03120	2.5
69.03436	34.4
69.07060	4.9
69.19658	7.5
71.04999	3.6
79.05489	9.0
81.07052	18.1
83.04984	18.7
83.08638	10.9
85.02901	24.7
85.06532	3.8
87.04467	19.3
91.05478	7.3
93.07059	11.2
95.04971	16.3
95.08618	10.9
97.02887	26.2
97.06528	11.3
99.04433	5.4
105.07023	15.1
107.08609	22.4
109.06519	18.5
109.10158	34.5
111.08082	6.0
115.03931	25.5
115.07581	4.9
119.08570	10.9
121.10141	27.7
123.08089	6.8
123.11707	13.5
125.09652	4.7
127.03905	4.3
131.08563	13.8
133.04977	27.1
133.10130	39.2
135.08046	4.8
135.11717	3.3
137.13251	3.0
139.11192	4.7
145.04985	2.6
145.10089	4.1
147.11700	13.4
149.09637	4.2
149.13272	9.9
150.07625	2.4
151.11174	18.6
153.09140	10.9
158.10907	4.8
163.05980	3.2
163.14859	4.2
165.12750	4.6
167.10672	5.7
167.14342	19.2
169.12242	2.5
173.13257	27.2
174.38602	2.3
175.14822	7.4
181.12148	2.6
191.14307	28.4
209.15366	100.0
227.16446	26.6
232.60808	2.0
341.19379	2.7
393.58347	2.5
532.54187	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	538.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14760	1.3
53.87576	1.7
55.05509	4.3
57.03426	4.3
61.02944	2.4
67.05534	1.6
69.03432	14.7
69.07056	1.9
69.73241	5.0
73.02917	9.9
79.05491	5.2
81.03413	3.0
81.07067	3.1
83.04990	10.8
83.08624	2.3
85.02893	14.5
87.04503	2.2
91.05490	3.9
93.07057	6.7
95.04984	4.3
95.08614	4.6
97.02895	12.0
97.06542	3.2
97.10158	1.9
99.04453	2.1
104.25407	1.4
105.07044	3.8
107.04964	6.8
107.07853	2.1
107.08587	37.8
109.02892	2.3
109.06538	4.6
109.10170	4.6
111.04451	2.3
111.08092	5.4
115.03914	12.0
119.08580	4.4
121.06485	1.7
121.10139	13.8
125.09685	2.7
127.03941	4.6
127.07539	2.6
131.08554	3.7
133.04990	8.0
133.10129	15.1
135.08081	4.4
135.11702	3.5
137.06003	2.0
137.09633	6.4
139.03912	8.0
145.04945	7.2
145.10126	2.1
147.11702	4.1
149.09663	7.0
149.13258	3.9
151.11192	6.4
153.09137	8.3
163.03909	11.0
163.14864	3.4
165.05479	3.6
167.10794	1.9
173.13293	9.3
177.13744	1.7
181.04977	4.8
191.14313	100.0
209.08128	1.8
209.15373	47.5
227.09134	3.2
227.16492	10.6
235.61824	1.6
259.08112	3.0
277.09302	1.5
295.10367	2.0
323.18539	2.9
510.80798	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01871	1.4
56.76359	1.4
57.03430	4.4
57.37224	1.3
65.03952	2.8
67.05505	7.9
69.03438	14.9
69.07063	4.5
70.06580	3.3
73.02926	1.7
73.04768	1.5
79.05501	15.1
79.84483	1.3
80.05024	1.8
81.03431	3.3
81.05784	1.5
81.07059	13.4
82.06580	3.6
83.05002	1.6
85.02914	13.1
85.06534	12.4
86.09720	2.1
87.04464	8.0
89.03916	1.7
91.05508	6.4
93.07045	20.9
94.06573	14.5
95.04961	4.6
95.07355	10.1
95.08611	9.6
96.08143	27.4
97.02893	13.9
97.06532	6.4
97.10159	1.6
99.04519	2.3
99.08102	1.7
103.05456	2.3
105.07030	4.6
107.04987	2.9
107.08599	24.1
108.08132	20.1
109.06541	3.0
109.10179	5.4
110.09681	36.4
110.10431	2.1
111.04451	6.1
111.08088	3.3
115.03944	9.3
116.04978	4.7
117.41405	1.6
118.06590	1.6
119.08611	4.4
120.04459	5.3
120.08111	25.9
120.08907	2.6
121.06539	2.3
121.10130	8.8
122.06065	4.2
123.06832	2.0
123.11739	5.7
124.07596	7.1
125.05992	40.1
125.09620	4.3
127.03944	5.1
131.04929	2.3
133.02824	1.9
133.04953	11.4
133.06477	2.0
133.10146	2.6
134.05998	2.4
135.04396	2.4
135.08028	7.5
135.11710	3.2
136.07578	11.0
137.05983	5.2
138.05510	6.1
138.08078	2.7
138.09148	50.6
139.07553	6.2
144.04420	7.3
145.02835	1.6
145.04906	3.4
146.06001	8.6
147.04420	1.7
148.07602	9.7
149.09659	1.5
149.13292	2.9
151.07558	1.8
151.11215	1.8
152.07098	2.3
153.09096	15.7
160.03937	2.3
162.05545	3.2
163.03949	5.3
163.14841	13.0
166.05025	7.3
166.08644	98.6
167.08842	1.8
167.10735	2.2
172.03937	42.0
173.13257	3.5
178.08722	2.2
181.04996	8.2
181.96848	1.4
184.09969	1.9
190.04999	18.4
191.12747	2.3
191.14317	18.6
192.06606	1.8
195.09238	1.7
196.09860	3.4
197.08157	4.3
197.10817	1.9
204.06573	14.6
209.15367	100.0
210.11385	1.5
212.09503	4.6
213.10205	1.5
218.22682	1.5
222.11572	2.3
223.08597	2.4
224.09474	5.4
225.10280	5.7
226.04475	1.5
227.11804	2.8
227.16423	61.8
235.08714	2.1
236.09546	2.8
237.10236	21.1
238.10939	6.2
239.08234	3.5
239.11859	5.4
241.09756	5.2
245.12665	2.5
247.14586	2.5
249.10262	4.1
250.07373	2.7
251.08168	3.1
251.11819	8.1
252.08800	2.4
253.09811	8.7
255.11227	3.5
262.10858	1.7
265.09738	27.4
266.10562	5.4
267.11319	5.4
271.10812	4.0
273.12341	6.7
278.06528	9.0
279.11298	10.3
280.08463	2.6
281.09204	3.8
281.12860	3.6
283.10730	7.3
285.12289	1.9
293.09207	25.3
294.09854	5.9
295.10535	2.8
297.12384	8.7
299.06256	1.9
299.10339	2.6
299.13898	1.9
300.11185	1.5
301.05884	2.5
307.10828	5.5
309.12344	5.6
311.10361	3.8
312.11075	4.6
313.11816	6.6
323.25769	1.9
325.11841	22.1
335.10162	10.2
340.10510	3.0
341.11185	31.6
344.97757	1.6
353.11337	26.7
354.11618	1.8
357.14508	4.6
373.14178	11.1
373.40015	1.6
379.18500	1.7
385.13922	7.4
437.19266	2.4
460.18588	6.0
465.19122	12.1
478.19833	13.6
488.18118	13.1
506.19260	80.2
507.19260	4.6
520.20752	1.7
538.21838	6.5
538.28925	2.2
539.28503	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	538.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40461	2.8
53.03945	4.9
55.01877	4.0
55.05517	25.4
57.07101	3.9
60.08151	5.5
67.05505	43.9
69.07059	22.5
71.04996	5.8
77.80214	3.2
79.05494	64.9
80.05013	4.9
81.03410	18.7
81.07060	47.7
81.87074	3.6
83.04990	10.6
83.08624	16.6
85.06573	4.1
86.09708	21.3
91.05444	40.1
93.07040	78.7
95.04981	18.9
95.08601	25.2
97.06524	8.3
97.10165	8.6
98.23499	7.9
105.04536	3.9
105.07037	29.4
106.06548	5.6
107.04978	8.8
107.08601	35.7
109.06523	13.2
109.10139	18.6
111.04413	4.7
117.07029	9.5
119.08596	23.0
121.10138	37.8
123.08063	5.4
125.00024	14.9
125.09640	3.3
129.06961	6.6
131.08571	9.6
133.10135	28.5
135.11685	34.9
136.38943	3.8
137.09627	5.8
143.08582	4.5
145.10146	10.6
147.11705	10.9
147.32048	3.2
149.09703	10.4
149.13264	16.5
157.10110	6.3
159.11708	12.1
161.13245	4.2
163.11195	6.6
163.14874	3.5
167.05565	4.9
171.11781	5.7
173.13255	6.3
175.11224	5.4
181.12202	3.5
184.07338	95.3
188.92513	5.0
193.12289	11.1
195.13748	3.5
204.04218	12.9
207.13857	3.4
211.13280	24.7
213.16286	4.0
214.94017	3.3
223.13290	4.7
224.13737	3.3
227.12749	14.3
235.16928	3.9
239.17914	5.2
244.95140	5.6
257.19031	7.8
259.20569	4.8
273.18573	5.1
275.20023	58.5
277.21643	100.0
291.19440	7.2
293.21106	28.2
300.06256	3.8
301.06003	7.3
467.31656	4.2
538.36908	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	538.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.6
53.03946	5.3
55.01876	7.3
55.05510	30.5
57.03432	5.2
59.04984	2.0
65.03956	3.8
67.05507	44.9
67.11615	1.8
69.03434	6.2
69.07072	16.0
69.22673	9.7
71.04993	4.3
78.21307	1.9
79.05493	52.7
81.03415	33.3
81.07056	100.0
83.04991	13.5
83.08619	30.1
85.02930	3.7
85.06544	2.7
91.05463	42.7
93.07043	37.8
95.04968	29.9
95.08610	23.3
97.02906	2.9
97.06519	7.4
97.10175	14.6
98.22651	3.3
99.08064	2.5
102.09230	2.9
105.07026	29.4
107.04953	16.9
107.08597	29.3
109.06508	29.3
109.10172	12.7
111.04440	4.1
111.08083	14.6
115.05434	2.9
117.07014	11.8
117.69972	1.9
117.92176	1.8
119.08582	38.7
121.06506	8.8
121.10140	22.4
123.08052	11.8
123.11732	5.1
125.09622	11.4
129.07022	12.6
131.08585	22.1
133.06471	3.0
133.10136	23.9
135.08063	6.9
135.11702	8.7
137.09612	7.2
143.08525	5.1
145.10121	18.4
147.08015	9.9
147.11670	18.8
149.09639	14.0
149.13258	8.5
151.11159	3.9
153.09082	3.0
155.08565	3.6
157.10094	10.8
159.11693	11.4
161.09656	6.7
161.13336	2.4
163.11223	13.2
163.14790	3.3
165.09137	4.6
165.12805	4.3
168.05548	2.2
169.10118	2.3
171.11638	3.3
173.09680	3.6
173.13252	2.9
175.11179	12.5
177.12759	2.9
181.12276	3.7
183.11673	2.6
187.11191	2.9
189.11252	6.9
189.12805	3.0
191.10733	5.9
191.14323	3.1
193.12233	30.1
195.13800	4.3
204.04276	2.5
211.13278	55.7
223.13329	4.9
227.12779	3.9
227.17914	2.4
229.19548	3.0
239.18019	3.0
245.18964	3.0
247.20587	4.6
257.19086	7.6
273.18491	22.8
275.17032	3.9
275.20074	80.6
277.21680	7.8
285.02808	1.9
291.16229	4.2
291.19531	89.4
293.21066	33.6
301.05927	4.2
309.20566	6.3
321.22046	1.9
339.56418	1.8
343.08008	1.8
424.30905	2.7
449.30655	4.5
455.78229	2.0
467.31595	6.8
485.32532	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	538.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01867	4.6
55.05256	1.8
55.05510	21.9
57.03426	1.1
65.03922	1.5
67.05503	22.7
69.03418	2.0
69.07066	8.9
69.77803	3.5
71.01341	0.9
71.04990	2.0
79.05492	20.9
81.03419	11.8
81.07057	21.9
83.04981	6.9
83.08620	22.1
84.15096	0.9
85.02907	1.7
91.05474	27.4
93.07041	22.5
95.04967	24.0
95.05424	0.6
95.08607	14.0
97.06519	4.7
97.10170	6.7
97.36304	0.9
105.07026	23.3
107.04943	10.9
107.08593	12.9
109.06506	4.1
109.10168	6.9
111.08097	6.2
117.07018	7.9
119.08578	21.8
121.06493	4.8
121.10132	10.9
123.08064	3.1
123.11681	1.6
125.09642	4.3
129.07014	3.7
131.08554	13.7
133.06425	1.6
133.10120	19.6
135.08057	4.5
135.11696	6.6
137.09610	3.3
137.13281	1.0
139.11174	1.5
141.85016	0.9
142.07767	1.0
143.08556	2.2
145.06525	1.8
145.10118	18.4
147.08072	1.6
147.11668	10.2
149.09608	19.9
151.11176	3.3
153.09024	1.0
155.08572	3.1
157.10197	4.7
159.11705	7.7
161.09651	1.6
161.13263	2.9
163.11180	23.8
165.12778	2.6
169.10133	3.0
171.11693	2.9
173.09602	3.5
173.13290	2.7
175.11195	3.5
175.14830	1.1
177.12733	1.8
179.10765	1.1
183.11678	3.1
185.13205	1.3
187.11166	2.3
189.11208	4.2
189.12738	2.0
191.10658	2.2
193.12253	8.7
197.13155	2.0
201.12752	1.7
205.12143	1.3
211.13266	20.7
211.15082	2.0
215.17989	0.9
223.13289	18.1
229.19498	3.0
239.17935	7.9
247.20467	2.2
257.18970	15.0
275.20065	100.0
276.20410	2.9
280.23825	1.0
291.19501	2.2
293.21097	50.4
299.06241	1.2
301.06027	1.1
304.97626	0.9
492.05206	1.3
539.31726	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	538.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.05508	12.9
55.95546	1.2
57.07077	2.4
67.05502	20.7
69.07059	12.2
69.70025	2.3
69.70381	4.9
71.04988	2.8
77.03917	2.0
79.05494	43.7
81.07053	23.4
83.04961	1.2
83.08624	7.6
85.06566	1.7
86.09700	1.3
91.05475	19.3
93.07043	67.6
95.04934	6.1
95.08607	17.9
97.06515	2.9
97.10172	2.9
105.04533	2.1
105.07034	13.7
107.08591	29.8
109.06600	1.3
109.10153	9.5
111.04433	1.7
111.08093	1.7
117.06991	3.8
119.08572	11.3
121.10146	33.4
123.08064	2.2
123.11689	3.2
129.06953	2.3
131.08553	3.4
133.10117	10.8
135.08078	1.5
135.11687	30.8
145.10092	3.8
147.11688	5.0
149.13239	14.9
159.11664	4.2
161.13232	2.6
163.14851	4.5
173.13289	2.1
175.14836	3.1
181.12216	3.5
184.07343	5.7
191.10728	1.5
207.13777	2.0
209.11752	2.3
213.16353	2.2
221.15324	2.6
227.12796	11.5
235.17000	2.2
241.19539	1.8
250.71690	1.2
259.20721	4.3
275.20139	1.5
277.21613	100.0
318.09363	1.4
395.78311	1.2
544.94263	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.6
55.05522	12.2
57.03453	2.3
57.07078	56.2
67.05508	20.4
69.03427	9.5
69.07069	21.2
69.61722	4.2
69.62120	4.5
71.04977	2.5
71.08273	3.4
71.08636	48.9
79.05485	5.8
81.03406	7.1
81.07057	31.8
83.08626	16.9
85.02914	19.1
85.10183	30.0
86.09714	8.9
93.07043	3.4
95.08607	50.6
97.02894	51.5
97.10183	18.5
99.04458	6.5
99.11732	2.3
104.10748	5.5
109.02890	5.1
109.10169	24.0
111.11725	9.8
116.29117	2.6
121.10125	4.1
123.11731	9.4
125.00014	4.2
127.03901	18.9
137.13266	6.6
145.04941	11.7
151.14828	2.9
166.98157	2.1
167.05634	3.2
167.10741	2.7
184.07343	38.3
186.28598	2.2
223.88766	2.2
245.86136	2.9
249.25873	3.8
267.26843	100.0
277.21667	4.7
285.27875	4.8
290.43216	2.3
299.05920	2.2
301.05502	2.4
351.29034	3.0
408.89548	2.3
411.31161	36.0
429.32086	49.1
538.37128	3.2
539.33527	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	539.0974
Annotation	Amentoflavone
Peak:m/z	Relative Intensity
55.05519	0.2
65.03935	0.3
67.01863	0.7
68.99786	0.9
69.90890	0.5
69.91229	0.3
81.07056	0.3
82.77864	0.2
89.77126	0.2
91.05468	0.3
104.70747	0.2
104.99312	0.3
107.08553	0.2
119.04952	0.8
121.02045	0.4
121.02871	4.6
131.04906	0.5
145.02827	1.7
150.60791	0.2
153.01825	6.0
163.03912	0.7
171.02933	0.4
171.04326	0.4
183.04480	0.4
185.02422	0.3
195.04453	0.4
197.05997	0.4
199.03947	0.3
209.13272	0.3
213.05479	0.4
225.05470	1.0
227.03424	0.3
242.05751	0.8
251.03375	0.6
255.06514	2.6
263.07230	0.3
269.04504	0.7
270.05261	1.2
279.06656	0.8
283.05991	5.3
295.06070	0.5
305.04495	0.8
307.05997	4.5
308.06705	0.7
311.05518	1.4
319.06021	2.4
320.06613	0.3
321.07504	1.9
323.05420	0.4
331.05988	1.0
332.06714	0.4
333.04138	0.3
333.07504	1.1
335.05502	6.9
337.03314	0.6
345.07590	1.8
347.05460	4.8
349.06998	0.6
355.04507	0.3
359.05515	1.2
361.03485	0.5
361.76379	0.3
375.05048	0.6
376.05789	0.7
377.06516	10.9
379.04486	0.3
387.08673	2.6
403.04477	9.9
404.04727	0.3
418.06693	0.3
419.07880	0.7
420.35876	0.3
421.05475	1.7
431.07785	0.3
495.11102	0.4
497.08630	2.8
525.07648	0.3
539.09717	100.0
540.10046	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	539.0978
Annotation	Amentoflavone
Peak:m/z	Relative Intensity
55.05524	0.6
56.98199	0.2
65.03944	0.8
67.05506	0.6
68.99805	1.0
69.56403	0.6
79.05498	0.2
81.07066	1.0
83.04995	0.2
83.08635	0.6
85.02921	0.9
90.36098	0.2
91.05479	0.7
95.08607	1.0
97.10162	0.2
98.22745	0.4
100.11264	0.5
109.10180	1.1
111.04507	0.5
119.04938	2.0
121.02868	13.0
121.03938	0.7
121.10131	0.3
123.11701	1.0
124.88121	0.2
135.04407	0.6
137.13249	0.6
145.02864	1.6
147.04440	0.5
149.13306	0.4
151.07559	0.2
163.03903	5.5
174.45859	0.2
179.17958	0.7
181.04936	1.8
184.07285	0.5
189.01866	1.7
203.03432	0.5
210.14816	0.3
213.05470	0.3
217.01393	0.7
229.01358	0.7
231.02890	0.4
233.77962	0.2
241.05051	0.3
242.05650	0.5
253.05090	0.3
257.00879	0.7
259.02451	0.7
261.06329	0.2
265.05048	0.3
265.87238	0.2
269.04581	0.8
270.05270	0.9
271.06110	0.4
279.06567	1.1
283.02701	0.5
283.05981	5.5
285.00272	2.4
293.08105	0.3
294.05417	0.3
295.06039	1.4
295.09106	0.2
305.04510	0.3
305.08368	0.3
307.05978	12.0
308.06625	1.0
309.04044	0.4
309.07553	0.3
311.05573	0.9
319.06003	3.5
321.07437	2.0
331.05878	0.4
332.06821	0.7
333.03870	0.5
333.07605	0.6
335.05499	16.5
336.05795	0.5
337.03412	0.6
347.05545	1.8
349.07166	0.9
359.05527	0.8
375.04950	0.6
376.05991	0.6
377.06580	8.0
377.11398	0.4
379.04572	0.8
399.08786	0.3
401.06525	0.5
403.04431	4.5
403.09250	0.3
411.08841	0.3
418.06903	0.8
419.07657	1.8
421.05551	2.7
425.10013	0.3
441.09833	1.2
453.09720	1.3
455.07617	0.7
469.09122	0.4
495.10931	0.4
497.08786	2.7
538.39484	0.8
539.09723	100.0
540.09943	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	539.1762
Annotation	Alboside IV
Peak:m/z	Relative Intensity
50.09887	0.8
53.03938	1.6
67.05504	1.4
69.03403	1.9
70.82138	0.7
71.04991	2.7
77.03901	0.8
77.29068	0.6
79.05491	4.6
80.75960	0.6
81.03412	1.7
81.07061	4.4
83.04965	1.1
85.02885	2.6
89.03906	6.9
91.05478	1.8
93.07040	2.4
95.04980	5.8
95.08618	4.4
97.02896	5.5
99.04462	1.8
103.05480	0.9
105.07001	4.5
107.04944	2.8
107.08553	1.7
109.02850	1.8
109.06495	4.2
111.04462	1.2
111.08077	14.1
117.03400	8.0
121.10116	0.8
123.04432	1.3
123.08056	2.9
127.03912	72.3
133.06476	3.3
133.10124	1.0
135.04411	14.6
135.11676	2.1
137.05959	2.8
138.09151	0.8
142.12254	0.9
145.02850	10.6
151.03905	2.9
151.07530	4.9
153.05478	1.6
161.05927	1.6
163.03900	66.8
166.08696	1.7
169.08630	0.7
175.07584	2.1
176.07901	1.6
179.07030	17.7
179.08600	1.1
181.04926	2.2
187.07520	0.8
197.08087	100.0
198.08388	1.2
209.15407	0.9
270.97940	0.7
274.88443	0.6
325.08936	0.8
507.19305	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2704
Annotation	Alangionoside O
Peak:m/z	Relative Intensity
55.01878	1.3
55.05510	18.9
57.03439	6.0
57.07085	2.1
59.05007	2.6
61.02916	1.7
62.29709	1.1
65.03963	1.3
67.05508	5.0
69.03435	12.7
69.07067	6.7
69.11649	8.7
71.04984	2.4
73.02909	10.1
75.29921	1.3
79.05497	4.8
81.07063	7.5
83.04979	12.4
83.08619	13.8
85.02909	16.8
85.06530	2.2
87.04469	1.5
91.05489	4.5
93.07037	15.0
95.04965	22.9
95.08614	6.0
97.02892	15.8
97.06538	4.4
97.10180	3.8
98.23450	2.0
99.04477	7.4
99.08073	2.1
105.07034	7.1
107.08597	24.7
109.02898	2.1
109.06509	6.5
109.10146	12.3
111.08080	4.7
113.06034	1.5
115.03945	5.0
115.07587	6.0
119.08575	8.7
120.08945	2.0
121.06479	2.1
121.10138	51.3
121.10988	2.9
122.10493	4.5
123.08054	1.7
123.11694	3.2
125.09647	4.6
127.03963	5.4
131.04974	1.9
131.08589	6.1
133.04944	7.2
133.10132	17.5
134.10443	3.3
135.08041	3.1
135.11681	2.8
137.05983	5.8
145.04962	6.0
145.10121	3.1
147.11693	4.7
149.13243	3.7
151.07622	1.6
151.11179	19.2
153.09082	9.6
158.10959	2.1
162.74969	1.3
163.03909	3.1
163.06070	1.4
163.14853	11.7
167.14313	23.0
173.13280	10.9
174.13606	5.3
175.14784	3.9
176.15115	2.3
179.07088	1.7
191.14316	17.5
192.14684	6.0
209.15356	100.0
210.15697	3.5
227.14561	1.5
227.16394	7.6
259.08194	1.7
287.16412	2.0
305.17511	2.6
321.75211	1.8
326.29926	1.4
333.22906	1.3
375.89648	1.3
386.07132	1.3
522.27527	1.3
539.13275	6.1
539.21069	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
55.05509	4.6
57.03435	0.8
57.07068	3.3
62.93938	0.6
67.05501	7.2
69.03418	2.5
69.07071	3.5
69.20370	4.1
73.45680	0.6
73.54585	0.6
73.80778	0.7
79.05489	2.3
81.03427	1.5
81.07052	19.6
83.08621	5.4
85.02903	12.1
86.09726	0.8
89.03912	3.8
91.03945	0.7
91.05457	0.8
93.07060	0.9
93.84457	0.7
95.04938	1.1
95.08601	21.7
95.09216	1.1
97.02898	3.3
97.10150	5.2
101.11677	0.7
107.04938	2.5
109.02859	1.8
109.10151	23.3
115.11184	1.0
117.03374	4.3
119.04910	1.0
121.02847	2.1
123.04446	1.6
123.11700	27.3
124.87591	0.6
127.03923	3.6
135.04405	12.5
137.13239	10.5
139.14763	0.7
145.02840	12.5
145.04890	4.0
151.07582	1.1
162.74046	0.7
163.03894	100.0
164.04227	1.0
165.05396	0.7
177.16373	1.4
179.17934	20.1
181.04944	55.8
184.07301	3.1
185.07698	1.0
197.19009	10.0
272.55667	0.8
307.05936	1.6
319.06006	0.9
325.09164	2.3
335.05563	3.2
355.53961	0.7
377.06174	0.8
480.96442	0.7
539.09753	21.4
539.28662	4.3
539.41144	1.6
540.09967	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
55.05509	4.6
57.03435	0.8
57.07068	3.3
62.93938	0.6
67.05501	7.2
69.03418	2.5
69.07071	3.5
69.20370	4.1
73.45680	0.6
73.54585	0.6
73.80778	0.7
79.05489	2.3
81.03427	1.5
81.07052	19.6
83.08621	5.4
85.02903	12.1
86.09726	0.8
89.03912	3.8
91.03945	0.7
91.05457	0.8
93.07060	0.9
93.84457	0.7
95.04938	1.1
95.08601	21.7
95.09216	1.1
97.02898	3.3
97.10150	5.2
101.11677	0.7
107.04938	2.5
109.02859	1.8
109.10151	23.3
115.11184	1.0
117.03374	4.3
119.04910	1.0
121.02847	2.1
123.04446	1.6
123.11700	27.3
124.87591	0.6
127.03923	3.6
135.04405	12.5
137.13239	10.5
139.14763	0.7
145.02840	12.5
145.04890	4.0
151.07582	1.1
162.74046	0.7
163.03894	100.0
164.04227	1.0
165.05396	0.7
177.16373	1.4
179.17934	20.1
181.04944	55.8
184.07301	3.1
185.07698	1.0
197.19009	10.0
272.55667	0.8
307.05936	1.6
319.06006	0.9
325.09164	2.3
335.05563	3.2
355.53961	0.7
377.06174	0.8
480.96442	0.7
539.09753	21.4
539.28662	4.3
539.41144	1.6
540.09967	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24389	0.3
56.80893	0.2
63.26583	0.3
67.05511	0.3
69.07062	0.4
81.07053	0.5
91.05469	0.5
93.07048	0.5
95.08620	0.4
105.07050	0.4
107.08577	0.3
108.80392	0.2
111.04553	0.3
119.08601	0.3
133.10152	0.3
145.10185	0.3
185.04218	0.5
203.05318	1.1
259.08035	0.6
272.40228	0.3
359.79321	0.3
479.31653	0.4
539.31952	100.0
540.32062	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	539.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79942	0.6
55.05511	2.7
55.12134	0.8
57.40268	0.7
67.05507	3.2
69.07061	1.0
71.45200	0.8
79.05484	1.5
81.07053	3.0
83.08606	1.6
86.80223	0.7
91.05489	2.7
92.05769	0.7
93.07048	1.7
95.04980	2.2
95.08613	1.6
97.10137	1.2
105.07015	1.7
107.08598	1.0
117.07011	1.0
119.08609	1.4
121.10142	1.7
124.11997	0.7
133.10112	1.6
135.11734	1.2
137.09659	0.9
145.10165	1.4
147.11693	0.8
148.68109	0.7
163.11214	1.1
173.78738	0.7
224.13629	0.9
275.20126	2.9
276.20496	2.1
291.19315	0.8
293.21002	1.4
294.21426	2.0
539.31915	100.0
540.32343	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	539.3194
Annotation	Dysinosin D
Peak:m/z	Relative Intensity
51.70903	0.2
53.70277	0.2
53.84005	0.2
57.27224	0.2
57.28755	0.2
59.99031	0.2
69.00653	0.2
69.20719	1.2
76.29103	0.2
77.42892	0.2
79.05462	0.2
85.33171	0.2
91.58631	0.2
93.07040	0.3
115.03647	0.9
116.02802	0.2
136.77426	0.2
159.11604	0.2
172.48923	0.2
190.39490	0.2
259.07895	0.5
317.17990	0.2
400.14047	0.2
447.27008	0.4
539.31873	100.0
540.32312	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	539.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.3
57.02957	0.3
60.39782	0.2
67.05492	0.5
69.07073	0.3
69.24287	1.5
76.80981	0.2
81.07049	0.7
91.05491	0.4
93.07056	0.5
95.08618	0.4
97.07689	0.2
101.42789	0.2
102.28575	0.2
105.07003	0.4
107.08566	0.3
109.10125	0.3
119.08639	0.3
120.11522	0.3
134.98170	0.3
135.11674	0.4
140.98409	0.3
184.07288	0.2
247.13051	1.0
315.19443	1.4
322.56152	0.3
359.61664	0.2
381.82385	0.3
393.69330	0.2
427.28314	0.6
467.30222	0.3
539.33398	100.0
540.33728	4.7
540.53375	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.6
53.03935	0.8
55.01876	1.6
55.05511	0.5
57.03436	3.5
59.04997	0.3
60.81706	0.3
61.02925	2.0
65.03920	0.6
67.05499	1.0
69.03064	0.3
69.03430	5.2
69.07069	1.2
71.01347	0.5
71.04991	0.5
73.02916	11.1
77.03904	0.7
79.05492	4.7
81.03403	1.0
81.07048	3.5
85.02899	9.8
85.40075	0.3
87.04468	0.8
91.05476	28.4
92.05825	0.3
93.07028	1.5
95.04958	2.8
95.08587	1.5
97.02892	8.7
97.06521	0.5
98.23505	0.9
99.04432	0.6
103.03925	0.3
103.05487	0.4
105.04527	1.3
105.07040	0.8
106.96143	0.3
107.04950	100.0
107.08580	1.2
108.05286	0.8
109.02874	0.8
109.06499	0.6
109.10155	1.2
111.08066	0.8
115.03930	4.1
117.07052	0.4
119.04931	1.3
119.08565	0.4
121.06507	3.3
121.10173	0.6
122.13805	0.3
123.04430	0.3
123.11716	1.0
127.03902	3.1
128.62135	0.3
131.04955	2.4
131.81374	0.3
132.06458	0.3
133.04958	4.4
133.06519	0.7
133.10100	0.7
135.08057	0.3
135.11710	0.4
137.05992	0.6
137.09663	0.3
137.13260	0.4
139.11177	0.4
145.04958	3.6
145.06467	1.3
147.04416	0.4
147.08052	0.8
149.05971	2.2
149.13223	0.4
151.11169	1.3
159.62941	0.3
160.12227	0.3
161.06001	1.2
163.03903	0.9
163.06029	1.3
163.07440	0.5
165.09178	0.3
165.12700	0.3
167.07007	0.3
173.05984	2.2
175.07494	0.6
179.03386	0.7
191.07037	2.4
193.15840	0.3
203.06955	1.4
209.08054	0.4
221.08118	1.6
223.05887	0.7
228.03313	0.3
229.08632	3.6
239.09045	0.4
241.06985	0.7
256.91238	0.3
257.38123	0.3
259.09937	0.4
289.25250	1.7
307.26315	3.2
325.27316	0.3
394.27002	0.3
540.28778	1.6
541.29950	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
51.51818	0.2
53.03941	0.5
55.01864	0.7
55.05500	0.3
55.88850	0.2
57.03437	1.9
59.04993	0.4
61.02917	0.5
65.03924	0.5
67.05486	0.6
69.03063	0.4
69.03427	7.5
69.07055	0.4
69.08631	1.6
71.04990	0.3
73.02906	0.5
75.04454	0.2
77.03925	0.8
79.05496	4.2
81.07045	0.7
85.02905	4.5
87.04465	4.4
91.03939	0.6
91.05479	23.4
93.07039	0.9
95.04969	2.5
95.08606	0.7
97.02891	6.1
97.10185	0.2
98.06083	0.3
99.04474	0.3
103.03962	1.1
103.29090	0.2
105.04527	0.9
105.07011	0.6
107.04951	100.0
108.05300	1.0
109.06496	0.4
109.10159	0.5
115.03925	6.2
117.07025	0.6
119.04939	1.3
119.08561	0.3
120.08125	0.6
121.06490	1.9
123.04446	1.0
123.11695	0.3
127.03915	0.5
131.04926	5.6
133.04961	6.1
133.06525	0.7
135.04425	0.3
135.08031	0.3
137.05969	0.6
145.04988	1.4
145.06453	1.1
147.04398	0.4
147.08078	0.3
149.05962	1.4
150.07602	0.5
151.03908	0.4
153.01816	0.4
157.06482	0.5
161.06003	0.8
163.03915	0.7
163.07507	0.4
169.05061	0.3
173.05991	3.4
175.07527	0.3
175.14970	0.3
191.07019	3.8
203.07100	0.4
211.16943	0.3
229.08640	1.4
239.09164	0.6
345.31332	0.3
349.23718	0.2
389.10068	0.5
392.18149	0.5
540.29352	2.0
541.11176	0.9
541.29889	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
57.03440	2.9
60.04525	0.5
61.02925	0.9
67.05495	0.8
69.03426	9.5
69.07095	0.4
73.02901	1.6
77.03939	0.4
77.82630	0.4
79.05489	1.9
81.07050	3.7
85.02901	6.6
87.04474	4.7
89.03902	2.5
91.05480	20.4
93.07055	0.6
95.04967	2.2
95.08629	0.8
97.02898	8.2
98.23428	1.3
105.04528	0.5
105.07031	0.8
105.72445	0.4
107.04951	100.0
108.05330	1.0
115.03926	8.6
117.03373	2.7
117.07081	0.5
121.06492	2.0
123.11710	1.5
127.03909	1.0
133.04964	9.7
133.05997	0.6
133.06448	0.8
135.04414	6.3
137.06029	0.4
145.02866	4.8
145.04956	1.3
145.06404	0.7
149.06013	1.5
150.07597	2.4
163.03899	43.8
169.12244	0.7
175.07570	0.6
191.06992	0.9
221.08054	0.9
229.08606	8.2
234.94487	0.5
239.09166	1.4
251.09155	0.5
259.08154	0.5
356.59695	0.5
380.31622	0.5
505.20685	6.3
540.28131	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.3
63.51991	1.2
65.03914	1.8
67.05494	2.0
69.03426	3.8
69.07068	1.3
70.06590	3.3
71.04990	1.3
79.05477	1.8
81.03426	2.7
81.07053	4.5
81.98835	1.0
85.02903	6.1
85.06554	1.9
88.84305	1.3
88.92310	1.4
91.05486	9.2
93.07059	1.9
94.04183	1.4
95.04961	4.5
95.08609	3.2
97.02906	3.0
97.06582	1.2
103.05457	8.6
105.07011	3.6
107.04939	4.0
107.08607	3.3
109.06485	2.1
109.10132	3.2
111.04382	1.2
115.05459	1.2
117.06996	3.3
119.04948	6.8
121.06504	2.8
121.10146	2.0
122.03688	3.0
123.08074	2.5
123.11707	1.9
125.05968	1.4
125.09569	1.8
127.03903	2.1
128.06180	2.0
129.07005	2.9
130.06468	1.0
131.04919	17.4
132.46176	1.0
133.04901	1.4
133.06468	2.4
135.04398	2.1
135.08060	2.5
135.11717	1.3
136.05165	1.4
136.06187	1.6
137.05974	52.3
137.09622	1.6
138.06323	1.9
138.09119	1.1
139.11169	1.2
145.04974	1.5
145.06464	3.2
147.04391	11.0
149.05986	6.9
151.03911	3.0
151.07536	43.0
152.07922	2.2
157.06461	4.1
161.05971	8.0
162.06735	2.1
163.03920	9.1
163.07539	50.0
165.05473	1.6
165.06950	1.9
165.09145	3.3
167.07101	2.2
167.08588	1.8
170.47447	1.2
171.08015	1.4
174.06779	2.5
175.07573	4.6
177.09106	100.0
180.86934	1.4
181.04964	2.2
181.08582	1.4
189.09091	13.5
193.06392	1.3
193.10135	1.4
193.15808	1.9
195.08087	6.5
195.10054	1.7
197.05894	1.7
197.08069	1.2
209.09686	2.0
211.16963	4.6
212.08240	1.4
213.05261	1.0
219.08052	1.3
221.05923	2.4
221.09726	1.7
221.11690	16.8
223.07487	3.4
224.08344	1.6
225.09102	1.5
227.10669	10.8
229.17987	1.3
237.09044	1.6
238.06264	1.7
241.08725	1.3
249.09145	2.2
252.07658	1.4
253.08630	4.9
253.12230	4.7
255.10225	8.8
265.08615	1.7
267.10175	2.1
270.08838	1.4
281.11743	2.2
284.10226	1.7
285.11142	6.2
287.12756	22.9
297.11258	1.8
299.12738	1.3
311.12793	4.0
313.11005	2.0
313.14310	18.5
331.15378	74.0
338.14578	1.3
343.15274	4.4
359.14621	1.2
458.32071	1.2
540.28326	4.3
541.29669	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	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.16795	0.7
69.03439	2.1
70.76681	1.7
73.02926	1.1
73.34248	0.8
77.93903	0.9
79.05497	1.2
81.07066	1.4
85.02912	3.8
85.06540	2.3
91.05474	7.5
94.04162	0.9
95.04957	2.4
95.08616	1.4
97.02892	2.8
101.62235	0.8
103.05460	1.7
105.07022	1.5
107.04953	3.2
109.02884	1.5
109.06536	2.4
109.10181	1.2
114.85738	0.8
117.07090	1.0
119.04940	6.1
119.08533	1.2
121.06492	2.5
121.10170	1.0
122.03645	0.9
123.11720	0.9
127.03922	2.0
129.07001	3.4
131.04929	2.1
133.04947	1.0
135.04413	1.1
135.11729	1.3
137.05966	30.3
145.04976	1.2
145.06496	1.8
147.04417	2.8
149.05945	4.9
151.03986	1.1
151.07536	45.3
157.06483	4.4
157.81505	0.8
161.06007	4.7
161.09680	0.9
163.03879	4.3
163.07532	10.1
164.04292	2.7
165.05513	1.6
165.06973	1.1
165.09125	2.2
167.08533	3.6
174.06767	1.5
175.07552	3.6
177.05464	1.9
177.09113	1.4
181.06633	0.8
189.09119	17.1
193.06625	1.3
193.10114	2.0
193.15915	3.3
195.08064	7.0
197.06050	1.1
201.08989	1.1
201.11101	0.9
207.10185	2.6
209.07996	1.6
210.06639	1.1
211.16957	5.7
219.10144	9.0
221.06001	2.6
221.09691	3.6
223.07504	4.3
224.08240	1.4
225.09061	1.9
227.10689	13.4
229.17967	1.6
235.07584	1.1
239.06967	0.9
249.09116	2.5
253.08521	4.6
253.12251	7.4
255.10173	11.9
267.10129	1.5
268.31842	0.8
269.08112	1.2
269.11774	1.2
272.10486	1.0
281.11670	3.0
284.10446	0.9
285.11234	9.9
287.12778	26.1
287.15988	1.4
299.12738	1.4
301.14294	1.6
313.14310	25.8
331.15378	100.0
332.15707	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	540.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27242	0.3
67.05502	0.4
69.03410	0.6
69.50651	0.5
69.51045	0.9
72.14448	0.3
79.05479	0.7
81.03445	0.7
81.07051	0.5
85.02896	2.4
85.06509	0.4
91.05476	2.2
93.07034	0.4
94.04144	0.4
95.04951	1.0
97.02869	0.4
103.05459	6.1
105.07047	1.1
107.04949	0.7
109.06521	0.4
109.10147	0.6
115.05457	0.7
117.07017	2.0
119.04955	1.9
121.06506	0.8
122.03657	1.3
123.08059	0.6
128.06250	0.8
129.06989	1.4
131.04919	14.5
133.06520	0.8
135.08037	1.0
137.05975	22.2
138.06247	0.7
143.08545	0.8
145.06511	0.8
149.05974	0.9
151.07533	13.5
157.06505	1.0
161.05960	3.0
161.09729	0.3
162.06734	1.5
163.07535	41.2
164.07909	0.5
165.09050	0.6
167.08514	0.8
171.07950	0.8
174.06746	0.6
175.07539	3.7
177.09100	100.0
178.07777	0.3
178.09398	0.6
181.04941	0.6
181.06396	0.4
188.62877	0.3
189.09094	4.0
193.10126	0.6
193.15933	0.5
195.08339	2.1
195.09993	2.3
207.08150	0.6
207.10197	1.0
210.06735	0.5
211.16956	1.7
219.10130	0.9
221.06020	0.8
221.09813	0.8
221.11716	18.6
223.07477	1.0
224.08345	0.5
225.09120	0.7
227.10631	3.1
233.09604	0.4
237.09067	0.6
238.06276	0.4
240.07649	0.5
249.09198	0.6
250.06169	0.5
253.08571	1.1
253.12204	1.4
255.10147	3.4
265.08545	1.1
267.10129	0.7
269.08249	0.4
281.11688	0.9
285.11194	2.1
287.12750	5.0
299.12680	0.9
311.12701	2.1
313.14273	4.3
331.15363	16.8
338.73627	0.4
343.15451	3.1
353.85327	0.4
445.89502	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17111	0.8
55.01864	1.4
55.05489	1.0
57.03427	2.0
59.85001	0.7
61.02911	1.4
67.05490	2.1
69.03426	6.5
69.07077	1.4
69.11863	4.6
77.03952	0.7
79.05485	1.5
81.03421	1.3
81.07053	2.2
83.08624	1.3
85.02900	11.4
85.06537	1.9
87.04449	2.5
91.05466	8.9
93.07023	2.2
94.04165	1.0
95.04993	3.3
95.08603	10.1
97.02886	5.2
99.04424	1.3
103.05462	0.9
105.07007	1.8
107.04945	1.3
107.08566	1.8
109.02853	1.8
109.06496	1.2
109.10153	4.7
115.03929	3.4
115.07568	1.7
119.04942	7.4
119.08590	1.7
121.06496	2.0
121.10075	1.4
122.03648	1.7
123.11704	1.4
127.03918	1.5
129.06972	4.6
131.04926	3.2
131.08533	0.9
133.04916	1.9
133.06491	0.9
133.10104	2.2
135.08032	1.8
135.11642	4.1
136.05232	1.4
137.05974	34.0
137.09618	2.6
143.04904	0.9
145.04893	1.1
145.06468	1.5
147.04430	0.7
149.05972	7.1
149.13329	0.8
151.03874	2.1
151.07533	45.1
153.12708	0.8
157.06488	4.9
161.05972	5.0
161.09628	1.0
163.03874	1.2
163.07568	10.9
163.14806	2.0
165.06998	1.9
165.09161	2.3
165.16447	1.0
167.07330	0.7
167.08513	3.8
174.06729	2.4
175.07533	3.1
175.14795	3.9
177.09122	4.9
179.08525	0.9
181.04958	1.4
181.15939	2.4
187.07555	0.7
189.09117	13.8
193.06526	1.9
193.08441	0.7
193.10129	1.7
193.15892	4.7
194.07214	1.0
195.08051	8.0
202.07837	0.8
207.10175	2.9
209.09677	1.1
210.06671	1.7
211.07538	0.9
211.16927	35.6
212.08377	1.3
212.17143	1.0
221.05959	2.3
221.09653	3.5
221.11568	1.4
222.06642	1.0
223.07484	4.3
224.08316	1.6
225.09103	3.5
227.10645	15.0
229.18040	4.4
234.06480	0.7
235.07529	0.7
237.09048	1.7
238.06293	0.9
239.07153	0.9
239.10498	1.0
240.07788	1.3
248.79527	0.9
249.09163	2.9
253.08640	6.2
253.12192	7.8
255.06505	0.6
255.07130	0.8
255.10143	14.6
267.10165	2.5
269.08102	1.5
269.11505	1.0
272.10385	1.5
277.83337	0.8
281.11758	3.5
285.11185	10.2
287.12753	23.8
287.16006	1.4
288.13046	1.3
299.12756	2.3
311.12915	0.8
313.14325	18.8
331.15375	100.0
332.15576	1.7
338.75220	0.8
343.15280	3.8
373.37149	0.9
439.73566	0.8
541.19073	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.1
54.42709	1.1
55.05513	5.7
57.03418	1.6
57.07070	1.7
59.05002	1.8
67.05504	10.0
69.03440	3.1
69.07073	3.0
69.15803	7.1
71.05002	4.5
72.35600	1.0
73.02924	1.2
79.05501	3.4
81.03447	1.6
81.07059	44.0
83.08624	1.4
85.02911	4.9
85.06538	2.7
87.04487	1.9
91.05470	2.3
91.41457	0.9
93.07037	5.9
95.04984	4.8
95.08611	10.8
97.02892	3.0
97.10190	3.7
99.08109	2.0
105.07018	2.6
107.04941	2.4
107.08599	3.0
109.02898	1.2
109.06544	1.1
109.10161	3.6
111.08102	1.4
119.04979	1.1
119.08526	1.8
121.10144	1.9
123.11709	35.7
129.07019	4.8
131.04883	1.4
131.08589	5.1
133.10161	3.8
135.04420	2.9
135.11717	1.7
137.05962	2.7
141.07010	3.4
141.12791	1.7
147.04388	6.3
151.11192	10.3
152.06978	1.0
157.06465	5.0
158.07336	2.0
159.08057	5.0
161.09595	1.2
163.02588	2.1
163.03889	15.6
165.05502	2.3
167.07054	1.4
169.06491	3.1
169.12236	35.9
174.06758	10.1
175.07561	2.5
175.14801	2.2
185.44220	1.0
186.06816	3.2
187.13297	15.7
189.09111	23.0
191.14157	1.1
193.15939	5.8
201.09116	7.8
209.15457	2.6
210.15625	1.4
211.16882	5.8
219.10162	100.0
220.10475	1.3
229.18015	4.2
237.11266	2.0
260.97415	1.0
330.78946	1.1
343.17581	2.4
361.18546	19.0
541.22461	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.0
55.05514	3.6
57.03434	6.2
57.07076	1.6
59.05000	4.6
61.02926	2.3
65.03923	1.3
67.05515	8.7
69.03428	20.4
69.07074	5.0
71.01367	1.6
71.05013	2.6
73.02912	2.7
78.03444	1.8
79.05505	5.6
81.03407	5.5
81.07055	19.8
83.04971	2.2
83.08634	2.3
85.02899	28.0
85.06539	5.9
86.03242	3.0
87.04469	9.9
91.05486	8.2
93.07037	12.3
95.04977	2.7
95.08598	39.7
97.02886	19.7
97.06503	1.4
97.10176	2.0
99.04459	1.7
99.08099	4.2
103.05450	2.1
105.07028	10.4
106.02917	4.1
107.04958	4.2
107.08585	14.7
109.02871	5.2
109.06514	5.5
109.10159	18.8
110.10503	1.2
111.08099	2.3
115.03920	13.4
117.07008	1.2
119.04926	5.3
119.08582	29.5
121.06492	3.3
121.10172	6.6
122.03640	1.2
123.04400	2.0
123.08075	2.2
123.11707	10.4
124.03949	5.2
127.03906	6.5
131.04945	4.2
133.04959	12.0
133.10124	19.6
135.04370	2.7
135.08067	1.3
135.11687	24.0
137.05986	20.6
137.09618	4.9
137.13239	1.9
139.03920	1.8
139.11172	1.3
145.04930	10.9
146.05234	1.9
147.04401	11.1
147.11711	4.1
149.06000	3.9
149.13266	4.0
151.03871	1.8
151.07574	4.4
151.11180	2.6
152.11545	1.3
153.06982	2.9
160.58484	1.0
161.05995	1.8
163.03871	8.7
163.06036	5.1
163.07559	4.9
165.05484	5.0
165.12711	1.6
165.16406	1.7
167.07130	1.1
169.12302	1.3
171.43268	1.0
175.07544	8.6
175.14816	41.0
177.05475	2.2
178.35957	1.0
179.07080	2.1
179.17987	1.9
180.18396	2.1
181.05069	1.2
181.06503	4.6
181.08598	8.9
193.15881	100.0
193.89497	1.2
195.06467	1.7
197.19093	2.1
198.19334	1.7
207.06601	1.7
208.06738	1.2
209.08153	2.5
211.13516	7.4
211.16931	41.2
213.09137	3.2
229.17958	6.1
229.37459	1.1
241.08784	2.7
250.06989	1.2
253.86678	1.2
268.08206	2.6
271.16968	1.2
273.11215	17.6
295.10022	1.5
325.20078	2.1
333.50519	1.1
345.09631	1.4
346.10101	4.2
391.22971	1.1
540.25995	1.6
541.22406	3.4
567.83032	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31380	1.6
54.30796	1.4
55.05498	5.3
57.03426	4.9
59.04994	2.0
61.02895	1.5
65.84959	1.4
67.05502	7.1
69.03429	15.0
69.07072	8.8
69.22577	8.8
71.04992	9.4
79.05481	4.5
81.07052	12.5
83.08604	5.2
85.02896	12.4
85.06537	5.8
87.04462	8.5
91.05479	2.8
93.07031	14.4
95.04964	2.9
95.08598	16.6
97.02888	12.4
97.06535	8.2
97.10145	1.8
98.22762	2.8
99.04459	3.8
99.08093	1.7
105.07041	4.6
107.04955	1.5
107.08589	16.6
109.02866	1.8
109.06532	3.7
109.10150	22.0
111.08066	2.4
115.03922	15.0
115.07605	8.1
119.08570	12.7
121.10149	9.8
123.08040	2.0
123.11708	8.4
125.09563	1.9
127.11167	1.8
131.04968	1.8
133.04974	16.9
133.10114	16.4
135.04408	2.5
135.11685	23.8
137.05975	6.8
137.09604	2.7
141.06972	1.9
145.04948	1.6
147.04399	1.9
149.06017	2.1
149.13258	14.9
151.03860	2.4
151.07547	10.1
153.12717	4.8
157.06470	2.0
159.08054	1.9
163.03853	14.3
163.07446	2.7
165.09036	3.1
167.14316	37.7
174.06740	2.1
175.07507	4.2
175.14815	30.6
177.16397	4.0
181.04959	2.0
189.09052	7.9
193.15874	41.6
193.17545	2.7
195.17406	3.3
201.09071	3.1
211.16919	100.0
219.10181	25.9
229.17909	3.7
285.19098	1.6
287.12610	2.7
295.10114	2.4
313.14371	2.6
325.09052	1.7
331.15378	18.7
355.20996	1.7
493.81665	1.6
541.22321	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	540.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.5
55.05515	8.3
57.03440	6.4
57.07073	3.1
59.04985	2.2
61.02909	4.8
67.05505	15.6
69.03426	12.2
69.07068	7.2
70.60442	2.1
71.01352	2.2
71.04996	6.5
73.02917	18.1
79.05484	6.8
81.03410	3.3
81.07055	68.2
83.05001	2.2
83.08618	3.8
85.02902	21.3
85.06545	6.5
87.04494	2.6
91.05470	3.1
93.07035	11.9
95.04955	4.9
95.08607	30.1
97.02891	22.1
97.06528	2.7
97.10175	10.2
98.23353	1.7
99.04453	1.8
99.08100	2.9
103.05395	1.7
105.07029	5.1
107.04941	2.5
107.08607	11.9
109.06524	2.6
109.10153	26.5
111.08082	5.4
115.03935	7.5
118.48707	1.8
119.08572	39.3
121.10134	11.3
123.08054	5.9
123.11698	56.2
125.09619	2.4
127.03905	9.3
129.06993	2.3
131.08594	2.2
133.05002	8.3
133.10143	22.3
135.11684	17.4
137.05954	1.9
137.09637	5.2
141.12746	2.3
145.04971	5.7
149.13223	2.6
151.11186	13.2
151.14836	2.8
163.03903	3.2
163.05984	4.0
165.05507	2.5
165.16386	6.4
169.12233	49.6
175.14816	49.2
175.16344	2.1
187.13293	20.4
189.09085	5.8
193.15877	100.0
194.16197	1.8
201.09044	2.8
211.16942	32.1
219.10179	22.7
229.17975	48.4
259.08075	2.3
340.15723	1.7
343.17535	4.7
359.76028	2.1
361.18509	17.5
362.89011	2.0
536.25629	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	540.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.3
55.05505	4.9
55.63614	1.2
57.03428	4.3
57.07076	1.5
58.04911	1.4
59.04995	1.3
67.05494	4.7
69.03423	11.7
69.07066	7.8
70.11465	2.3
70.11792	1.5
71.05015	3.1
73.02902	8.1
79.05479	4.1
81.03400	3.8
81.07047	10.3
83.04958	2.2
83.08615	4.8
85.02901	15.4
85.06532	3.7
85.24127	1.3
87.04466	2.9
91.05473	2.9
93.07027	5.5
95.04941	3.2
95.08601	15.9
97.02885	12.0
97.06538	3.5
99.04429	1.7
99.08086	2.4
105.07013	5.1
107.04932	3.5
107.08597	7.9
108.08105	1.3
109.02871	4.4
109.06492	3.1
109.10151	24.1
111.08050	2.1
115.03905	8.9
115.07574	2.9
119.04912	2.4
119.08574	11.9
120.18937	1.4
121.06506	2.4
121.10108	7.3
123.08058	2.9
123.11698	6.4
124.07557	1.9
127.03909	4.3
129.07022	6.7
131.04958	2.6
131.08553	6.0
133.04979	8.7
133.10135	11.8
135.04445	2.5
135.08022	2.3
135.11693	11.1
137.05980	16.1
137.09589	1.9
138.06296	4.3
139.03841	1.3
139.11131	2.0
141.06963	4.6
145.04961	4.5
147.04417	11.6
147.11685	2.3
149.13239	3.7
151.07471	1.7
151.11168	2.6
151.14769	2.0
153.12740	1.5
155.10635	2.0
157.06430	4.3
159.08058	4.8
162.06560	1.8
163.03889	5.3
163.06087	2.1
163.07501	1.5
165.05498	2.7
165.16389	7.3
169.06487	2.3
173.09665	1.3
174.06711	11.1
175.07494	4.1
175.14807	24.3
177.16322	3.3
179.06999	2.8
181.08537	1.7
186.06740	2.2
187.07512	1.5
189.09099	22.0
191.10631	2.7
193.15869	49.6
201.09071	7.9
211.09616	2.3
211.16931	38.4
212.90160	1.3
219.10150	100.0
220.10503	1.6
227.16437	1.4
229.17975	22.4
237.11206	1.6
241.07048	1.9
259.08179	3.0
259.89090	1.3
289.17938	1.6
290.87723	1.6
325.20193	3.2
355.20972	2.2
403.04904	1.4
441.17734	1.5
478.33374	1.6
522.62616	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01856	1.6
55.05507	4.8
56.34212	1.1
57.03429	4.9
67.05494	6.0
67.29068	1.2
69.03421	15.2
69.07059	9.2
70.95575	1.8
71.04984	9.8
71.38604	1.3
73.02908	1.7
79.05491	3.9
81.03419	1.8
81.07050	10.6
83.08618	5.2
84.73189	1.2
85.02900	13.0
85.06535	5.8
87.04459	6.7
91.05478	3.0
93.07037	14.9
95.04958	3.4
95.08604	22.5
97.02892	13.4
97.06533	6.8
97.10142	1.9
99.04454	4.0
99.08065	2.2
105.07037	5.0
107.08588	20.0
109.02909	1.9
109.06503	4.0
109.10143	23.9
111.08092	2.9
111.11749	1.3
115.03934	15.7
115.07581	5.9
117.07009	1.2
119.04890	1.8
119.08565	12.7
121.10141	9.4
122.13575	1.3
123.08071	3.1
123.11694	9.2
125.09615	2.2
127.03926	3.6
127.11163	3.6
129.07030	2.1
131.08548	2.3
133.04964	14.3
133.10121	17.4
135.04395	1.4
135.11684	26.9
135.12651	2.3
137.05972	4.3
137.09601	3.0
145.04950	3.4
147.11644	2.8
149.13232	16.3
151.07471	8.3
153.12701	9.7
161.05945	2.2
163.03879	11.5
163.07603	2.3
164.04182	2.3
165.09103	2.3
167.14308	36.9
174.06767	4.1
175.07632	2.0
175.14810	30.3
177.05446	1.3
177.16396	3.8
181.04950	2.4
189.09064	7.6
193.15865	39.8
195.17439	2.0
201.09081	3.4
211.16914	100.0
212.17216	2.3
219.10147	24.7
219.12312	1.3
229.17999	7.7
239.54480	1.4
261.09085	1.3
285.11157	2.4
287.12762	1.7
295.10083	1.7
313.14304	4.0
315.48831	1.3
331.15408	14.4
541.22479	16.6
554.13232	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01871	3.4
55.05510	2.0
57.03178	0.7
57.03433	6.3
57.07058	1.3
59.04998	1.2
60.96434	0.5
61.02923	4.3
64.27076	0.5
65.03928	2.2
67.05499	4.1
69.03424	12.4
69.07062	6.4
69.72417	1.3
71.01344	1.1
71.04975	1.4
73.02912	21.8
79.00087	0.6
79.05499	3.7
79.96307	0.5
81.03407	2.5
81.07050	17.4
83.08629	1.2
85.02901	24.0
85.06527	1.4
86.03221	0.6
87.04462	1.5
91.05473	100.0
92.05798	1.6
93.07033	9.0
95.04981	3.0
95.08604	6.0
97.02887	16.6
97.06540	3.7
97.10156	1.4
99.04459	1.7
100.17564	0.5
103.03896	1.1
103.05432	0.7
105.04536	0.9
105.07027	3.4
107.04945	44.4
107.08588	10.2
109.02874	2.0
109.06510	1.9
109.10148	5.8
111.08047	5.6
111.11720	1.8
115.03922	7.8
119.04961	1.3
119.08566	1.6
120.08115	1.0
121.06508	1.9
121.10110	3.2
123.04419	0.7
123.11698	6.8
124.10208	0.6
125.09614	0.6
127.03902	6.6
131.04912	2.4
133.04964	11.6
133.06468	0.8
133.10121	5.6
135.08049	1.2
135.11696	2.1
137.05975	1.7
137.13242	1.8
139.03947	0.6
139.11127	2.8
140.34949	0.5
145.04947	9.4
145.06152	0.9
147.04343	1.1
147.11766	0.9
149.05963	1.2
149.13234	0.9
151.03903	1.0
151.11154	8.4
153.12735	1.0
161.05965	1.3
163.03893	1.2
163.05992	2.6
163.07527	1.6
163.14777	0.9
165.05653	0.6
165.09122	0.8
165.12724	1.4
167.07043	2.0
167.08315	0.6
169.12236	2.1
173.06013	1.1
177.16391	0.8
179.03426	0.7
181.04994	0.8
181.12265	1.5
185.71016	0.5
189.05473	0.9
191.07002	1.2
195.17474	0.5
203.06915	0.9
211.07700	0.7
215.07043	0.9
221.08055	0.6
223.06058	1.3
229.08578	7.2
229.18018	1.0
241.07120	1.5
245.22548	0.7
259.07718	1.0
259.10043	1.0
271.05887	0.7
271.24164	0.9
277.25238	3.8
289.25223	12.4
307.26303	25.9
308.26718	1.4
325.27335	3.5
435.94339	0.7
469.31711	1.4
493.55484	0.6
540.28961	3.8
541.22485	0.6
541.29889	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	540.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.6
52.88845	0.6
53.03940	0.9
53.19783	0.7
55.01878	3.0
55.05516	1.1
57.03441	6.8
57.07064	0.8
61.02921	4.6
61.55049	0.7
65.03932	2.2
67.05502	2.6
69.03430	11.4
69.07064	5.0
70.50596	1.0
71.01347	1.5
73.02921	21.4
77.03934	0.6
79.05493	4.6
81.03419	2.4
81.07058	13.3
83.08630	1.0
85.02907	23.4
85.06545	0.9
87.04459	0.9
91.05481	100.0
92.05811	1.9
93.07048	6.8
95.04961	2.4
95.08617	4.8
97.02896	14.9
97.06543	2.4
99.04476	1.3
103.03940	1.3
105.07043	2.4
107.04956	65.5
107.08595	7.5
108.05283	1.8
109.02888	2.7
109.06509	2.1
109.10161	6.6
111.04461	0.7
111.08099	5.0
115.03934	9.8
119.05004	1.3
119.08567	1.3
121.02838	0.8
121.06503	2.1
121.10143	1.9
123.07966	0.7
123.11696	4.5
125.09654	0.9
127.03930	7.8
131.04900	3.1
133.04967	12.1
133.06480	1.0
133.10106	4.3
135.11723	1.7
137.13243	1.2
139.11205	2.6
145.04958	9.9
147.04390	0.7
147.11681	1.1
149.06013	2.7
149.13303	0.8
151.11177	8.9
153.12784	1.0
161.05980	1.5
161.13313	0.7
163.03935	0.9
163.06039	3.1
163.07428	1.1
163.14893	0.7
165.09155	0.9
165.12805	0.9
167.07135	1.4
173.06059	1.7
175.14906	0.9
177.05374	0.8
177.16388	0.7
181.12257	1.8
191.07089	2.2
199.06068	0.7
203.07048	1.3
203.89919	0.6
221.08128	1.5
223.06076	1.5
229.08621	7.4
229.17874	1.0
241.07092	2.3
259.07846	1.2
259.10095	0.9
271.24222	1.5
277.25299	3.4
289.25259	10.9
307.26321	22.1
325.27335	3.8
469.31509	1.5
540.28510	4.2
541.21741	0.9
541.29700	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	540.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12036	1.5
53.03938	2.7
55.01869	3.5
55.05504	18.5
55.71223	1.5
57.07066	7.3
57.30139	1.6
63.19587	1.7
65.03944	3.0
67.05505	92.3
69.07070	19.2
69.19447	11.7
70.06581	3.0
71.04995	5.1
71.08621	2.1
79.05492	49.6
81.07056	100.0
83.04977	6.0
83.08625	10.1
85.06540	5.4
85.10152	2.5
88.07610	4.1
89.06023	3.1
91.05476	21.4
93.06454	2.8
93.07043	59.3
95.04974	12.3
95.08604	68.2
95.09218	3.3
97.06538	5.3
97.10156	6.0
102.09138	3.6
105.04487	2.3
105.07014	20.0
107.04940	2.2
107.08593	32.8
109.06545	4.3
109.10146	26.8
111.08073	3.7
117.07023	6.6
119.08612	16.4
121.10144	25.6
123.08063	4.2
123.11709	18.4
129.07051	1.7
131.08524	11.6
133.10139	14.3
135.11687	26.0
137.13293	9.0
141.36752	1.8
145.10110	5.0
147.11685	11.9
149.09627	3.4
149.13274	11.9
151.11183	2.2
151.14830	2.2
159.11688	6.2
161.13228	6.5
163.11224	4.1
163.14815	7.0
165.98907	1.8
171.11702	2.9
173.13260	8.2
174.26894	1.9
175.14774	3.0
187.14821	2.2
195.13684	2.8
207.13785	9.9
209.15379	4.0
223.17029	3.7
225.14886	4.7
227.12761	5.1
235.16927	2.1
243.21103	2.8
256.26367	9.9
261.22168	3.7
275.20117	9.5
277.21622	53.9
279.23193	47.9
293.21069	6.2
295.22568	3.6
311.29416	9.7
492.25793	2.2
540.53558	27.2
541.34119	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	540.9882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62383	0.4
51.25799	0.4
52.71074	0.4
56.96562	4.1
62.04037	0.4
63.13400	0.4
70.01215	0.5
70.07800	0.5
70.08132	1.0
74.89612	0.4
98.97585	68.9
116.98624	38.6
134.99660	12.9
140.00177	0.6
153.00711	1.3
154.93349	0.4
172.94368	2.2
180.87801	0.5
190.95399	3.0
208.96559	1.0
214.95432	3.9
232.96492	8.5
234.99800	0.6
240.98805	1.1
250.97566	4.7
256.96451	18.5
258.99789	10.2
260.00143	0.5
261.00055	1.0
261.03183	1.3
272.94623	0.6
274.97525	100.0
275.97928	1.7
276.97980	0.9
277.00809	9.9
278.01062	1.3
279.01114	0.8
282.99908	3.9
284.00192	1.7
284.99905	1.9
285.99915	1.2
290.95605	0.8
292.98569	53.9
293.99014	0.9
297.99207	2.0
298.97787	3.7
300.97958	0.8
301.01093	4.3
302.01193	2.2
303.00961	2.4
304.01038	0.9
305.00543	0.6
314.95627	1.1
316.00247	0.7
316.98819	4.3
317.98843	0.7
332.96735	1.8
356.96896	0.5
359.00061	0.8
374.97787	3.3
383.00076	1.2
398.97614	24.4
399.97983	1.1
401.00989	3.5
403.00797	0.6
408.99759	0.5
416.98697	54.7
417.98987	2.1
426.01205	0.5
427.01559	0.6
434.99847	8.0
440.00455	1.3
440.98795	0.8
444.02478	1.0
445.02191	1.5
446.01923	0.8
448.55859	0.5
456.96631	1.7
457.03528	1.1
457.97260	0.5
459.00229	1.3
459.99661	0.7
501.49408	0.9
501.98840	0.8
511.00342	0.7
519.48816	0.5
522.98236	0.6
540.98907	28.5
541.99084	2.2
558.96564	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1134
Annotation	2,3-Dihydro-3',3'''-biapigenin
Peak:m/z	Relative Intensity
55.01851	0.3
57.03390	0.6
67.01864	10.2
67.05447	0.5
68.99786	5.0
69.03377	1.0
71.44926	0.4
79.01809	0.4
79.67656	0.3
81.03366	1.0
81.06985	0.6
83.01307	0.5
85.02834	1.1
86.45431	0.4
91.05458	0.7
97.02826	1.0
97.06488	0.4
105.06969	0.4
108.44978	0.3
111.00736	1.2
115.05347	0.4
119.04897	1.2
121.02864	11.9
121.03790	0.7
125.02291	1.3
127.03864	0.5
129.01833	1.6
129.06979	0.6
131.04880	0.5
133.06480	3.1
145.02785	1.1
147.04367	0.5
153.01825	37.9
154.02165	0.5
157.06477	2.5
159.04375	1.5
163.03931	2.2
169.06487	0.4
171.02881	17.7
173.05913	1.0
177.01836	2.0
177.05467	2.0
179.03371	0.8
183.04358	1.3
185.05939	1.2
187.03865	0.8
195.02887	3.2
197.05930	1.2
201.05516	0.6
201.67046	0.4
211.03830	1.0
213.05377	0.5
223.03693	0.4
225.05464	0.9
229.04927	1.0
242.05750	2.3
243.06346	0.3
247.05983	0.5
253.04958	2.9
255.02892	1.1
259.09671	0.5
270.05154	4.5
271.06003	2.2
279.02829	1.3
290.09991	0.3
295.05807	0.5
297.03909	1.5
319.09680	0.5
329.07996	0.9
345.07742	0.3
347.09152	1.0
361.10638	0.9
363.08545	1.4
371.09097	0.7
373.07010	0.9
375.08566	1.0
389.10175	61.8
390.10599	2.3
415.08105	7.4
449.19455	0.4
523.08917	0.5
534.87842	0.3
541.11304	100.0
542.11713	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	541.1897
Annotation	IRIGENIN, DIBENZYL ETHER
Peak:m/z	Relative Intensity
60.84366	0.6
68.42803	0.4
69.03390	0.6
73.02901	0.6
78.01740	0.4
81.07041	1.4
85.02879	0.9
93.07043	0.7
95.01084	0.6
95.08575	0.8
97.02878	0.6
105.07035	0.7
109.10133	1.2
113.02081	0.7
121.10105	0.5
123.11698	0.6
131.04930	1.0
135.11600	0.5
137.05930	1.5
151.03845	1.3
163.03900	2.0
169.04695	0.9
181.04976	3.8
182.05257	1.8
185.04106	1.2
197.08051	0.9
201.03552	0.6
201.05180	1.0
203.05280	2.2
211.16867	1.4
212.17224	0.9
216.07579	5.6
217.08244	0.8
220.98148	0.4
221.18613	0.5
245.06264	2.2
259.07779	1.7
275.07224	0.7
287.07220	0.6
291.08020	0.6
291.74548	0.4
299.09027	0.6
305.08273	0.6
307.26172	0.7
331.09778	0.7
347.05606	0.6
347.09460	8.4
379.13232	0.8
541.18591	100.0
542.19141	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	541.1921
Annotation	Syringopicroside C
Peak:m/z	Relative Intensity
52.30223	0.7
53.03941	2.7
53.20170	0.8
55.01868	1.0
57.03433	1.8
61.02925	3.3
65.03931	1.3
67.05495	1.1
68.99467	1.0
68.99794	5.3
69.03430	12.7
71.01353	2.1
71.04997	1.3
71.94149	0.8
73.02924	1.8
79.05486	4.0
81.03432	3.9
81.07063	1.6
85.02907	14.6
87.00808	0.8
87.04462	2.6
88.80453	0.8
91.05476	2.5
92.10772	0.9
92.24229	1.0
93.07056	1.3
95.04968	4.8
97.02887	8.3
98.81700	0.9
99.04474	1.5
100.96233	1.0
103.05479	1.6
105.03400	2.0
105.07038	1.8
107.04949	2.7
107.08587	1.0
109.02886	2.2
109.06528	6.1
111.00805	1.7
111.04445	4.4
115.05403	1.3
117.07016	2.6
119.08499	1.2
121.06480	2.1
123.04466	1.2
127.03913	3.8
129.05492	4.3
131.04904	4.4
133.02823	1.0
133.04922	0.8
133.06476	1.1
135.04431	5.4
135.08090	1.4
137.06021	2.5
139.03882	6.2
145.05072	1.3
145.06488	4.7
147.04391	1.2
149.02339	22.6
149.05946	4.9
151.03949	3.1
153.05466	8.5
153.06772	1.2
155.04909	1.1
155.06102	1.1
159.04413	4.2
161.05977	2.5
163.03908	3.2
163.07573	2.7
165.01851	1.6
165.05484	37.4
166.45271	0.9
167.03395	5.4
171.06566	4.2
173.06013	5.1
175.07558	2.5
177.05511	3.0
179.07085	1.8
187.03975	2.1
187.07535	1.1
189.05458	2.8
191.07028	25.3
197.06403	1.5
197.08018	6.5
198.08559	1.1
199.03932	1.0
201.05417	9.6
201.09138	1.1
211.07664	1.0
213.05499	1.7
215.07013	2.1
219.06517	17.2
223.06015	1.9
227.03503	1.1
229.08643	2.2
233.07991	1.4
249.11392	2.3
257.08121	2.9
269.08093	1.1
273.11255	1.7
275.09021	1.6
277.10599	1.1
283.09671	2.4
301.10727	2.1
303.08597	6.5
309.09854	1.0
319.11774	2.9
329.10101	5.8
333.13330	1.9
347.11255	50.7
361.12991	4.8
379.13852	19.7
496.14700	1.1
523.19873	1.1
541.19159	100.0
542.19476	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3144
Annotation	5-Ketomilbemycin A4
Peak:m/z	Relative Intensity
55.05505	0.9
57.07061	1.2
67.05489	0.6
67.62473	0.3
69.07079	0.5
70.06573	1.3
71.08612	0.5
71.10464	0.7
72.71626	0.3
79.05502	0.7
81.07047	1.0
82.68627	0.4
88.07636	1.5
91.05460	0.5
93.07055	0.6
95.04971	0.5
95.08599	0.8
102.09171	1.2
107.08578	0.5
114.48795	0.4
119.08567	0.5
153.41489	0.4
230.60475	0.4
249.10951	0.4
256.26279	2.2
257.26624	0.6
265.10480	4.0
274.27478	0.5
299.19937	0.7
311.29428	2.7
312.29825	1.0
315.19257	1.9
333.19254	0.4
461.81088	0.4
540.53607	3.5
541.31512	100.0
541.53204	2.2
542.31586	3.4
553.21716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03058	0.8
53.03926	1.1
53.69055	0.7
55.01870	1.6
55.05511	10.5
55.35929	0.8
57.07077	7.8
62.28305	0.7
65.03934	1.0
67.05505	16.8
67.86800	0.7
69.03432	0.8
69.07067	6.9
69.35069	3.6
70.06584	5.9
71.04990	1.8
71.08632	3.8
79.05493	13.3
81.03408	1.0
81.07056	16.2
83.04979	1.5
83.08626	7.7
85.06540	1.3
85.10191	2.2
88.07631	10.9
91.05481	14.8
93.07038	14.5
95.04977	8.7
95.08605	10.1
97.06487	1.9
97.10185	1.9
102.09177	7.3
103.05434	0.9
105.07023	14.7
107.04968	2.4
107.08601	8.6
109.06522	2.1
109.10163	4.0
111.08054	2.2
115.05437	1.0
117.06991	4.5
119.08578	14.5
121.06525	1.4
121.10123	5.4
123.08038	0.9
123.11714	1.3
125.09595	0.9
128.06242	0.8
129.07016	2.0
131.08577	9.1
133.10124	13.8
135.08063	3.6
135.11700	4.7
137.09610	1.9
141.06993	1.4
143.08578	2.2
145.06497	1.0
145.10110	10.1
147.11682	10.7
147.12744	1.2
149.09615	9.4
149.13298	1.8
151.11182	1.0
155.08527	2.2
157.10120	3.4
159.11696	5.3
161.13242	4.6
163.11166	6.3
169.10062	1.8
171.11649	3.6
173.13275	2.5
175.11079	1.2
175.14888	1.6
177.12654	0.9
183.11710	2.4
185.13251	1.9
187.11162	1.2
187.14781	1.5
197.13336	1.0
199.14809	0.9
211.14789	1.4
213.16364	2.3
223.13313	2.2
229.15797	1.8
229.19431	0.8
231.17482	2.1
241.19528	1.3
247.13080	2.3
247.16956	7.5
249.18604	4.4
256.26324	18.2
256.28867	1.3
257.19003	1.7
257.26804	5.4
259.20578	5.9
265.17987	2.2
274.27490	2.2
275.20041	11.4
275.27853	0.8
277.21649	0.8
283.26413	2.2
284.29568	2.8
293.20972	3.8
311.29413	17.4
312.29819	5.7
317.20746	2.5
353.14691	0.8
523.37836	1.6
540.53510	23.2
541.34943	100.0
541.53455	16.8
542.35419	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	541.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01868	1.6
55.05506	4.2
55.81964	0.5
57.03432	1.7
57.07082	2.8
58.94582	0.6
59.04984	1.3
61.02914	0.6
61.65985	0.5
67.05497	9.1
69.03426	3.8
69.06705	0.9
69.07063	10.3
70.73066	0.7
71.04985	6.6
71.08636	0.7
73.06538	0.8
79.05486	5.6
81.03425	1.2
81.07052	35.5
82.07354	0.6
83.04976	0.8
83.08627	3.8
85.02892	4.7
85.06535	3.8
87.04440	1.0
91.05475	4.5
93.07033	10.9
94.04189	0.8
94.07349	0.5
95.04961	1.9
95.08601	31.2
96.08960	1.1
97.02881	2.6
97.06517	3.1
97.10166	2.1
98.97594	0.7
99.08095	1.7
102.85007	0.5
103.05472	3.0
105.07019	6.4
107.04964	1.2
107.08587	12.8
108.08933	0.5
109.02885	1.6
109.06512	1.7
109.10148	15.5
110.10521	0.8
111.08080	7.9
111.11716	2.4
113.09625	0.6
115.03956	0.8
115.07616	0.8
117.07032	0.9
119.08566	4.7
121.06488	1.4
121.10124	7.9
121.86304	0.5
122.03627	1.8
122.10489	0.8
123.08028	1.1
123.11702	29.7
124.07575	0.8
124.12045	0.6
125.09643	1.4
127.03898	1.2
127.07577	0.6
127.11189	3.9
129.06941	0.6
131.04924	5.3
131.08505	0.9
133.06479	6.8
133.10107	3.6
135.04404	1.3
135.08026	3.8
135.10728	0.9
135.11693	8.0
136.07538	0.8
137.05969	41.4
137.09634	2.1
137.13249	14.8
139.11180	1.8
141.12756	1.1
143.08574	0.9
145.04938	1.5
145.06496	1.3
145.10109	0.9
147.08049	0.5
147.11671	4.8
148.07581	1.0
149.05988	1.0
149.12097	1.1
149.13243	11.2
151.03870	1.0
151.07533	3.6
151.11191	2.1
151.14801	1.4
153.12727	7.6
155.14349	1.1
157.06528	0.9
159.11693	1.6
161.06027	0.8
161.13235	1.3
162.09151	0.6
163.03903	5.3
163.07536	13.1
163.14828	2.2
164.04205	0.9
164.06982	0.9
164.15193	0.9
165.05490	1.0
165.09067	1.1
165.12738	3.8
167.07048	1.5
167.14316	2.1
168.14661	0.8
169.12207	2.8
171.08015	1.1
171.13799	2.6
173.13257	0.9
175.07573	1.7
175.14828	2.5
176.15059	1.1
177.05476	0.6
177.09094	0.8
177.16365	1.2
178.29509	0.6
181.04929	1.0
181.08611	1.0
181.15871	0.6
183.13785	2.3
187.14738	0.7
189.09117	1.3
189.16460	0.6
191.18004	1.0
193.15863	2.1
194.16168	1.6
195.17450	0.7
201.14833	1.2
203.10768	1.2
203.16351	0.5
203.17876	2.6
204.10384	0.8
207.10001	0.6
211.16922	7.8
212.17249	7.8
213.18326	0.6
214.12242	0.9
215.17941	1.1
219.21150	0.8
225.18472	1.3
229.17989	3.0
230.18323	3.3
233.19028	0.7
237.18596	2.8
237.22128	2.2
242.11771	1.7
244.13368	1.0
247.21031	0.9
259.24158	1.0
260.09058	2.3
260.12814	0.6
270.11264	1.2
271.24216	3.2
277.25208	8.1
284.12598	1.2
289.25241	10.3
294.11343	0.6
295.13193	5.4
295.26291	5.4
307.26297	26.3
307.78397	0.5
308.26468	0.8
312.12170	2.9
325.27356	8.3
327.15805	9.0
330.13327	5.3
330.16840	0.6
332.15677	1.4
344.14828	1.7
345.16992	0.8
348.14401	3.5
361.29407	1.4
362.15848	4.2
380.17035	12.5
409.18253	0.7
476.85806	0.6
541.20996	100.0
542.21271	6.1
560.47961	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45424	1.4
55.05506	10.7
57.03442	2.2
57.07061	4.6
58.07453	1.3
60.33728	1.2
60.98602	1.1
66.16958	1.3
67.05507	17.3
69.03432	6.9
69.07065	22.6
69.11488	8.5
71.04983	9.8
71.08631	2.6
73.06565	1.6
78.42792	1.4
79.05502	8.5
81.03421	2.4
81.07054	65.4
83.04974	5.3
83.08604	9.7
85.02899	6.9
85.06538	18.3
91.05477	5.8
93.07041	23.2
95.04953	5.7
95.08600	44.9
97.06511	7.4
97.10147	7.7
99.04472	1.6
99.08102	10.7
100.11243	2.7
105.07024	15.1
107.04948	2.5
107.08589	27.5
107.09262	2.3
109.06508	3.0
109.10158	37.6
111.08074	12.4
111.11755	2.6
111.36562	1.2
113.05994	2.5
113.09715	2.1
115.07564	2.2
119.04964	2.1
119.08562	11.5
121.02879	3.9
121.06483	2.8
121.10145	21.5
123.08018	1.6
123.11700	33.7
123.12534	2.7
125.09611	11.3
127.03925	2.3
127.11200	2.7
131.04921	1.4
131.08543	2.2
133.10065	8.3
135.08049	2.8
135.11687	13.8
137.05965	7.6
137.09615	2.3
137.13232	9.1
139.11168	7.1
141.12718	1.8
143.10719	2.4
145.10123	1.9
147.04347	2.2
147.11682	9.8
149.13251	15.3
151.03896	2.3
151.07521	2.5
151.11191	2.4
151.14828	2.2
153.12711	3.2
155.10648	2.8
159.11685	2.2
161.13252	16.8
162.35130	1.4
163.03862	6.9
163.07567	4.2
163.14819	8.0
165.09106	3.8
165.12700	3.0
165.16415	2.4
167.07059	2.1
167.14380	2.4
169.12268	5.7
171.13441	1.3
173.13248	2.5
175.14842	4.3
177.09096	5.3
177.16388	2.8
178.09419	3.5
179.03366	2.7
179.14304	3.3
179.17957	1.8
181.04752	1.5
183.11638	1.3
183.13815	1.3
189.16408	3.6
191.17928	9.4
194.16263	1.6
203.17883	2.2
205.19507	2.9
211.16922	5.0
212.17224	5.8
215.17894	2.7
217.19533	25.6
223.20528	2.8
223.25302	1.6
235.20561	37.4
251.02277	1.6
253.21620	32.4
271.24377	2.0
277.25250	4.5
289.25266	8.4
295.26355	11.4
307.26288	29.6
313.27277	1.4
325.27319	3.1
332.15741	3.5
343.28439	3.0
361.23569	8.2
361.29486	5.8
363.24939	7.0
541.20673	29.8
541.29639	100.0
541.45270	4.3
542.21539	2.7
542.30017	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	541.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01874	3.6
55.05259	2.5
55.05506	35.2
57.03406	3.2
57.07069	12.9
65.03927	2.4
67.05504	44.7
69.07073	16.1
69.35269	11.1
70.06571	9.6
71.04984	3.7
71.08624	4.7
72.81691	2.0
79.05048	2.8
79.05493	41.5
81.03420	2.9
81.06628	3.7
81.07056	50.7
83.04977	6.3
83.08611	27.5
85.06530	2.7
85.10166	4.0
88.07130	2.2
88.07644	12.2
91.05475	43.0
93.07043	42.3
95.04971	26.0
95.08607	35.0
97.06516	6.3
97.10158	7.0
102.09180	10.2
105.07030	51.8
107.04935	11.1
107.08602	27.6
107.70520	2.4
109.06503	8.4
109.10165	17.2
111.08074	3.2
111.85638	2.0
115.05408	2.7
117.07014	17.4
119.07739	3.5
119.08575	46.0
121.06487	6.9
121.10148	23.4
123.02728	2.8
123.08033	5.5
123.11711	2.5
125.09655	3.9
129.07007	10.3
131.08551	26.8
132.68300	2.2
133.10133	40.4
135.08092	3.7
135.11725	13.4
137.09636	6.4
137.94254	2.5
141.07004	2.9
143.08521	8.9
145.10112	30.5
147.08057	4.8
147.11670	30.1
149.08641	2.7
149.09625	26.3
149.13307	2.7
151.11174	3.4
155.08527	5.5
157.10095	10.1
159.11671	16.1
161.09596	3.1
161.13301	13.2
163.11186	30.5
169.10062	5.6
171.11684	13.9
173.09584	4.5
173.13181	7.8
175.11160	6.4
175.14745	2.8
181.10181	2.7
181.18260	2.3
183.11693	4.7
185.13278	5.1
187.14758	5.4
189.12834	2.4
189.16428	3.8
197.13266	3.4
199.14874	2.8
201.12729	3.2
205.12128	3.4
211.14885	3.6
213.16380	8.8
215.17957	3.0
223.13165	11.7
231.17358	13.5
239.17909	8.4
241.19475	4.1
247.13071	5.5
247.16933	30.9
248.17769	5.1
249.18518	16.6
256.26346	25.3
257.19016	10.6
257.26697	13.1
259.20554	9.3
273.18365	2.7
275.20059	42.6
283.26416	3.5
284.29419	2.4
293.21179	19.4
311.29398	21.2
312.29764	15.2
317.21124	2.8
523.37311	7.9
540.53406	18.6
541.34741	100.0
541.53644	57.9
542.35089	5.6
542.52777	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	542.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
59.06447	0.3
66.04681	0.4
67.05497	0.7
69.03423	1.3
69.07061	1.0
69.26869	1.9
71.04980	0.9
73.02880	0.3
75.53001	0.4
79.05487	1.4
81.03413	0.4
81.07059	2.0
85.02905	2.3
91.05471	2.7
93.07050	1.4
94.04176	2.1
95.04987	0.9
95.08614	1.3
97.02888	0.9
97.06560	0.4
103.05477	5.8
105.07040	3.7
107.04928	1.1
107.08586	1.0
109.02881	0.6
109.06507	1.2
109.10155	1.6
115.03899	0.5
115.05466	0.7
117.07001	1.0
118.82527	0.3
119.04965	0.7
121.06493	2.6
121.10107	0.5
122.03649	5.0
122.75309	0.3
123.08036	0.4
123.11691	0.6
127.03940	0.7
128.06245	0.7
129.06973	0.5
131.04935	9.4
133.06490	15.6
133.07520	0.8
135.04446	0.7
135.08064	5.4
135.11678	1.1
137.05975	100.0
137.13245	0.7
138.06305	1.3
143.08556	1.2
145.02962	0.4
145.04982	0.4
145.05373	0.4
145.06485	3.3
147.04393	0.9
147.08037	1.6
149.05963	1.1
151.07549	5.8
153.12753	1.1
157.05251	0.4
157.06500	1.6
161.05960	0.7
162.06735	0.4
163.03897	5.8
163.07541	30.2
165.09111	1.2
167.07027	0.6
171.08006	1.9
171.13803	1.5
174.06764	0.5
175.07541	2.2
177.09108	8.7
177.16409	0.5
183.13814	0.5
187.07597	0.8
188.08429	0.8
189.09106	2.9
195.17407	0.7
203.10660	4.2
213.15054	0.5
213.18538	2.5
220.08865	0.5
221.11736	3.6
231.19537	0.5
235.11215	0.8
263.10580	2.0
277.36926	0.4
295.13290	15.4
324.75922	0.4
325.09177	0.4
327.15891	26.0
328.16217	0.8
345.16507	1.8
542.22986	3.1
543.23914	1.5
556.96295	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
55.05502	4.2
57.03436	12.1
57.07071	4.0
57.85622	1.4
60.51904	1.6
61.02922	2.2
67.05500	3.9
69.03427	31.3
69.07053	8.7
71.04975	2.8
71.08622	2.1
71.45332	1.9
72.08131	1.8
73.02909	6.2
79.05482	2.7
81.03409	4.4
81.07060	9.2
83.04967	2.0
83.08596	2.9
85.02412	2.5
85.02906	43.5
85.06533	2.8
87.04468	16.3
91.05515	2.1
93.07053	10.1
95.04943	2.7
95.08605	18.4
97.02888	28.2
97.10130	3.2
99.04451	2.9
103.05466	2.5
105.07020	3.2
107.08580	22.7
109.02906	3.7
109.10166	13.3
111.08060	2.7
111.11691	2.4
115.03918	27.8
119.08557	2.7
121.10139	46.3
123.11680	6.3
125.09614	5.8
127.03912	6.3
131.04947	7.4
133.04959	24.2
135.11693	17.7
137.05991	4.6
137.09587	9.1
137.13203	5.4
139.11177	30.7
145.04945	11.6
147.04478	2.2
149.05945	2.8
149.13220	3.1
151.14812	2.5
161.04498	3.3
161.05920	3.9
163.03998	2.9
163.06097	1.7
163.07553	3.3
165.09113	6.0
165.16364	3.8
177.16385	78.9
179.07062	1.6
181.04951	2.9
183.13736	3.0
195.17439	100.0
196.17787	2.2
201.14899	2.2
207.10016	2.0
213.14874	7.0
213.18471	33.7
225.73244	1.6
229.10690	2.2
253.35541	1.8
259.08316	2.5
295.10278	2.1
309.13257	3.9
327.21555	2.5
376.61975	1.9
391.30182	1.7
393.24808	3.9
427.21857	1.8
542.22327	2.3
543.16675	2.2
543.24072	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	542.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	5.6
55.05515	6.7
55.28314	2.9
57.03434	9.0
61.02922	7.8
62.58406	3.2
62.84142	3.0
67.05493	5.9
69.03422	26.1
69.07069	12.7
71.04990	3.5
73.02914	20.1
79.05527	4.2
81.03416	7.3
81.07049	12.7
83.08620	5.0
85.02902	42.4
87.04468	4.9
90.61088	3.2
91.05462	6.0
93.07042	13.9
93.48717	4.0
95.04955	3.8
95.08617	22.5
97.02888	32.1
97.10178	4.1
99.04475	4.5
105.98941	2.9
107.08599	20.8
109.02871	7.4
109.06488	3.3
109.10162	14.0
111.08086	4.4
115.03933	17.6
115.04628	2.9
117.03360	3.5
119.08589	5.2
121.06478	3.2
121.10152	43.0
122.10492	3.5
123.04426	4.2
123.11703	6.2
125.09652	4.8
127.03916	15.9
131.05011	3.5
133.04973	9.3
133.10138	3.7
135.04430	5.6
135.11664	15.5
137.06000	7.1
137.09581	5.9
137.13281	10.7
139.11209	6.7
145.04984	13.1
151.03918	8.4
161.05933	4.1
163.03899	39.0
163.06068	7.1
165.09099	4.4
175.14880	3.7
177.16389	87.4
177.17915	4.8
179.07117	3.3
181.04977	13.7
183.13762	3.9
183.82666	2.9
195.13789	4.7
195.17448	85.6
207.10358	3.6
211.16910	6.6
212.17311	4.1
213.14888	13.4
213.18539	22.7
259.08136	6.0
517.30658	3.3
542.22900	70.7
543.24103	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63520	1.9
87.26342	0.6
91.60203	0.6
96.40942	0.6
132.61377	0.6
363.06970	2.9
381.07925	7.0
407.29474	0.8
426.71417	0.7
543.13208	100.0
544.13361	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	543.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.6
52.03147	0.2
53.03944	3.7
55.01868	0.8
65.03934	1.2
67.05485	1.0
69.03431	4.2
69.61435	0.9
71.01344	0.5
71.04984	1.3
75.87601	0.2
77.03938	0.6
79.05484	2.3
81.03413	24.1
81.07071	0.6
83.01337	0.3
85.02907	1.2
91.05473	2.9
93.03390	0.9
93.07045	1.8
95.04964	18.3
95.08620	0.3
97.02887	7.2
98.22752	0.5
99.04455	1.0
103.05452	0.8
105.03382	0.8
105.04508	0.7
105.07052	1.9
107.04948	12.9
107.08586	0.3
109.02872	100.0
109.06527	0.8
110.03199	0.8
111.04446	1.4
115.05448	0.8
117.06997	4.0
119.04929	0.5
119.08562	1.2
121.02862	9.1
121.03786	0.4
121.06499	2.6
123.04423	5.5
123.08068	0.3
125.02347	4.1
125.06003	0.3
127.03905	10.7
128.06230	0.6
129.06995	3.9
131.04938	1.6
133.02841	5.7
133.06499	0.7
135.04416	1.0
135.08072	1.0
139.03897	1.9
145.05022	1.6
145.06470	4.5
147.04395	0.9
147.08015	2.1
149.02354	3.0
149.05965	2.9
151.03894	18.5
153.01828	0.2
153.05466	3.9
155.04883	0.4
155.06044	0.7
159.04396	0.6
161.06007	0.6
163.03967	0.4
163.07527	1.7
165.09071	0.4
167.03400	3.0
167.07019	0.4
169.04977	0.6
169.07523	0.2
173.05983	3.6
175.03923	1.8
175.07516	1.9
177.05457	4.6
185.04451	4.2
189.05380	0.5
191.07013	4.9
191.08675	0.3
193.04938	1.6
193.08575	1.2
195.06508	0.5
199.03915	0.3
201.05388	1.8
201.06921	0.2
207.06406	0.3
209.07985	0.3
219.06516	5.9
233.04301	0.4
235.05954	2.3
237.07559	4.6
253.07082	0.7
255.08612	6.9
259.03485	0.2
259.06073	1.0
271.08069	0.6
275.05438	0.8
293.06509	6.7
299.09113	0.6
307.11768	1.3
311.07568	5.1
327.08694	0.7
345.09641	4.2
363.10709	16.8
381.11761	12.3
382.12219	0.3
401.73938	0.2
525.16260	1.0
543.31592	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
55.01860	0.3
61.02917	0.2
62.01412	0.2
65.03931	0.1
67.05470	0.1
69.03436	0.9
69.21381	0.8
71.04971	0.3
79.05485	0.7
81.03408	0.6
81.07054	0.2
85.02904	1.6
88.61618	0.1
91.05466	1.1
93.07051	1.7
95.04959	1.1
96.04490	0.2
97.02892	1.4
99.04433	0.2
103.05450	0.9
105.03368	0.2
105.04492	0.3
106.06541	0.4
107.04942	0.6
109.02903	0.4
115.05423	0.4
117.05759	0.3
117.07027	0.3
118.06538	4.2
121.02880	0.2
121.05721	0.3
121.06503	3.1
123.04368	0.3
124.03127	0.2
124.03956	2.1
125.06025	0.2
126.05495	0.5
127.03888	0.4
130.06528	2.2
142.06529	1.5
143.07272	1.4
144.08078	4.9
145.04901	0.2
146.06000	16.1
148.07523	0.4
149.05989	1.9
151.03848	0.4
154.06468	0.3
156.08087	0.6
157.07611	0.2
160.07555	0.4
167.07210	0.4
168.06766	0.2
168.08092	2.9
169.07603	100.0
170.06010	2.6
170.08009	1.3
170.09563	0.4
174.05420	0.2
176.07059	1.3
180.08034	0.4
181.07605	0.3
182.08371	1.9
182.09702	0.3
183.09174	1.3
184.07571	0.4
184.11238	0.4
185.07054	0.2
185.10695	0.4
188.07062	27.4
189.07405	0.4
191.07141	0.2
192.08018	0.4
194.08089	0.4
194.09688	0.3
195.09164	0.9
196.07579	0.3
197.07086	0.2
204.08173	0.3
206.08154	0.2
207.09142	0.2
209.10733	0.4
210.09114	0.2
211.08653	0.5
214.08617	0.2
215.08153	11.5
219.09166	0.7
220.07672	0.8
220.11259	0.2
221.08450	0.3
221.10680	0.6
223.08890	0.3
230.52496	0.2
234.07564	0.3
235.08731	1.1
236.09369	0.3
237.10277	2.0
238.08701	0.4
239.08096	0.3
244.11063	0.3
246.05624	0.2
247.08676	1.5
247.12338	0.7
248.07172	1.0
249.10258	0.5
250.07455	0.3
261.13834	0.3
263.08163	2.3
264.06549	0.3
265.09714	17.7
266.10236	0.6
267.11240	0.3
271.12442	0.3
272.10550	0.2
273.13715	0.2
274.08688	0.2
279.84631	0.2
281.09229	0.4
289.13287	1.2
291.14877	0.3
293.09213	0.8
299.11511	0.4
305.12830	0.2
307.14471	1.6
311.10251	9.5
312.10657	0.2
317.12836	3.2
335.13876	49.9
336.14301	1.3
345.12100	0.2
363.09015	0.3
363.13397	6.0
381.14429	47.7
382.14673	1.4
497.19116	0.8
525.18384	0.4
543.19604	0.6
543.30957	0.7
543.38690	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	0.3
69.39978	0.8
69.40387	0.8
77.32429	0.3
79.05466	0.4
81.07040	0.3
85.02922	0.4
91.05457	0.4
97.02918	0.4
100.63568	0.3
103.05463	2.7
117.07050	0.5
117.59557	0.3
119.04944	0.6
121.06485	0.3
121.10149	0.3
123.04442	0.4
131.04919	7.0
132.05267	2.8
137.05971	2.3
147.04417	1.3
148.04790	0.4
149.06004	1.3
150.06395	0.9
151.07590	0.6
162.06778	0.5
163.07533	4.6
164.07875	2.0
175.07553	0.6
177.05498	0.8
178.05690	0.4
193.08618	1.0
259.64172	0.4
279.80750	0.4
299.12650	0.5
317.13812	0.9
335.09454	3.4
411.01282	0.3
411.19971	4.5
485.19904	1.9
543.24109	100.0
544.24469	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.28202	0.2
69.55481	1.1
81.07041	0.6
98.97620	0.3
109.10166	0.3
119.04970	0.3
121.10157	0.3
131.04922	0.4
137.05962	0.3
155.03188	0.5
169.04778	0.4
173.82635	0.2
175.94930	0.3
179.07080	0.3
181.04903	0.5
203.05324	0.7
246.46487	0.3
275.07413	1.1
317.08490	0.4
333.07922	2.4
335.09485	11.1
364.82874	0.3
411.19843	3.0
525.22699	0.3
543.24109	100.0
544.24518	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	543.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80311	0.4
55.05514	0.4
57.03441	0.5
58.20745	0.3
59.40589	0.4
69.03422	1.1
69.07068	0.5
73.02927	0.8
74.05093	0.4
79.05489	0.6
81.03415	0.5
83.04963	0.4
83.08616	0.5
84.08174	0.5
85.02905	1.8
93.07046	0.6
94.23775	0.5
95.04984	0.8
95.08605	0.9
97.02915	1.0
107.08559	0.5
108.00544	0.4
109.02903	0.7
109.10182	0.6
115.03950	0.6
117.03340	0.5
121.10162	1.1
131.04947	1.1
133.04974	0.5
135.04440	0.9
137.05983	1.0
147.04411	1.0
151.03941	0.9
154.05061	0.5
161.06010	0.4
163.03909	4.7
163.07526	0.7
164.04318	0.4
177.16383	1.6
178.16762	1.8
181.04959	1.1
193.08597	0.6
195.06644	0.4
195.17421	1.0
196.17807	1.5
203.05424	0.4
213.14970	0.7
213.18507	0.7
214.15172	0.7
214.18930	0.8
275.07339	0.9
314.01199	0.4
333.08047	1.1
335.09488	5.6
339.03552	0.5
411.20090	1.3
543.24139	100.0
544.24457	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2439
Annotation	Agnucastoside A
Peak:m/z	Relative Intensity
50.51639	0.4
52.74454	0.5
53.03936	1.2
55.01864	0.7
55.05493	1.2
57.03424	1.0
62.13753	0.4
65.03917	0.5
67.05482	1.4
69.03419	1.2
69.07065	0.7
69.66615	1.4
69.68442	0.5
71.05006	3.1
77.03910	0.7
79.05479	6.5
81.03400	1.7
81.07052	4.2
82.01780	0.4
83.04981	0.8
85.02917	2.6
85.06529	0.5
91.05473	3.1
93.06460	0.5
93.07043	8.7
95.04962	7.9
95.08596	4.2
97.02890	5.6
97.06512	0.9
99.04424	2.7
103.05415	0.6
105.04496	0.6
105.07030	5.5
107.04933	2.0
107.08590	2.2
109.02876	3.8
109.06526	4.2
111.04426	1.1
111.08082	14.7
112.08469	0.5
119.08563	0.6
121.06486	1.2
121.10139	4.3
123.04399	1.7
123.08044	3.0
125.05977	0.9
127.03912	77.0
128.04266	1.2
131.04933	0.5
131.08598	0.5
133.02829	0.7
133.06471	3.5
135.08070	0.9
137.05986	1.1
139.03928	0.5
149.05954	0.7
149.09615	3.7
151.03905	4.4
151.07542	4.8
153.05444	1.5
155.07005	0.6
161.05978	1.1
165.05580	0.6
167.07118	1.1
167.10681	0.6
169.05000	0.7
169.08675	1.1
177.05479	0.9
179.07021	16.3
181.04984	0.8
197.08081	100.0
198.08400	3.9
199.76288	0.5
235.21867	0.5
259.09668	1.5
268.91196	0.4
357.15268	2.4
359.13211	0.5
363.24921	0.5
543.22693	2.2
543.31372	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	543.3143
Annotation	Tricalysioside S
Peak:m/z	Relative Intensity
55.05514	0.2
58.47032	0.2
64.71326	0.3
66.07292	0.3
67.05489	0.7
69.03420	0.8
69.05159	0.3
70.06579	0.5
79.05486	0.7
80.54108	0.3
81.03419	0.8
81.07058	0.8
82.79734	0.2
83.08617	0.4
85.02889	0.4
87.04447	0.3
91.05465	0.6
93.07047	1.0
95.04967	1.1
95.08584	0.5
97.02860	0.4
97.06535	0.4
105.07021	0.8
107.04957	0.3
107.08573	0.5
109.02902	1.1
109.10139	0.6
109.41439	0.3
111.08067	0.4
119.04932	0.3
119.08593	0.5
121.06516	0.6
121.10105	0.3
123.04440	0.4
123.08068	0.3
123.11752	0.3
125.09628	0.4
127.03927	2.0
127.36044	0.2
127.42986	0.2
131.04907	0.4
133.06505	0.3
135.04431	0.7
137.05983	1.6
145.02843	0.4
145.10281	0.3
147.04413	0.3
151.03886	0.8
151.07507	0.3
160.54095	0.3
163.03911	2.7
163.07629	0.4
164.04262	0.3
165.05493	0.5
165.09045	0.6
179.07060	0.3
181.04964	0.7
189.12657	0.3
197.08096	1.2
198.08423	0.3
203.05266	2.8
207.06526	0.6
210.06842	0.3
235.06198	0.3
259.09808	0.5
266.43631	0.2
299.09109	0.3
333.01407	0.2
335.09409	0.3
345.24149	0.3
349.75763	0.3
363.11111	0.3
363.25006	10.5
364.25241	0.4
381.25894	1.7
391.12149	1.0
411.20245	0.4
487.17838	0.4
525.30035	0.5
543.23511	9.4
543.31329	100.0
544.23645	0.7
544.31616	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74470	0.2
55.05500	0.7
57.07065	1.0
64.36566	0.2
67.05508	1.2
69.07060	0.6
69.77746	0.4
71.08615	0.5
74.30166	0.2
79.05492	1.4
81.07040	1.0
83.08612	0.4
85.10184	0.4
89.06030	1.8
91.05467	0.8
93.07030	1.3
95.08597	0.7
97.10157	0.3
105.07014	0.7
107.08604	1.0
109.10150	0.2
119.08559	0.5
121.10112	0.6
131.08607	0.3
133.08609	1.0
133.10072	0.4
135.11693	0.4
136.56215	0.2
147.11668	0.3
149.13155	0.2
177.11182	0.3
214.94777	0.3
243.22955	0.2
266.10587	0.3
267.12018	100.0
268.12329	1.9
277.21713	0.3
299.19843	0.3
300.51089	0.2
451.15976	0.3
543.20599	0.7
543.32623	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	543.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
58.22643	0.5
67.05499	1.4
69.07035	0.5
69.86552	1.3
79.05516	1.1
80.96181	0.4
81.07048	1.0
91.05480	1.0
93.07053	1.1
95.08606	0.9
106.87016	0.5
107.08600	0.6
119.08618	0.8
121.10142	0.6
131.08557	0.5
135.11559	0.5
141.50926	0.5
223.13110	2.8
239.12566	2.3
249.10991	3.5
267.12027	100.0
268.12238	1.9
299.19775	1.2
416.83182	0.6
528.88666	0.5
542.53857	0.6
543.32794	21.3
544.33301	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78273	0.2
55.05497	0.4
59.05762	0.2
65.46564	0.2
67.05508	0.9
69.07059	0.4
69.16888	1.0
79.05502	1.2
81.07055	1.0
83.05005	0.2
85.10216	0.2
87.08103	0.2
91.05480	0.6
93.07045	1.6
95.04939	0.4
95.08600	0.5
97.10127	0.2
98.45882	0.2
105.07011	0.3
107.08585	0.7
109.10214	0.2
119.08556	0.4
121.10134	0.5
133.10159	0.2
135.11710	0.4
141.34496	0.2
145.10059	0.2
149.13232	0.3
161.13365	0.2
267.12027	100.0
268.12366	1.7
277.21616	0.4
466.91623	0.2
525.53802	0.2
543.32880	2.8
543.40741	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	543.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.6
67.05517	1.1
69.07076	0.5
70.06524	0.4
71.10684	0.5
79.05515	0.5
81.07073	1.9
83.04999	0.5
83.08595	0.4
91.05476	0.6
93.07054	0.6
95.08633	1.1
105.07076	0.8
107.08609	0.8
115.03713	1.0
121.10159	0.5
129.07030	0.4
131.08350	0.4
133.10175	0.5
145.10187	0.6
180.46071	0.4
251.12459	0.6
304.39456	0.5
463.69693	0.4
542.53937	2.2
543.35315	100.0
544.35876	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
65.03936	1.2
67.05476	2.1
67.98956	1.0
69.03415	1.8
69.07085	1.2
69.95282	2.1
69.95639	2.0
70.06615	2.1
71.04976	2.0
79.05491	4.2
81.03410	1.1
81.07057	3.0
85.02887	2.1
91.05486	1.6
93.07040	2.5
95.04961	7.7
95.08608	3.1
97.02880	6.1
98.22774	1.0
99.04426	2.1
105.07025	4.1
107.04990	2.0
109.02880	2.9
109.06511	4.0
111.08069	14.7
123.04394	2.2
123.08061	3.7
127.03907	59.8
133.02882	1.1
133.06471	4.4
135.04431	1.6
137.05983	1.6
151.03906	50.6
151.05003	4.0
151.07500	4.9
153.05440	1.2
163.03899	8.8
163.16000	1.1
179.07030	17.1
181.08589	1.8
182.23679	1.1
197.08084	100.0
203.33304	1.2
544.31683	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	544.239
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05456	0.9
69.03434	2.2
70.88226	1.3
73.02923	1.5
79.05480	2.1
81.03436	1.0
85.02893	2.9
91.05483	3.2
93.03429	1.1
95.04939	1.6
95.08614	1.4
97.02876	1.9
98.22765	1.0
103.04764	1.4
103.05460	27.1
107.04954	2.5
109.02853	1.0
109.10191	1.0
119.04929	2.7
121.06499	3.1
121.10145	1.1
123.04427	1.4
124.05176	1.2
129.07025	0.8
131.04921	100.0
132.05118	1.7
133.06287	0.8
135.04405	1.8
137.05965	25.6
138.06294	1.0
140.04716	1.0
141.97987	0.8
147.04404	34.0
147.08034	5.4
149.05989	4.4
151.07556	6.2
153.05479	1.5
161.06012	2.7
162.06778	3.1
163.03929	1.8
163.07532	78.8
164.07846	1.6
167.07053	1.8
172.19664	0.9
175.07552	17.3
177.16342	1.3
179.07043	2.2
181.04976	14.0
185.15355	2.2
193.08591	25.1
196.17827	0.9
199.06010	1.0
213.09074	0.9
213.18472	1.1
221.18445	0.8
233.05930	0.8
253.08505	1.4
271.09708	2.7
283.09671	1.2
299.12891	5.6
317.13846	13.7
544.24408	10.0
545.25397	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87183	0.7
55.05509	5.0
57.03434	4.6
57.07076	7.4
59.05003	73.5
67.05490	1.3
69.03430	19.3
69.07070	27.6
70.83283	1.2
71.08629	5.3
73.06561	9.3
77.06043	5.3
79.05473	1.4
81.03416	0.8
81.07058	1.3
83.08633	1.1
85.02911	13.4
85.10163	2.4
87.04465	18.2
91.05482	1.0
93.07039	1.5
97.02892	12.2
99.04438	0.9
105.05508	32.5
109.10170	1.2
111.11720	33.6
111.12499	1.7
115.03935	13.3
115.27791	0.7
117.05483	2.3
121.10160	1.0
123.06530	1.7
127.03925	2.2
129.12758	100.0
130.13132	0.8
130.56961	0.6
131.04968	0.7
133.04048	1.3
133.04968	10.8
135.04434	2.3
145.04973	3.0
146.08141	1.0
151.07526	0.7
163.03911	10.7
163.05893	0.9
164.04222	1.1
171.20969	0.7
180.40685	0.7
181.04944	1.0
215.16405	6.9
228.02672	0.8
233.17490	12.4
252.97275	0.7
383.11307	2.6
503.06775	0.8
544.22961	5.4
544.31580	1.4
545.33026	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.6
57.03436	5.5
57.07069	8.2
59.05001	68.6
61.02929	1.0
64.93645	0.8
67.05498	2.9
69.03431	21.7
69.07069	28.3
71.08637	5.1
72.08137	1.1
73.06555	8.9
77.05666	0.9
77.06036	5.1
79.05485	1.5
81.03408	2.5
81.07025	2.3
83.08618	2.2
85.02905	14.4
85.10174	3.1
87.04464	20.5
88.70089	0.9
95.04981	1.4
95.08601	1.6
97.02891	14.8
97.10237	1.0
97.50169	0.9
102.01388	0.9
105.05502	32.0
105.07013	1.1
108.13438	0.8
109.02901	2.3
109.06523	1.4
109.10145	3.7
111.08104	2.1
111.11718	31.5
115.03936	12.8
117.05486	2.5
117.07018	0.9
121.10165	0.9
123.06562	1.4
123.11680	0.9
127.03918	10.6
127.11205	3.1
129.12756	100.0
131.04980	1.0
133.04974	11.6
137.05934	1.8
137.09619	3.5
145.04947	2.3
150.09039	1.0
151.03918	1.3
151.07538	0.9
153.01723	1.2
163.03874	2.7
163.05986	1.2
165.05397	0.9
165.09119	4.4
167.06970	1.0
179.07062	2.9
185.19066	1.1
197.08046	9.5
215.16432	10.6
233.17484	14.4
236.09198	1.6
259.09851	1.8
309.13083	1.0
311.05505	1.0
327.14468	1.1
335.60800	0.9
339.08270	1.1
383.11313	6.1
408.72269	1.2
544.24146	2.7
544.31537	8.3
545.24292	13.2
545.32501	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	545.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45255	0.3
67.05475	0.4
69.03417	0.3
71.43832	0.4
76.18723	0.3
79.05499	0.5
91.05470	0.4
105.07032	0.4
135.04427	0.4
153.01830	1.7
180.91557	0.4
203.03458	0.6
229.05077	1.0
242.05887	0.4
257.02402	0.4
257.04446	21.9
258.05215	11.6
286.04715	33.8
287.05450	12.5
314.87820	0.3
355.12216	0.4
383.11246	100.0
384.11746	3.1
545.17676	1.3
545.30884	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01794	0.6
53.03944	0.9
55.01847	0.8
55.05517	1.6
55.21301	0.7
57.07050	0.8
59.04995	2.8
61.18627	0.6
67.05498	2.8
69.03421	2.2
69.07064	1.8
71.04991	4.4
71.08635	0.9
78.53957	0.5
79.05491	3.8
79.63811	0.6
80.75158	0.6
81.03422	1.1
81.07061	9.5
83.04994	1.1
85.02897	3.4
85.06540	0.8
85.53078	0.7
87.04458	1.1
91.05482	1.9
91.53898	0.7
93.07041	2.4
95.04977	7.8
95.08603	5.1
97.02882	4.7
97.10162	0.8
98.22607	1.4
99.04452	2.5
105.05495	1.7
105.07057	4.4
107.04951	2.0
107.08601	1.5
109.02842	2.1
109.06506	3.7
109.10154	1.0
111.08084	14.0
111.11724	0.7
115.03928	1.1
121.06532	0.8
121.10098	0.7
123.04404	1.8
123.08076	2.6
123.11673	3.9
125.06004	0.8
127.03915	69.0
129.12759	4.7
130.13046	1.3
131.08553	0.8
133.06468	1.9
133.10139	0.8
137.05956	1.5
142.03923	0.6
151.03886	5.7
151.07559	5.3
151.11125	0.9
153.01839	3.7
153.05457	1.7
153.09108	0.8
161.05968	2.6
161.13243	0.7
163.03809	1.6
167.06981	1.2
169.08624	0.9
169.12244	2.0
173.06902	0.7
179.07030	22.3
187.07535	1.0
187.13292	1.5
197.08089	100.0
198.08463	1.2
250.89172	0.8
278.29965	0.7
299.56372	0.7
305.81024	0.7
311.05554	4.2
339.08475	1.5
347.18546	2.2
365.26736	1.4
383.11224	21.8
401.21475	1.6
452.10324	0.7
521.26257	0.8
527.21332	0.7
545.23810	50.7
545.32739	18.4
546.24194	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
67.05496	0.3
69.03416	0.2
69.07048	0.3
70.69576	0.3
79.05468	0.2
83.08623	0.2
85.02898	0.3
93.07061	0.3
97.06533	0.2
100.11253	0.5
105.07037	0.3
107.08628	0.2
109.10189	0.2
111.04465	0.2
133.05069	0.2
137.05977	0.2
141.33990	0.2
145.10103	0.2
153.01810	2.2
163.03865	0.4
182.15410	0.4
187.07584	0.3
189.05399	0.2
191.53146	0.2
203.05272	0.8
210.14832	0.3
236.09125	0.2
246.64218	0.3
271.06027	0.4
282.05341	0.4
287.05463	0.4
295.69995	0.2
311.05533	2.1
323.05542	0.5
339.08670	1.1
359.72537	0.2
365.26593	3.7
383.11224	9.5
383.27701	1.2
384.11652	0.7
425.29160	0.2
441.28897	0.2
527.31628	0.7
545.32953	100.0
545.84509	1.0
546.33215	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	545.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03872	0.2
54.06654	0.2
55.05510	0.4
55.88812	0.2
59.42213	0.2
62.88923	0.2
71.25266	0.2
71.70824	0.2
81.07052	0.4
107.08613	0.3
109.10128	0.4
123.04366	0.2
127.03894	0.3
133.06549	0.2
153.01837	2.0
163.03938	0.3
167.07117	0.2
182.05489	0.2
197.08192	0.2
205.12402	0.2
257.04358	0.3
258.05261	0.3
263.83939	0.2
265.05115	0.2
271.06094	0.3
281.04544	0.2
286.04691	1.2
297.03986	0.3
298.04794	0.3
299.05881	0.2
311.05472	1.9
323.05627	0.6
327.04935	0.3
355.11600	0.4
382.48456	0.3
383.11215	13.3
383.27658	0.8
384.11566	0.7
463.78946	0.3
527.32019	0.4
545.32935	100.0
546.25433	0.3
546.33307	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	545.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
64.78458	0.2
67.05513	0.2
67.32207	0.2
69.40007	0.3
69.40396	0.5
70.12424	0.2
81.07080	0.3
85.02923	0.3
85.55881	0.2
90.74345	0.2
91.05493	0.3
93.07064	0.2
97.02885	0.2
105.07021	0.2
107.04995	0.2
109.02935	0.2
119.08530	0.2
127.03911	1.4
151.04066	0.2
163.03810	0.3
164.70241	0.2
179.07008	0.3
197.08054	1.3
212.34315	0.2
239.50206	0.2
256.30402	0.2
383.11334	1.0
383.27753	1.1
527.32300	0.4
545.15912	2.5
545.32941	100.0
546.33295	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.33
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
55.12709	0.2
66.39398	0.2
68.45865	0.2
70.06574	0.2
81.03376	0.2
81.07056	0.2
83.08609	0.2
86.09701	0.2
91.05495	0.2
93.07033	0.3
95.08634	0.2
97.02838	0.2
97.06542	0.2
100.11271	0.6
105.07017	0.3
107.08586	0.3
109.10128	0.2
111.08072	0.2
135.04416	0.2
137.06030	0.2
153.01825	1.9
159.11703	0.2
163.03882	0.5
169.07594	0.2
179.06961	0.2
182.15443	0.3
182.61729	0.2
187.07497	0.2
191.96747	0.2
203.05258	0.6
210.14981	0.3
233.15633	0.2
246.63982	0.2
271.05981	0.4
287.05386	0.2
305.35486	0.2
311.05475	1.4
323.05496	0.5
339.08591	0.8
365.26501	2.1
383.11234	6.9
383.27661	1.3
384.11594	0.4
527.32111	1.2
545.32971	100.0
545.84723	1.1
546.26154	0.3
546.33405	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	545.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09242	0.4
55.05495	0.5
57.40997	0.4
61.52024	0.3
67.05501	3.2
69.07053	0.6
69.63239	0.3
79.05502	0.7
81.07051	3.2
83.08616	0.6
86.73322	0.4
91.05492	0.6
93.07045	1.1
94.00289	0.3
95.01087	0.6
95.08600	2.2
105.07003	0.4
106.40158	0.3
107.08591	0.7
109.10144	1.1
110.03388	0.4
111.82300	0.3
121.10178	0.4
131.08559	0.5
133.10097	0.5
135.11768	0.3
148.33791	0.3
152.73039	0.3
171.72256	0.3
179.14359	0.6
180.11247	0.6
209.11479	0.8
214.94800	1.0
241.54172	0.3
247.13054	8.3
251.12643	0.6
253.14137	0.5
267.12024	100.0
268.12335	1.0
279.23166	0.6
398.09244	0.3
453.17599	0.4
545.22815	2.7
545.34271	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	546.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
55.05513	5.5
57.03437	4.5
57.07081	1.1
65.17310	0.8
67.05504	6.2
69.03434	0.9
69.07076	6.4
69.72311	0.7
69.95757	1.6
71.04979	1.6
71.08622	4.4
78.68578	0.7
79.05482	4.9
81.07055	10.2
83.04998	1.1
83.08600	3.3
85.06552	0.8
91.05471	4.4
93.07047	6.2
95.04955	1.0
95.08599	9.9
97.06520	1.2
97.10176	1.5
98.98480	3.7
99.08102	2.7
105.07036	7.4
107.08575	6.9
109.06523	6.0
109.10147	3.1
111.08099	1.3
117.07021	1.6
119.08575	8.9
121.10142	3.2
123.08070	13.2
125.09639	1.2
126.54778	0.8
131.08562	2.2
131.74768	0.8
133.10135	7.1
135.08072	7.4
135.11665	2.4
137.09642	1.6
137.13211	1.0
145.10120	3.4
147.11682	5.4
149.09596	2.7
149.13245	2.1
151.11046	0.8
157.10103	1.1
159.11679	2.4
161.13225	1.9
163.11133	1.2
165.12695	1.2
167.14279	1.6
173.13271	1.9
175.11224	1.0
175.14816	5.7
177.12732	4.2
177.16455	1.1
179.14304	21.9
179.15891	1.1
189.16257	1.1
193.15901	1.2
195.00305	1.9
197.36989	0.8
205.15921	3.8
216.06326	1.4
233.19083	0.8
252.92944	0.8
263.20111	0.9
275.20090	1.2
289.21616	5.7
289.24628	1.2
293.21103	1.7
303.26822	2.2
315.33890	0.8
319.22577	1.3
331.26334	12.2
347.25745	1.4
349.27487	5.7
361.26996	0.9
374.30579	1.8
387.29025	5.1
390.20236	1.0
405.29990	100.0
406.30206	2.5
485.26443	2.3
497.21545	0.8
503.27710	4.0
528.30731	1.3
546.31683	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	546.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.0
55.05505	4.2
57.03434	4.0
57.07063	1.8
67.05495	6.0
69.07069	7.6
69.39704	1.3
69.40108	1.5
71.04981	1.3
71.08634	4.4
79.05485	4.3
81.07050	12.2
83.04974	1.0
83.08638	3.0
85.06551	1.7
86.09735	0.7
91.05471	3.6
93.07042	5.3
94.32087	0.5
95.04956	0.6
95.08595	9.9
97.06547	1.5
97.10175	1.5
98.98440	3.6
99.08085	2.4
105.07005	6.2
107.08585	7.5
109.06512	5.3
109.10137	3.8
111.08056	1.4
117.07026	1.1
118.68887	0.5
119.08572	9.5
121.06479	0.5
121.10120	4.7
123.08060	16.9
123.11699	1.9
125.09624	1.1
131.08565	2.1
133.10109	7.9
135.08041	8.0
135.11693	2.3
137.09595	1.3
137.13326	0.8
143.08498	0.9
145.10115	2.3
147.08031	0.9
147.11664	4.7
149.09615	2.1
149.13210	3.3
154.94171	1.4
159.11679	2.2
161.09634	1.2
161.13255	1.6
163.11168	0.9
165.12704	1.1
165.16534	0.6
167.14261	1.3
172.95233	1.2
173.13293	0.8
175.14806	6.1
177.12758	3.6
177.16449	1.3
179.14293	21.7
184.07344	1.9
185.13474	0.7
191.14249	1.3
193.15868	1.9
205.15895	3.0
207.99783	1.1
210.08891	0.9
210.97682	2.1
216.06357	1.7
228.97786	0.9
233.18994	0.9
246.98697	0.6
261.22290	0.8
263.19949	1.3
271.20837	0.6
275.20059	1.0
289.21634	5.4
289.24576	0.8
293.06995	0.5
293.21133	2.7
303.26831	1.5
318.18375	1.5
319.22675	1.2
331.26276	12.6
332.26520	0.8
337.23938	0.8
347.25818	0.8
349.23651	0.9
349.27365	6.1
361.27338	1.0
369.27911	1.5
374.30582	1.5
375.28751	1.3
375.84952	0.6
381.59912	0.6
387.28964	5.3
405.29962	100.0
406.30231	3.2
447.79501	0.5
454.17566	0.6
472.18408	1.1
485.27350	0.8
502.88931	0.5
503.27634	5.4
546.23029	1.2
546.32385	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	546.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
55.05514	4.2
57.03445	3.3
57.07066	1.8
62.06097	1.1
67.05506	6.4
69.03431	0.5
69.07071	7.4
69.29284	0.4
70.76818	0.7
71.04991	0.9
71.08636	3.5
79.05498	4.0
81.06567	0.5
81.07055	9.6
83.04988	1.0
83.08617	3.3
85.06541	1.3
91.05473	3.8
93.07045	6.2
95.04922	0.8
95.08610	7.5
96.10094	0.4
97.06526	2.2
97.10197	0.8
98.98464	2.9
99.08078	2.2
105.07028	5.4
107.08608	6.1
109.06516	5.4
109.10149	3.1
111.08073	1.8
117.07010	0.9
119.08578	7.4
121.10133	3.8
122.07303	0.5
123.08069	14.1
123.11708	1.8
125.09650	1.4
131.08598	2.2
133.10123	6.5
135.08037	6.7
135.11705	1.5
137.09607	1.1
140.40271	0.5
143.08575	0.9
145.10114	2.6
147.11662	3.8
149.09605	1.5
149.13263	2.0
157.10168	1.2
159.11679	2.6
161.09645	1.2
161.13237	1.2
163.11160	0.8
165.12779	1.1
167.14282	1.0
171.11707	0.7
173.02083	0.7
173.09677	0.5
173.13306	1.2
175.14832	6.2
177.12729	3.5
177.16396	0.8
179.14307	21.2
189.16364	0.6
191.14360	0.6
193.15863	1.1
198.05214	0.7
203.14337	0.6
205.15874	3.0
216.06233	1.1
223.16974	0.6
231.15897	0.6
232.17688	0.4
248.37308	0.4
248.80070	0.4
257.15527	0.4
263.20087	1.2
275.20099	0.9
289.21680	6.0
293.21112	1.9
303.26917	1.5
312.94653	0.4
317.21097	0.4
319.22754	0.9
331.26291	10.2
337.23917	1.0
347.25769	0.7
349.23682	0.7
349.27426	6.0
357.27863	1.0
361.27368	0.6
369.27948	0.8
374.30530	2.2
375.29025	1.5
387.28909	5.8
405.29993	100.0
406.30420	2.6
481.20264	0.5
485.26675	1.3
503.27570	5.4
528.30945	0.6
546.32117	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	547.1813
Annotation	Pedunculosumoside D
Peak:m/z	Relative Intensity
55.01855	1.3
55.05503	0.5
57.03424	0.6
61.02921	0.4
63.38836	0.3
67.01519	0.5
67.01863	7.9
67.05509	1.4
68.99780	3.2
69.03425	2.4
69.06716	0.3
69.07065	3.7
69.10362	0.3
69.66727	1.0
74.79357	0.3
79.01855	0.4
79.05487	3.7
81.03411	1.8
81.07042	1.3
82.57069	0.3
83.01335	0.6
83.04940	0.6
83.08664	0.3
85.02895	2.8
89.03915	1.1
91.05460	1.2
93.07033	0.7
95.04964	1.8
95.08611	0.4
97.02896	1.5
97.06528	10.5
105.07043	0.6
107.04942	1.2
109.02863	0.5
110.03642	0.4
111.00791	1.2
111.04431	0.8
113.64062	0.3
117.03360	1.2
119.04921	0.8
119.08566	0.5
121.02848	1.0
121.63157	0.3
123.04429	5.0
125.02352	1.0
127.03912	1.3
129.01805	0.7
129.07013	0.3
131.04906	0.5
131.08551	0.4
133.02850	1.1
133.06487	0.3
133.10071	0.6
134.03641	0.9
135.04401	4.1
136.05203	0.4
137.02330	0.9
137.05963	2.7
139.03889	0.6
145.02853	3.8
147.04395	2.9
147.08170	0.3
147.11754	0.6
149.02368	0.3
151.03893	1.3
153.01817	95.9
154.02209	0.9
157.06534	0.4
159.04358	0.8
160.05214	1.4
161.02322	1.0
161.06038	0.5
163.03891	19.2
165.01854	0.9
166.02606	5.3
167.08548	0.4
169.06467	0.5
171.02882	33.2
173.02292	1.6
173.05977	4.2
175.03931	0.5
176.11935	0.4
177.01816	0.5
179.03384	12.3
183.02930	0.7
184.07323	0.6
185.06036	0.9
187.03854	1.7
189.09079	1.8
191.03413	0.6
195.02872	3.6
195.08044	0.6
197.05954	0.6
199.03969	0.7
201.05505	0.6
203.03389	1.0
203.06961	0.4
213.05576	1.6
213.09204	0.6
215.07179	1.9
215.10660	7.6
217.04874	0.3
219.02841	1.4
231.02827	0.8
231.06516	1.1
233.11777	1.3
239.06985	0.5
241.04933	0.6
241.08580	5.7
249.03781	0.4
259.06046	1.9
259.09641	4.2
261.04037	0.8
269.04510	0.5
270.05212	1.1
271.06018	1.2
283.09744	0.3
287.05359	4.2
288.06281	0.8
289.07001	1.7
299.05472	3.4
311.12750	0.3
325.07056	4.0
337.14267	1.4
341.10098	1.1
349.10699	0.6
355.15338	1.3
367.11740	44.2
368.11932	0.6
385.12784	100.0
386.13092	1.9
397.12866	0.9
409.13116	0.7
451.13861	0.6
463.14435	0.5
547.21576	0.9
547.32770	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.229
Annotation	3beta-Isodihydrocadambine
Peak:m/z	Relative Intensity
53.03955	0.5
55.01873	0.7
55.05513	1.2
56.05030	0.6
57.03429	1.6
59.04993	0.5
61.02909	2.4
67.05520	0.7
67.51689	0.5
69.03427	7.0
71.05012	1.1
73.02924	1.6
79.05489	1.9
81.03432	2.1
81.07070	1.6
83.04993	0.9
85.02911	7.6
87.04472	2.3
89.03934	0.6
91.05450	2.3
93.07070	1.9
94.06593	1.1
95.04993	1.4
97.02905	3.3
99.04494	0.9
105.03448	0.8
105.07081	1.0
106.06583	0.8
107.04981	1.4
107.08627	1.1
107.32335	0.5
109.02920	1.3
109.06557	1.7
116.33439	0.6
117.03432	0.7
117.07040	0.6
119.08587	3.2
121.06505	0.6
121.10135	0.5
123.04443	0.6
123.08108	0.8
124.29747	0.5
127.03951	1.4
129.07021	0.7
130.06511	3.4
131.08589	0.6
132.04489	1.2
135.04417	1.0
135.08055	0.6
137.09625	0.5
140.07117	0.6
144.08160	1.0
145.02866	1.5
145.04971	0.7
146.06013	3.9
146.09598	0.7
147.03461	0.5
147.04419	2.5
147.08035	3.7
148.11244	0.5
149.06012	0.5
151.03964	0.6
157.07635	0.8
158.06009	3.2
158.09633	0.6
159.09224	0.8
160.07628	1.1
163.03906	6.7
165.09109	2.7
167.07065	0.6
169.07651	2.3
170.06001	0.5
170.09628	0.7
171.09216	0.6
172.07658	0.7
175.08769	1.0
177.05563	1.9
185.07211	1.1
187.08720	1.9
195.09204	1.4
196.07668	0.7
198.09215	0.9
213.06613	0.5
213.10240	0.6
239.11908	1.4
285.12360	4.5
294.52155	0.5
295.10538	0.5
295.14517	0.7
313.11929	0.5
313.15598	1.2
323.17657	1.8
339.17081	1.0
346.53979	0.5
355.12091	0.7
367.16418	3.6
369.18204	1.3
385.17624	35.5
386.18137	1.2
417.56323	0.6
547.22943	100.0
548.23206	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	548.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
54.67876	0.3
55.05499	0.7
57.03434	1.5
61.02926	0.4
65.03938	0.8
66.04726	0.3
67.05502	1.1
69.03429	5.9
69.07070	0.7
69.23338	2.0
73.02911	0.6
79.05492	14.4
81.03426	0.4
81.07055	100.0
81.88686	0.3
82.07373	0.9
82.32361	0.3
85.02904	4.0
85.06586	0.4
87.04465	3.3
91.05489	0.8
93.07043	1.3
95.04963	2.3
95.08600	3.2
97.02897	4.4
105.04505	0.4
105.07037	1.4
107.04945	1.1
107.08595	1.0
109.02873	0.5
109.06504	0.4
109.10163	0.9
115.03934	5.4
117.07039	0.7
118.06603	0.3
119.08594	1.2
121.02866	2.5
121.10153	1.2
123.04466	0.7
124.03895	0.3
127.03924	0.7
129.06995	0.4
131.08607	0.4
133.02893	0.3
133.04945	5.2
133.10185	1.2
135.11716	0.8
139.03896	7.8
139.07573	0.4
139.11203	1.4
145.04915	0.6
145.06526	0.5
145.10135	1.0
150.07614	1.6
151.03914	1.0
153.01851	1.0
153.05438	0.3
153.07111	0.4
153.12758	0.7
154.02176	0.3
154.07228	0.3
159.11707	0.8
163.03918	0.4
163.07616	0.6
167.07162	0.4
173.05997	1.0
191.07054	1.4
193.08653	0.4
195.06511	4.3
199.07484	0.4
200.07921	0.8
201.16405	1.6
206.06186	0.4
207.13762	0.5
209.08118	0.3
217.05031	0.9
219.06757	0.5
219.10161	7.5
219.17488	0.8
223.40993	0.4
237.07608	0.5
237.18504	0.4
295.10178	0.3
338.14728	0.7
339.12317	0.5
351.14294	0.4
355.15704	1.6
356.15723	3.2
369.15463	0.6
386.12897	0.4
402.29153	0.3
547.34491	17.2
548.34857	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	548.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.2
56.05024	0.7
58.06320	0.2
58.06613	0.5
60.08160	7.1
67.05490	0.2
69.07050	0.3
69.59232	0.7
71.07371	3.2
79.05479	0.2
86.09702	30.6
87.10027	0.2
93.07021	0.2
94.00194	0.2
95.04955	0.2
95.08642	0.2
97.26382	0.2
98.98463	3.2
104.10738	4.4
107.08521	0.2
119.08601	0.2
122.50075	0.1
124.99997	21.0
133.10092	0.2
136.75137	0.2
150.43808	0.1
157.03770	0.2
184.07332	100.0
185.07695	0.6
219.11707	0.4
235.21269	0.2
258.10971	0.4
284.34695	0.2
332.15775	0.2
516.17792	0.8
530.28857	1.1
548.20740	0.6
548.29669	7.8
549.30109	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.4
53.03925	0.5
55.01858	0.7
55.05501	0.4
57.03424	0.7
60.93925	0.4
65.03924	1.0
67.05498	0.7
68.31076	0.3
69.03424	3.5
70.01543	1.0
71.05013	0.3
73.02902	0.6
79.05476	1.1
80.92576	0.3
81.03411	1.1
81.07037	0.5
83.04969	0.7
85.02905	4.3
87.04411	0.3
91.05479	1.3
93.07083	0.7
94.04183	2.3
95.04957	1.2
95.08584	0.7
97.02896	2.4
97.06535	0.5
99.04443	0.4
105.07024	0.9
107.04967	0.9
107.08577	0.6
109.02860	1.0
109.06536	0.6
109.10170	0.6
110.03666	0.4
115.05444	1.4
117.07001	1.5
119.04938	0.5
119.08555	0.6
121.10122	0.7
122.03648	5.4
123.04439	0.7
123.08014	0.9
125.05982	0.8
127.03894	1.4
131.04932	0.4
133.10143	0.5
135.04402	3.5
135.08069	0.6
137.05972	100.0
137.09514	1.8
137.13203	0.4
138.06276	1.0
143.04944	3.2
145.04987	0.5
145.06467	2.7
145.10135	0.4
147.04404	1.3
147.08018	0.7
149.06007	0.5
149.09598	0.9
151.03909	2.7
151.07515	0.8
153.05469	1.3
153.09093	0.4
155.06059	0.5
160.05319	0.3
161.05971	0.6
163.03853	0.6
163.11105	0.7
165.05525	0.5
165.09105	4.0
165.12743	0.9
167.07042	9.3
167.10663	0.5
171.06593	0.8
173.05965	3.2
175.07527	1.3
177.05486	0.7
179.14276	0.6
181.04950	13.9
189.05302	0.9
189.06990	0.3
189.12779	1.8
191.07024	0.4
193.06979	0.4
195.06570	0.6
195.94873	0.4
203.07036	0.9
205.08647	1.8
207.13766	6.0
225.14856	5.0
233.08154	1.0
235.09711	3.2
240.40367	0.3
316.35394	0.3
357.13318	13.2
358.13654	0.4
387.14417	7.8
478.45084	0.4
487.24158	0.4
519.18604	0.8
549.19604	56.1
550.20013	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	549.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01870	0.7
57.03427	0.6
62.55193	0.3
65.03946	1.4
66.04712	0.4
67.05502	1.0
69.03431	3.0
69.98455	0.3
71.04952	0.5
73.02892	0.5
75.52377	0.3
79.05482	1.7
81.03413	1.8
81.07056	1.2
85.02904	5.0
85.06512	0.4
87.04460	0.7
91.05486	1.7
93.07034	0.6
94.04182	2.0
95.04974	1.4
95.08633	0.6
96.23546	0.3
97.02908	1.8
97.06499	0.4
98.23536	0.4
99.04465	0.5
103.05472	4.0
105.03385	0.6
105.07054	1.5
107.04946	1.5
107.08624	0.9
109.02875	0.5
109.06527	0.7
111.04438	0.6
112.79098	0.3
115.05447	2.2
117.07023	2.3
118.04187	1.1
119.04964	0.8
119.08613	0.6
121.06509	0.8
121.10166	0.7
122.03638	6.0
123.04437	1.1
125.06017	0.5
127.03925	0.9
131.04942	4.6
131.08542	0.3
133.02837	0.5
133.06480	1.5
133.10123	0.7
134.03595	0.4
135.04425	0.9
135.06580	0.3
135.08052	0.5
135.23975	0.3
137.05980	100.0
138.06345	1.1
143.04927	3.0
145.02887	0.9
145.04913	0.7
145.06499	2.8
147.04388	0.6
147.08037	0.5
147.11749	0.4
148.05197	2.5
149.05977	0.4
151.03912	13.9
151.05000	1.0
151.07593	0.4
153.05464	0.9
155.06027	1.3
161.06000	1.3
163.03918	3.8
163.06143	0.6
163.07538	4.7
165.05489	0.5
165.70871	0.3
167.07047	12.1
171.04346	0.3
171.06534	0.9
173.05980	5.1
175.07513	1.5
176.04715	0.4
177.05473	0.8
179.07103	0.7
181.04955	16.7
184.98753	0.3
187.07584	0.7
191.07034	17.4
193.08649	0.8
195.06519	0.5
203.07036	1.6
205.08591	2.8
207.10170	0.3
209.08128	0.5
217.08643	0.6
219.17416	0.3
220.17976	0.3
221.07994	0.5
233.08109	1.3
235.09647	2.8
247.07506	0.3
251.07022	0.4
263.09183	1.5
264.07748	0.4
276.07776	0.4
277.08685	0.4
287.05475	0.3
295.09680	0.3
307.09512	0.4
325.10544	0.6
337.10764	0.6
349.03854	0.3
351.12448	0.6
355.11832	0.6
357.13324	12.3
365.13889	0.3
369.13202	1.5
387.14395	9.8
388.14658	0.5
399.13904	0.3
419.65045	0.3
517.18640	1.2
519.18744	0.8
548.35077	0.5
549.19586	50.1
550.20105	2.3
571.63580	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.4
53.03925	0.5
55.01858	0.7
55.05501	0.4
57.03424	0.7
60.93925	0.4
65.03924	1.0
67.05498	0.7
68.31076	0.3
69.03424	3.5
70.01543	1.0
71.05013	0.3
73.02902	0.6
79.05476	1.1
80.92576	0.3
81.03411	1.1
81.07037	0.5
83.04969	0.7
85.02905	4.3
87.04411	0.3
91.05479	1.3
93.07083	0.7
94.04183	2.3
95.04957	1.2
95.08584	0.7
97.02896	2.4
97.06535	0.5
99.04443	0.4
105.07024	0.9
107.04967	0.9
107.08577	0.6
109.02860	1.0
109.06536	0.6
109.10170	0.6
110.03666	0.4
115.05444	1.4
117.07001	1.5
119.04938	0.5
119.08555	0.6
121.10122	0.7
122.03648	5.4
123.04439	0.7
123.08014	0.9
125.05982	0.8
127.03894	1.4
131.04932	0.4
133.10143	0.5
135.04402	3.5
135.08069	0.6
137.05972	100.0
137.09514	1.8
137.13203	0.4
138.06276	1.0
143.04944	3.2
145.04987	0.5
145.06467	2.7
145.10135	0.4
147.04404	1.3
147.08018	0.7
149.06007	0.5
149.09598	0.9
151.03909	2.7
151.07515	0.8
153.05469	1.3
153.09093	0.4
155.06059	0.5
160.05319	0.3
161.05971	0.6
163.03853	0.6
163.11105	0.7
165.05525	0.5
165.09105	4.0
165.12743	0.9
167.07042	9.3
167.10663	0.5
171.06593	0.8
173.05965	3.2
175.07527	1.3
177.05486	0.7
179.14276	0.6
181.04950	13.9
189.05302	0.9
189.06990	0.3
189.12779	1.8
191.07024	0.4
193.06979	0.4
195.06570	0.6
195.94873	0.4
203.07036	0.9
205.08647	1.8
207.13766	6.0
225.14856	5.0
233.08154	1.0
235.09711	3.2
240.40367	0.3
316.35394	0.3
357.13318	13.2
358.13654	0.4
387.14417	7.8
478.45084	0.4
487.24158	0.4
519.18604	0.8
549.19604	56.1
550.20013	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	549.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89361	2.1
53.03937	2.8
55.01868	4.0
55.05481	1.7
65.03929	20.4
67.05495	7.4
69.03410	5.6
69.99458	5.4
75.04489	2.9
78.04708	3.3
79.05489	10.3
79.31004	2.0
79.56607	2.0
81.03400	2.1
81.07047	8.5
82.04189	2.4
82.07404	1.7
83.04975	3.8
84.87009	1.5
85.02901	9.3
87.04471	2.4
91.05471	44.6
93.03401	13.1
93.07034	8.2
95.01308	3.0
95.04961	11.9
95.08601	16.2
96.08939	3.3
97.02886	5.0
97.06510	3.6
97.21921	1.7
98.22805	2.5
99.09136	1.8
103.05448	7.7
105.03381	8.1
105.04458	2.0
105.07035	19.8
106.04195	9.4
107.04961	17.5
107.08575	6.4
109.02808	2.1
109.06508	6.7
109.10164	2.0
110.03658	18.4
111.04442	24.0
115.03926	4.6
115.05459	4.5
117.03408	1.9
117.07002	5.2
119.04938	36.3
119.08566	3.8
121.06503	14.3
121.10156	2.8
122.03630	3.4
123.04430	3.4
123.11687	2.4
125.05990	23.6
126.08902	1.7
128.06213	5.1
129.06992	4.5
130.04079	1.9
131.04901	8.4
131.08595	2.0
133.02855	4.6
133.04938	4.4
133.06494	10.7
133.10144	3.2
134.03627	2.4
135.04391	5.3
135.11685	3.5
136.11981	1.9
137.05959	16.7
138.03114	1.8
143.51947	1.7
144.05649	2.8
145.06462	14.5
145.10152	3.1
146.07225	6.0
147.04378	18.3
149.05978	20.6
149.42583	2.2
151.03909	5.2
151.07529	13.2
151.11192	2.1
152.04681	2.8
153.05460	100.0
153.09015	4.7
153.12744	6.6
154.13034	2.9
155.04871	2.3
159.04453	2.7
159.08087	4.5
159.11613	3.1
161.05956	14.3
162.06779	4.0
163.03889	19.4
163.07497	3.1
165.05478	7.0
165.06909	2.0
167.03413	3.7
167.07036	44.4
167.08459	3.7
171.04355	2.0
172.05194	2.9
172.71068	1.9
174.06750	23.5
175.07509	14.0
177.05519	11.4
178.07733	3.6
179.07062	9.8
181.05023	4.4
181.08568	4.6
185.06010	3.1
186.06764	5.7
187.07513	13.5
189.07024	3.2
190.07684	3.5
191.06987	3.7
191.08546	8.7
194.07256	2.3
195.08185	2.4
196.08582	2.4
198.06776	2.9
199.07541	5.7
201.05449	2.0
201.16278	3.3
202.07741	3.0
202.16840	2.9
203.08482	5.9
204.07762	9.1
205.06500	3.8
206.07256	2.9
207.08035	4.5
208.08699	2.6
209.08061	25.5
215.06868	2.6
216.07796	16.1
217.08443	2.0
218.07269	5.8
219.08046	18.7
220.08806	8.8
221.05869	3.6
221.09584	4.0
229.06609	2.2
229.08638	20.5
231.08125	4.9
233.05965	3.9
233.09683	5.1
234.06680	5.2
235.07504	7.5
236.08305	9.8
246.06720	5.3
247.07516	11.6
248.08339	3.9
249.05402	3.3
249.09036	10.4
250.06099	2.7
251.10635	16.6
253.08551	2.2
261.09128	4.8
263.07147	7.5
263.10583	2.8
264.07816	20.8
265.08578	7.9
266.09338	1.9
275.07001	4.7
276.07770	4.4
277.08652	9.3
278.09354	6.4
279.10126	18.9
281.08112	3.0
281.11508	3.2
286.04529	2.8
287.05450	11.4
289.08493	2.8
290.09402	2.1
291.06696	1.9
292.07208	3.8
293.08014	5.1
293.11356	2.6
294.08777	3.1
297.11185	3.0
301.06842	2.7
305.08167	3.7
306.08862	3.3
307.09641	75.0
308.10297	14.1
309.11157	9.3
311.12781	4.4
319.09448	2.1
321.11334	8.8
323.12753	3.0
324.09802	2.8
325.10452	2.7
329.10367	2.4
337.10666	3.7
339.12231	92.7
340.13013	34.5
341.13696	8.0
351.12198	8.2
352.12927	6.1
411.91650	2.0
419.60220	1.9
499.17480	3.0
517.18488	2.6
548.34503	15.9
549.20215	7.9
549.35602	16.2
550.21881	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	549.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99723	0.8
55.05529	0.7
59.41855	0.7
60.08150	0.9
65.44090	0.7
67.05519	1.0
69.03439	1.7
69.07079	1.5
69.17047	0.6
71.07378	0.8
79.05513	1.2
81.03431	0.6
81.07067	3.4
85.02960	0.7
86.09711	6.8
91.05508	1.3
93.07076	1.3
95.08588	1.5
97.06550	0.9
98.22623	1.2
102.52465	0.7
104.10745	1.1
105.07053	2.0
107.08601	1.3
109.10155	1.6
115.03967	1.0
119.08623	1.3
121.10123	0.9
122.10469	0.7
123.11707	0.8
124.99991	4.0
125.09605	0.9
127.03976	0.9
135.11777	0.6
137.06001	0.9
151.04024	0.8
151.07553	0.7
153.01834	0.8
161.13263	1.0
163.17776	0.7
165.05496	1.3
167.07071	1.9
177.05449	0.7
181.04848	0.6
184.07339	19.8
184.08853	1.2
201.16513	1.1
202.16971	0.7
219.17548	1.5
220.17851	0.8
505.33246	0.7
548.32837	0.9
549.23096	100.0
550.23523	4.1
569.36499	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2334
Annotation	3,7-Dihydroxy-4,5-dimethoxy-8-prenylflavan 7-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03938	0.4
55.05509	0.6
57.03437	0.5
57.11184	0.3
57.24274	0.4
58.68582	0.3
65.03934	0.3
67.05500	1.1
69.03425	1.9
69.07061	0.7
69.22018	1.2
69.22443	0.7
71.04974	1.0
74.02538	0.3
79.05487	1.7
81.03416	2.8
81.07051	1.2
85.02898	2.2
85.06531	0.9
87.04461	0.7
89.03918	5.1
91.05467	1.4
93.07050	1.6
95.04971	0.9
95.08607	2.4
97.02879	1.3
97.06521	0.7
99.08092	0.4
103.05460	0.5
105.07023	3.5
107.04939	2.4
107.08584	2.1
109.02882	1.6
109.06502	0.8
109.10129	1.0
111.08124	0.5
115.03912	0.9
115.05334	0.5
117.03381	6.9
119.04969	0.4
119.08573	1.6
120.08135	0.4
121.06458	0.5
121.10142	1.3
122.03622	0.7
123.04427	0.4
123.08080	1.3
123.11694	0.4
125.09624	0.8
127.03911	0.9
131.04950	0.9
131.08580	0.7
133.02815	0.4
133.04988	0.6
133.06496	0.5
133.10147	2.2
135.04413	14.0
135.08055	0.3
135.11697	0.7
137.06024	3.0
137.09592	1.1
139.11053	0.5
143.10680	0.8
145.02849	10.0
145.03944	0.7
145.04874	0.5
145.10103	0.9
146.10408	0.4
147.04437	0.4
147.11633	1.6
149.09624	3.9
149.13324	0.5
159.11642	0.7
161.06001	0.5
161.13243	1.3
163.03902	100.0
164.04219	1.0
165.09106	1.0
167.07053	2.3
167.10703	0.6
167.14249	0.4
173.13232	0.6
177.05493	0.5
177.12798	0.4
178.04994	0.9
181.04984	4.1
183.10155	0.4
189.12732	2.4
191.07043	0.9
191.14230	0.4
198.93549	0.4
199.07503	0.3
201.16377	0.9
203.17970	0.4
206.04489	1.1
207.13797	5.3
217.08636	0.6
219.14001	0.3
219.17453	1.2
225.14874	1.5
237.18481	0.3
265.08707	0.5
271.05975	3.1
287.05566	0.8
305.08215	0.4
307.08072	3.4
319.09686	0.7
325.09158	4.7
337.10477	0.9
339.12268	0.7
351.12302	0.7
357.13199	1.3
369.13327	0.7
387.14160	0.7
549.17999	3.8
549.25818	1.2
549.33020	0.7
550.18970	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20598	0.6
54.63295	0.6
55.01870	1.0
57.03437	1.0
61.02930	1.4
67.05505	0.6
69.03421	3.9
69.66013	2.3
71.05021	0.7
73.02920	0.9
74.99580	0.8
79.05505	1.1
81.03415	1.5
85.02908	15.7
87.04460	0.9
89.03902	1.5
91.03973	0.9
95.01345	2.0
95.04954	0.8
97.02906	4.5
98.97610	0.7
102.63798	0.7
107.04945	2.1
109.02894	1.7
115.05450	0.8
117.03383	2.7
118.38325	0.7
123.04469	1.3
127.03916	2.4
131.04938	1.1
135.04404	9.4
137.02336	0.8
137.06006	0.8
138.03108	1.0
139.03918	4.9
141.01866	0.8
145.02832	7.5
145.04974	1.9
147.04395	5.5
149.02357	3.0
151.03937	0.8
153.05460	100.0
154.05811	1.1
161.05978	1.2
163.03899	98.1
164.04326	1.3
173.05980	0.7
175.03897	2.8
177.01860	4.3
177.03876	1.6
177.05464	3.0
181.04962	4.8
185.05888	0.8
187.03915	1.9
189.05472	2.1
191.03403	1.5
191.10686	2.5
195.06525	55.5
203.03377	48.6
204.03682	1.2
205.04939	5.4
213.05432	1.1
215.03423	6.6
217.05049	0.9
219.02805	0.9
221.04442	1.8
229.04944	1.9
231.02873	7.2
231.06479	0.8
233.04369	5.2
235.05971	1.4
239.09354	0.8
243.02739	0.7
245.04407	0.7
247.06038	0.8
257.04459	2.0
261.03940	7.9
275.05374	2.3
279.04980	14.4
291.04977	14.4
303.04935	1.9
321.02377	1.0
321.06061	10.3
339.07092	72.2
340.07544	0.9
341.29413	0.7
353.08472	1.8
357.08243	1.0
371.09677	9.0
371.13910	1.2
550.21417	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44213	0.7
55.05506	1.5
57.03419	2.4
59.05000	0.7
67.05500	3.0
69.03430	7.8
69.07053	1.5
69.16673	4.7
73.02917	1.5
79.05488	4.3
81.03418	2.0
81.07049	7.1
83.08591	0.8
85.02901	7.9
85.06526	0.8
87.04462	3.5
91.05474	2.7
93.07027	5.6
95.04975	4.0
95.08602	5.9
96.35220	0.7
97.02878	10.0
97.06574	0.8
100.11251	1.8
103.05454	1.9
105.07014	6.3
107.04960	4.7
107.08599	5.0
109.02869	6.0
109.06513	0.7
109.10168	5.0
110.26998	0.7
111.04474	0.8
115.03925	8.0
115.05473	2.0
119.04998	0.6
119.08582	5.8
121.06469	2.0
121.10149	2.8
123.04395	1.5
125.02357	2.0
127.03912	2.1
130.06523	15.0
131.04930	4.3
132.08083	1.4
133.04961	7.1
133.06467	0.9
133.10124	4.3
135.04396	1.8
135.11685	1.3
137.05989	1.4
145.04988	1.8
145.10161	0.8
146.05977	1.7
147.04305	0.7
147.11679	5.7
148.07594	1.8
149.05977	3.2
149.13333	0.8
151.03928	4.3
154.06514	0.6
158.06046	4.6
161.13287	3.0
163.03917	3.5
163.05988	0.7
163.13503	0.6
163.14789	4.1
164.04506	0.7
167.07214	1.5
168.08104	1.6
170.09663	1.1
172.07603	2.0
174.05453	1.1
175.14874	1.6
176.07056	2.2
177.05496	1.6
180.08099	3.8
182.05962	1.0
183.06749	1.7
184.07545	2.0
190.51724	0.7
192.08066	1.0
194.08194	1.3
195.06511	1.1
196.07544	5.3
197.08360	1.7
198.05719	0.7
198.09143	2.8
199.06239	1.2
200.07019	4.1
202.08563	2.0
203.14360	2.1
203.17932	15.5
204.08136	0.8
206.06166	0.8
206.09737	0.8
208.07552	10.8
208.11293	0.8
209.08199	1.5
210.09148	3.4
211.06303	1.7
212.07050	1.4
218.06009	0.9
220.07513	2.2
221.15388	1.9
221.19005	4.5
224.07077	2.0
224.10631	0.9
226.08611	33.0
228.06546	7.5
234.05435	0.8
234.09108	1.7
235.06230	0.8
236.07048	21.2
236.10742	1.6
237.07674	2.4
238.08643	4.2
248.07066	2.1
250.12201	1.3
252.10207	1.4
254.08109	8.7
254.11708	5.2
259.08133	1.3
260.10706	2.9
262.05020	12.1
262.08658	1.7
263.09412	0.8
264.06534	17.2
264.08813	0.7
266.08047	0.9
272.09216	3.0
274.08716	1.0
278.11755	6.0
280.06055	2.4
280.09698	4.1
282.07642	25.5
282.11212	3.1
284.09018	0.9
288.05908	1.4
288.10153	2.8
289.10867	0.8
290.11829	0.9
295.10251	1.4
296.12943	1.3
300.08701	40.4
300.12271	4.2
306.11200	5.0
308.09232	1.2
316.09814	2.3
318.09692	15.7
324.12280	5.0
326.10141	2.6
334.10690	6.0
342.13510	0.8
352.11780	30.7
353.12131	1.3
370.12848	52.5
371.13159	1.9
388.13892	100.0
389.14246	3.2
418.54288	0.7
482.22202	0.7
488.48993	0.7
531.38898	1.1
532.17816	1.9
532.39258	0.9
549.33850	4.1
550.20410	0.9
550.35339	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	550.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.05505	0.8
57.03443	0.3
57.07066	0.6
58.52884	0.2
60.63304	0.2
61.02919	0.6
65.03958	0.3
67.05499	1.8
69.03422	1.2
69.07063	1.2
71.45428	0.3
79.05487	2.0
81.03408	0.6
81.07056	2.4
83.08619	0.3
85.02908	3.2
85.06565	0.3
91.05479	8.2
93.07034	1.9
95.04965	0.6
95.08586	1.0
97.02882	0.8
97.06569	0.2
103.05443	0.8
105.07026	8.9
107.04948	0.6
107.08578	2.0
109.02893	0.3
109.06497	0.4
109.10166	0.6
115.05420	1.3
116.06231	2.0
117.07024	3.3
119.08580	13.1
121.06541	0.2
121.10140	2.1
122.67948	0.2
123.08020	0.5
127.03925	0.8
128.06210	1.3
129.06999	5.6
130.07782	2.5
131.08565	23.5
133.10124	7.0
135.08051	0.6
135.11676	0.5
137.09634	0.3
141.06961	0.3
142.07726	0.6
143.08560	15.1
144.09348	4.8
145.04938	0.7
145.10121	14.0
147.04439	0.7
147.11682	2.0
149.09615	0.4
149.13280	1.2
156.09337	0.7
157.10138	0.6
158.10907	16.8
159.11293	0.2
163.03899	0.6
163.14790	0.3
165.05446	0.2
167.07022	0.5
171.11703	0.7
173.13254	100.0
174.13559	1.4
175.14813	11.7
177.05498	0.3
179.06894	0.2
181.05016	0.3
191.14304	20.1
192.14674	0.6
193.15834	0.7
207.13954	0.3
208.13818	0.2
209.15335	1.5
242.95543	0.2
279.08755	0.3
353.19424	0.7
391.72821	0.2
550.19397	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.5
56.05033	0.7
57.03426	0.3
57.07055	0.3
58.06358	0.2
58.06613	0.5
60.08163	6.4
60.37342	0.2
67.05504	0.9
69.03423	0.7
69.07066	0.9
71.04987	0.4
71.07365	3.0
71.45507	0.2
79.05477	1.0
81.03398	0.3
81.07051	3.8
83.08604	0.4
85.02899	0.8
85.06532	0.4
86.09701	30.8
87.04452	0.5
90.67867	0.2
91.05486	0.9
93.07024	2.1
93.72906	0.2
95.04961	0.5
95.08585	2.3
97.02873	0.7
97.06548	0.4
97.10137	0.3
98.98458	2.9
104.10735	4.1
105.07025	2.5
107.04942	0.3
107.08585	2.1
109.06508	0.5
109.10163	1.9
111.08043	0.6
113.09660	0.4
115.03938	0.6
117.07088	0.2
119.08566	2.0
121.06429	0.3
121.10108	1.3
123.08051	0.3
123.11689	1.1
124.99998	21.8
125.09643	0.2
127.03982	0.4
127.07590	0.2
127.11209	0.5
131.08578	0.3
133.04961	0.7
133.10136	1.7
135.11671	1.2
137.06013	0.3
143.01030	0.3
145.10085	0.3
147.11688	1.5
149.13219	0.4
151.11159	1.2
153.12651	0.3
159.11674	0.4
161.13309	0.7
163.11159	0.4
163.14812	0.4
165.12770	0.5
184.07332	100.0
185.07614	0.9
203.17978	2.1
215.12810	0.3
221.19022	1.4
232.48572	0.2
239.20044	0.4
245.78786	0.2
258.11118	0.2
290.69186	0.3
317.24802	0.5
335.25705	2.3
353.26825	1.3
368.73651	0.3
405.54559	0.2
452.23602	0.4
480.20166	0.2
514.28644	0.4
532.30316	1.4
550.22992	2.9
550.31189	3.1
551.23694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.3
56.05032	0.7
58.06631	0.5
59.07379	0.2
60.08163	6.1
67.05488	0.4
69.07070	0.2
70.06592	0.3
70.09152	0.5
71.07374	3.2
79.05489	0.4
81.07054	0.6
85.02918	0.3
86.09704	33.3
91.05473	0.3
93.07039	0.4
95.04941	0.2
95.08598	0.3
98.98460	3.0
104.10742	4.1
105.07031	0.4
107.08608	0.4
121.10129	0.3
123.11765	0.2
125.00000	22.7
143.00980	0.2
147.11678	0.3
174.74210	0.2
184.07335	100.0
185.07645	0.3
198.37576	0.2
221.19037	0.2
258.11017	0.3
367.84088	0.2
452.23785	0.8
532.30463	1.1
550.31256	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	550.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52693	0.1
55.05507	0.2
56.05040	0.7
57.03438	0.2
58.06630	0.4
59.07375	0.2
60.08166	7.1
67.05492	0.3
69.07075	0.2
70.06599	0.2
70.50021	0.2
70.50343	0.1
71.07378	3.4
75.21761	0.1
79.05492	0.3
80.97473	0.1
81.07040	0.2
86.09708	31.8
87.10039	0.2
93.07026	0.2
95.04997	0.1
98.98468	3.4
104.10747	4.1
105.06995	0.1
109.10175	0.1
125.00006	22.0
131.02968	0.1
143.01044	0.3
150.34755	0.1
184.07346	100.0
185.07669	0.5
258.11078	0.3
288.21616	0.1
293.21136	0.1
309.56213	0.1
399.54987	0.1
423.23944	0.1
514.25006	0.1
516.30603	0.2
532.30383	1.0
550.31464	7.6
551.32312	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	550.314
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.6
58.06622	0.5
58.12364	0.2
60.08164	6.1
63.24919	0.2
67.05527	0.2
69.83629	0.6
70.06632	0.2
71.07375	2.5
79.05482	0.4
86.09704	29.1
93.07037	0.2
95.08626	0.2
98.98468	2.6
104.10735	3.5
124.99028	0.4
124.99998	19.5
184.07336	100.0
185.07590	0.8
206.25708	0.2
273.80313	0.2
328.80908	0.2
446.22766	0.5
464.24167	2.7
516.30682	1.1
550.31470	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.2
56.05033	0.5
58.06599	0.4
60.07869	0.4
60.08162	6.3
67.05512	0.2
69.56126	1.0
71.07377	3.0
72.08138	0.3
79.05486	0.2
86.09702	30.8
95.08623	0.2
98.98462	2.8
104.10741	4.0
107.08563	0.4
124.99997	21.0
143.00980	0.3
144.48004	0.2
148.80847	0.2
184.07335	100.0
185.07581	0.3
191.71988	0.2
252.36662	0.2
258.10907	0.4
321.53442	0.3
532.30328	1.3
550.18134	0.2
550.31384	5.4
551.27972	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02090	0.2
55.05513	0.5
56.05034	0.6
57.03435	0.4
57.07073	0.2
58.06632	0.6
60.08163	6.5
60.56206	0.2
67.05503	0.7
69.03429	0.6
69.07072	0.7
70.06607	0.2
71.05016	0.3
71.07370	2.7
73.02949	0.2
79.05493	0.8
81.03410	0.2
81.07055	2.5
82.12390	0.2
85.02901	0.7
85.06551	0.3
86.09705	29.1
87.04478	0.3
87.10050	0.2
91.05495	0.7
93.07035	1.3
95.04974	0.3
95.08620	1.3
95.78746	0.2
97.02903	0.7
97.06521	0.4
97.10133	0.3
98.98465	2.9
99.04429	0.2
104.10744	3.7
105.07030	1.3
107.08585	1.3
109.06504	0.3
109.10163	1.3
112.55733	0.2
115.03954	0.3
119.08601	1.3
121.10156	1.0
123.08049	0.2
123.11712	0.6
125.00002	20.6
131.08543	0.2
133.04985	0.4
133.10126	0.9
135.11681	0.9
137.13258	0.3
143.08539	0.2
145.10115	0.2
147.11668	1.1
149.09621	0.2
149.13187	0.2
151.11266	0.9
153.12715	0.3
154.90213	0.2
161.13295	0.5
184.07335	100.0
185.07709	0.9
203.17900	1.2
215.12665	0.2
221.18951	0.9
239.20032	0.4
258.10837	0.2
317.24777	0.8
335.25797	1.9
353.26883	0.8
416.15695	0.2
434.22269	0.2
452.23813	0.2
460.06308	0.2
514.29028	0.6
532.30334	1.8
550.22931	3.3
550.31299	3.0
551.23108	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05346	1.4
52.12766	1.3
53.03930	1.8
55.01866	1.8
55.05504	9.4
57.03436	23.0
57.07071	2.0
59.04986	3.9
61.02924	5.0
64.40923	1.5
65.03937	2.0
67.05502	26.0
69.03065	3.3
69.03427	46.5
69.07062	8.0
69.35265	4.5
69.35657	2.7
71.04998	2.3
73.02914	27.0
79.05489	16.6
81.03425	3.9
81.07055	49.4
83.04967	3.1
83.08611	3.9
85.02901	50.0
85.03417	2.9
86.09687	2.4
87.04466	28.3
91.05476	19.2
93.07040	33.2
95.04930	5.1
95.08607	56.8
97.02262	2.4
97.02884	46.8
97.06512	2.6
99.04460	2.5
103.05480	3.4
105.04542	2.2
105.07026	64.2
105.07744	3.6
106.07348	1.5
107.08592	55.1
107.33089	1.5
109.02909	2.6
109.06490	4.5
109.10153	45.5
111.11732	1.9
115.03929	50.5
117.06996	2.9
119.08575	45.6
119.34030	1.6
121.06465	1.7
121.10127	20.3
123.11697	12.5
125.00022	2.2
127.03921	7.4
128.98273	1.6
131.08583	2.9
133.04967	45.3
133.10123	28.1
135.11700	13.8
145.04926	9.1
145.10117	6.1
147.11676	48.6
149.13257	5.1
159.11668	4.3
161.13251	17.2
163.05951	2.9
163.14816	8.1
167.07050	2.4
171.11607	1.8
173.13354	1.7
175.14822	9.4
181.10370	1.5
183.11644	2.1
184.07352	5.3
189.16344	4.2
193.05054	2.0
201.16382	6.4
203.17941	100.0
204.53268	1.7
215.18028	3.1
221.19043	9.9
227.17952	2.6
241.06972	2.1
245.19040	1.8
256.00580	1.5
259.08102	3.1
295.10336	4.3
299.20035	2.5
335.22092	3.0
335.25766	2.4
550.31915	2.4
551.24384	3.4
567.62939	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.6
55.01863	4.8
55.05507	19.3
57.03420	6.5
57.07055	3.2
59.04985	3.8
60.08158	2.5
65.03931	4.5
67.05494	38.1
69.03432	24.3
69.07066	25.5
71.04984	3.9
72.40103	1.9
73.02926	4.0
75.04444	1.7
77.03929	1.8
79.05489	24.8
81.03413	5.1
81.07052	69.4
83.04976	3.6
83.08621	9.4
84.05784	2.0
85.02905	24.8
85.06534	7.7
86.09710	4.8
87.04469	13.1
89.16794	2.3
91.05478	38.7
93.07040	100.0
95.04987	10.7
95.08601	70.8
97.02879	20.6
97.06537	3.9
97.10175	4.3
99.04470	2.3
103.05421	3.1
105.04531	2.3
105.07027	80.4
106.07351	2.8
107.04961	3.3
107.08586	61.5
109.02885	4.4
109.06516	6.0
109.10148	88.4
111.08062	18.3
111.11628	1.9
115.03905	28.4
117.06995	3.0
119.08571	57.7
121.06537	2.8
121.10130	37.6
123.08087	4.2
123.11703	13.3
124.99873	1.9
125.09628	3.6
127.03917	5.3
131.08568	3.9
133.04958	32.1
133.10117	31.2
135.08029	3.6
135.11685	63.3
137.05943	6.6
137.09636	2.6
139.11137	4.2
145.04947	6.3
145.10109	9.6
147.04465	2.0
147.11678	80.9
149.13240	8.8
150.07533	2.7
151.03923	2.3
151.07413	2.1
153.05481	4.3
159.11714	3.6
161.13228	22.8
163.03893	6.7
163.06023	2.4
163.14786	5.1
165.05568	2.6
165.12766	3.1
166.05925	2.0
167.07047	7.8
173.13123	2.9
175.14816	11.9
177.05420	2.2
177.16360	2.1
184.07344	11.5
191.14258	5.6
203.14294	4.1
203.17940	81.3
209.15286	3.2
221.15347	3.6
221.19016	16.9
259.08090	4.3
295.10187	7.5
308.09796	2.9
331.06079	2.2
335.22150	4.4
340.12997	2.3
350.54572	1.9
533.25714	6.4
550.20557	8.0
550.40228	3.3
551.22424	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	550.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.2
52.98026	1.1
53.03949	2.3
54.69745	1.0
55.01862	1.8
55.05275	1.4
55.05507	9.3
55.11763	1.0
57.03440	6.9
57.07061	2.3
59.04981	1.8
60.08162	1.7
61.02930	1.3
63.13265	1.1
64.48431	1.0
65.03915	1.4
67.05498	32.2
69.03422	25.5
69.07063	16.9
69.19741	6.7
71.04987	2.3
71.39259	1.5
73.02911	3.2
77.03918	1.1
79.05485	13.5
79.25739	1.1
81.03414	2.9
81.07054	45.5
83.04983	2.2
83.08614	4.3
85.02897	22.1
85.06525	2.5
86.09695	7.3
87.04462	16.5
89.15284	1.3
91.05470	19.7
93.07040	58.7
95.04958	7.5
95.08604	52.4
95.09213	2.7
97.02885	21.1
97.06506	1.2
97.10128	1.6
98.22679	2.6
99.04425	2.9
103.05467	2.1
104.10791	1.0
105.04543	2.4
105.07028	46.6
107.04963	3.2
107.08589	48.6
109.02881	2.0
109.06534	2.0
109.10149	100.0
111.08030	6.2
113.37930	1.2
115.03934	26.1
117.07014	1.4
119.08576	39.3
121.06513	2.6
121.10133	26.2
123.04417	1.3
123.08060	1.4
123.11695	10.5
124.99977	5.3
125.09659	1.8
127.03905	3.4
131.08559	3.7
133.04961	29.3
133.10123	23.3
135.11688	43.7
137.05948	8.3
137.09654	1.6
137.13185	1.2
143.08528	1.1
145.04967	4.8
145.10106	5.1
147.04369	1.7
147.08044	1.7
147.11674	51.5
149.13205	2.2
151.03944	1.4
151.11162	2.7
153.12758	1.2
157.10155	2.0
159.11700	3.7
159.21515	1.1
159.78616	1.2
161.06012	1.1
161.13254	13.0
163.03900	5.6
163.11203	2.7
163.14819	3.5
165.12766	2.6
167.07007	2.0
173.13193	2.0
175.14780	6.3
177.16377	1.6
184.07329	28.7
191.14287	2.1
201.16396	1.6
203.17941	73.8
209.15398	2.4
215.18105	1.8
221.19003	7.4
239.20030	4.7
245.81587	1.3
259.08072	2.8
277.08893	1.8
295.10080	3.1
335.22095	3.3
353.22958	1.2
533.25873	5.1
550.21802	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	550.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.6
53.65952	1.5
55.01878	5.2
55.05512	19.5
57.03410	1.6
65.03947	2.1
67.05505	19.0
69.07076	9.0
69.11756	1.5
69.89359	5.1
71.04987	2.2
73.12141	1.2
79.05489	19.4
81.03425	6.0
81.07058	21.1
83.04984	4.9
83.08624	18.6
85.06567	1.9
86.09708	1.9
86.11665	1.5
91.05479	24.3
93.07048	20.8
95.04968	21.4
95.08600	16.5
97.06535	4.7
97.10174	4.9
105.07029	21.3
107.04946	7.8
107.08588	15.2
109.06564	2.7
109.10148	7.7
111.08064	2.8
117.07029	8.7
118.26793	1.5
119.08585	17.0
121.06506	5.5
121.10165	10.3
123.08061	4.0
125.00027	1.5
125.09653	4.9
129.07021	2.3
131.08568	11.8
133.10106	20.6
135.08047	3.2
135.11694	7.4
137.09653	3.0
141.07086	1.6
143.08562	3.7
143.57765	1.5
145.06514	3.2
145.10110	17.9
147.08083	2.1
147.11702	11.5
149.09622	19.2
151.11194	2.5
155.08559	2.8
159.11699	8.7
161.13242	3.8
163.11177	27.3
165.12781	2.4
169.10103	3.9
171.11713	2.2
173.09647	2.9
173.13315	2.9
175.11276	2.5
177.12759	3.6
183.11719	3.3
184.07245	7.0
187.11217	4.2
189.11224	4.3
201.12706	1.8
205.12254	1.9
223.13301	21.3
229.19441	3.2
239.18056	10.1
257.18985	14.2
275.20059	100.0
276.20654	1.4
293.21100	43.1
405.24332	1.5
544.75085	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3875
Annotation	1-O-(cis-9-Octadecenyl)-2-O-acetyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05505	0.7
56.02257	0.3
56.05030	0.7
58.06622	0.5
59.56305	0.3
60.08165	5.6
63.26498	0.3
69.07048	0.6
69.64846	1.6
71.07367	3.1
84.11901	0.3
86.09704	29.6
89.85409	0.4
97.10133	0.4
98.23475	0.8
98.98478	2.8
104.10744	2.7
109.45242	0.4
124.99998	19.7
135.11697	0.4
143.01047	0.4
184.07336	100.0
185.07646	0.7
258.10785	0.4
532.37494	1.2
550.38544	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	551.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
53.03939	0.6
55.01857	0.4
55.05503	0.4
56.44452	0.2
57.03426	0.4
59.36530	0.2
67.05500	0.8
69.03429	1.7
69.07057	0.3
71.04985	0.6
77.03889	0.3
79.05495	2.2
81.03419	4.1
81.07050	1.2
83.08607	0.2
85.02917	1.2
89.03912	5.6
89.19142	0.3
91.05470	0.9
93.07045	1.0
95.04975	1.9
95.08616	0.6
97.02882	0.7
98.23512	0.5
99.04461	0.7
103.05445	0.8
105.07008	0.8
107.04955	6.8
107.08595	0.6
109.02877	4.6
109.06541	0.3
109.10136	0.5
110.09598	0.3
111.04433	0.3
117.03373	6.9
119.04917	0.4
119.08590	0.5
121.06506	0.9
121.10116	0.5
123.04426	0.7
123.11710	0.5
127.03923	0.7
131.04955	0.4
133.10037	0.3
135.04413	14.2
135.08032	0.3
137.05986	1.2
138.09084	0.5
139.03900	1.2
144.89761	0.3
145.02847	11.2
147.04468	0.3
147.11687	0.4
149.06004	1.3
151.03909	1.0
153.05466	0.7
153.09012	0.3
161.05916	0.3
163.03899	100.0
163.49249	0.2
164.04210	1.3
165.05475	3.9
166.08669	0.5
167.07042	2.9
177.05481	3.4
181.04948	3.8
195.06503	0.7
203.18047	0.4
209.08067	2.6
221.18945	0.3
227.09035	0.4
236.09453	0.4
237.10188	0.8
249.10347	0.3
250.10837	0.4
264.08942	0.3
273.35928	0.3
277.09802	0.3
279.11066	0.3
293.09277	1.3
293.12271	0.3
295.20816	0.3
307.08066	4.5
307.11124	0.5
310.62204	0.3
325.09058	4.1
340.13226	0.4
351.10013	0.4
398.14236	0.5
478.19421	0.7
551.22418	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	551.27
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10271	1.1
52.69109	1.2
55.05505	5.1
57.03441	6.3
57.07069	2.1
57.41060	1.0
59.05002	2.0
61.02924	4.3
64.65845	1.1
67.05493	5.9
69.03432	11.7
69.07069	6.0
71.00682	1.5
71.04988	4.1
73.02900	1.3
79.05499	5.1
81.03426	3.6
81.07060	14.9
83.04981	7.6
83.08627	5.0
85.02902	60.4
85.06542	4.0
87.28043	1.2
91.03970	1.9
91.05486	6.9
93.07045	11.1
95.04967	22.7
95.08591	8.2
97.02888	13.6
97.06530	26.2
99.04455	6.7
99.08100	4.4
105.07032	21.3
107.08588	17.5
109.02888	5.6
109.06516	45.5
109.10162	11.9
111.08096	4.6
113.05991	1.6
113.09684	1.8
115.05391	1.5
115.07573	11.7
117.07027	1.9
117.24803	1.2
119.08597	12.8
121.06519	2.4
121.10132	22.8
123.08052	5.8
123.11723	5.2
124.52353	1.2
125.09663	2.1
127.03922	13.4
127.07565	2.2
129.96297	1.2
131.08556	11.3
133.06483	4.3
133.10124	52.0
135.08028	7.5
135.11700	5.0
137.06013	2.2
139.11188	3.1
145.04950	19.1
145.10153	4.6
147.11681	33.9
149.09573	1.9
149.13239	7.1
150.92973	1.4
151.11191	5.4
152.14702	1.3
153.09113	17.5
158.10950	3.1
161.05914	5.7
163.03925	3.5
163.05983	8.9
163.14818	8.1
165.12772	6.5
167.14352	2.4
171.10150	3.9
173.13258	27.1
174.13663	1.8
191.12569	2.0
191.14296	37.0
191.15953	2.3
193.08601	5.3
197.95857	1.5
209.15364	100.0
227.16412	86.6
256.58905	1.3
256.61639	1.2
339.80643	1.1
371.20804	1.7
389.21729	2.5
514.21198	1.3
529.49902	1.2
551.21954	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	551.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.05510	11.3
57.03427	5.8
57.07075	3.3
59.05014	3.3
61.02933	1.9
65.03970	2.1
67.05513	8.7
69.03427	27.9
69.07070	11.7
69.19791	8.7
71.04991	20.2
73.02914	3.6
74.29666	1.8
76.97103	1.8
79.05491	19.2
81.03402	2.9
81.07057	89.1
82.07403	2.2
83.05017	1.8
83.08629	5.8
84.03046	1.7
85.02910	25.4
85.06561	2.6
86.09701	1.8
87.04472	16.0
91.05489	11.5
93.07040	30.4
95.04965	8.3
95.08607	26.5
97.02885	26.1
97.06522	4.0
97.10190	3.7
99.04491	2.5
99.08092	4.8
101.21728	1.6
103.05470	2.9
105.07031	27.6
107.04945	3.0
107.08593	50.3
109.02875	6.2
109.06567	2.6
109.10146	31.4
111.04467	1.9
111.08080	1.9
114.32501	1.7
115.03930	29.5
117.07007	2.7
119.08571	42.9
121.10131	12.6
122.03688	1.7
123.04450	3.7
123.11699	20.1
125.02354	2.3
125.09640	11.8
125.13095	1.7
127.03948	5.6
127.11198	21.7
131.08582	4.8
133.04976	29.9
133.10123	32.5
134.10429	3.1
135.08104	2.1
135.11693	100.0
136.12006	3.5
137.05959	10.5
137.09570	2.2
137.13260	7.0
138.06274	2.2
139.11188	2.4
141.12708	2.4
143.08786	2.0
143.10678	45.7
144.11011	2.0
145.04968	6.2
145.10150	3.3
147.11690	23.1
149.13280	6.5
151.03900	7.9
151.11214	2.3
153.12738	5.0
159.11676	3.8
161.13248	16.5
163.03906	11.9
163.06036	2.9
163.07469	1.9
163.14839	7.3
165.12776	2.7
167.07063	6.8
171.11615	1.9
173.43619	1.7
175.14867	4.4
177.05447	4.9
177.16313	2.3
181.04999	4.1
185.13329	1.9
189.16386	2.2
193.15848	1.8
195.06526	4.6
203.17946	62.2
204.18303	3.6
221.18991	85.9
222.19333	6.6
239.20091	8.6
259.08157	2.6
295.10272	2.7
353.23242	3.7
371.14645	2.2
421.95798	1.7
441.61993	2.2
469.28537	1.8
501.50049	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	552.2079
Annotation	Ipecosidic acid
Peak:m/z	Relative Intensity
53.03947	2.8
55.05515	2.0
56.05034	1.2
56.38168	1.0
57.03438	3.3
61.02927	3.9
65.03942	5.6
67.05514	2.1
69.03432	16.3
69.07074	2.3
71.01351	1.4
71.05001	3.4
71.43906	1.1
73.02926	3.1
77.03898	1.0
79.05500	12.8
81.03416	5.6
81.07065	6.1
83.04987	1.2
83.08634	1.8
85.02906	17.3
85.06550	1.4
86.09702	0.9
87.04475	5.0
91.05482	100.0
92.05867	1.0
93.03414	2.3
93.05804	1.2
93.07041	6.6
94.06593	1.1
95.01376	1.1
95.04964	6.1
95.08616	2.5
97.02892	11.8
97.06551	1.4
97.10180	1.0
99.03381	1.1
99.04477	2.9
100.11255	6.7
103.05471	26.1
105.04510	2.1
105.07030	8.1
106.06551	1.3
107.04955	13.8
107.07409	1.0
107.08612	3.5
109.02909	3.6
109.10171	2.2
111.04458	2.1
115.03947	2.1
115.05489	1.2
117.03392	2.1
117.07092	1.0
118.06548	4.7
119.04953	4.2
119.07365	0.9
119.08590	5.3
119.09306	0.9
120.08099	7.3
120.08865	1.2
121.02877	2.7
121.06515	6.2
121.10154	1.8
122.06040	1.7
123.04537	1.3
123.11735	1.0
124.03973	2.9
125.09596	1.6
125.64552	0.9
127.03906	5.9
127.11203	1.4
130.06535	2.5
131.04919	13.1
132.08090	1.3
133.05070	2.0
133.10132	2.9
134.06044	2.1
135.04446	3.6
135.06822	2.3
135.11723	1.9
136.07547	6.8
136.11948	1.0
137.06000	4.2
138.09247	1.0
139.03899	2.3
145.02844	5.7
145.04985	1.8
145.10135	1.3
146.06085	1.2
146.09634	1.4
147.04376	4.4
147.11719	2.8
149.02394	1.5
149.06035	7.0
151.03954	2.4
153.05446	4.8
159.04446	2.8
159.11705	1.1
161.06024	1.1
161.13232	1.0
162.05557	2.7
163.03886	9.9
163.06197	1.0
163.07539	1.4
164.04288	3.4
164.07086	2.9
165.05496	2.6
165.50352	0.9
166.08694	1.5
167.07100	3.0
169.74495	0.9
175.03947	1.2
175.14833	1.5
176.07094	1.3
177.05435	6.2
178.05032	0.9
178.08607	1.0
179.07083	1.1
180.06628	1.6
181.04965	11.2
182.04364	0.9
182.15388	2.0
189.05478	6.4
191.07051	3.0
192.06567	1.6
192.10181	1.3
193.07384	1.2
194.08197	1.2
196.11246	4.0
197.08125	1.3
205.05022	1.4
206.08122	1.2
207.06577	3.8
208.11320	1.3
210.14922	3.5
211.06015	1.1
216.10144	1.3
218.09703	2.2
221.18951	1.3
223.16969	3.2
228.10229	1.2
236.10754	3.7
238.12202	2.1
242.11737	4.6
249.07660	1.0
258.11304	2.2
264.10312	5.8
266.11649	1.6
270.11295	7.1
272.09161	1.6
273.12543	0.9
274.22318	1.0
278.11884	2.3
282.11343	1.6
284.12750	5.2
288.12277	1.6
296.12997	2.3
298.14551	1.2
310.10812	2.7
312.12262	9.5
322.10852	1.1
324.12616	1.1
326.10181	1.0
326.13983	3.2
328.11646	1.3
340.11697	4.4
342.13351	7.8
344.14908	17.5
354.13568	2.5
356.15149	1.0
358.12857	7.9
372.14429	29.6
390.11075	1.0
390.15460	52.0
506.20294	17.8
534.19592	11.1
552.20776	54.4
552.29425	2.2
552.44690	12.8
553.20270	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05534	0.5
67.05480	0.8
69.03423	0.8
69.07092	0.7
69.24694	0.4
69.33661	0.5
69.34354	2.2
76.87367	0.5
79.05519	0.6
81.07053	1.7
85.02892	1.3
91.05500	0.8
93.07047	1.8
94.06572	1.5
95.07351	1.5
95.08614	1.0
96.08129	3.3
97.02865	0.7
100.11272	0.7
105.07018	1.2
106.01029	0.5
107.05009	0.6
107.08577	1.6
108.08142	3.0
109.08922	0.6
109.10126	0.7
110.09675	5.4
115.03957	0.9
119.08618	0.9
120.04477	2.9
120.08109	3.8
121.10124	0.8
122.06031	0.9
123.08202	0.6
123.11659	0.5
124.07596	0.7
125.04547	0.5
132.05240	0.6
133.10167	0.8
135.04460	0.8
135.11737	1.1
136.07591	2.6
136.12091	0.5
137.05957	0.9
138.09148	7.4
145.10095	1.2
146.05994	0.7
148.07593	1.1
150.09152	1.2
152.07063	1.2
163.03926	2.5
164.04233	0.8
164.07094	0.6
166.08627	7.2
187.14839	0.5
196.09734	0.6
196.18147	0.5
204.18280	0.5
205.15926	0.8
209.10773	0.6
213.10188	1.0
215.14590	0.5
219.09042	0.5
220.09886	0.5
222.19206	0.5
223.08771	1.0
223.12283	0.6
224.09395	0.9
225.10260	2.2
226.11058	0.8
233.15344	0.6
235.08771	0.7
235.12462	0.5
236.09320	1.0
237.10246	5.6
238.10986	1.4
239.08186	1.4
239.11781	2.7
241.09801	0.7
245.12943	0.6
248.09367	1.1
249.10356	4.5
250.11096	1.9
251.08113	3.3
251.11809	4.9
252.08905	0.6
252.12570	1.5
253.09709	3.7
254.10742	0.7
255.11177	0.7
261.10300	1.9
262.11096	0.8
263.11795	2.8
265.09726	8.5
266.10526	1.7
267.11279	4.1
268.12210	0.6
271.10825	1.2
276.08887	0.7
277.09708	2.1
278.10458	2.9
279.07675	3.0
279.11322	7.2
280.12170	1.5
281.09241	2.0
281.12662	1.2
283.10748	6.5
285.12433	0.8
287.13971	1.5
289.09543	4.5
290.10278	0.8
291.07986	0.6
291.11292	1.4
293.09192	2.0
293.12897	4.2
294.09967	4.5
295.10922	2.9
296.11624	2.2
297.12402	1.6
299.10294	1.9
305.09329	0.6
306.09818	1.0
307.10855	1.9
308.11642	0.7
309.12259	2.5
311.10248	4.3
311.13922	1.8
312.10876	2.7
313.11969	1.7
314.12640	1.2
317.09250	0.6
321.12393	0.7
323.10312	0.8
323.13882	1.1
324.11148	1.7
325.11871	0.9
326.12552	3.6
327.13327	5.7
328.14215	0.7
335.10220	7.5
337.11841	0.9
339.13403	41.7
340.10556	1.8
340.13950	1.7
352.10541	1.3
354.12076	3.4
355.12872	12.3
367.12875	28.4
371.12347	0.7
373.27316	1.0
391.28537	1.5
399.15530	0.7
447.18079	0.6
460.18414	1.1
461.19540	0.6
479.20499	2.3
488.18207	12.9
489.18900	0.8
492.21399	4.3
520.20782	100.0
521.20862	4.0
552.23376	10.3
552.31152	1.0
552.44519	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99023	0.2
55.05500	0.3
56.05005	0.7
58.06596	0.5
60.08162	6.1
67.05492	0.6
69.03413	0.4
69.07039	0.4
70.06571	0.3
71.04979	0.2
71.07376	2.9
71.20167	0.2
75.68281	0.2
79.05476	0.4
81.03387	0.2
81.07045	1.1
83.04951	0.2
83.08620	0.4
85.02882	0.4
85.64141	0.2
86.09701	29.3
87.10033	0.3
91.05511	0.3
93.07043	0.8
95.04897	0.3
95.08594	0.6
97.02856	0.2
98.98474	2.5
101.09619	0.2
104.10740	3.7
105.07065	0.4
107.08587	0.7
109.06510	0.3
109.10136	0.5
111.04429	0.3
115.03936	0.4
116.74578	0.2
119.08566	0.3
121.10124	0.3
123.11717	0.4
124.99999	20.8
127.07585	0.2
131.04977	0.3
133.10155	0.2
135.11763	0.3
137.05965	1.8
143.00880	0.2
145.10130	0.2
146.25179	0.2
147.04410	0.6
147.11740	0.4
149.09621	0.2
163.03873	0.3
163.07533	0.3
163.14825	0.3
164.06987	0.2
167.07082	0.3
173.13266	0.2
184.07333	100.0
185.07767	0.5
203.17947	0.3
204.18387	0.3
206.08191	0.2
223.16995	0.7
241.18124	0.3
258.11389	0.4
337.14478	0.2
355.15652	0.6
492.24115	0.3
534.28107	1.4
552.29950	9.6
553.27209	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01846	1.2
55.05514	8.6
55.44030	1.0
57.03441	2.0
67.05510	3.7
69.03445	6.3
69.07068	12.2
69.80090	3.2
69.80434	1.2
71.04995	8.8
73.02914	3.2
78.59961	1.0
79.05489	3.4
81.03413	1.7
81.07056	10.2
83.04971	1.4
83.08627	6.3
85.02905	11.9
87.04473	3.2
91.05492	14.1
93.07034	5.7
95.04964	3.2
95.08618	10.6
97.02885	6.0
99.04454	1.9
105.07032	22.9
107.04944	1.2
107.08598	17.0
109.02894	1.8
109.06543	2.2
109.10161	3.0
115.03944	4.5
117.07026	5.1
119.08584	96.6
120.08919	1.9
121.06512	1.8
121.10142	6.0
123.08088	2.1
127.03921	2.7
131.08539	2.1
133.04955	4.1
133.10126	28.2
134.10483	1.9
135.04387	1.7
135.08018	1.5
135.11667	1.1
137.06027	1.8
137.09616	1.1
145.04967	3.6
145.10109	2.0
147.11678	5.6
149.09596	1.5
149.78172	1.2
151.03960	1.5
151.11205	1.7
159.31070	1.0
160.12405	1.2
163.03914	1.4
163.06078	2.3
164.07054	1.3
173.13307	3.2
175.14827	100.0
176.15158	1.6
179.10641	1.9
198.05899	1.2
205.12312	1.9
206.04491	1.5
209.15393	1.9
215.09206	5.4
223.13330	4.1
233.10222	4.3
241.14365	1.5
247.24178	1.0
394.15982	1.1
441.03195	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.05510	7.8
57.03427	1.1
67.05503	2.3
69.03419	4.1
69.07069	11.5
71.04993	7.4
73.02922	0.8
79.05484	2.9
81.03415	1.8
81.07056	7.4
83.08630	4.7
85.02907	7.7
91.05485	11.8
93.07037	4.9
95.04976	1.8
95.08607	9.8
97.02893	2.9
99.04428	1.4
102.71223	0.9
103.05437	1.1
105.07034	23.6
107.04953	1.6
107.08598	15.5
109.02905	1.5
109.06517	1.1
109.10154	1.7
115.03945	1.8
117.07007	4.7
119.08583	97.8
120.08910	1.3
121.06530	0.9
121.10133	6.4
123.08094	1.2
127.03922	2.8
131.08559	1.7
133.04999	2.4
133.10130	26.8
135.11684	1.0
137.06004	1.0
145.04985	4.4
145.10147	1.6
147.11658	3.8
160.12421	1.0
161.13217	0.8
163.03883	1.3
163.06023	1.5
165.05522	1.1
167.07074	1.4
173.13263	1.6
175.14825	100.0
176.15198	2.7
179.10748	0.6
209.15630	0.9
210.17506	0.8
215.09148	5.7
223.13333	1.8
233.10237	5.2
237.84586	0.8
241.14311	1.2
367.71860	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.33
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.2
56.05033	0.3
58.06625	0.4
59.07381	0.2
60.08163	7.0
60.58609	0.1
66.50419	0.1
67.05494	0.4
69.07063	0.2
69.80296	0.4
71.07372	3.3
79.05489	0.4
81.07059	0.4
83.08607	0.2
86.09704	29.6
87.10026	0.2
91.05472	0.3
93.07010	0.4
95.08609	0.6
97.06536	0.3
98.22601	0.2
98.98457	3.0
104.10741	6.4
107.08611	0.2
119.08595	0.2
121.10131	0.1
125.00002	21.0
163.03989	0.1
165.14859	0.2
184.07336	100.0
185.07758	0.8
258.11108	0.4
355.15378	0.3
444.99332	0.2
452.24033	1.1
509.68121	0.1
516.30859	0.2
534.31769	2.3
552.32898	5.5
553.26569	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	552.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.2
56.05042	0.7
56.19890	0.1
57.03444	0.1
58.06367	0.1
58.06615	0.3
59.07371	0.2
60.08161	6.7
66.66328	0.1
67.05496	0.2
69.07040	0.1
69.12187	0.2
69.12596	0.5
70.06616	0.1
71.07370	3.4
79.05509	0.2
81.07070	0.2
86.09702	31.0
87.10040	0.3
91.05463	0.1
92.32486	0.1
95.04955	0.1
95.08640	0.1
98.98462	3.0
104.10737	4.7
105.07009	0.1
124.99998	21.3
143.01071	0.2
172.38127	0.1
175.00439	0.1
184.07330	100.0
185.07658	0.9
258.11026	0.3
339.13165	0.1
452.24347	0.9
520.20551	0.2
534.32050	1.2
552.32916	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	552.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.7
58.06627	0.6
58.86308	0.2
60.08163	6.3
63.65293	0.2
67.05518	0.2
70.14469	0.4
70.14806	0.3
71.07371	2.9
81.07019	0.3
83.64146	0.3
86.09703	28.7
95.08582	0.3
98.98466	2.8
104.10743	7.4
105.07020	0.2
116.09109	0.2
120.12431	0.2
124.99998	20.4
143.01019	0.2
181.75652	0.2
184.07332	100.0
185.07626	0.7
186.04369	0.2
430.97739	0.2
452.24078	1.3
516.30365	0.3
534.31866	2.6
552.32965	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	552.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.5
58.06630	0.6
59.07380	0.2
60.08163	6.4
60.08470	0.3
62.58419	0.1
67.05511	0.4
69.33817	0.5
71.07373	2.6
79.05500	0.3
86.09703	30.8
87.10052	0.4
91.05466	0.2
93.07057	0.2
98.98463	2.7
101.43065	0.1
104.10742	3.8
105.07079	0.1
109.50556	0.1
111.51957	0.1
113.57982	0.1
119.08562	0.2
124.99998	20.8
146.24927	0.1
158.37643	0.2
166.02597	0.1
184.07333	100.0
185.07697	0.9
213.27003	0.1
258.10971	0.2
436.24597	0.2
446.22998	0.3
464.24030	2.0
500.31094	0.2
516.30060	0.2
518.32343	1.8
535.32550	0.2
552.28076	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58459	0.5
55.05497	0.4
56.05036	0.7
56.11290	0.5
58.06577	2.4
59.07368	1.4
60.08162	11.1
67.05482	0.8
71.07365	3.3
81.07053	0.6
86.09704	33.7
91.05512	0.6
91.90188	0.6
93.07022	1.0
98.98467	2.5
104.10742	45.5
105.06971	0.7
114.67229	0.5
124.99997	19.3
125.81316	0.4
128.72234	0.5
150.20782	0.5
184.07336	100.0
190.38939	0.5
210.08884	0.5
239.09264	1.1
246.21352	0.4
258.11020	1.1
416.65659	0.5
434.22882	1.0
445.98581	0.5
446.22672	0.8
464.24039	3.9
464.79800	0.6
500.31378	0.6
516.30920	0.7
518.32306	6.1
534.31610	1.3
542.46661	0.6
552.28467	10.1
553.28680	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
56.05036	0.6
58.06605	0.6
60.08162	7.1
60.75805	0.4
67.05505	0.5
69.03440	0.4
71.07372	3.2
79.05492	0.3
85.02934	0.3
86.09706	31.2
93.07034	0.6
95.08610	0.3
98.98466	3.1
104.10741	7.3
109.02927	0.3
125.00002	21.2
133.10115	0.3
140.20171	0.3
145.06447	0.4
159.04353	0.3
161.05875	0.3
163.03856	0.3
184.07338	100.0
185.07675	1.2
186.07654	0.3
232.06989	0.3
276.41574	0.3
314.85925	0.3
355.15366	0.7
388.61667	0.3
463.17719	0.3
515.82843	0.3
520.20984	0.4
534.31909	3.5
536.08838	0.3
552.32892	2.9
553.26459	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.01871	5.1
55.05256	1.3
55.05510	18.5
59.04984	1.1
63.69959	0.7
67.05504	14.6
69.03419	2.6
69.07078	4.7
69.49426	2.8
71.05000	1.8
79.05492	20.8
81.03422	3.0
81.07057	36.6
83.01341	1.3
83.04975	6.9
83.08624	9.8
85.02901	1.4
85.06532	1.2
86.09682	1.1
91.05470	11.6
93.07042	12.8
95.04971	11.5
95.08619	5.8
97.06507	2.3
97.10169	13.7
98.22753	1.4
104.10748	1.0
105.07036	8.6
107.04945	5.3
107.08591	10.6
109.06516	4.4
109.10137	5.0
111.04445	5.9
111.08064	2.8
117.07025	8.6
119.08565	14.1
121.06488	6.0
121.10136	6.3
123.08057	6.6
123.11735	0.7
124.03912	1.7
125.09636	10.7
128.06210	1.1
129.06995	4.2
131.08565	6.9
133.06512	2.5
133.10158	4.3
135.08032	4.3
135.11688	4.2
137.09624	2.2
139.11208	1.8
143.08556	2.4
145.06497	1.0
145.10109	9.8
147.08049	9.8
147.11639	2.1
149.09639	4.4
153.09077	3.2
153.12726	2.2
155.08571	1.0
157.10112	3.7
159.07997	1.6
159.11685	2.4
161.09663	3.9
163.11169	8.6
165.09151	4.2
169.10152	1.1
171.11627	1.3
173.09654	1.7
175.11180	1.5
181.10530	0.8
181.12199	3.8
184.07335	2.7
185.09612	0.9
185.13260	1.2
189.11203	8.8
189.12650	1.1
191.10649	4.2
195.11676	1.1
198.97437	1.7
205.12009	0.8
209.11714	2.7
213.12839	0.8
215.14392	1.0
223.13277	4.3
227.12691	5.6
227.18033	1.9
237.16496	0.9
245.18967	2.7
249.14894	2.9
249.18309	1.0
255.17432	3.0
263.20248	1.1
267.74304	0.8
273.18463	21.4
274.18866	0.8
291.19534	100.0
292.19849	1.1
309.20578	4.4
381.38519	0.8
382.57654	0.9
401.08395	0.7
420.17123	0.7
552.28473	1.8
553.27631	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	552.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55921	3.4
55.05519	13.5
57.03423	5.2
57.07070	9.8
59.04987	4.8
60.08154	10.6
67.05496	28.5
69.03427	15.9
69.07066	45.6
69.26499	20.6
71.04982	4.3
72.42850	3.2
73.02925	4.0
74.38181	3.3
79.05504	20.0
81.03404	5.5
81.07054	100.0
83.04977	10.0
83.08604	17.0
85.02898	20.9
85.06541	14.5
86.09708	45.1
87.04459	5.7
91.05483	14.4
93.07036	39.6
95.04974	8.3
95.08607	75.1
97.02892	12.0
97.06525	8.1
97.10162	9.7
99.04467	9.8
99.08109	8.0
99.76807	3.4
104.10736	66.6
105.07014	27.9
107.08595	42.8
109.06534	9.6
109.10158	48.4
111.08095	6.3
111.11686	4.5
115.03974	4.8
119.08595	14.3
121.10138	39.7
123.08070	6.1
123.11709	39.1
124.99985	24.1
127.07539	9.7
131.04898	4.1
131.08516	4.7
133.04968	7.4
133.10118	19.4
135.08081	3.7
135.11679	34.4
137.05988	20.0
137.09653	6.8
137.13242	43.3
145.04921	10.1
145.10103	4.0
147.04395	12.5
147.11690	35.9
149.09592	4.2
149.13237	20.4
151.11192	20.0
153.09158	3.5
153.12778	4.9
159.11693	6.1
161.13257	8.2
163.03864	6.7
163.14789	9.0
165.12703	17.5
165.16434	4.4
169.12198	5.2
175.11171	8.1
175.14825	7.3
177.12787	7.6
179.03539	3.6
181.12292	4.2
183.13892	3.8
184.07326	77.4
187.14857	4.3
189.12735	4.8
191.14159	4.1
193.12256	25.1
193.15909	7.6
195.13831	10.6
203.17920	3.9
205.19539	12.3
207.13753	5.0
211.13326	4.9
213.14738	4.9
223.17047	4.6
223.20551	8.0
229.14308	32.4
241.21620	10.0
259.79022	3.7
263.20062	4.7
279.23389	4.9
301.25162	4.9
319.26294	80.1
335.09399	6.3
337.27316	82.8
355.15378	11.2
355.28391	45.9
417.87653	3.9
534.28558	5.6
552.24426	33.4
552.30011	20.5
553.25665	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	552.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25431	1.9
55.01865	4.6
55.02557	2.1
55.05510	16.8
65.09195	2.1
67.05202	1.6
67.05508	12.2
69.07048	4.4
71.04959	1.6
71.45906	2.2
73.18468	1.7
79.05510	18.2
81.03401	3.1
81.07066	13.5
81.07480	2.4
83.04984	4.3
83.08612	10.5
85.02883	2.0
91.05479	13.6
93.07030	20.3
95.04414	3.0
95.04972	32.2
95.08603	9.4
97.10146	11.3
105.07041	12.7
107.04950	4.7
107.08584	7.6
109.06521	4.1
109.10184	4.4
111.04379	2.6
111.08086	6.5
117.07005	4.8
119.08566	7.2
121.06456	2.9
121.10141	5.7
125.09624	8.6
129.07011	6.3
131.08554	6.3
133.10118	6.1
135.08064	2.5
135.11670	3.5
143.08488	2.3
145.10098	7.1
147.11652	11.3
149.09610	5.3
153.09088	8.6
157.10094	2.5
159.11682	2.7
163.11150	9.8
165.12830	2.3
169.10184	2.2
171.11700	8.3
183.11543	2.4
184.07310	3.5
189.11172	8.7
189.12732	6.3
193.12222	2.9
205.12239	2.4
207.13809	13.7
211.13181	2.2
223.13275	8.8
232.97096	2.0
247.20541	2.3
275.20117	16.5
277.21524	2.3
293.21085	100.0
294.21506	3.5
350.03558	1.9
479.84372	2.0
526.20441	2.2
552.40973	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	552.4036
Annotation	Butanoyl PAF
Peak:m/z	Relative Intensity
55.05521	0.5
56.05021	0.4
57.07063	0.7
58.06607	0.5
60.08163	5.5
65.21410	0.3
67.05504	0.5
69.33385	0.8
69.33776	0.9
71.07378	2.4
71.08607	0.4
79.05511	0.4
79.69055	0.3
81.07062	0.6
86.09707	26.1
93.07053	0.6
95.08611	0.6
98.98467	2.6
104.10754	3.4
107.08581	0.4
125.00004	18.8
144.89474	0.4
184.07341	100.0
185.07690	1.9
186.07782	0.6
258.11014	0.5
319.09991	0.3
377.51880	0.3
434.23251	0.4
534.39386	0.6
552.20819	0.6
552.40460	4.3
553.22162	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	553.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65136	0.5
67.05497	1.7
69.07056	1.0
74.67719	0.4
79.05473	1.4
81.03400	1.3
81.07049	1.2
85.31294	0.5
85.65484	0.5
86.09715	3.3
87.10028	0.8
91.05477	1.3
93.07023	1.5
94.01909	0.5
95.04961	0.6
95.08569	0.8
97.06522	0.6
105.07015	1.1
107.04910	0.9
107.08630	0.8
109.10122	1.2
119.08584	0.6
121.10125	0.9
121.82371	0.5
124.99989	1.8
127.03669	1.0
131.08551	0.8
133.10112	0.7
135.04352	0.6
137.05934	2.8
163.03841	1.6
167.74716	0.5
181.08624	0.6
184.07324	7.6
185.07750	2.6
186.07721	2.5
186.78799	0.5
213.05444	0.9
222.43652	0.5
263.34210	0.5
269.13516	0.6
275.07315	1.2
317.08243	1.9
335.09476	13.4
337.14276	0.9
355.15320	3.4
421.21759	1.5
485.78635	0.6
553.25977	100.0
554.26251	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	553.2777
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
53.03675	1.1
53.12754	1.0
59.41613	0.9
67.04220	0.9
67.05504	1.3
69.98713	2.2
69.99077	2.1
76.48090	1.1
83.03568	1.0
87.05022	0.9
91.05499	0.8
97.36877	1.0
98.22749	1.9
98.97635	1.3
113.57925	0.9
115.05428	1.0
134.28448	0.9
174.98700	1.2
192.47000	1.0
196.14752	0.9
234.97308	1.0
317.17960	1.6
493.16422	1.8
553.27722	100.0
554.28088	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	553.2775
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
55.05511	1.5
56.26955	1.0
67.05499	1.6
69.07085	1.3
69.28858	5.9
76.97484	1.1
81.07074	2.8
93.07030	2.2
93.51283	1.0
95.08625	2.3
107.08576	2.0
109.10148	1.1
135.96600	1.0
163.11264	1.2
227.06955	1.0
291.19482	3.1
292.20035	2.7
317.17673	1.4
373.25589	1.1
553.27734	100.0
553.42096	3.0
554.27979	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	553.2985
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
50.46432	0.3
60.69140	0.3
65.79752	0.3
66.92356	0.3
79.05554	0.3
83.01102	0.8
84.01903	0.8
95.01090	0.4
96.01899	0.3
111.20480	0.3
113.29800	0.3
127.03929	0.3
139.03687	0.4
156.03973	0.7
184.03488	0.6
184.07283	0.6
185.04214	1.5
201.03632	1.5
203.05243	1.9
259.07855	2.3
275.07568	0.5
324.82480	0.3
331.10104	2.7
345.11615	0.8
359.13141	0.8
391.24600	1.2
401.17953	0.6
415.19504	1.2
441.20450	0.4
455.22571	0.6
483.22281	1.7
512.46667	0.4
553.29834	100.0
554.30109	4.2
583.20612	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74487	0.6
55.46192	0.6
86.09737	0.9
90.24902	0.7
115.03744	0.9
117.09126	0.7
121.35204	0.7
137.51604	0.7
167.03165	3.4
169.04686	0.8
227.05299	1.1
247.44429	0.6
251.88849	0.6
259.07919	1.5
331.09985	4.0
345.07202	0.6
345.11487	1.0
359.13208	0.7
373.14584	1.0
415.19357	1.7
441.20972	0.9
461.25320	1.0
467.90860	0.7
483.21832	1.8
553.29852	100.0
554.30408	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	553.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90093	0.6
56.59880	0.7
71.29918	0.8
81.16098	0.7
81.68930	0.6
109.21294	0.7
117.92671	0.7
127.03976	1.3
145.80478	0.6
184.07356	1.6
185.04294	2.5
201.03632	1.4
212.63728	0.6
259.07941	0.8
275.07532	1.1
301.09171	0.9
331.10062	3.9
345.11456	0.8
350.82474	0.8
401.17691	0.8
415.19479	1.0
483.22284	1.8
490.05087	0.7
549.85028	0.8
553.29834	100.0
554.30133	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	553.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.5
55.69564	1.4
57.03456	1.7
61.02925	3.6
63.17341	1.3
67.05502	4.0
69.03423	6.6
69.07073	5.9
70.20683	2.3
75.61113	1.2
76.18413	1.2
79.05513	3.3
81.03417	4.0
81.07059	5.9
83.04980	2.2
83.08607	1.9
85.02911	21.8
85.06538	2.0
91.05492	5.4
93.07040	7.2
94.37052	1.5
95.08607	9.8
96.08131	2.9
97.02897	5.9
97.10162	1.8
99.04475	1.5
99.08098	1.6
99.86546	1.3
105.07028	8.3
107.04925	2.2
107.08583	13.0
108.08136	2.1
109.02875	3.3
109.06528	2.7
109.10142	6.3
110.09686	4.4
112.04634	1.3
117.03391	2.2
117.07000	2.4
119.08608	11.4
120.08110	4.4
121.06514	3.0
121.10133	9.1
123.08081	4.8
123.11722	3.6
127.03925	4.8
131.04897	1.7
131.08597	4.7
133.06496	1.9
133.10133	14.8
135.04422	4.3
135.08051	4.0
135.11725	4.3
137.05981	5.4
137.09619	3.7
137.13245	1.5
138.09158	5.3
143.08571	4.1
145.02901	3.1
145.05017	6.4
145.10133	15.1
146.15074	1.2
147.08072	4.9
147.11714	5.1
149.09639	3.7
151.07523	1.8
154.37584	1.3
155.08597	2.6
157.10162	5.3
159.08064	2.6
159.11699	7.8
161.05946	1.6
161.09619	2.4
161.13284	3.2
163.03889	21.7
163.07526	3.0
163.11166	2.4
165.09108	2.0
166.08676	4.3
167.07007	3.5
169.10165	3.8
171.11696	4.4
172.12502	1.9
173.09612	3.2
173.13298	4.5
175.11208	3.1
175.14847	1.6
177.05452	2.0
181.04967	1.8
183.11755	3.3
185.13292	4.6
187.11154	2.3
187.14851	16.2
189.16524	1.7
196.12320	1.4
197.08151	1.4
197.13304	3.0
199.11237	2.3
199.14783	6.2
203.14319	3.5
203.17923	1.5
205.15953	1.6
208.94124	1.3
209.13310	3.1
211.14827	2.9
213.12769	3.3
213.16350	2.1
215.14279	32.1
215.16139	2.4
215.17818	1.3
217.15897	6.7
219.19247	1.2
221.13177	1.6
223.11427	1.8
223.14801	2.6
225.10123	1.5
225.16383	2.4
229.15906	2.1
233.15364	29.2
237.10110	2.6
238.10661	2.7
239.11923	1.4
239.17978	2.4
241.15909	3.3
243.17487	3.8
249.16364	1.6
250.10718	4.0
251.11725	3.5
251.16344	7.3
252.12233	4.4
253.09880	2.5
259.16913	3.0
262.10822	2.2
265.09634	3.2
266.10120	3.8
267.11240	2.6
268.11731	2.0
269.18890	1.7
274.17245	1.3
278.10468	1.8
279.11188	3.5
280.08136	1.5
280.11688	4.3
283.10855	2.2
284.11130	2.5
285.22107	1.5
290.10098	3.5
294.09912	2.5
294.23425	1.4
295.10349	2.0
295.24042	2.0
296.11057	1.6
297.12015	1.8
300.10693	1.6
311.10403	2.7
311.23785	1.6
312.10699	3.3
313.10883	1.5
313.25284	1.7
314.12421	1.7
319.24310	3.2
327.13162	4.1
327.23056	2.1
328.13779	3.7
335.10104	3.1
336.10483	3.9
337.25275	10.6
339.13409	13.8
340.09940	1.1
340.13702	24.7
354.12186	1.7
355.12552	4.9
355.26303	25.9
356.13181	4.5
367.12848	7.9
368.13181	16.8
373.27368	90.5
374.27673	2.8
391.28415	88.5
392.28656	4.1
452.21173	1.6
480.21094	1.9
489.18378	10.4
493.21506	4.5
520.20844	3.4
521.21106	100.0
522.21069	4.0
535.32471	3.5
553.23810	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	553.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.5
66.66951	1.0
67.05505	2.9
69.03429	2.0
69.07068	2.6
79.05500	2.4
81.03423	2.0
81.07049	5.6
83.04994	1.7
83.08634	1.5
85.02901	6.1
85.06533	2.4
91.05485	4.9
93.07059	6.1
95.04961	3.9
95.08603	8.6
97.02910	3.2
97.06522	1.2
105.07040	7.6
107.04963	2.8
107.08595	12.5
109.02879	2.4
109.06535	3.7
109.10178	4.4
111.08107	2.6
117.07044	1.4
119.08549	9.8
121.06519	5.3
121.10132	8.2
123.04436	1.4
123.08094	5.3
123.11714	2.5
125.02334	1.4
127.03907	11.6
131.04889	1.4
131.08565	5.1
133.06493	2.6
133.10110	16.1
135.04401	2.2
135.08046	2.5
135.11720	4.3
137.06001	3.2
137.09586	6.1
143.08589	2.3
145.06459	1.5
145.10114	18.4
147.04449	1.4
147.08015	7.6
147.11696	4.4
149.05966	2.5
149.09651	4.2
151.03925	3.6
151.07509	1.6
157.10181	3.5
159.08078	4.4
159.11697	6.9
161.09650	3.6
161.13318	3.2
163.03903	4.2
163.07520	1.7
163.11223	1.5
164.04321	1.5
165.09105	2.9
169.10100	1.4
171.11681	2.2
172.12537	2.5
173.09698	3.0
173.13266	3.7
175.11369	1.2
175.14772	2.2
177.05490	1.8
177.16345	2.3
185.13203	2.3
187.11259	2.1
187.14801	19.7
189.12881	2.0
189.16351	2.3
197.08069	12.5
197.13263	3.3
199.14833	2.0
203.14326	3.0
205.15935	2.8
213.12796	3.1
213.16408	1.5
215.14317	40.4
217.15915	8.1
229.15915	1.9
233.15356	46.8
235.16879	2.0
241.21645	4.1
248.02444	1.1
251.16405	9.5
309.25647	1.3
335.09528	1.4
337.25214	5.0
348.96371	1.1
355.26202	6.5
373.27368	74.5
374.27951	1.5
391.28409	100.0
392.28583	2.5
397.56464	1.2
503.85052	1.1
519.08020	1.3
553.26031	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.1
51.22058	0.8
53.03953	2.0
55.01870	1.8
55.19717	0.8
57.03430	2.0
59.05005	1.0
61.02916	1.9
66.64223	0.8
67.05502	1.5
69.03435	7.0
69.57999	3.2
71.04993	2.0
73.02910	1.3
77.03928	1.2
79.05495	15.4
80.03838	0.7
81.03432	5.0
81.07057	4.1
83.04967	1.7
84.04494	0.9
85.02902	14.6
87.04470	2.6
91.05492	1.9
93.07069	4.4
95.01340	1.6
95.04967	24.8
95.08582	1.6
97.02895	6.8
97.06512	1.9
98.23427	0.9
99.04478	2.7
103.05497	4.2
105.03411	1.7
105.04530	2.3
105.07032	4.8
107.04953	100.0
107.08591	2.4
108.05308	0.9
109.02879	14.8
109.06508	5.1
109.10146	0.8
111.04446	0.8
111.08080	0.9
115.03922	2.0
119.04929	1.4
119.08614	4.8
121.06495	7.7
121.10145	3.4
123.04420	7.9
123.08068	2.5
123.11726	1.3
125.02354	11.7
125.05992	3.2
125.09649	1.5
127.03933	4.4
131.04921	3.0
131.08551	1.6
133.02844	6.2
133.04959	3.1
133.06534	1.8
133.10117	1.8
135.04410	5.8
135.08069	1.3
139.03894	1.1
141.05475	2.3
145.04977	2.7
145.10109	0.9
148.07518	1.6
149.04813	1.6
149.05968	12.9
149.09666	1.3
151.03905	74.6
151.11185	1.0
152.04301	1.5
153.05458	10.9
159.04347	1.2
161.06003	2.0
161.13271	2.1
163.06192	1.1
163.07578	3.3
165.05495	3.3
167.07011	4.6
167.10663	1.7
177.05460	17.2
177.12747	1.8
178.08679	1.2
179.07051	0.8
182.20641	0.9
189.12764	2.5
193.08549	1.1
195.06529	37.1
195.10231	3.5
195.13882	1.6
196.09714	1.8
207.13763	7.3
209.08104	2.9
211.09721	2.2
213.07574	69.8
225.14839	11.2
243.15935	2.6
244.09683	1.8
272.12671	1.0
314.14047	1.0
325.09238	1.9
339.10959	1.2
343.10202	2.1
374.16028	3.6
392.17007	3.4
396.55511	0.9
445.33237	0.8
542.43695	1.0
554.23096	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	554.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.5
57.03428	1.7
61.02932	3.2
65.03941	2.2
65.64541	1.4
69.03436	6.6
69.07075	4.2
70.22327	1.5
71.04993	2.9
71.45045	1.4
78.98968	1.3
79.05482	3.7
81.03415	8.6
81.07053	3.2
83.08624	1.5
85.02905	23.4
85.92462	1.4
87.04467	2.7
91.05486	5.2
93.07049	1.8
93.77860	1.8
95.04992	1.6
95.08599	3.5
97.02897	6.6
103.05456	2.9
107.04934	2.2
107.08588	4.1
109.02897	2.8
109.06517	3.0
109.10148	2.0
115.03963	2.0
115.05482	8.1
117.07024	5.4
119.08564	1.9
121.06532	2.8
121.10159	2.3
122.03619	3.1
122.84993	1.4
123.08073	3.9
127.03949	2.6
129.07033	5.8
131.04927	9.7
133.02847	1.7
133.06477	1.9
133.10228	1.7
137.05977	79.6
138.03094	3.4
143.04913	9.8
144.05630	2.1
145.05110	3.5
145.06494	11.8
147.04407	4.4
149.06032	1.9
151.03967	2.8
151.07549	1.9
153.05467	49.6
155.04878	1.5
157.06532	4.7
159.04431	5.7
159.08104	1.9
160.05191	11.9
161.06052	4.4
162.03029	1.8
163.03859	9.0
163.07495	2.8
165.05515	1.8
167.07063	2.5
167.80470	1.4
169.04970	1.6
172.05136	2.3
173.05986	40.0
174.06448	1.7
175.07541	89.1
175.14790	1.8
176.04665	10.6
176.07938	1.9
177.05460	6.1
178.89360	1.4
179.07063	4.6
181.05121	1.6
185.05995	1.7
187.07538	34.1
188.04758	3.2
189.09138	6.2
191.07030	100.0
192.07460	2.4
195.17439	2.2
203.07037	39.9
205.08612	22.7
213.18527	3.0
217.08632	4.3
218.07295	2.0
219.08122	1.6
221.08055	29.0
225.14879	10.4
227.07045	2.2
233.07968	3.2
235.07512	2.5
235.09637	19.6
240.18851	1.7
243.06526	2.2
243.15904	2.7
249.09087	2.3
251.09128	29.1
261.08932	2.6
263.07089	3.2
269.08206	3.6
271.06006	5.2
279.09921	2.1
285.78531	1.5
286.08292	12.3
287.09042	5.2
289.08820	1.9
292.07553	2.1
295.09634	3.4
307.09802	7.5
321.11191	2.4
327.12250	9.1
339.12274	12.9
340.12589	2.0
345.13190	3.3
357.13339	16.3
365.78055	1.5
392.28625	1.7
555.19775	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	554.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03434	1.2
61.02907	1.3
69.03423	2.8
69.44574	2.8
71.04959	0.5
81.03393	2.0
81.07052	1.3
85.02904	10.7
85.12299	0.5
91.03960	0.7
91.05459	1.1
95.04981	0.7
95.08591	0.8
97.02882	4.5
99.04450	0.5
103.05476	0.8
103.91455	0.6
105.03395	0.6
105.07040	1.3
107.04922	0.8
109.02872	1.2
109.06513	3.8
115.05441	1.6
117.06989	0.6
121.06493	0.7
121.10157	0.7
123.08004	0.6
127.03916	2.7
128.06233	2.0
129.06987	11.6
131.04945	2.8
131.08574	2.1
133.02806	1.3
133.06403	0.7
135.08102	0.8
137.05974	4.6
143.04887	0.6
144.05630	0.6
145.04944	2.6
145.06456	2.1
146.07254	1.2
149.06010	1.3
151.03876	0.7
151.07507	2.6
153.05487	0.6
155.04929	2.8
155.05969	0.6
157.06480	6.4
157.54655	0.5
158.07271	3.2
159.04373	0.9
159.08049	0.6
160.05147	2.7
161.06010	1.7
161.09633	1.0
163.03871	2.2
163.07565	0.5
165.05479	0.8
167.07074	1.1
172.05182	1.7
173.05942	2.2
174.06752	23.1
175.03828	0.6
175.07535	11.9
177.05405	2.6
179.07037	7.9
180.08669	1.5
181.04910	0.8
183.04367	0.8
187.07532	17.6
189.09090	28.2
191.06943	0.6
195.06493	1.7
197.06448	0.5
197.08075	3.2
201.05455	2.4
203.07014	3.3
205.04980	4.5
205.08636	2.6
208.13342	2.0
215.06999	13.1
215.08975	0.7
225.14714	0.8
233.08070	100.0
234.08409	2.2
243.15779	0.8
251.09140	15.4
268.74747	0.5
339.12231	0.8
357.13272	1.8
375.10156	0.6
553.43280	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
53.86664	1.1
55.01869	2.4
55.05500	1.7
57.03421	3.0
59.04988	1.3
61.02925	3.9
67.05486	2.3
69.03434	12.9
70.44569	2.4
71.04984	2.1
73.02924	2.3
79.05484	11.3
80.05037	1.7
81.03414	11.0
81.07063	8.3
83.04984	3.4
85.02901	27.0
87.04467	2.2
91.03984	2.4
91.05476	5.3
93.07031	6.1
95.04958	16.0
95.08609	3.5
97.02894	13.9
99.04455	2.7
101.77753	1.2
103.05463	3.0
105.07053	6.9
106.06557	3.1
107.04951	32.4
107.07345	2.2
108.08109	13.2
109.02879	19.9
109.06514	18.3
110.06048	2.0
110.09647	2.8
111.04459	2.3
111.08080	10.8
113.06020	1.8
115.03999	1.4
115.05470	2.1
117.07050	2.8
118.01505	1.2
119.04940	13.8
120.08121	1.8
121.06502	13.6
121.10144	1.4
123.04429	20.9
123.08089	3.4
124.03920	1.4
125.02359	2.7
125.06033	1.8
126.05502	2.8
127.03906	7.6
131.04930	2.0
132.08118	1.5
133.02866	1.8
133.05002	1.5
133.06456	6.0
135.04459	2.7
136.07597	3.0
137.05940	1.7
138.29904	1.1
140.07104	3.1
141.05460	65.8
145.04939	3.3
146.06012	3.1
147.04372	9.2
148.07562	27.3
149.06003	4.1
150.09105	1.7
151.03902	17.3
151.07500	6.8
153.05463	3.2
158.32396	1.1
161.06078	2.6
162.09251	1.9
165.05493	17.3
165.09212	1.3
167.07028	5.7
174.09105	2.0
177.05482	4.0
178.08684	2.9
179.07063	7.8
182.08163	2.8
192.10123	1.5
193.08641	4.1
194.08224	3.8
195.06546	11.0
207.13913	2.0
210.11279	8.2
211.09653	51.7
212.09988	1.3
213.07552	18.3
221.86255	1.1
225.14793	3.1
244.09700	51.9
245.10045	2.6
245.99582	1.2
272.12775	22.2
274.10947	2.8
274.14474	3.6
290.10254	12.8
296.12869	2.8
304.11841	9.7
314.13892	21.1
342.13388	20.0
346.16479	3.1
356.14767	2.2
360.14417	12.5
373.14993	2.0
374.15967	81.1
375.16391	2.4
392.17001	100.0
393.17294	2.7
554.22296	59.2
555.22705	3.6
576.63708	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.8
55.01880	3.2
55.05491	0.9
57.03432	1.0
62.93269	0.6
67.05495	0.9
69.03448	3.0
69.07081	1.5
71.04995	0.6
73.02917	1.1
79.05492	2.3
79.40149	0.9
81.03417	5.2
81.07037	3.8
83.08639	1.3
85.02900	4.5
87.04474	0.8
91.05473	1.7
93.07039	2.4
94.04173	1.3
95.04970	7.2
95.08603	4.7
97.02887	2.1
99.04443	1.6
103.05437	1.3
105.07030	1.4
107.04924	1.1
107.08571	4.0
109.02901	0.9
109.06484	0.7
109.10180	1.8
110.08388	0.6
113.09632	1.0
113.89516	0.6
115.03922	1.7
115.05462	1.3
117.07010	3.1
119.04939	1.3
119.08604	1.2
120.08083	0.7
121.06483	0.8
121.10126	5.5
122.03632	2.8
122.06020	1.8
123.04439	3.0
123.08072	1.6
125.06010	1.2
125.09629	0.7
127.03910	1.4
131.04915	4.4
133.04988	0.8
135.11708	1.1
137.05977	100.0
138.06319	1.2
143.04933	0.9
145.04999	0.8
145.06477	4.4
147.04393	1.0
147.11592	0.7
149.05943	1.0
151.03906	16.7
153.05481	2.0
160.05202	1.8
161.05998	2.6
163.03908	1.8
163.07532	2.7
165.05473	22.0
165.12781	1.6
175.04022	0.9
175.07571	4.6
177.09082	1.4
177.16373	14.5
179.07057	0.7
179.14372	0.6
181.04883	1.7
187.07536	2.5
189.12627	0.9
190.06194	0.9
191.07016	1.2
193.04982	2.3
195.17400	1.5
203.07027	1.6
205.08601	21.2
207.13811	2.2
211.05968	2.6
219.08099	1.4
225.07536	6.6
225.14847	4.8
233.08084	1.7
243.08661	3.6
243.15938	3.3
249.09055	0.9
277.08606	2.5
279.10104	0.8
309.11163	3.6
309.14441	0.6
311.12750	1.8
320.61365	0.6
321.11279	1.7
339.12219	2.5
357.13199	1.0
510.19131	1.0
554.21790	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	554.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.6
57.73495	0.4
61.02941	0.5
69.03419	1.5
69.15984	1.1
69.16383	1.4
79.05462	0.5
81.03411	1.2
81.07069	0.5
85.02902	5.4
91.05473	2.5
93.07070	0.7
95.04959	1.0
97.02882	1.6
103.05467	1.6
105.07036	4.5
107.04945	2.9
108.05786	0.4
109.02885	0.6
109.06515	1.1
115.05507	0.5
117.07010	1.4
119.04925	1.2
121.06527	2.3
123.08076	0.9
123.11776	0.5
124.16663	0.5
125.06013	0.7
127.03902	1.1
129.07014	3.3
131.04964	2.3
131.08556	1.2
133.06503	2.3
133.07390	0.4
134.07220	0.6
135.04422	1.4
135.08041	2.5
136.05249	2.6
137.05965	6.6
139.07547	0.8
143.04935	0.8
145.04976	0.5
145.06512	1.5
146.07304	0.8
147.04463	0.5
147.08063	0.5
148.05183	0.5
149.05989	1.9
150.06767	7.1
150.44717	0.4
151.07544	35.4
157.06488	5.4
160.05238	0.7
161.05972	5.4
161.09665	1.7
163.03888	1.4
163.07555	8.6
164.08282	0.8
165.09111	36.3
174.06773	1.7
175.07530	5.3
177.09100	8.7
181.06480	0.6
181.10109	0.9
183.08000	0.7
187.07556	0.5
188.08339	1.1
189.09097	13.6
191.06956	0.5
191.10698	0.5
193.08597	0.7
194.07239	0.8
195.08105	1.0
196.08804	0.5
201.09157	0.6
203.08582	0.4
203.10622	1.3
207.08276	0.9
207.10207	3.2
209.05824	0.6
209.09654	4.1
210.10345	1.9
211.07574	0.9
221.09698	0.6
221.11656	0.8
223.07576	1.2
223.11217	0.7
224.08344	1.0
225.09167	1.2
225.13002	0.5
226.09903	1.8
227.10623	0.5
235.07634	1.1
235.11266	0.6
236.08392	1.0
236.11975	1.1
237.09157	2.6
238.09830	1.2
239.07002	0.9
239.10637	2.6
241.12204	7.4
249.09184	0.6
251.06873	0.7
251.10719	0.9
252.07848	0.8
252.11418	0.7
253.08688	1.7
254.09392	1.5
255.10202	1.1
263.10721	0.9
264.11386	1.2
266.09338	0.5
267.10364	3.9
267.13748	5.3
268.11145	0.6
269.08521	0.8
269.11722	6.6
270.12503	1.8
271.09662	0.9
280.10849	0.7
281.11728	1.7
283.09683	1.5
283.13217	1.0
284.10474	1.2
285.11130	0.7
286.12054	2.5
287.05527	1.2
289.14658	0.5
295.13269	2.4
298.11877	0.7
299.12784	7.0
301.14343	18.9
312.13522	0.7
313.14346	1.5
315.15897	2.9
327.12006	1.1
327.15894	19.2
330.14578	2.2
342.84491	0.5
345.16965	100.0
346.17230	2.2
357.16873	3.1
457.08600	0.5
512.59796	0.4
554.15839	0.7
554.23767	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01852	1.7
55.05511	9.1
57.03429	4.1
59.04998	1.7
61.02927	1.0
65.03930	0.9
67.05502	2.7
69.03431	13.1
69.07072	1.2
69.80556	2.8
71.04987	3.3
73.02906	2.4
73.90958	0.7
77.03948	0.9
79.05493	6.8
81.03421	2.9
81.07063	4.0
83.04985	10.6
83.10413	0.8
83.41893	0.8
85.02904	14.4
87.04467	6.5
91.03987	1.0
91.05495	3.7
93.07049	4.5
95.04967	38.4
95.08614	3.9
97.02889	11.2
97.06541	1.4
99.04452	10.6
99.08079	0.9
103.05490	4.3
104.25316	0.9
105.07037	7.5
107.04954	41.8
107.08582	6.3
107.87037	0.7
109.02867	7.8
109.06499	4.4
109.10175	6.8
111.04440	1.1
111.08043	1.0
114.15487	0.7
115.03924	11.4
115.05425	1.8
117.07029	1.6
119.04896	0.9
119.08579	5.0
120.08141	0.8
121.06509	3.1
121.10126	6.3
123.04425	1.3
123.08045	4.3
123.11668	1.2
125.02353	1.5
125.05994	1.4
125.09631	3.1
127.03921	3.2
131.04930	1.4
131.08553	2.3
132.57193	0.8
133.04959	10.7
133.06447	1.1
133.10129	2.1
135.04419	6.3
135.08061	8.9
135.11703	1.4
137.05956	1.5
137.09612	5.6
137.13237	1.9
139.03876	1.4
141.09099	0.9
143.08606	1.0
143.10689	1.0
145.04968	2.0
145.07640	1.1
145.10124	1.9
147.04414	1.4
147.08083	1.1
147.11665	6.4
149.06003	3.1
149.09618	18.7
151.03891	9.7
151.07579	1.5
153.05499	2.9
153.09103	11.3
154.06265	2.0
155.10683	3.1
156.09372	1.2
159.11734	2.3
161.13208	4.0
163.06177	1.7
163.07535	13.6
163.11192	2.5
165.05507	4.3
165.12784	2.2
167.07042	14.3
167.10591	1.0
169.12318	1.2
171.11690	3.3
177.05457	6.5
177.09065	2.7
179.14330	2.3
180.07770	1.1
189.12794	5.7
191.14337	1.3
195.06544	6.4
195.10162	100.0
196.10489	1.6
207.13789	18.7
209.08142	3.4
209.15192	0.9
213.07530	6.2
225.14853	56.1
243.15938	8.7
259.08112	1.3
263.01782	0.8
277.09232	0.9
309.54642	0.8
325.09171	2.4
339.10791	3.0
343.10300	1.5
357.11795	1.9
357.18973	1.1
387.20300	1.3
424.18323	0.8
460.88922	0.8
478.95508	1.0
554.22723	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	1.0
55.01862	1.4
55.05262	1.1
55.05511	14.7
56.05803	0.7
57.03440	4.8
57.40226	0.9
57.46749	0.7
59.04995	1.2
61.02919	1.1
67.05489	2.5
69.03432	19.2
69.07059	1.0
69.43645	1.7
69.44033	1.8
71.04996	2.0
72.12484	0.7
72.81851	0.9
73.02901	1.5
77.63882	0.8
79.05482	2.6
81.03418	1.3
81.07050	3.3
83.04981	28.7
85.02404	1.3
85.02902	15.8
86.99730	0.8
87.04475	15.5
91.03979	1.3
91.05469	1.5
93.07033	2.1
95.04967	2.3
95.08604	2.4
97.02892	16.4
97.06523	1.2
99.04462	4.7
99.08118	0.9
105.07046	2.9
107.04931	1.6
107.08610	7.2
109.02896	1.7
109.06542	3.2
109.10152	5.8
109.34924	0.8
111.08087	2.9
115.03123	1.0
115.03932	18.9
117.39724	0.7
119.08569	2.3
121.06485	1.1
121.10145	3.0
123.08076	8.3
125.05952	1.1
125.09629	5.5
127.03928	2.5
127.07473	0.9
133.04965	18.5
135.08055	1.8
137.09610	1.7
137.59422	0.7
139.11189	1.7
145.04953	2.2
145.10092	1.0
147.11691	3.5
149.09598	5.3
150.07613	2.2
151.03929	1.5
151.07504	2.0
151.11191	2.2
152.08325	2.2
156.09406	0.9
163.03853	0.8
165.12732	4.0
167.10706	2.5
169.04915	0.9
171.11656	2.3
182.28293	0.8
185.11757	3.2
189.12727	3.8
196.77502	0.8
197.11676	4.9
207.13812	5.9
213.07460	1.0
223.13240	1.1
225.14854	100.0
226.15143	1.3
231.13658	1.4
241.07101	1.3
241.14172	1.2
243.15913	1.6
259.07953	1.4
277.09076	1.3
295.10126	2.9
333.03281	0.8
357.19052	6.2
507.59940	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01852	1.7
55.05511	9.1
57.03429	4.1
59.04998	1.7
61.02927	1.0
65.03930	0.9
67.05502	2.7
69.03431	13.1
69.07072	1.2
69.80556	2.8
71.04987	3.3
73.02906	2.4
73.90958	0.7
77.03948	0.9
79.05493	6.8
81.03421	2.9
81.07063	4.0
83.04985	10.6
83.10413	0.8
83.41893	0.8
85.02904	14.4
87.04467	6.5
91.03987	1.0
91.05495	3.7
93.07049	4.5
95.04967	38.4
95.08614	3.9
97.02889	11.2
97.06541	1.4
99.04452	10.6
99.08079	0.9
103.05490	4.3
104.25316	0.9
105.07037	7.5
107.04954	41.8
107.08582	6.3
107.87037	0.7
109.02867	7.8
109.06499	4.4
109.10175	6.8
111.04440	1.1
111.08043	1.0
114.15487	0.7
115.03924	11.4
115.05425	1.8
117.07029	1.6
119.04896	0.9
119.08579	5.0
120.08141	0.8
121.06509	3.1
121.10126	6.3
123.04425	1.3
123.08045	4.3
123.11668	1.2
125.02353	1.5
125.05994	1.4
125.09631	3.1
127.03921	3.2
131.04930	1.4
131.08553	2.3
132.57193	0.8
133.04959	10.7
133.06447	1.1
133.10129	2.1
135.04419	6.3
135.08061	8.9
135.11703	1.4
137.05956	1.5
137.09612	5.6
137.13237	1.9
139.03876	1.4
141.09099	0.9
143.08606	1.0
143.10689	1.0
145.04968	2.0
145.07640	1.1
145.10124	1.9
147.04414	1.4
147.08083	1.1
147.11665	6.4
149.06003	3.1
149.09618	18.7
151.03891	9.7
151.07579	1.5
153.05499	2.9
153.09103	11.3
154.06265	2.0
155.10683	3.1
156.09372	1.2
159.11734	2.3
161.13208	4.0
163.06177	1.7
163.07535	13.6
163.11192	2.5
165.05507	4.3
165.12784	2.2
167.07042	14.3
167.10591	1.0
169.12318	1.2
171.11690	3.3
177.05457	6.5
177.09065	2.7
179.14330	2.3
180.07770	1.1
189.12794	5.7
191.14337	1.3
195.06544	6.4
195.10162	100.0
196.10489	1.6
207.13789	18.7
209.08142	3.4
209.15192	0.9
213.07530	6.2
225.14853	56.1
243.15938	8.7
259.08112	1.3
263.01782	0.8
277.09232	0.9
309.54642	0.8
325.09171	2.4
339.10791	3.0
343.10300	1.5
357.11795	1.9
357.18973	1.1
387.20300	1.3
424.18323	0.8
460.88922	0.8
478.95508	1.0
554.22723	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01867	1.5
55.05509	3.7
57.03414	1.0
57.07068	0.7
61.02911	0.7
61.57012	0.5
62.55806	0.4
65.03925	0.5
67.05505	2.1
69.03418	2.2
69.06715	0.6
69.07069	6.9
70.48120	0.5
70.48464	1.2
71.04989	1.7
79.05490	3.3
81.03416	2.6
81.07056	11.4
83.08617	5.8
85.02911	6.6
85.06541	0.6
87.04451	1.0
91.05451	2.9
93.07048	7.6
93.62501	0.5
94.04162	0.9
95.04971	2.1
95.08606	25.0
97.02873	2.2
97.10152	2.1
99.04474	0.8
99.08072	2.1
103.05456	0.6
105.07011	2.7
107.04958	1.4
107.08596	18.1
109.06528	1.2
109.10157	4.6
113.09641	3.5
115.03897	1.1
115.05464	1.0
117.07012	0.9
119.08564	1.4
120.08110	1.0
121.06451	0.6
121.10145	30.9
122.03662	1.2
123.04419	0.6
123.08060	2.1
123.11698	1.0
125.09624	1.0
127.03878	1.1
131.04897	2.7
133.04951	0.7
133.10100	1.1
135.04457	0.9
135.11681	5.2
137.05975	43.5
137.13274	3.5
138.06322	1.5
139.03915	0.6
139.11125	0.6
145.04967	1.5
145.06471	1.6
145.10063	0.7
146.88200	0.5
147.04390	1.0
147.08022	0.5
147.11652	1.4
149.13229	2.4
151.03914	3.0
153.05449	1.0
161.05927	1.7
161.13419	0.5
163.03860	3.1
163.07547	0.7
165.05504	4.6
165.12737	1.0
167.07040	1.5
175.07558	1.8
177.16380	100.0
177.45288	0.5
178.16719	1.4
181.04929	1.3
183.46582	0.5
184.07381	0.9
187.07600	0.8
189.12726	0.6
195.17444	11.9
203.07002	1.0
205.08589	9.1
207.13737	1.3
218.25308	0.5
225.07529	1.2
225.14848	6.3
233.08110	1.0
243.08705	0.6
243.15860	3.0
277.08551	0.7
309.11252	1.8
311.12762	1.0
321.11127	1.2
339.12204	1.9
554.22400	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.8
53.03937	7.5
55.01865	5.7
55.05510	40.6
55.30095	2.3
57.03431	3.3
57.07057	4.8
65.03931	7.7
67.05505	90.1
67.05866	5.1
69.03421	7.1
69.07066	59.1
71.04981	4.2
71.45586	2.3
77.03909	3.9
79.05492	91.3
81.03428	14.3
81.07057	99.9
83.04978	11.3
83.08620	17.4
85.06561	4.9
91.05477	69.7
93.07040	100.0
95.04971	40.1
95.08605	55.5
97.06519	15.8
97.10176	9.3
103.05453	3.2
105.04524	4.6
105.06350	4.0
105.07027	57.7
107.04972	14.1
107.07927	3.8
107.08595	47.9
109.02181	4.5
109.02879	62.9
109.06524	16.4
109.10168	19.5
110.07312	5.1
111.08080	9.2
117.07032	16.7
119.08573	42.6
121.06520	13.4
121.10147	41.2
123.04467	2.7
123.08093	18.2
123.11707	17.4
125.09607	5.7
128.06154	2.4
129.06984	8.3
131.08565	19.7
133.06490	3.1
133.10129	37.3
135.08018	4.4
135.11679	37.8
137.09630	5.6
139.03899	7.0
140.97775	2.2
143.08510	6.5
145.10150	15.4
147.11685	33.6
149.05988	7.1
149.09637	14.7
149.13222	14.8
151.03903	12.6
151.11172	3.1
152.08257	2.5
155.08531	3.2
157.10115	7.0
159.11670	17.3
161.09616	3.2
161.13281	13.3
163.11197	6.6
163.14830	3.1
165.05478	13.1
169.10126	3.6
171.11697	11.5
173.09682	2.4
173.13239	8.7
175.11139	3.4
177.05470	42.3
177.12737	4.8
179.14288	3.0
180.07806	10.8
181.12236	3.1
185.13260	5.3
189.12743	4.7
193.12152	3.2
195.06480	5.9
195.13783	6.5
197.13133	2.7
198.08936	2.4
198.97404	3.7
207.13809	12.4
209.08066	22.7
209.11589	3.8
211.06007	3.1
223.13371	3.1
225.11133	2.8
225.14850	3.2
227.12712	3.4
239.17979	3.6
247.20532	2.5
257.19089	7.4
259.20468	2.8
273.18591	4.0
275.20059	39.3
277.21625	68.2
291.19473	3.5
293.21121	9.5
517.39691	2.5
554.25085	3.3
554.33081	4.1
559.39288	2.5
563.63885	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	554.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74836	1.4
53.03942	1.5
55.01879	2.1
55.05507	16.2
57.07050	1.5
60.04527	3.6
65.03916	1.7
67.05498	26.9
69.07067	10.7
69.88319	4.8
71.04994	4.9
71.42500	1.5
74.54312	1.8
79.05488	17.8
81.03403	4.6
81.07052	30.1
83.04964	4.3
83.08612	20.1
85.06533	2.6
91.05469	21.8
91.05994	2.2
93.07042	23.3
94.06560	1.5
95.04407	2.7
95.04963	26.5
95.08599	16.0
96.37691	1.6
97.06522	5.5
97.10159	5.3
105.07021	21.0
106.07526	1.4
107.04958	8.2
107.08598	13.3
109.06483	5.7
109.10131	9.3
111.08070	3.7
113.23766	1.6
117.07029	10.9
119.08566	23.0
121.06536	3.8
121.10138	13.7
123.08054	3.4
123.11687	3.6
125.09634	5.0
129.06987	2.3
131.08553	13.1
133.10118	21.8
135.08020	2.4
135.11674	7.5
137.09630	3.0
139.11165	1.6
143.08568	3.0
145.10135	15.4
147.08052	1.7
147.11665	10.1
149.09605	19.4
149.13274	2.2
151.11186	4.7
155.08528	3.3
157.10110	2.8
159.11702	10.2
161.09683	3.1
161.13217	2.0
163.11186	20.1
165.12819	1.7
169.10068	3.7
169.12248	2.0
171.11728	3.6
173.09694	3.5
173.13220	3.1
175.11205	2.2
175.14792	2.1
177.12759	3.7
183.11662	2.4
187.13239	7.3
189.11166	4.6
195.13800	2.0
197.13274	1.9
201.14832	4.3
223.13271	20.6
229.19458	2.1
239.17982	7.7
247.20576	1.6
257.18964	12.5
275.20050	100.0
276.20505	3.2
293.21066	55.9
307.22620	4.3
461.32294	1.7
469.22968	1.6
554.43683	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	555.278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49951	0.6
67.05496	0.8
69.07010	0.6
79.05482	0.8
91.05470	0.8
97.30490	0.5
153.01816	11.2
184.07274	0.8
198.95215	0.5
275.07300	1.1
335.09467	19.6
377.54788	0.6
508.14664	0.6
555.27686	100.0
556.27911	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	555.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
62.07196	0.7
69.03403	0.7
69.20448	4.0
70.78590	0.6
81.07045	1.4
91.05449	1.2
93.07035	0.6
97.87743	0.7
105.07026	0.7
119.08574	0.9
120.28214	0.8
144.62639	0.6
145.69699	0.6
153.01825	4.7
163.03957	0.7
184.07413	1.0
203.05225	0.7
306.46103	0.7
333.20053	0.7
335.09473	12.9
355.12067	0.6
423.23380	1.2
481.97571	0.7
555.27484	100.0
556.27808	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	555.2935
Annotation	Acrovestone
Peak:m/z	Relative Intensity
54.38247	1.7
55.05498	5.2
57.03433	1.9
57.07047	3.4
62.06094	1.9
67.05518	8.4
69.07053	5.5
71.08621	4.4
71.45103	2.2
79.05476	4.4
80.05817	1.6
80.54077	1.6
81.03401	3.4
81.07056	9.2
83.04957	2.2
83.08620	3.8
85.10152	2.1
91.05472	3.9
93.07041	6.8
95.04964	3.6
95.08592	6.7
97.10156	1.8
98.98447	8.6
98.99025	1.5
99.04470	2.1
105.07024	6.0
107.08557	2.5
109.10152	5.3
109.15117	1.6
116.84235	1.6
117.06974	1.7
119.08556	2.8
121.10117	5.0
123.95485	2.2
131.08578	1.9
133.10100	2.8
135.11670	1.9
145.10149	2.7
146.98169	5.6
155.01045	11.7
159.11751	2.1
174.48888	1.6
275.19913	2.6
276.20395	4.5
313.27454	8.2
497.26328	6.1
555.29114	100.0
556.33838	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	556.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.7
59.04984	0.7
61.02906	0.4
64.16975	0.2
64.88162	0.2
65.03939	1.9
69.03429	9.1
71.01352	0.4
73.02915	1.6
75.04435	0.3
79.05509	0.2
85.02402	0.5
85.02901	6.6
85.03416	0.3
87.04465	5.2
91.05476	100.0
92.05819	1.0
94.57091	0.2
95.04929	0.2
97.02892	10.0
98.23537	0.5
99.04423	0.3
105.07026	0.3
107.04951	12.7
109.02885	0.4
115.03928	9.3
117.07014	0.4
121.06496	0.4
125.41240	0.2
127.03915	1.0
133.04968	9.2
133.06459	0.5
134.18144	0.2
137.02283	0.4
140.42993	0.2
145.04970	1.0
145.06464	0.4
146.61411	0.2
150.07564	1.5
167.03358	1.1
192.62697	0.2
227.07033	0.7
241.06964	0.3
245.08096	7.0
245.10538	0.5
259.08212	0.6
270.35245	0.3
277.09180	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	556.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.3
55.01887	0.3
57.03435	5.5
59.04990	1.1
59.68809	0.3
61.02914	0.4
65.03952	1.6
67.91247	0.3
69.03429	16.3
69.30617	1.0
69.31024	0.7
73.02907	1.0
81.03416	0.7
85.02901	12.2
87.04467	12.1
91.05477	100.0
91.10780	0.3
92.05813	1.5
95.08601	0.3
97.02891	14.6
98.23512	0.5
99.04466	0.5
107.04945	1.9
108.00870	0.3
109.02866	0.5
115.03929	19.3
127.03925	1.9
133.04961	26.1
145.04955	2.1
167.03432	0.9
169.04936	0.6
184.04593	0.3
184.24971	0.3
223.06013	0.4
241.07007	0.7
245.08105	8.7
259.08087	0.6
277.09232	0.9
295.10406	0.5
316.27570	0.3
318.11755	0.3
395.56561	0.3
444.73050	0.3
556.09497	0.6
556.27954	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	556.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02950	0.1
55.01871	1.2
57.03436	2.5
59.04988	0.3
61.02924	2.2
63.02338	0.1
65.03935	2.1
69.03426	4.2
69.34201	0.4
71.01353	0.6
71.04990	0.2
73.02913	13.4
79.33503	0.1
81.03412	0.5
83.88659	0.2
85.02901	8.5
87.04466	0.5
87.11432	0.1
91.05475	100.0
92.05809	1.5
95.02125	0.1
97.02888	10.3
99.04465	0.4
103.03940	0.4
105.07036	0.4
109.02852	0.8
115.03926	4.4
115.57751	0.1
117.07019	0.5
127.03909	2.9
129.07007	0.4
131.08578	0.2
133.04967	4.6
133.06512	0.4
137.02376	0.3
143.08566	0.2
145.04958	3.7
145.06465	0.3
149.02379	0.2
150.07631	0.5
153.07043	0.1
157.06506	0.2
161.04427	0.2
163.06009	1.3
167.03363	1.3
192.75075	0.1
193.04959	0.2
199.05995	0.2
205.08652	0.2
217.08699	0.3
223.06023	0.5
227.07039	0.5
235.09666	0.2
241.06996	0.9
245.08095	6.5
253.10527	0.1
259.08163	0.5
335.09406	0.1
336.09470	0.1
556.28052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
54.61945	0.2
55.01866	1.7
57.03439	4.6
57.03724	0.2
59.05001	1.0
60.04530	0.3
61.02928	2.0
62.69667	0.2
63.02375	0.2
65.03936	0.7
69.03430	10.9
69.16927	0.7
69.17342	0.3
71.01362	0.6
71.04988	0.3
72.75949	0.2
73.02915	8.6
75.04500	0.2
77.03931	0.6
77.51614	0.1
78.48154	0.2
79.05492	1.8
81.03414	1.2
85.02906	13.8
87.04066	0.1
87.04466	4.9
91.05479	44.3
92.05801	0.2
95.04965	2.0
97.02889	12.8
99.04472	0.9
103.03931	0.4
105.04497	0.7
107.04952	100.0
108.05301	0.8
109.02882	0.7
115.03929	10.8
121.02865	0.3
121.06509	1.0
123.04502	0.2
123.27811	0.2
127.03910	3.9
130.48096	0.2
133.04965	13.6
137.02316	0.3
145.04959	4.7
145.06541	0.3
147.07971	0.2
148.07578	0.2
149.05965	0.4
150.07611	2.1
151.03893	0.6
161.06004	0.3
163.06006	1.7
167.03485	0.4
169.05020	0.2
187.06021	0.2
193.04988	0.3
223.06012	1.0
227.07016	1.4
241.07069	0.9
245.08087	12.4
259.08081	1.2
272.80518	0.2
277.09146	0.5
295.10306	0.3
432.15842	0.2
528.71320	0.2
555.31335	0.3
556.28131	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01869	0.4
57.03421	0.4
63.76279	0.3
65.03913	0.4
69.03433	1.7
70.89887	0.5
73.96622	0.3
79.05502	1.3
81.03418	2.8
81.07052	0.4
85.02915	1.9
89.03925	3.1
91.05476	4.0
93.07029	0.4
95.04984	0.7
97.02902	1.2
99.04456	0.4
103.05504	1.9
105.03407	0.7
105.06993	1.6
107.04945	1.6
109.02895	1.4
109.06516	0.7
115.05479	0.5
117.03391	5.3
119.04945	5.4
121.06518	0.6
122.03664	0.7
123.08025	0.3
127.03920	0.7
129.07007	0.5
131.04919	3.6
131.08569	0.4
133.02847	0.7
133.06493	0.9
135.04416	10.3
135.08023	0.6
137.05977	15.8
145.02843	10.1
145.05009	0.3
147.04411	3.8
149.05954	0.7
151.07533	2.4
157.06488	0.5
159.08040	0.6
161.05977	3.7
162.06752	0.5
163.03900	100.0
163.07539	3.3
164.04256	1.7
167.07013	0.7
175.07568	3.1
179.07080	3.4
181.04959	4.5
181.08542	0.5
187.07526	1.8
189.09087	0.8
191.14192	0.5
193.08621	0.8
205.08598	0.9
209.15320	0.9
217.08627	0.7
219.08083	0.5
219.10074	0.6
220.32112	0.4
227.16454	0.7
235.09621	1.2
251.10651	0.8
279.10129	0.6
307.08124	3.5
309.11273	1.2
311.12793	2.0
323.12869	0.7
325.09149	6.9
329.13910	0.8
341.13705	1.2
347.14908	1.1
383.33926	0.4
557.21301	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.3
69.03433	2.0
70.51788	1.6
71.01353	1.7
78.55879	0.7
79.05495	3.8
81.03411	1.4
81.07055	19.8
83.04973	2.4
85.02898	4.2
91.05444	1.1
93.07044	2.1
95.08598	5.1
97.02896	3.8
105.07022	5.8
106.96252	0.7
107.08574	1.1
108.05735	0.7
109.06518	41.6
113.01639	0.7
115.03947	0.8
121.06561	1.5
123.08086	6.3
125.02316	0.7
127.03925	1.9
133.06482	10.7
135.08093	1.8
137.05974	12.9
145.05005	1.6
151.07539	36.4
153.09145	1.3
158.65833	0.8
161.05980	9.2
167.07076	1.3
177.05574	0.8
179.07028	77.8
180.07381	1.2
197.08083	38.1
215.09146	100.0
216.09619	1.2
233.10297	1.3
341.12274	7.8
359.13425	2.9
372.46564	0.7
379.09610	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25024	0.9
53.03940	1.4
53.49487	1.0
55.01871	1.5
55.05508	12.0
57.03429	2.8
59.04998	1.0
67.05508	2.0
69.03430	10.6
69.07047	1.3
69.59956	3.2
69.60320	1.8
71.01350	2.0
71.04977	2.2
73.02954	0.9
79.05507	2.7
81.03415	1.9
81.07053	21.3
83.01352	0.9
83.04976	5.7
83.08604	3.3
83.85558	0.8
85.02399	1.8
85.02901	22.3
85.06526	1.9
86.03204	1.0
87.04471	2.9
91.03925	1.5
91.05492	3.1
93.07048	5.2
95.04984	4.8
95.08607	7.2
97.02898	11.1
97.06543	1.5
99.04451	2.9
103.05483	1.2
105.07028	10.4
107.04953	1.8
107.08587	6.9
109.02857	3.2
109.06511	46.7
109.10166	6.1
111.04414	1.0
115.03915	4.8
115.07511	1.7
119.08549	1.0
121.06495	2.4
121.10102	10.1
123.08064	10.5
125.09695	1.0
126.05521	2.4
127.03909	6.3
129.07005	1.7
131.04933	2.6
133.04968	5.3
133.06493	9.6
133.10144	6.2
135.04466	0.9
135.08063	1.5
137.05969	25.7
139.11176	2.3
145.04967	6.8
147.11688	1.5
149.13292	1.9
151.04053	1.0
151.07539	32.6
151.11125	4.8
153.05446	1.2
153.09099	3.7
157.06441	1.2
158.66873	1.0
161.05946	7.8
163.03926	2.6
163.06056	3.0
163.07463	1.2
163.14799	2.7
167.07060	1.8
167.10648	1.1
167.14281	3.1
173.13242	4.4
175.07553	3.1
175.14877	1.0
176.75829	0.9
177.05493	1.5
179.07031	100.0
180.07397	1.4
187.07570	3.3
189.09081	2.6
191.14313	5.9
195.06551	1.4
197.08081	50.0
209.15359	33.3
215.09148	81.3
216.09190	1.7
217.08623	1.5
227.16391	6.9
244.43379	0.9
269.22397	1.1
291.10248	1.1
305.17310	0.9
306.73178	0.9
309.71304	1.0
311.12698	1.5
323.12653	1.4
341.12180	11.0
359.13269	3.8
503.17532	1.5
530.38690	1.0
549.35919	0.9
556.18939	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.9
62.97047	1.3
65.03943	1.3
67.05491	3.6
69.03426	2.6
69.07047	1.9
69.19969	7.5
74.48714	1.1
77.03931	2.1
79.05065	1.2
79.05469	6.1
80.05024	2.3
81.03425	1.7
81.05770	1.3
81.07044	3.4
82.06571	2.6
85.02893	3.9
91.05482	6.8
93.07032	12.0
94.06570	10.7
95.04958	5.1
95.07342	12.6
95.08601	3.7
96.08127	22.7
97.02868	2.2
97.06525	3.6
103.05457	3.9
105.07029	2.0
107.04944	6.7
107.08610	2.4
108.08103	21.5
109.06502	1.5
109.10163	1.5
110.09676	45.6
116.04931	3.0
120.04460	1.6
120.08103	31.5
121.06483	3.8
122.06060	1.5
123.08103	2.0
124.07593	11.4
125.00000	1.6
126.97036	1.2
127.03924	2.2
133.04941	1.5
133.06436	1.5
136.07584	14.0
137.05940	4.4
138.06299	1.6
138.09126	51.6
144.04428	3.2
146.05966	2.5
147.04399	2.4
148.07562	9.4
149.09583	2.0
150.09129	1.6
151.03960	1.4
151.07547	4.0
152.07063	4.8
155.03448	1.3
163.03912	4.1
163.07481	2.1
166.08627	100.0
167.07013	1.6
167.08942	1.5
172.03941	17.9
174.05472	1.4
177.05547	1.5
179.07115	1.7
181.04887	1.7
181.08722	1.5
184.07379	3.1
190.04982	8.8
196.18849	1.4
198.07657	1.2
204.06544	19.2
206.08270	1.6
209.10867	1.9
211.08629	2.9
223.08681	2.8
224.09378	2.1
225.10185	5.3
227.08098	3.5
236.09518	1.7
237.10245	17.0
238.07350	1.6
238.10963	1.6
239.08099	5.4
239.11835	2.2
240.08856	1.9
241.09723	5.8
247.08546	1.5
251.08195	7.5
252.08818	1.6
253.09677	18.4
253.12230	0.9
255.11298	4.0
265.09686	29.1
266.10422	3.1
267.07660	5.0
267.11255	8.5
269.09277	3.1
277.09753	1.4
279.07623	7.5
281.09198	21.9
282.09848	1.9
283.10748	15.3
287.10257	4.9
293.09164	21.5
294.09924	1.7
295.10770	18.7
297.12143	2.7
299.10312	8.5
299.13171	1.2
301.11731	1.9
309.08719	3.7
311.10193	18.7
313.11707	2.9
315.13339	3.0
321.08731	14.8
325.11893	13.4
327.09741	18.1
327.13254	3.0
331.12881	1.7
339.09723	26.6
339.13589	2.0
341.11234	6.0
341.18112	1.5
343.12866	3.1
344.13907	2.3
353.11258	10.0
357.14447	3.0
359.12305	47.4
360.12570	1.8
362.15710	2.0
371.12381	20.7
388.16492	3.4
400.16556	2.2
401.14990	1.4
416.16003	1.9
418.17413	5.2
436.18539	2.5
446.17154	8.0
448.18735	2.5
464.18140	28.5
465.18756	1.4
474.16479	9.2
478.18857	1.9
480.21198	4.0
492.17609	78.6
493.17816	3.8
506.19119	17.4
524.20251	37.8
538.21539	3.0
556.20825	1.9
556.29059	2.1
557.28229	2.5
578.48163	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22624	1.9
53.03951	2.5
55.82693	2.2
56.90414	1.8
67.05491	4.4
69.07067	2.9
70.06594	2.1
72.00185	2.1
79.05483	7.7
81.03459	2.2
81.07053	4.0
82.06605	2.8
85.02926	4.9
86.09691	3.7
91.05492	5.8
93.07032	14.3
94.06557	11.2
95.04978	5.4
95.07338	11.1
95.08611	4.3
96.08122	24.5
97.02890	2.1
97.06567	3.6
103.05517	4.9
105.04507	2.3
105.07032	2.2
107.04990	2.7
107.08578	2.4
108.08105	20.9
109.10179	4.5
110.09684	48.1
110.10437	3.3
120.08095	35.0
121.06518	3.4
121.10168	2.7
124.07580	6.1
128.36560	2.3
131.04901	2.7
135.04361	2.3
136.07559	13.9
137.05948	4.9
138.05519	3.9
138.09140	50.0
145.02908	2.7
145.10214	2.4
146.06038	3.1
147.04440	2.8
148.07578	11.4
151.07576	2.8
161.05928	3.4
163.03937	6.1
163.07526	2.4
166.05090	2.5
166.08635	100.0
167.07068	2.6
172.69669	2.3
184.07347	8.2
191.14015	2.0
204.06531	5.0
211.08669	2.6
213.10025	1.9
223.08638	4.0
225.10246	6.2
227.08006	4.9
227.20082	3.2
237.10321	13.2
238.10965	2.5
239.08200	5.8
239.11731	2.7
240.08873	2.9
241.09644	6.5
251.08092	5.8
252.09044	2.3
253.09729	16.3
255.11325	6.5
265.09711	33.6
267.07635	4.4
267.11252	10.1
269.09210	2.4
281.09186	19.7
283.10815	19.0
285.08704	2.1
287.10275	4.6
292.11481	2.7
293.09171	21.3
295.10791	28.4
297.12155	2.0
299.10233	7.2
304.60229	2.1
309.08682	4.9
311.10291	19.6
321.08618	9.5
327.09708	18.3
331.12909	2.5
339.09689	28.9
341.11334	5.0
342.07050	2.0
343.12833	2.1
344.14639	4.9
353.11276	5.7
359.12308	47.2
361.77591	2.5
362.15723	3.0
365.25049	2.0
371.12378	23.4
376.17371	5.3
388.16464	3.3
394.18414	9.9
418.17856	4.9
428.15906	2.4
446.16815	11.6
448.18704	3.8
464.18195	36.8
472.30139	2.3
474.16409	7.4
492.17627	96.4
493.17920	3.4
506.19327	11.4
524.20398	35.5
556.29962	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	556.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
65.03915	0.9
69.42670	3.5
70.36665	0.9
79.05461	1.4
80.51595	0.7
81.03410	1.1
85.02896	2.2
91.05472	2.4
93.03390	1.3
94.04183	1.9
95.05000	0.8
97.02901	0.8
101.34725	0.8
102.58852	0.8
103.05497	4.5
107.04897	1.4
109.06522	2.1
109.10181	1.0
111.04448	1.6
115.05443	1.2
117.07017	1.4
119.04939	2.9
121.10151	0.8
122.03656	5.0
125.06006	1.9
128.06207	2.6
129.07004	13.2
131.04930	16.3
131.08562	1.1
133.06529	1.3
136.70140	0.7
137.05978	100.0
143.04901	2.1
144.05705	1.6
145.06483	1.6
147.04459	1.5
147.08031	0.9
149.06017	2.4
151.03889	1.2
151.07561	2.4
151.11107	0.9
153.05420	5.7
157.06497	15.0
158.07324	1.0
159.08051	0.9
160.05199	3.0
161.06018	6.7
163.03911	3.0
163.07558	8.6
165.05444	1.0
172.05197	2.0
174.06784	4.0
175.07536	22.1
177.09119	1.1
179.07086	1.8
187.07532	26.6
189.09111	28.8
189.10846	1.5
191.07048	1.0
191.10808	0.9
191.14288	2.3
201.09058	1.6
203.08530	1.3
205.06830	0.9
205.08571	3.9
207.10094	1.5
209.15312	2.3
211.07533	1.3
217.08583	8.3
219.08031	2.2
219.10173	7.7
227.16364	1.1
231.08049	3.3
233.09569	0.8
235.07562	0.9
245.17432	1.6
247.07492	1.9
248.08345	2.6
248.52263	0.7
251.10680	1.7
259.09732	2.0
260.08313	1.2
261.09128	1.6
263.10669	2.6
265.08722	1.2
270.08871	2.2
271.09576	2.0
276.07822	2.2
277.08676	1.3
279.10178	4.2
291.10071	8.0
296.10471	2.2
308.10248	1.4
311.12744	12.4
323.12762	12.5
325.14456	1.0
329.13876	2.3
341.13828	23.4
342.14276	1.0
343.15219	1.5
449.57117	0.9
471.50812	0.9
488.58295	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.4
58.47323	1.4
65.03948	2.4
65.26756	1.5
67.05526	1.5
69.03430	3.7
69.39773	8.4
72.64689	1.3
79.05485	5.1
81.03441	3.6
81.07066	3.1
85.02895	10.2
89.03908	2.3
91.05482	33.5
93.07069	1.9
95.04972	3.2
95.08612	3.2
97.02892	3.7
103.05451	16.3
105.03377	7.4
105.07029	7.8
107.04980	7.4
109.02856	2.6
109.06516	6.5
109.10144	2.9
115.05423	2.9
117.03380	4.0
119.04171	3.1
119.04946	42.4
121.06494	4.4
122.03627	3.6
123.08054	4.4
123.11683	2.5
127.03931	3.6
129.06978	5.5
131.04926	30.1
133.02858	3.9
133.06464	11.1
135.04466	7.6
135.08083	3.2
137.05978	100.0
138.06371	1.8
143.04921	2.1
145.02832	6.4
145.04938	5.2
145.06506	2.6
147.04408	22.8
147.07996	3.1
149.05988	5.9
151.07538	24.7
157.06467	3.8
159.07999	2.8
161.05992	27.0
162.06760	6.9
163.03917	59.6
163.06165	2.6
163.07549	24.2
165.05489	2.8
175.07550	26.3
179.07031	26.8
181.04906	2.4
187.07541	13.8
189.09149	6.0
190.26831	1.6
193.08560	4.8
197.19019	2.8
201.39359	2.0
205.08623	12.0
209.15302	1.6
217.08621	4.0
219.08037	2.6
227.16374	3.0
231.08052	1.8
235.09644	4.8
244.97192	1.6
247.07555	4.0
248.08467	1.8
251.10727	4.0
279.10132	7.0
281.11945	1.7
291.10120	3.8
292.49860	1.7
309.11154	14.8
311.12717	11.5
323.12778	4.6
325.09216	3.5
327.11765	2.0
329.13727	4.3
341.13803	9.6
347.15054	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	556.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94951	2.2
53.03956	3.5
55.05505	7.0
57.03428	8.7
57.07065	3.3
59.05004	3.4
62.47895	2.1
67.05503	5.3
69.03430	22.3
69.07066	4.2
69.31432	2.3
69.31743	12.5
70.62791	2.2
71.01353	2.8
71.04977	4.4
73.02923	5.2
73.86743	2.4
79.05500	6.0
81.03445	3.5
81.07065	10.3
83.04973	8.9
83.08622	3.0
85.02905	27.0
85.06534	9.4
87.04475	8.9
91.03952	2.1
91.05477	27.2
93.07036	12.6
95.04968	8.5
95.08598	8.7
97.02885	21.5
97.06514	5.7
98.22649	2.7
99.04455	3.1
101.06030	8.1
103.05477	25.3
105.03367	4.0
105.07035	15.8
107.04964	5.7
107.08588	12.7
109.06497	7.1
109.10157	12.0
110.70853	2.7
111.04385	2.5
111.08089	4.7
113.09605	3.2
115.03919	13.3
115.05521	3.0
117.03337	4.3
119.04938	29.8
119.08580	5.6
121.06490	5.7
121.10147	15.9
122.03668	5.5
123.08075	8.1
123.11726	4.2
125.09696	4.7
127.03910	6.5
127.11211	3.3
129.06978	6.5
131.04916	56.0
131.08551	4.2
133.02869	4.5
133.05000	12.9
133.06499	12.4
133.10097	15.6
135.04404	5.7
135.08073	6.6
135.11661	9.0
137.05977	100.0
137.09604	7.4
138.06306	3.8
145.02829	2.4
145.04980	6.4
145.06424	2.9
147.04416	17.7
147.08078	3.5
147.11583	2.5
149.06000	5.4
149.09622	82.9
149.13242	6.5
150.07544	2.6
151.07559	12.2
151.11198	14.5
153.05403	2.8
157.06473	6.6
159.08014	3.5
160.05125	3.0
161.05992	44.3
161.13232	3.5
162.06674	3.0
163.03914	40.8
163.06152	3.7
163.07535	39.9
163.14796	10.1
165.05508	5.8
167.07076	5.5
173.13266	12.7
174.06779	3.1
175.07533	26.0
179.07016	20.4
179.14409	5.0
181.05110	2.8
181.08511	3.6
181.15891	3.1
185.05928	2.3
187.07538	17.3
189.09106	10.3
190.41302	2.1
191.14294	38.5
197.08064	3.8
197.15376	8.5
205.08572	7.2
209.08057	3.1
209.15372	95.6
213.18318	2.3
216.75720	2.4
217.08594	7.6
219.08057	2.8
227.16425	96.1
231.08067	2.9
235.09616	4.5
245.17497	22.0
251.10651	3.2
261.46762	2.2
279.10153	4.1
291.10126	7.2
299.26392	2.7
309.11139	5.1
311.12781	20.2
323.12711	9.6
329.13800	6.4
341.13705	12.6
347.14969	5.5
389.21722	3.2
495.04663	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	556.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94123	0.5
54.59100	0.6
55.01876	0.7
55.05507	12.3
57.03422	2.7
57.07079	0.7
59.04989	1.6
61.02897	0.8
67.05492	2.1
69.03424	10.3
69.07061	2.7
69.49029	1.6
69.49424	1.3
71.04967	1.3
73.02909	0.9
79.05478	2.5
81.07054	3.6
83.04976	8.0
83.08616	12.5
85.02903	8.6
85.06540	1.4
87.04469	6.4
91.05450	2.4
93.07037	6.7
95.04963	7.7
95.08600	3.5
97.02885	9.6
97.06514	3.0
97.10144	2.4
99.04452	3.1
105.06999	3.1
107.08585	12.5
109.06537	3.3
109.10167	7.3
111.08070	3.3
115.03933	11.2
115.07571	3.3
119.08564	2.8
121.10139	18.0
123.11721	3.2
125.05972	0.9
125.09628	3.0
129.06999	1.3
131.04950	1.0
131.08530	2.2
133.04980	10.3
133.10114	6.0
135.08041	1.7
135.11684	1.6
137.05991	8.0
139.11160	1.1
145.04985	1.7
147.11667	1.5
149.13249	2.9
151.11160	15.5
153.09102	3.2
157.06415	1.5
163.14824	5.9
167.14316	19.3
169.12222	1.1
173.13248	6.3
175.06114	0.7
175.07536	3.1
175.14824	2.1
187.07524	2.5
189.09091	2.9
191.14302	9.2
209.15358	100.0
210.15747	2.5
217.08662	1.1
227.16408	8.2
240.97705	0.8
259.08099	1.6
260.14746	0.7
288.15945	0.7
291.10049	1.1
295.10217	1.9
311.12820	1.6
313.56210	0.6
323.18658	0.8
341.09949	1.1
341.13785	2.7
341.19409	1.0
342.44855	0.9
474.24457	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	6.8
57.07093	37.3
60.55757	6.4
67.05502	19.5
69.07064	14.0
70.06567	8.8
71.08617	21.4
74.69361	7.4
79.05492	19.6
81.07047	28.5
83.08583	10.8
85.10172	15.0
89.06048	9.1
93.07031	36.1
95.08618	44.1
107.08593	18.2
117.07013	14.5
135.11681	40.0
138.48428	6.7
145.10117	19.9
163.11197	43.4
181.12184	8.8
193.19862	6.7
209.23640	6.6
227.12802	65.8
283.15359	81.5
283.26315	20.3
300.29114	15.8
313.27325	100.0
445.55109	8.2
456.88162	7.1
521.38446	80.2
550.95416	7.6
556.52972	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3296
Annotation	CHEBI:61255
Peak:m/z	Relative Intensity
50.58478	0.2
54.51830	0.2
69.03418	0.2
69.65769	0.4
69.66167	0.6
79.05486	0.2
81.07085	0.2
87.39793	0.2
87.47893	0.2
91.05524	0.4
92.46589	0.2
93.07091	0.2
97.06580	0.3
107.04989	0.2
115.04012	0.2
146.52168	0.2
163.03954	0.6
185.40076	0.2
197.10020	0.2
203.05258	2.6
203.06967	0.2
259.09741	0.6
333.07962	0.3
359.25781	0.2
377.26624	22.8
378.27087	0.9
380.38672	0.2
393.68481	0.2
395.27658	2.4
437.28839	0.4
437.83569	0.2
443.26215	0.2
513.34119	0.3
539.32001	0.6
557.33026	100.0
558.33405	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	557.3453
Annotation	Revandchinone 4
Peak:m/z	Relative Intensity
55.05521	1.1
57.07085	1.4
67.05515	1.8
69.07072	1.1
71.45184	0.6
79.38426	0.6
81.07069	1.2
83.08643	0.8
91.05503	1.3
95.08622	1.0
97.02419	0.5
105.07048	0.6
107.08607	1.0
111.45518	0.6
119.08600	1.0
121.10256	0.6
133.10146	1.0
146.98241	0.6
157.53391	0.5
182.17950	0.6
212.21831	0.6
231.17265	0.6
283.26477	0.9
333.20532	1.2
424.57416	0.5
499.27350	0.8
512.15594	0.7
556.53088	1.4
557.34711	100.0
558.35364	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	557.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01870	2.4
55.05291	2.4
55.05519	26.0
57.03434	8.3
57.07072	4.9
65.03949	3.2
67.05504	39.2
69.07071	13.6
71.04993	2.7
79.05491	40.8
79.05944	2.2
81.03407	3.6
81.07053	34.6
83.04972	3.4
83.08620	8.5
85.06535	3.4
88.81096	1.7
89.06052	4.5
91.05479	36.0
91.06045	1.8
93.07043	33.0
95.04977	8.3
95.08622	23.2
96.18109	2.1
97.06555	4.4
97.10167	4.2
105.07029	36.4
107.04942	4.3
107.08591	16.3
109.06503	3.5
109.10176	11.4
109.10802	1.9
115.05407	2.4
117.07010	16.4
119.08573	23.3
121.06506	3.3
121.10142	11.0
123.08035	3.0
125.09692	2.4
128.06224	4.3
129.07021	17.8
131.08574	24.2
133.10129	20.0
135.08099	2.9
135.11703	7.1
141.06987	8.2
142.07831	2.7
143.08530	19.4
145.10115	20.8
147.08014	3.3
147.11678	20.4
149.09579	2.2
149.13290	3.9
154.07784	3.8
155.08548	16.6
157.10129	20.5
159.11719	16.9
161.13284	12.1
163.14981	2.1
167.08557	6.7
169.10109	16.7
171.08011	2.6
171.11720	21.7
173.13274	8.1
175.14816	6.3
179.08522	3.4
181.10141	14.0
183.11641	15.2
185.13237	12.2
187.14790	6.0
189.12787	4.3
193.10208	2.9
194.11131	2.1
195.11700	8.2
197.13260	11.5
199.14835	10.0
201.16631	2.5
207.11818	3.2
207.13765	6.9
209.13281	6.7
211.14912	5.2
213.16484	9.3
223.14851	5.9
225.16466	2.4
235.14705	2.8
237.16371	3.1
239.17938	2.1
241.19527	6.7
242.35191	2.2
247.16974	3.3
259.20526	15.5
275.19965	3.1
279.16080	4.5
281.17401	13.4
283.26227	2.5
299.23529	2.5
307.20651	2.6
333.24271	8.5
335.23529	2.5
353.25000	2.2
367.25977	2.3
419.32971	4.1
429.31506	6.7
437.34113	13.4
447.32739	19.3
462.63046	2.1
465.33719	23.4
475.98996	2.0
482.64847	2.1
483.34656	14.5
511.37555	2.9
521.36432	9.6
527.36945	4.1
529.38556	9.7
539.37292	100.0
540.37708	4.4
556.52954	4.1
557.38971	50.2
557.53094	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	557.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.4
55.01876	12.8
55.05260	4.6
55.05515	61.1
57.07073	13.4
65.03947	4.5
67.05512	53.9
68.66074	3.5
69.03446	8.5
69.07058	22.5
71.04997	4.7
71.08627	5.5
71.45019	3.9
78.48225	3.4
79.05495	63.8
81.07058	100.0
83.04987	16.3
83.08618	32.2
85.06556	6.8
85.10201	5.6
89.06013	8.1
91.05484	73.0
93.07050	54.3
93.07644	4.7
93.07890	3.4
95.04962	23.1
95.08617	27.2
97.06549	5.0
97.10171	40.4
99.08154	4.3
105.07035	83.3
106.07373	4.2
107.04947	7.0
107.08590	39.3
109.06540	10.1
109.10160	25.4
111.04420	12.2
111.08079	9.2
117.07009	23.7
119.08575	84.7
121.06512	7.7
121.10143	27.8
123.08079	12.7
125.09633	23.9
128.06229	7.1
129.06984	22.7
131.08578	43.5
133.10132	95.6
135.08086	7.9
135.11687	18.6
137.09613	5.5
141.07066	5.6
142.07866	4.5
143.08609	24.5
145.06514	5.1
145.10126	41.0
147.08096	20.0
147.11693	79.0
149.09602	11.4
153.09126	9.1
153.12738	7.6
155.08557	6.8
157.10124	21.5
159.08014	4.4
159.11688	19.3
161.09673	13.4
161.13264	6.0
163.11172	22.5
165.09227	6.8
169.10164	8.9
171.11714	38.4
173.13286	13.9
175.11206	10.6
181.12312	8.2
185.13219	13.4
187.14833	8.9
189.11243	24.4
189.12750	5.9
189.16388	13.8
191.10698	6.1
199.14793	5.2
203.14267	6.8
203.17969	19.0
211.14879	4.5
213.16389	61.4
223.13246	5.6
227.12839	9.6
229.15897	5.9
231.17426	97.4
247.17007	13.2
249.14838	6.6
249.18584	14.0
273.18494	24.6
276.20459	4.7
283.26532	5.6
291.19550	92.0
293.21219	4.6
300.28992	4.8
309.20847	4.6
313.27286	7.6
367.26526	3.9
385.27258	9.1
404.09195	4.7
503.35236	7.1
521.35925	7.5
539.37628	22.7
556.52911	7.5
557.27228	7.6
557.34991	61.6
557.53052	6.9
558.34930	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01453	3.1
69.03421	4.8
70.84055	5.8
71.04982	3.7
79.05490	5.1
81.07073	4.0
85.02896	10.5
91.05496	13.8
93.07050	4.2
95.04953	4.6
97.02914	4.1
103.05471	13.4
105.07024	10.7
107.04956	25.8
109.02904	3.3
109.06532	3.9
109.10146	3.6
117.03369	4.6
119.04945	18.1
121.06478	18.8
127.03927	4.4
129.07048	3.7
131.04921	19.8
132.03941	3.3
133.06502	11.3
135.04453	8.0
135.08060	6.9
137.05983	100.0
137.13226	3.5
145.02863	6.0
146.07306	3.7
147.04369	17.0
149.05983	12.5
151.07536	41.3
157.06538	6.5
158.40840	3.4
161.05977	73.7
161.09647	11.6
162.06650	5.3
163.03894	45.6
163.07571	39.1
165.05496	5.3
165.09140	23.4
167.07103	4.1
175.07585	11.6
177.09119	5.6
179.07098	6.8
181.04948	4.4
181.08636	6.3
187.01781	3.6
189.09114	51.8
193.10458	3.2
195.07997	6.9
197.06081	3.5
207.10167	74.7
216.22891	3.2
219.10178	6.8
223.07527	3.9
225.09253	5.4
227.10735	10.2
236.29141	3.7
248.10736	3.4
253.08583	4.4
253.12218	6.1
255.10223	11.1
285.11279	9.6
287.12766	27.4
301.35397	3.3
311.12595	10.6
313.14304	42.6
325.08835	3.8
331.15399	60.8
343.15387	12.5
579.14166	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	558.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52789	3.2
55.01887	3.3
61.02928	3.4
69.03429	11.3
69.15349	19.0
71.05003	3.3
79.05504	5.4
81.03419	13.3
85.02896	21.9
91.05482	14.4
95.04961	4.8
95.96796	3.3
97.02892	5.6
103.05461	14.0
104.59102	3.1
105.07044	14.4
107.04953	25.5
109.02901	4.3
109.06586	2.9
115.05478	4.7
119.04929	17.4
121.06538	10.6
122.03650	3.3
127.03903	8.6
131.04932	17.9
133.02859	13.3
133.06477	16.0
135.04422	4.4
135.08022	7.0
137.05972	100.0
138.06325	5.9
147.04393	17.9
148.05116	4.8
149.05942	18.1
151.07547	32.4
155.07008	3.5
161.05977	69.3
161.09627	13.9
162.06772	9.9
163.03941	5.0
163.07545	56.3
165.05467	4.4
165.09068	5.5
167.07051	4.4
169.06432	3.3
175.07564	11.7
177.05527	3.5
177.09036	4.0
179.07001	26.5
181.04942	53.8
181.06404	4.7
181.08603	8.6
183.10187	4.7
187.07564	5.1
189.09119	43.3
191.07010	7.2
195.08110	4.6
199.06169	4.1
205.08678	3.7
207.10155	78.2
219.10193	5.5
219.15569	3.7
225.08948	3.8
227.10652	3.4
229.08577	4.8
249.11404	3.2
273.11185	9.1
285.11267	5.0
287.12769	5.9
291.12378	8.7
293.10004	4.5
297.11078	3.9
311.11563	3.7
313.14279	10.0
331.15305	37.3
343.15353	9.8
420.39304	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	558.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84009	1.5
55.01882	3.2
67.05476	1.7
69.03438	6.5
69.31265	9.3
78.87210	1.7
79.05503	4.2
81.03439	4.6
81.07119	2.1
85.02895	14.1
90.45126	1.9
91.05470	18.9
93.07034	2.1
94.04230	1.9
95.04958	2.6
97.02896	5.0
103.05464	17.8
105.07029	8.5
107.04952	27.1
109.10149	2.2
111.36855	1.8
115.05466	3.5
117.07007	2.3
119.04940	18.0
121.06506	6.7
122.03654	6.3
123.11742	3.2
127.03911	6.1
128.06256	1.8
129.07033	4.5
131.04933	36.0
133.06477	6.3
135.08051	9.0
137.05971	100.0
145.04979	6.4
146.07330	3.5
147.04410	14.3
148.05127	2.9
149.05997	11.5
151.07536	43.1
157.06517	5.4
161.05971	69.7
161.09598	16.0
162.06787	7.3
163.03906	2.5
163.07536	81.3
164.08093	1.7
165.09103	4.2
167.07214	2.0
174.06816	3.8
175.07507	16.8
177.09091	17.6
179.06937	10.7
179.10794	1.9
181.04977	4.8
181.08617	12.0
182.02661	1.8
189.09090	49.4
191.06934	4.2
191.10709	2.0
195.08096	5.9
195.10097	3.6
203.07156	1.9
203.10663	2.7
207.08134	3.6
207.10150	74.6
210.06804	2.0
219.10158	9.9
221.06046	4.1
221.09744	2.6
221.11787	6.6
222.06883	2.0
223.07576	2.6
225.09280	2.8
227.10686	9.1
237.08943	2.0
249.09055	2.8
253.08611	2.9
253.12157	4.1
255.10086	9.2
265.08591	4.7
267.10211	2.8
275.09244	2.1
281.11694	2.6
285.11130	6.6
287.12766	27.4
293.75400	2.0
295.26505	1.8
297.11197	4.2
299.12778	4.4
311.12793	19.6
313.14258	30.1
325.14163	2.3
331.15393	67.7
331.19418	3.7
343.15405	12.2
558.21857	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	558.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.0
56.51739	1.5
56.78828	1.2
59.24648	1.2
67.05486	1.5
69.03431	4.2
71.43731	1.2
73.19660	1.2
79.05483	4.4
81.03432	2.6
81.07058	2.9
85.02921	8.3
91.05479	19.3
93.07063	2.4
95.04961	4.9
97.02890	2.4
101.88792	1.4
103.05471	19.6
105.03392	2.1
105.07032	11.0
107.04952	27.2
109.02872	2.0
109.06519	4.6
115.05447	5.5
117.07071	1.7
119.04947	19.9
121.06515	7.3
122.03667	5.5
125.06057	1.9
127.03930	4.7
129.07036	6.6
129.56363	1.5
131.04906	22.4
131.08530	2.0
133.02904	3.6
133.06479	9.8
135.04419	3.0
135.08040	9.0
137.05974	95.1
138.06300	2.5
144.97166	1.4
145.02881	2.2
145.05005	1.7
145.06476	3.9
146.07224	2.6
147.04407	16.0
147.08115	1.7
148.05171	2.3
149.05969	15.5
150.06657	2.1
151.03926	4.4
151.07538	49.3
151.08737	3.0
157.06485	5.6
161.05978	89.8
161.09612	19.9
162.06766	10.1
163.03920	12.7
163.07539	60.1
164.04236	3.9
165.05502	5.5
165.09108	2.0
167.08492	3.4
174.06772	4.6
175.07547	12.8
177.09142	4.6
179.07022	7.1
181.04971	3.5
181.08626	13.4
182.05305	1.6
186.11221	1.7
189.09093	62.7
191.07098	3.4
193.06554	2.5
193.08604	1.8
193.10181	1.9
195.08051	7.8
197.08112	1.8
203.06987	1.5
207.10155	100.0
209.09557	2.5
219.10179	8.1
221.05939	3.4
221.09660	2.6
223.07552	3.9
224.08302	2.2
225.09116	3.7
227.10664	13.0
237.09033	2.3
249.09129	2.0
253.03986	1.5
253.08557	6.4
253.12291	5.9
255.10178	14.4
265.08588	2.7
267.10159	1.9
269.08011	2.9
273.11102	1.9
274.11411	2.1
281.11786	3.9
284.10388	2.0
285.11108	9.0
287.12805	30.5
297.11169	3.7
299.12802	5.7
311.12766	11.1
313.14322	31.8
325.14413	3.8
331.15378	93.8
332.15637	2.1
343.15485	6.4
354.46198	1.4
410.18649	1.5
442.65286	1.5
558.19452	19.7
558.27875	2.7
559.21509	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	558.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.0
56.51739	1.5
56.78828	1.2
59.24648	1.2
67.05486	1.5
69.03431	4.2
71.43731	1.2
73.19660	1.2
79.05483	4.4
81.03432	2.6
81.07058	2.9
85.02921	8.3
91.05479	19.3
93.07063	2.4
95.04961	4.9
97.02890	2.4
101.88792	1.4
103.05471	19.6
105.03392	2.1
105.07032	11.0
107.04952	27.2
109.02872	2.0
109.06519	4.6
115.05447	5.5
117.07071	1.7
119.04947	19.9
121.06515	7.3
122.03667	5.5
125.06057	1.9
127.03930	4.7
129.07036	6.6
129.56363	1.5
131.04906	22.4
131.08530	2.0
133.02904	3.6
133.06479	9.8
135.04419	3.0
135.08040	9.0
137.05974	95.1
138.06300	2.5
144.97166	1.4
145.02881	2.2
145.05005	1.7
145.06476	3.9
146.07224	2.6
147.04407	16.0
147.08115	1.7
148.05171	2.3
149.05969	15.5
150.06657	2.1
151.03926	4.4
151.07538	49.3
151.08737	3.0
157.06485	5.6
161.05978	89.8
161.09612	19.9
162.06766	10.1
163.03920	12.7
163.07539	60.1
164.04236	3.9
165.05502	5.5
165.09108	2.0
167.08492	3.4
174.06772	4.6
175.07547	12.8
177.09142	4.6
179.07022	7.1
181.04971	3.5
181.08626	13.4
182.05305	1.6
186.11221	1.7
189.09093	62.7
191.07098	3.4
193.06554	2.5
193.08604	1.8
193.10181	1.9
195.08051	7.8
197.08112	1.8
203.06987	1.5
207.10155	100.0
209.09557	2.5
219.10179	8.1
221.05939	3.4
221.09660	2.6
223.07552	3.9
224.08302	2.2
225.09116	3.7
227.10664	13.0
237.09033	2.3
249.09129	2.0
253.03986	1.5
253.08557	6.4
253.12291	5.9
255.10178	14.4
265.08588	2.7
267.10159	1.9
269.08011	2.9
273.11102	1.9
274.11411	2.1
281.11786	3.9
284.10388	2.0
285.11108	9.0
287.12805	30.5
297.11169	3.7
299.12802	5.7
311.12766	11.1
313.14322	31.8
325.14413	3.8
331.15378	93.8
332.15637	2.1
343.15485	6.4
354.46198	1.4
410.18649	1.5
442.65286	1.5
558.19452	19.7
558.27875	2.7
559.21509	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	558.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	24.8
56.74440	4.2
57.03441	19.9
57.07074	54.6
61.40997	4.2
67.05508	42.6
69.03426	4.9
69.07067	16.3
69.15435	29.0
70.06575	5.9
71.08629	29.7
73.32622	4.3
73.33026	5.1
79.05497	32.0
81.03418	56.7
81.07056	44.2
83.04986	12.1
83.08609	29.2
85.02899	25.0
85.06561	5.7
85.10191	15.7
88.07621	6.8
91.05479	38.4
93.07036	23.4
95.04973	28.4
95.08603	34.6
97.10207	7.8
105.07041	32.2
107.04977	5.6
107.08595	7.7
109.02098	5.0
109.10171	14.3
111.08073	5.6
119.08582	25.0
121.10139	8.7
123.08093	4.9
129.07030	11.2
131.08624	11.3
133.10149	8.4
147.11703	17.2
149.09573	6.5
151.83344	4.2
157.10132	14.0
175.11195	15.6
175.82494	4.5
193.12268	43.4
194.12640	4.5
211.13303	78.5
267.15897	19.8
285.16980	88.6
313.27383	100.0
505.38467	7.7
523.39893	91.4
524.40302	6.1
558.38397	11.4
558.53595	16.6
577.46326	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	559.2155
Annotation	Roritoxin B
Peak:m/z	Relative Intensity
69.03456	0.5
71.45186	0.5
71.90915	0.5
77.94257	0.5
86.09718	0.5
90.99418	0.5
94.97707	0.5
98.16885	0.5
98.97614	2.1
103.05505	0.7
105.06997	0.6
107.04940	0.7
116.98656	0.6
121.06551	0.7
130.06535	1.1
131.04953	0.8
137.05972	2.8
138.06303	1.2
147.04514	0.6
151.07516	1.0
157.19673	0.5
158.05988	5.6
161.05991	1.7
162.06435	0.6
163.03937	2.3
163.07564	1.8
164.07927	1.0
189.09097	0.9
190.09412	0.7
199.08673	0.9
207.10213	1.0
208.10556	1.1
217.09706	0.6
249.02913	0.9
271.72598	0.5
281.09366	1.0
291.03989	1.7
314.14606	0.6
327.09821	2.2
332.15778	2.0
397.14221	2.7
559.21521	100.0
560.21869	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	559.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95365	0.5
53.56234	0.4
55.01875	0.5
55.05511	1.9
57.03442	0.6
62.88618	0.6
67.05512	3.1
69.07065	0.8
69.96869	1.0
69.97229	1.1
74.09692	0.6
79.05492	2.2
81.07050	2.2
83.04996	0.7
91.05475	2.7
93.07030	2.9
95.04998	0.7
95.08592	1.4
105.07027	2.0
107.04950	0.6
107.08588	1.8
109.10145	0.7
117.07011	1.0
119.08584	1.4
121.10173	0.9
125.09634	1.6
129.07056	0.6
131.08574	1.5
133.10124	0.6
135.11679	0.8
143.08527	0.8
145.10146	1.1
147.11673	0.8
157.10254	0.7
159.11671	1.3
173.13306	0.5
173.56369	0.5
181.36040	0.6
202.26305	0.6
211.76941	0.5
222.42255	0.5
227.12729	0.8
255.08945	0.7
259.20578	0.9
265.17072	0.5
277.21573	0.7
281.09976	0.9
283.09421	100.0
284.09732	1.3
288.47592	0.6
301.09561	2.3
315.23233	0.6
330.17136	0.6
490.21210	0.6
499.31818	0.7
541.35712	3.9
559.29950	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	559.3038
Annotation	Denticulaflavonol
Peak:m/z	Relative Intensity
50.53043	2.5
52.50612	2.7
53.61711	2.8
55.05508	4.7
62.29475	2.6
66.80391	2.3
67.05500	5.3
69.39429	15.2
69.99738	2.4
81.07022	3.5
82.59782	2.7
86.09726	3.4
91.05510	3.7
93.07054	3.5
95.05014	3.0
95.08632	3.3
104.10774	9.4
105.07001	4.1
119.08640	3.6
142.03539	3.7
244.03276	2.9
275.20383	3.2
290.27151	3.2
501.23688	3.4
521.79175	3.5
541.31384	6.3
559.17975	11.1
559.30359	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3244
Annotation	13beta-Hydroxymilbemycin A4
Peak:m/z	Relative Intensity
56.64368	0.4
63.72167	0.4
65.05471	0.4
67.05521	1.1
67.45647	0.5
69.55780	1.2
69.56177	1.0
71.07384	0.7
79.05526	0.6
81.03426	0.7
86.09716	3.3
87.10060	0.6
91.05508	0.5
93.07049	0.5
95.08643	0.8
97.52546	0.5
98.98482	0.9
135.33115	0.5
149.94579	0.5
154.94156	0.5
155.01073	1.0
162.95636	0.6
164.95428	2.2
177.56255	0.5
223.97356	0.6
267.12057	0.6
331.18872	1.1
335.25696	1.1
378.11914	0.5
500.20895	4.6
559.32471	100.0
560.32831	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	560.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.1
55.05514	1.4
57.03180	1.6
57.03440	20.3
59.05012	5.6
60.04522	2.0
61.02926	3.6
69.03429	82.2
69.07066	8.5
70.79524	1.5
70.79854	1.4
71.01379	1.1
73.02914	5.5
75.04457	2.7
81.03432	6.4
81.07056	1.9
83.04982	1.5
83.08618	3.7
85.02908	71.8
85.86485	1.4
87.04469	54.1
91.03938	2.9
91.05469	2.6
93.07071	2.3
95.04983	2.2
97.02895	78.7
99.04460	5.4
103.03909	2.0
109.02878	3.1
111.04469	1.7
111.08089	13.0
115.03931	98.1
119.08577	1.3
123.04403	2.6
127.03916	14.6
133.04967	100.0
137.05957	4.9
139.03906	2.0
145.04973	26.1
149.05977	1.6
151.03928	2.1
163.06035	13.9
167.07036	2.9
169.04956	2.8
183.10175	1.8
187.05998	1.2
201.11230	5.4
213.11154	1.2
223.06067	2.1
229.07199	1.4
241.07111	4.3
259.08112	19.8
277.09146	5.7
295.10226	27.4
325.11273	7.1
335.09378	1.7
560.16309	1.7
560.23669	3.3
561.25378	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	560.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.05511	1.9
57.03431	6.0
67.05518	2.4
69.03436	9.7
69.33953	3.8
69.34353	5.1
71.04977	2.1
75.04471	6.5
77.03897	2.7
79.05486	16.8
79.64376	2.1
81.03414	11.5
81.07047	5.6
81.96842	1.7
85.02898	7.2
89.03906	2.8
91.05473	23.8
93.07040	75.4
95.04935	8.9
95.08593	5.4
97.02885	6.5
98.22754	3.7
103.05456	5.5
105.04522	2.2
105.07033	9.1
107.04981	2.3
107.08581	13.7
109.02887	5.2
109.10168	3.3
111.04461	2.3
111.08067	6.1
117.03356	4.6
117.07022	2.6
119.04939	26.5
119.08556	11.5
121.06493	3.2
121.10133	80.8
122.03653	4.2
123.08058	2.0
127.03941	6.9
129.07025	2.4
131.04950	9.4
131.08554	2.5
135.04381	12.4
137.05969	100.0
139.11206	4.5
145.02847	6.9
145.04955	2.9
147.04396	53.2
147.07935	1.9
149.09612	17.3
151.07523	8.3
161.05957	4.8
163.03897	58.5
163.07527	5.1
167.10678	26.5
175.07561	4.8
177.05406	2.0
179.07031	39.5
187.07570	2.1
189.08989	2.2
191.07076	6.3
191.10728	2.0
197.08093	15.8
201.09087	2.6
241.12389	2.1
253.12550	1.8
259.09775	1.8
266.10721	1.9
275.12628	1.6
281.15588	1.7
282.03989	1.8
293.13876	5.7
311.14816	20.3
315.15948	2.4
325.09164	4.3
327.15991	4.0
329.15790	2.4
335.81519	1.7
345.17056	4.0
441.19183	3.3
471.20016	2.0
534.90515	1.6
560.18317	11.7
561.24188	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	560.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08164	5.3
71.07363	3.1
71.45174	0.6
78.78756	0.7
81.03417	0.7
81.07052	1.5
86.09704	30.7
95.08617	0.5
98.98447	2.7
104.10739	3.6
105.07022	0.7
107.08573	0.6
124.99998	20.4
146.88045	0.6
184.07339	100.0
232.23427	0.5
243.40479	0.6
252.11137	0.6
258.18341	0.5
263.17618	0.5
398.10019	0.6
455.78348	0.7
495.10770	0.6
542.32477	1.2
560.33551	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	561.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56282	0.5
62.81036	0.6
67.05492	0.7
69.03389	1.6
73.02881	1.4
75.94330	0.5
79.05465	0.9
81.03403	1.0
81.07054	0.8
83.69705	0.5
85.02890	0.9
91.05437	1.6
93.07043	1.0
93.74245	0.5
95.04942	2.4
95.08574	1.3
97.02894	0.6
97.82229	0.5
98.23473	1.7
107.04935	2.4
107.08576	0.6
109.02831	1.5
117.06956	0.6
119.08546	1.1
121.02825	0.8
121.06485	0.7
121.10110	0.9
123.04401	0.7
127.03880	1.9
139.03836	0.6
145.06407	0.6
147.04378	1.4
147.11696	0.6
149.05901	0.9
151.03873	1.4
153.05441	0.6
155.03125	0.9
159.00537	5.7
161.87502	0.5
163.03871	0.7
177.05376	0.6
185.04295	1.6
217.09676	0.6
219.06485	0.9
229.06845	1.7
250.95425	0.5
255.08606	1.2
273.07642	0.7
287.05450	2.0
299.07352	0.8
311.07516	0.7
317.08426	37.6
321.05743	8.3
363.10626	1.0
381.11917	0.7
441.13635	25.1
446.97040	0.5
453.10031	74.2
454.10522	1.0
517.17401	0.6
560.32092	0.7
561.15729	100.0
561.30408	3.9
561.33044	3.4
562.15833	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50835	0.3
53.72176	0.3
54.11596	0.3
55.05494	0.7
56.96555	1.1
57.03435	0.5
65.03938	0.5
67.05520	0.3
69.03430	2.2
71.44188	0.4
74.79232	0.3
79.05473	0.5
81.07073	0.6
83.08619	0.7
84.96012	0.9
85.02885	1.0
85.06551	0.4
87.04443	0.5
91.05489	1.9
93.07050	0.7
95.04984	2.5
95.08571	0.3
97.02893	1.0
98.97580	4.1
99.04449	0.5
100.11227	1.5
103.05460	0.4
105.07010	1.5
107.04948	1.0
107.08620	0.3
109.02877	0.6
110.97566	0.6
111.04441	0.5
112.99136	0.3
116.98595	1.6
119.08570	0.3
121.02836	0.4
121.10204	0.4
123.04356	0.6
123.08070	0.3
124.99080	0.9
127.03893	1.1
128.98627	0.3
131.00204	0.3
131.04916	0.3
133.10150	0.6
135.07993	0.4
143.00203	1.8
149.05952	0.4
151.03868	0.7
153.05444	0.5
155.03053	0.3
157.99812	0.9
158.10469	0.3
159.00627	6.7
161.01216	1.1
161.09708	0.6
163.03882	1.8
163.11153	0.3
167.03220	0.6
170.99699	0.3
173.05930	0.3
177.00745	1.2
182.15425	0.6
185.01266	0.9
185.04233	2.2
191.06964	0.3
198.14897	0.4
201.01541	0.7
203.02325	0.3
209.16524	0.5
210.14883	0.7
219.01701	1.6
228.33427	0.3
229.06923	0.6
237.07617	0.7
245.03381	0.3
247.01306	0.3
249.02914	0.4
249.05302	0.4
255.08624	3.0
255.62250	0.3
257.10861	0.3
275.07382	1.1
291.03912	0.9
317.08417	37.7
318.08694	0.5
321.05795	7.9
333.05035	1.1
339.10995	0.6
349.09451	0.4
351.06061	0.6
363.10632	0.4
399.12973	1.2
411.13339	0.4
413.14795	1.7
441.14386	0.7
453.10028	82.2
454.10321	2.0
501.16522	1.5
561.15723	100.0
562.16040	3.0
583.00629	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2522
Annotation	Chloramphenicol palmitate
Peak:m/z	Relative Intensity
50.60463	0.3
51.72393	0.3
55.01865	0.3
56.12010	0.3
56.46334	0.4
58.37580	0.3
69.03429	1.3
69.22742	1.0
69.23135	0.6
72.99104	0.3
85.02916	1.3
87.04466	0.8
91.05514	0.4
97.02913	0.8
98.23540	0.6
115.03933	0.9
116.04236	0.3
133.04971	0.7
134.05312	0.8
138.97824	0.3
140.10240	0.3
145.04988	0.3
158.51115	0.3
163.06039	0.3
163.07727	0.3
191.10400	0.3
200.36093	0.3
231.63074	0.3
249.14749	0.4
275.07379	1.1
333.08054	0.8
335.09494	16.5
367.64600	0.3
384.17413	0.3
405.13577	0.3
429.21204	0.7
479.52542	0.3
503.20892	4.0
543.24109	0.6
561.25201	100.0
562.25592	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.8
55.17865	1.7
56.96570	1.9
67.05505	4.9
71.08622	1.6
71.45192	1.7
79.05488	3.9
81.07050	6.6
83.08652	2.4
91.05475	2.4
93.07029	2.9
95.04961	1.6
95.08601	4.0
105.07037	4.0
107.08588	2.6
109.10136	1.6
117.07003	1.8
121.10175	3.1
125.09600	1.6
132.95795	1.4
133.91048	1.6
145.10089	2.3
184.88417	1.5
189.99562	1.5
209.36827	1.5
227.12782	1.5
263.10486	9.6
283.09427	100.0
301.09558	4.4
533.31500	5.2
543.32196	8.6
561.31018	6.8
561.39526	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	562.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	8.5
55.05515	3.1
65.03944	13.7
67.05525	3.7
69.03427	6.5
69.07068	18.3
70.03745	2.2
73.02927	3.0
73.06552	6.5
77.50835	2.1
79.05492	10.1
81.03412	3.6
81.07049	7.1
83.01366	3.0
83.04992	3.5
85.02905	12.3
85.06518	3.5
91.05483	15.5
93.03400	9.3
93.07016	11.0
95.04409	4.1
95.04967	47.0
95.05534	3.9
95.08596	3.6
97.02898	8.7
97.06529	9.3
103.05492	4.5
105.07051	8.6
107.04954	36.9
107.08602	5.7
109.02924	3.2
109.06528	4.2
111.04431	16.3
115.05439	13.3
115.07579	5.0
117.07021	48.6
119.04940	3.6
119.08591	4.4
121.02861	73.2
121.03825	3.4
121.06504	15.3
123.04406	13.7
123.08035	5.2
123.11696	3.0
125.02364	17.4
125.09563	2.5
127.03905	6.1
129.07008	4.6
131.04965	13.6
133.06433	4.5
135.04439	4.9
135.08032	19.9
139.03900	24.5
145.06480	73.8
147.04404	5.6
147.08041	3.1
149.02324	33.1
149.05914	15.7
151.03877	12.6
153.01828	3.3
153.05487	7.5
155.06038	10.3
159.04427	12.9
161.06071	3.8
161.09668	2.5
163.03918	3.6
163.07542	39.9
165.05501	4.4
165.09163	5.7
167.03416	15.2
173.05975	76.2
175.03830	11.5
175.07568	7.0
177.05499	10.8
177.09167	2.6
179.03427	6.6
180.54500	2.7
181.04996	15.4
189.05423	2.5
191.07019	100.0
192.07422	3.8
193.08615	2.3
197.08092	3.9
199.06000	10.0
201.05481	14.8
205.08640	4.8
209.08087	8.5
219.06512	56.8
223.09657	3.6
235.09706	3.2
237.07541	51.4
237.09753	3.1
253.10735	9.5
263.09073	4.6
281.10135	12.1
281.13382	2.3
287.05405	4.5
299.11334	5.5
305.13843	35.8
306.13834	2.4
313.12750	22.7
323.14853	9.7
329.04932	6.5
333.13284	33.4
337.16501	3.1
347.05890	3.6
351.14380	51.6
351.63568	2.6
365.15860	8.7
365.71588	2.5
383.11124	10.0
401.12262	8.8
561.39648	4.8
562.19531	6.7
562.30457	4.4
562.40015	7.9
563.07715	6.5
563.20459	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	562.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
55.01863	4.9
55.05490	3.7
57.03424	3.6
57.07064	1.9
57.82861	1.3
59.04981	1.4
61.02912	2.2
65.03932	12.6
67.05508	3.7
69.03423	10.2
69.07071	20.4
71.04955	1.7
73.06548	4.9
77.03909	2.1
79.05496	7.9
81.03410	6.0
81.07044	4.6
83.04935	2.4
85.02907	12.0
85.06569	2.0
91.05471	15.5
93.03414	6.9
93.07037	11.8
94.04192	1.8
95.04967	48.4
95.08592	4.3
96.05290	3.5
97.02898	9.2
97.06512	8.1
98.97571	3.1
100.11251	1.9
103.05447	5.9
105.07056	8.7
107.04959	38.4
107.08595	6.3
109.02881	8.1
109.06489	4.9
111.04436	12.6
115.05448	11.2
115.07574	4.3
117.07015	52.5
118.07344	2.1
119.08566	8.3
121.02866	63.4
121.03801	2.5
121.06500	18.9
121.10159	2.3
122.03209	3.7
123.04436	18.3
123.08059	5.3
123.76434	1.5
125.02341	9.9
125.09610	1.7
127.03886	7.4
128.06174	2.2
129.07011	7.9
131.04915	9.3
131.08585	2.0
133.06511	4.7
133.10100	2.5
135.04384	6.6
135.08067	18.7
137.05931	2.5
139.03894	23.9
143.00188	2.1
143.08513	1.5
145.06479	68.1
145.10162	2.4
146.06912	1.9
147.04314	4.1
147.08022	4.5
149.02338	36.0
149.05981	15.3
151.03914	22.2
151.11227	1.7
152.04251	5.7
153.05444	6.4
153.06540	1.6
154.05795	1.9
155.04842	4.6
155.06052	7.0
157.06500	2.2
159.04416	15.3
161.05960	2.3
161.09587	3.7
163.03992	2.8
163.07538	38.3
167.03416	13.1
173.05980	68.2
173.13263	2.1
175.03908	10.5
175.07529	10.9
176.09601	1.5
177.05505	12.1
179.10480	1.8
181.04980	14.4
185.04469	24.1
186.04691	2.5
187.07529	2.2
189.05508	2.4
189.09087	6.4
191.07024	100.0
192.07375	4.8
197.08058	1.7
199.06015	10.0
201.05432	12.7
205.08606	2.6
207.10167	8.4
209.08116	10.7
219.06519	46.4
233.15498	1.9
233.18903	3.1
235.09747	2.5
237.07562	56.7
238.07837	2.7
251.09192	3.0
253.10675	2.2
255.08716	8.6
256.08966	5.4
259.13306	1.8
263.09106	5.8
281.10144	10.6
281.13556	3.1
287.12775	2.4
299.11230	2.9
305.13812	45.8
306.14221	2.1
312.08011	2.5
313.12762	20.3
317.08344	9.2
318.08755	8.3
321.05896	1.8
323.14932	25.1
333.13287	21.9
351.14365	47.9
352.14584	2.4
353.13611	3.4
363.10675	2.9
364.11227	3.9
365.15863	7.0
381.11758	1.9
382.12039	3.5
383.11185	4.7
383.16934	2.8
398.25186	1.7
399.13013	3.3
400.13190	10.1
401.12256	6.9
453.10046	7.7
454.05124	2.0
454.10428	22.4
455.10818	1.8
493.23386	1.6
548.45001	1.7
561.39606	2.5
562.16064	45.5
562.32697	2.0
562.40045	3.6
563.16058	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	562.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
54.38851	0.7
55.01866	2.1
55.05494	1.1
66.86184	0.6
67.05511	1.8
67.53046	0.6
69.03423	3.6
69.07059	1.0
71.04992	35.6
71.44380	0.7
74.25984	0.6
79.05492	5.2
81.03428	3.2
81.07069	3.6
81.85461	0.7
85.02902	3.9
85.06538	7.7
91.05477	2.6
92.05739	0.7
93.07035	1.3
95.04960	3.6
95.08598	1.5
97.02907	5.3
103.05463	5.1
103.14252	0.8
105.03414	0.9
105.07024	41.6
107.04908	1.3
107.08587	1.4
108.04469	4.2
109.02868	3.1
109.10187	0.9
113.05999	6.1
113.96872	0.8
115.05442	8.7
118.04166	2.7
120.08098	1.4
123.51614	0.7
126.05544	1.4
127.03907	3.7
127.07555	17.2
131.04926	1.9
131.07039	7.0
133.06490	42.3
134.06862	1.0
143.06041	4.5
145.08595	76.4
154.65411	0.7
161.05975	100.0
162.06479	0.9
163.03854	1.5
173.08107	1.1
181.04906	1.5
183.71124	0.7
191.09204	4.0
192.40880	0.8
193.08598	93.7
194.08975	1.2
218.66751	0.8
230.27638	0.7
243.15904	2.5
269.17529	0.9
287.05414	0.8
288.05862	0.9
299.11188	1.6
316.22861	0.8
317.12326	1.3
390.26285	0.9
408.27408	3.0
495.09103	0.8
530.19739	1.0
562.19330	1.1
562.33270	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	563.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.7
55.01859	0.6
55.05497	0.4
57.03398	0.3
59.04980	0.4
63.02361	0.8
65.03934	0.5
66.04707	0.3
67.05476	1.3
69.03412	1.1
70.06580	0.5
71.01331	0.3
71.04979	0.4
71.45502	0.4
76.49963	0.3
77.03915	1.0
79.05497	5.4
81.03394	0.8
81.07052	1.9
83.04967	1.1
85.02885	1.2
85.06513	0.5
89.03384	0.5
89.03913	8.7
91.05485	2.0
93.07052	1.7
94.04156	0.6
95.04969	6.1
95.08585	0.5
97.02866	1.1
97.06502	0.8
100.60859	0.3
103.05465	2.9
105.03387	0.7
105.04485	1.0
105.07005	0.9
107.04251	0.6
107.04950	10.7
107.08556	0.8
109.02879	11.0
109.06512	1.6
109.10137	0.3
111.04427	0.8
111.08054	0.4
117.02563	0.6
117.03378	9.5
119.04926	0.7
119.08582	0.7
121.06508	2.5
121.10127	0.6
123.04417	1.0
125.02348	0.9
125.09635	0.3
127.03921	0.4
131.04933	2.9
133.02890	1.0
133.10100	0.5
135.04414	24.5
135.11678	0.8
137.05991	2.3
139.03899	3.8
141.05380	0.3
145.02847	12.9
146.03209	0.5
147.04420	0.7
147.11688	0.3
149.05962	2.2
151.03914	2.5
153.05464	1.2
159.04430	3.5
163.03897	100.0
164.04199	1.0
165.05473	41.2
166.05788	0.5
167.07011	4.9
169.74855	0.3
173.90892	0.3
177.05472	12.7
181.04935	1.4
191.07039	4.2
192.07762	1.1
195.06543	1.9
197.08073	0.4
209.08098	6.0
217.15723	0.3
227.09152	0.4
287.05347	1.7
307.16498	0.6
319.08124	3.6
337.09183	5.0
365.08881	0.5
401.28680	0.9
443.30048	0.3
462.38379	0.3
473.27048	0.7
513.13605	0.6
531.15198	2.3
545.16711	0.4
545.33276	0.4
563.33997	65.0
564.34381	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62777	1.2
54.97478	1.1
56.71533	1.1
58.29291	1.3
59.04996	3.2
60.83239	1.3
67.05505	2.8
69.03429	3.9
70.81707	1.7
71.01344	1.3
77.03934	1.6
79.05466	7.8
81.03428	3.9
83.04967	3.1
85.02914	4.3
91.05492	2.4
93.07069	2.3
93.80087	1.1
95.04965	15.4
97.02884	3.5
103.03936	1.2
103.05490	3.3
107.04955	32.4
109.02876	39.2
109.06507	3.6
111.04433	5.5
111.21937	1.1
112.84908	1.0
121.06478	6.0
123.04440	3.9
125.02370	3.6
126.95827	1.1
127.03946	1.6
129.05481	1.8
131.04947	2.8
133.02902	1.2
135.03372	1.0
135.04411	26.0
137.05988	3.0
139.03894	17.4
141.05518	1.9
149.05978	12.9
151.03891	8.7
153.05484	3.5
157.04991	2.5
159.04298	4.4
165.05484	26.6
167.07039	9.9
175.40234	1.2
177.05458	39.7
183.06499	1.3
195.06502	10.3
203.05510	2.9
209.08083	30.7
214.48170	1.3
235.97707	1.4
261.77588	1.3
265.50391	1.3
269.85962	1.2
299.07510	1.4
315.79910	1.4
337.12869	1.4
351.10599	3.5
365.11813	2.3
366.12732	3.2
369.11835	14.4
382.33951	1.4
383.13589	2.3
401.15033	1.7
563.20905	100.0
564.21307	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.79649	0.3
63.50656	0.3
70.06591	0.5
70.58163	0.5
85.02907	0.4
95.04987	0.3
107.04962	1.2
109.02899	0.8
135.04391	0.8
137.06012	0.7
139.03888	0.6
144.87057	0.3
146.01686	0.4
149.05975	0.5
151.04007	0.6
159.04198	2.0
165.05530	0.5
167.07005	1.1
167.51654	0.3
177.05516	1.3
209.08095	0.8
233.07890	0.4
320.39999	0.4
337.12561	1.2
351.10580	1.0
365.12091	1.0
366.12933	2.6
401.16055	0.4
563.20947	100.0
564.21295	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2102
Annotation	His Tyr Glu Asp
Peak:m/z	Relative Intensity
52.64652	0.3
58.01267	0.4
65.63211	0.4
68.99527	0.4
69.03452	0.4
69.10670	2.5
73.72019	0.4
79.05496	0.4
80.93211	0.4
83.01101	0.7
85.02916	0.3
90.28032	0.4
91.05514	0.5
94.89420	0.4
95.01118	1.1
95.04948	0.6
96.01871	0.7
107.04969	1.5
108.47334	0.3
109.02900	1.0
111.04453	0.5
112.01331	1.0
113.02129	2.2
127.03951	0.3
131.04950	0.7
135.04420	0.6
137.05977	1.1
139.03876	0.7
141.17567	0.4
147.04367	0.5
149.05983	0.5
151.03819	0.5
157.04829	0.5
161.05931	0.5
163.07571	0.8
165.05519	1.4
167.03246	0.9
177.05508	1.2
185.04236	3.0
185.05687	0.7
189.05342	0.6
195.06567	0.4
201.03769	0.7
202.06067	1.0
203.05243	4.8
203.06892	0.4
204.07565	4.1
209.08182	1.2
351.11078	0.4
353.13678	1.1
365.12085	1.0
369.12027	0.6
503.18109	1.0
521.31116	0.4
563.20978	100.0
564.21252	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	564.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.7
57.03427	2.4
61.02934	3.7
69.03437	5.2
71.44093	1.0
73.02930	1.4
81.03424	2.2
85.02910	20.2
87.00830	1.5
91.03988	2.4
91.05515	1.4
97.02894	7.2
99.04491	2.5
103.05487	2.1
107.04963	1.0
107.94372	1.1
109.02880	2.2
115.03966	1.5
115.05457	1.7
118.04178	2.5
118.06555	3.0
119.03431	4.3
123.04440	1.3
127.03947	4.7
131.04912	14.5
133.06494	1.8
139.03912	4.0
141.07014	4.4
143.03432	2.9
143.04889	1.4
145.02934	1.3
145.04990	5.1
145.06554	1.5
146.03673	1.3
146.05995	12.8
147.04422	1.8
149.06012	1.3
152.56770	1.1
155.07071	4.8
157.02841	2.2
157.06526	4.6
159.04463	4.0
159.08052	2.7
160.05208	1.8
161.05994	5.3
162.07701	1.6
163.03928	2.5
167.07043	3.8
168.05685	1.4
169.06525	7.2
171.04405	2.8
173.06024	3.5
175.03970	3.0
175.07550	1.8
176.04694	2.8
177.05453	2.5
178.08632	24.5
180.07661	2.1
180.08757	4.1
180.78294	1.2
185.06088	2.7
186.06776	3.7
187.03906	12.2
187.07570	3.3
189.05479	7.8
190.06279	1.8
190.08647	3.3
191.07027	20.2
191.08662	1.4
192.07790	1.2
193.08482	2.4
196.09668	1.4
197.06001	9.0
199.03864	2.6
201.05576	2.7
201.09137	2.5
203.07143	2.5
204.04164	10.8
205.08649	4.6
207.06485	2.6
208.09843	2.3
209.10548	3.3
211.07544	2.5
213.05461	3.7
214.06238	2.9
215.07043	11.3
217.05046	4.9
217.08653	2.9
218.05917	2.5
219.06526	20.4
221.08067	1.3
222.11247	53.6
223.12048	4.2
224.09291	2.9
224.12866	4.6
225.05640	2.7
229.08621	8.2
230.05766	1.5
231.06696	6.1
232.07321	2.1
233.08092	5.0
235.05991	1.6
238.10849	2.6
240.12320	14.2
242.05827	2.0
243.06598	9.5
245.04469	7.8
245.08073	7.8
247.05952	1.4
247.09666	10.0
249.07620	2.8
249.87665	1.3
257.08060	13.6
260.06824	23.3
262.04852	2.9
263.05527	2.4
273.07684	4.9
275.09125	100.0
276.09668	1.4
277.07043	17.4
282.13394	22.4
287.05597	8.6
293.10315	2.4
296.15070	2.1
301.07053	10.7
312.14374	14.4
319.08112	35.6
337.09180	95.5
338.09460	2.2
342.15479	10.9
354.15472	2.4
355.10049	2.1
367.10425	3.2
384.16446	9.8
385.11325	11.2
393.78027	1.2
402.17587	86.8
564.22894	91.4
565.23297	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	564.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68476	0.8
57.89470	0.8
62.78788	1.0
67.01860	2.8
67.05495	2.0
68.99804	1.6
69.03414	1.2
69.07070	1.9
71.20871	0.9
77.43898	0.8
77.80694	0.8
79.05486	3.8
81.03418	1.6
81.07066	1.4
86.09698	1.1
93.07016	0.8
95.04972	1.8
95.08606	1.2
97.02874	1.0
97.06528	17.5
105.07069	1.2
107.08597	1.1
110.03673	1.1
117.03382	1.0
119.08573	0.8
123.04407	4.8
129.01863	0.9
134.03709	0.7
135.04407	1.5
137.05939	1.7
145.02849	0.9
147.04416	1.0
153.01816	87.7
159.04446	1.1
161.02335	2.0
163.03883	9.9
163.07523	0.8
166.02632	10.0
167.55725	0.8
171.02876	16.7
173.02399	2.6
179.03392	12.5
184.07457	1.3
189.09114	2.3
195.08104	1.0
197.06093	1.1
213.05432	1.0
213.09070	0.9
215.07065	4.5
215.10695	1.6
233.11742	2.7
241.08592	2.0
249.02692	0.9
259.09644	8.3
271.05911	1.2
275.20062	1.1
287.05432	5.9
288.06143	1.5
289.07367	1.1
299.05478	2.6
311.12814	1.9
327.15637	0.9
337.14304	2.3
341.10086	2.1
355.15411	6.9
367.11765	7.8
373.16449	1.6
379.31955	0.8
385.12778	100.0
386.13263	2.4
402.12625	1.2
405.32031	0.9
411.89471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
57.03421	0.6
57.27161	0.4
67.01865	2.3
67.05494	0.9
68.99801	1.3
69.03422	2.0
69.07063	1.2
71.04985	1.1
79.05486	0.7
81.03434	1.0
81.07060	0.9
85.02905	5.1
85.06536	0.5
95.04954	0.7
95.08611	0.5
97.02889	1.7
103.05444	0.5
105.07053	0.7
109.02856	0.7
109.10117	0.8
115.05446	0.5
119.08591	1.0
121.02875	0.8
123.04403	1.0
125.02418	0.5
127.03922	1.7
131.08545	0.7
133.06523	0.8
135.11777	0.8
139.03897	9.2
143.08597	0.5
144.94519	0.5
145.04951	1.1
145.08618	0.6
149.05989	0.8
153.01823	100.0
154.02161	1.0
160.05186	2.0
161.05977	7.2
163.03906	1.0
165.05435	0.5
167.08638	0.6
169.04953	1.7
171.02893	3.5
171.08000	0.5
174.06828	0.7
175.07533	0.8
179.03374	1.3
181.01344	0.9
186.06790	1.0
187.07484	1.3
189.09087	9.1
191.03391	0.6
191.10750	0.8
193.08527	0.8
194.08873	0.7
195.02879	1.2
197.09705	0.8
199.07462	0.6
201.09189	0.5
203.10660	0.5
213.09204	1.2
215.10710	1.9
217.08609	4.4
231.10162	1.9
235.17023	0.6
241.08463	1.2
259.09656	10.6
261.03964	0.5
279.06552	1.6
283.09595	1.3
293.11737	0.6
295.05963	3.9
325.10699	26.8
339.12259	4.1
341.10306	2.6
343.11591	0.5
355.15668	0.7
367.11749	5.0
385.12793	6.4
402.12601	0.6
564.32849	0.7
565.22168	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40776	0.4
53.03945	0.4
53.25985	0.3
55.05508	0.8
57.03436	0.4
59.39548	0.4
67.01859	2.3
67.05499	1.0
68.99775	1.4
69.03426	1.9
69.07059	0.6
69.41866	2.0
79.05479	0.6
81.03382	0.5
81.07048	1.4
83.04962	0.7
85.02892	2.0
86.09718	0.6
91.05480	1.2
93.07059	0.7
95.04989	0.7
95.08582	0.7
97.02890	1.1
97.06496	0.5
105.07050	1.2
107.04919	0.4
107.08597	0.9
109.02870	0.6
109.10120	0.6
111.04411	0.5
115.05421	0.6
117.03340	0.6
119.08606	0.6
120.08114	0.5
121.06544	0.7
121.10162	0.5
123.04433	1.4
123.08044	0.6
127.03922	1.1
128.06163	0.5
129.07086	0.4
129.78500	0.4
130.17737	0.5
131.04918	0.4
131.08588	0.6
133.04939	0.5
133.06532	0.4
133.10175	0.4
135.04410	1.0
139.03899	6.6
143.08563	0.5
145.04955	0.5
145.10237	0.4
147.11682	0.7
149.06009	0.4
149.09641	0.4
151.03903	1.2
153.01828	100.0
154.02069	0.6
155.03365	0.6
157.10158	0.4
157.67383	0.5
160.05203	1.8
161.05988	6.9
161.13171	0.5
163.03909	3.5
164.04184	1.3
165.05496	0.6
165.12723	0.6
167.07069	0.8
167.08482	1.0
169.04999	2.4
171.02916	4.9
173.05965	1.2
174.06654	0.6
175.07552	1.4
177.05478	0.5
179.03413	1.6
181.01291	0.6
184.07352	0.8
185.05994	0.5
185.09625	0.6
186.06815	1.8
187.07497	0.8
189.05525	0.5
189.09109	9.4
189.16377	0.5
191.10632	0.6
195.02884	1.3
195.08061	0.7
199.07538	1.3
203.10645	0.5
213.09109	1.6
215.10718	2.5
217.08531	4.6
219.02946	1.6
231.10301	1.9
235.16936	1.1
241.08636	1.0
259.09671	11.4
271.06052	0.5
279.06494	1.8
283.09601	1.6
295.06058	6.1
297.06107	0.7
316.57364	0.4
325.10690	28.5
326.10855	0.9
337.14465	0.6
339.12329	4.6
341.10214	3.8
343.11673	0.6
349.10483	0.4
355.15372	1.3
367.11734	6.4
385.12717	6.5
464.64618	0.5
563.32153	0.6
564.32471	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	564.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91781	0.8
55.01885	1.4
55.05493	1.5
57.23519	0.7
59.16195	0.7
60.95129	0.7
67.01867	2.7
67.05495	2.6
68.99805	1.1
69.03427	1.1
69.07056	3.6
69.54960	1.6
69.55349	1.6
71.05000	0.9
79.05501	4.3
79.97818	0.7
81.03413	1.3
81.07063	3.0
83.08623	1.2
85.02883	1.3
88.40681	0.7
91.05462	2.5
93.07060	2.3
95.04971	2.1
95.08636	2.0
97.02924	1.1
97.06533	13.4
105.07032	2.0
107.04965	0.7
107.08615	1.1
117.03407	1.1
119.08604	1.4
123.04435	2.2
129.07022	0.8
131.04913	0.9
131.08588	1.6
133.10133	2.1
135.04410	3.5
137.05988	1.9
145.02869	1.7
145.45070	0.9
147.04417	2.1
153.01830	88.3
157.10071	1.3
161.02284	1.1
163.03905	18.1
166.02634	2.0
167.99811	0.8
170.34792	0.7
171.02888	18.9
173.02385	2.2
173.06006	1.5
176.12024	1.4
179.03395	13.3
184.07420	1.6
187.03920	0.9
189.09036	2.0
195.13724	1.1
213.05479	1.9
215.07092	4.3
215.10777	1.8
229.05234	0.8
233.11681	2.6
241.08607	3.0
259.09680	5.9
275.19839	0.9
287.05548	1.9
289.07083	1.4
299.05594	3.8
309.14838	1.0
325.07016	2.0
337.14310	5.6
341.10107	1.6
350.24088	0.8
355.15344	3.9
367.11768	16.1
385.12814	100.0
386.13141	3.5
489.08209	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
55.21669	0.5
58.35677	0.5
61.02930	0.7
69.03439	0.9
69.35688	2.8
73.02919	0.6
85.02916	2.9
91.05500	1.2
97.02887	1.2
118.06575	1.7
120.08103	3.4
121.08484	0.7
127.03949	0.9
131.04921	1.2
133.06566	0.6
134.09645	1.3
139.03915	0.7
145.04936	1.1
146.06024	11.0
161.06015	1.1
162.09055	0.9
163.03941	1.8
165.11507	1.2
166.08664	2.1
178.08626	23.8
179.09077	0.7
180.10204	1.2
180.82875	0.6
186.06833	0.9
187.03897	1.5
190.08594	3.0
191.07074	2.7
192.10176	1.0
196.09732	1.4
197.06047	1.1
204.04243	0.7
207.08885	0.6
208.09775	2.5
209.10475	3.6
215.07108	0.8
217.05203	0.8
219.06482	2.9
222.11252	48.6
223.11989	6.2
224.09235	3.0
224.12804	5.1
229.08713	0.8
238.10674	3.1
240.12306	21.7
243.06743	0.7
245.08136	0.9
247.09680	1.1
257.08102	1.5
260.06894	2.8
272.32693	0.7
275.09097	11.9
277.07138	1.3
282.13382	13.6
287.05569	0.9
294.85120	0.6
296.14929	3.0
301.07211	1.1
310.12952	0.9
312.14395	22.3
319.08234	3.9
337.09128	9.5
342.15366	5.8
354.15472	4.3
367.10306	0.8
384.16519	17.3
385.11380	0.9
402.17593	74.0
403.17957	2.1
497.76038	0.6
564.22913	100.0
565.23047	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	564.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70802	2.8
51.47777	2.6
53.03947	10.3
55.01872	8.1
55.05517	4.8
56.93385	2.5
65.03944	10.1
67.05497	6.8
69.03430	28.7
69.07075	6.3
71.01342	4.0
71.04994	5.7
73.02901	4.7
76.25346	2.9
79.05491	12.9
81.03418	36.9
81.07062	6.7
83.04961	5.4
85.02919	15.9
86.09674	4.6
91.05492	20.7
91.71370	2.7
93.03399	6.6
93.07050	11.9
95.04969	58.5
97.02889	47.9
97.06540	11.6
99.04456	13.5
103.05472	8.5
105.03367	3.2
105.04515	3.6
105.07058	10.2
107.04963	38.9
107.08581	6.8
109.02882	89.9
109.06524	7.5
111.04473	8.5
115.05475	19.4
117.07017	66.7
119.08596	10.1
121.02879	42.0
121.06500	21.4
123.04427	28.7
124.99999	3.5
125.01536	3.2
125.02342	14.8
125.43240	2.5
127.03918	44.5
128.06255	5.9
129.07037	8.9
131.04916	16.9
133.06485	5.5
135.04440	7.1
135.08054	22.8
139.03906	25.7
145.05014	12.0
145.06476	92.0
147.04398	7.1
147.08032	5.1
149.02356	18.9
149.05946	20.0
151.03925	11.0
153.05511	7.4
155.06053	12.0
159.04442	18.0
161.05930	7.1
162.03120	4.4
163.03880	6.6
163.07536	46.4
165.05481	3.9
167.03401	23.1
167.06963	3.2
173.05986	100.0
175.03914	12.7
175.07544	8.2
177.05417	13.8
181.05000	7.8
184.07356	15.8
185.04448	8.1
187.07507	3.5
189.05557	3.5
189.09015	3.9
191.07027	97.4
199.05988	5.9
201.05389	15.3
205.08559	14.1
209.08093	6.6
215.07114	6.3
216.22256	3.0
219.06514	85.7
223.09566	7.7
225.09027	3.6
233.08070	4.5
235.14803	4.8
237.07565	94.6
243.10173	4.9
243.88548	3.1
251.09164	12.9
255.08626	16.1
259.09692	7.4
269.10257	11.0
277.74728	3.3
291.42554	2.7
293.06592	8.9
305.34064	2.8
311.07584	12.7
311.12796	6.3
325.09067	4.0
327.08749	3.7
327.16122	3.7
337.14438	11.0
343.10379	2.9
345.09555	18.6
355.15421	23.6
355.57819	2.8
363.10760	42.2
377.12378	26.3
381.11777	44.0
395.13394	10.0
413.14133	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	564.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66482	1.8
51.81147	2.7
53.03940	4.1
55.01859	2.8
55.05503	10.2
57.03435	2.8
57.07067	3.1
58.93941	2.0
60.07455	1.8
61.02926	6.9
63.63208	1.9
65.03946	2.9
67.05509	17.5
69.03427	16.4
69.07069	20.9
71.45582	2.5
73.02912	2.4
75.58624	2.0
79.05489	18.5
79.56188	2.0
81.03408	8.6
81.07056	93.9
83.08622	4.8
85.02908	95.7
86.09721	10.6
88.16691	1.8
91.03954	3.8
91.05481	10.5
93.07043	48.4
95.04971	5.9
95.08606	48.6
95.56661	2.1
97.02895	25.1
97.10162	4.7
99.04482	3.5
103.03959	2.3
105.04514	2.7
105.07050	9.1
107.04987	2.4
107.08585	23.1
109.02876	11.7
109.10155	36.6
111.11720	2.5
117.06964	2.1
121.06451	3.2
121.10142	100.0
123.11727	13.7
125.00007	6.0
127.03912	34.8
135.11685	20.0
137.13232	6.5
145.04956	62.4
147.95291	2.6
149.05974	3.6
149.13258	35.8
159.04465	2.1
163.06030	29.0
163.14812	3.1
173.05969	5.0
184.07336	37.3
205.19496	21.5
219.06671	2.6
231.32704	2.3
237.07695	2.9
289.09235	3.6
325.11435	10.3
363.10846	2.2
503.89572	2.1
546.31891	2.9
564.32245	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49918	2.7
54.72057	2.6
55.05502	9.7
67.05491	10.2
69.07082	4.2
71.11248	3.5
79.05495	13.6
81.07050	25.6
83.08619	6.0
91.05476	13.1
93.07034	13.6
95.04955	6.9
95.08577	5.2
97.10139	4.8
105.07025	10.1
107.04949	4.0
107.08588	7.0
109.06515	6.3
109.10144	2.8
117.06985	6.7
119.08573	11.7
121.06530	4.7
121.10170	5.1
129.07021	5.7
131.08572	7.3
135.08054	3.7
136.93129	6.9
143.08559	4.0
145.10104	7.8
147.08044	6.0
147.11665	8.8
149.09656	3.0
154.94151	15.0
157.10083	3.1
159.11662	3.0
161.09619	5.4
163.11201	4.8
171.11708	8.5
172.95282	16.4
174.98534	3.8
181.12181	3.3
189.11226	7.7
189.12817	7.3
190.96191	5.1
191.10764	3.9
207.13800	15.0
213.00168	8.8
223.13312	4.1
227.12787	3.8
228.97861	4.1
255.17494	4.0
273.18539	21.9
291.19519	100.0
309.20575	9.2
477.24304	2.9
505.23734	4.6
523.23438	16.6
556.77399	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1554
Annotation	Apiin
Peak:m/z	Relative Intensity
57.03411	0.1
61.02904	0.1
63.35052	0.1
67.01846	0.3
68.99792	0.2
69.03400	0.1
70.58482	0.2
73.02557	0.1
73.02915	1.8
73.90778	0.1
85.02866	0.3
89.07999	0.1
91.05447	0.1
97.02884	0.2
99.39517	0.1
115.03873	0.2
116.05630	0.1
119.04937	0.8
121.02850	0.4
133.04883	0.1
137.05893	0.1
145.02824	0.4
148.17924	0.1
153.01822	2.7
153.03061	0.2
163.03862	0.3
167.06969	0.1
171.02856	0.2
181.58580	0.1
187.03822	0.1
225.05486	0.2
229.04979	0.1
243.06345	0.2
254.05878	0.1
271.05978	100.0
272.06317	2.9
287.05521	0.2
403.10361	0.2
433.11273	17.4
434.11560	0.6
459.66965	0.1
505.19821	0.1
565.15259	0.4
565.23035	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01855	2.2
55.05259	0.7
55.05509	13.3
57.03441	0.7
57.07059	0.6
57.91932	0.6
59.04976	0.9
65.03925	1.2
67.05499	7.6
69.03410	1.5
69.07064	3.9
70.97700	0.4
71.01342	1.0
71.04992	0.9
71.45792	0.5
79.05486	6.8
81.03394	2.2
81.07052	6.9
83.04973	3.3
83.08623	3.6
85.02898	1.7
85.06522	0.9
86.09679	1.0
87.04457	0.6
88.14955	0.6
91.05475	7.9
93.07059	3.9
95.04968	4.6
95.08612	3.3
97.02860	1.1
97.06530	1.3
97.10157	2.3
99.08074	0.5
100.11228	1.3
103.05443	1.3
105.03381	0.6
105.07035	3.0
107.04955	4.9
107.08575	2.7
109.02147	0.5
109.02847	2.0
109.06520	1.2
109.10156	1.5
111.04421	1.8
115.05444	3.5
117.03312	1.1
117.07004	1.7
119.08581	1.0
121.06467	1.7
121.10129	2.0
122.69990	0.5
123.04439	3.0
123.08047	0.6
125.09609	1.4
127.03936	0.7
128.06223	1.0
129.06972	2.9
131.04872	1.6
131.05783	0.6
131.08549	2.3
133.02792	1.0
133.06482	1.9
133.10126	2.3
135.04407	1.2
135.11684	1.4
137.05927	3.4
139.03891	1.6
139.05367	0.9
141.06993	2.8
143.04922	1.7
143.08554	0.8
145.06442	2.7
145.10103	3.0
147.04396	1.3
147.08057	0.8
147.11673	0.9
149.05978	2.1
149.09590	1.5
151.03870	2.5
151.07588	0.8
152.06165	0.8
153.01767	0.9
153.05342	0.6
153.06975	3.5
155.04898	1.8
155.08527	1.9
157.06470	2.3
157.10089	1.3
159.04391	0.7
159.08043	1.0
161.05980	12.8
163.03885	5.1
163.07507	0.9
163.11208	2.7
165.05457	3.8
165.06973	1.6
167.04922	1.4
167.07034	5.5
167.08540	1.7
169.06476	3.4
171.04349	1.0
171.08096	0.8
173.05974	89.6
173.09601	2.8
174.06323	1.5
175.03918	3.1
175.07542	2.8
177.05482	3.3
179.08525	1.3
181.04948	1.1
181.06448	6.9
183.04475	0.7
183.08025	1.3
184.07314	2.0
185.05963	4.7
187.03839	1.2
187.07521	11.3
189.05444	5.3
189.09062	1.0
191.03340	1.5
191.06999	1.4
191.08736	0.7
191.10603	3.1
193.06462	0.9
193.10107	0.9
194.07289	0.6
195.06458	0.7
195.08054	2.6
197.05931	7.7
197.09612	1.0
198.06767	1.3
199.03874	1.7
199.07526	17.5
201.05446	42.2
201.08974	1.2
202.05927	0.6
203.06998	2.7
207.08000	1.7
207.11681	0.6
209.06038	1.3
210.06732	1.8
210.14778	0.7
211.07513	10.5
212.08241	0.8
213.05457	14.7
213.09007	7.3
214.06137	1.0
215.03413	0.8
215.07013	8.1
217.04945	82.8
218.05164	0.7
221.09724	1.2
221.13200	1.0
223.07507	3.0
224.08255	1.1
225.05452	8.1
225.08913	2.9
226.06212	2.0
227.07014	17.1
227.10696	1.5
228.07530	0.9
229.04962	12.7
229.08401	0.7
231.06429	1.4
235.07524	1.5
237.09105	1.6
239.06966	2.3
239.10689	1.4
241.04964	1.6
241.08575	2.3
241.12164	1.3
243.06567	4.7
249.09164	1.9
249.12708	3.0
251.06993	0.9
251.10735	0.9
253.08646	3.0
253.12508	0.6
255.13782	1.1
257.08075	1.2
257.15329	1.1
263.14233	0.6
265.12079	2.6
267.09842	0.5
267.10876	0.9
267.13779	9.6
271.06003	1.8
275.10620	1.0
277.12177	0.9
281.15308	3.8
283.13345	3.2
285.14774	3.6
291.13742	5.9
293.11572	1.8
295.13226	2.4
299.16013	0.9
301.11951	0.6
301.70789	0.6
309.14783	6.6
311.12759	18.4
311.16104	0.7
313.14307	27.5
319.13263	2.6
327.12384	1.0
327.15860	7.1
329.13803	100.0
330.14136	2.4
337.14313	25.3
347.14673	2.0
355.15378	73.2
356.15707	1.7
373.16434	31.9
374.16608	0.7
385.13120	0.6
387.14258	1.0
391.17661	1.0
485.17831	1.8
529.20551	1.0
547.21460	1.8
565.21545	4.4
565.31287	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.7
55.01870	1.8
55.05513	4.4
57.03430	0.6
60.08142	0.6
60.78909	0.5
65.03944	1.4
67.05161	0.7
67.05506	10.4
68.99812	0.6
69.03416	1.5
69.07065	1.7
69.34205	0.5
71.04987	1.4
79.05482	8.5
81.03413	5.3
81.07056	8.0
83.04974	1.8
83.08614	2.5
85.02895	1.0
85.06541	2.7
86.09690	1.8
89.03933	0.5
91.05488	11.7
93.07046	7.8
95.04967	3.7
95.08607	3.9
97.06538	2.7
97.10156	1.9
98.53458	0.6
103.05464	1.2
105.03374	0.7
105.04488	0.6
105.07038	6.9
107.04947	2.4
107.08588	3.5
109.02885	0.6
109.06519	1.0
109.10147	4.4
111.08060	0.9
115.05427	3.7
117.03371	0.7
117.07020	2.1
119.04919	1.6
119.08571	5.0
121.06502	1.3
121.10165	4.5
123.04446	1.3
123.08032	0.8
123.11700	1.0
124.99981	0.7
125.09635	1.6
128.06218	1.0
129.07022	2.5
131.04926	2.6
131.08533	3.4
133.02873	3.2
133.06499	1.1
133.10126	4.8
135.04437	1.3
135.08032	1.0
135.11690	0.7
135.89053	0.6
137.05984	2.5
137.09659	1.2
139.05382	0.7
141.06981	4.1
143.04898	1.7
145.02834	0.8
145.06491	1.3
145.10077	0.7
147.04425	2.9
147.11743	1.8
149.06001	1.5
149.09619	2.1
151.07571	0.6
151.11151	1.0
152.06230	0.7
153.01848	4.1
153.05321	0.6
153.06978	2.3
154.02165	2.1
155.04866	1.1
155.05988	0.5
155.08571	1.2
157.06482	2.5
157.10123	1.0
159.04370	3.5
161.02336	3.1
161.05986	1.9
163.03908	7.3
165.05659	0.7
165.06998	1.8
165.09200	0.6
165.12790	0.7
167.07080	4.8
169.06487	3.7
171.02872	1.6
171.04413	3.8
173.02315	4.0
173.05963	2.9
175.03889	5.8
175.11116	0.9
177.05482	1.2
177.45605	0.6
179.03372	2.2
179.04816	0.9
179.08498	1.0
181.04939	2.2
181.06476	3.5
183.04486	1.1
183.06297	0.5
183.08046	0.9
184.07335	2.0
185.05981	4.0
187.03902	10.8
187.07564	1.1
189.01797	7.0
189.05472	3.0
191.07030	1.9
193.04929	2.4
193.06499	1.5
195.08044	1.1
197.05977	14.7
197.07771	1.0
198.06743	0.9
199.03903	41.0
199.07597	1.6
200.04501	1.1
201.05428	3.8
203.03423	0.7
203.08607	0.8
205.04863	0.8
205.06615	1.1
207.02904	9.6
207.08138	1.3
208.05161	0.9
209.05989	1.7
211.07602	3.8
213.05469	12.4
215.03416	2.3
215.07033	1.3
217.04947	12.2
219.08112	0.9
221.05949	1.5
221.09567	0.7
223.07498	1.6
225.05461	24.2
226.06091	1.0
227.07010	5.2
229.05075	0.8
234.06407	0.6
235.07510	1.7
235.09610	0.9
236.08316	0.6
237.05383	1.6
237.09094	0.8
239.07030	10.9
241.04976	0.8
241.08575	1.8
245.09698	1.0
249.05415	1.3
249.09283	0.8
251.07077	3.8
253.08563	4.3
255.06284	1.0
258.10437	0.9
261.09427	0.6
263.14261	1.0
265.08539	1.0
267.10825	0.9
267.13806	6.0
271.05911	1.3
273.12665	2.2
277.08524	1.2
281.11728	0.6
283.10944	1.2
291.10565	0.8
291.13773	3.9
293.11758	1.7
293.15259	1.2
301.12244	5.1
309.14828	3.8
311.12744	6.8
311.16367	2.1
319.13257	18.6
327.15927	2.1
329.10306	0.7
329.13821	1.3
337.14319	100.0
338.14639	2.1
339.12274	1.0
355.15384	41.9
356.15512	0.9
369.13074	0.7
373.16284	2.5
385.12924	2.8
386.13126	5.3
505.26740	1.1
535.19421	1.0
560.07361	0.6
565.20862	4.2
565.28955	1.5
565.36371	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	565.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.01875	3.4
55.05511	6.1
57.03427	1.5
65.03934	1.6
67.05502	18.8
69.03419	2.0
69.07049	6.7
71.04994	3.0
77.03930	1.1
79.05489	28.2
81.03416	13.7
81.07052	24.7
83.04988	7.1
83.08622	5.6
83.99476	0.9
85.02882	1.4
85.06564	1.5
89.03911	6.2
91.05474	26.1
93.07037	13.2
95.04962	9.7
95.08594	7.4
97.02914	1.4
97.06538	5.8
98.06847	1.3
98.23438	2.9
103.05470	2.1
105.04568	1.2
105.07019	16.6
107.04971	6.3
107.08580	6.3
109.06522	3.4
111.08048	2.1
115.05465	3.1
117.03380	8.1
117.07011	2.7
119.08590	13.8
121.10126	5.8
123.04472	1.5
123.08058	2.1
123.11732	3.8
125.09653	1.2
128.06229	1.5
129.07008	9.3
131.08571	5.9
133.02840	4.5
133.06483	1.8
133.10121	17.3
134.03630	2.5
135.04393	13.7
135.08098	1.2
135.11710	3.1
137.05981	1.0
139.03981	1.1
141.06960	1.9
142.07693	1.9
145.02855	9.4
145.06483	1.7
145.10114	2.3
147.04395	2.1
147.08017	1.8
147.11694	12.9
149.05983	4.3
149.09644	2.8
149.13272	1.4
151.11218	1.2
153.01820	21.5
153.07095	1.1
154.02168	7.5
157.06483	3.9
157.10143	10.6
158.10857	1.4
159.04388	3.5
159.11690	1.5
161.02353	12.1
161.05984	2.6
162.03127	1.2
163.03896	76.8
163.11137	1.6
165.05473	2.1
165.06996	1.6
165.12726	3.5
165.33630	1.0
169.06425	1.3
171.02870	3.3
171.04266	1.5
172.03271	2.2
173.02338	11.0
173.05981	3.8
175.07584	1.5
175.11153	15.0
175.34030	1.0
176.11980	14.7
177.05409	1.3
177.12735	4.7
179.03410	2.3
180.03636	1.2
183.04488	2.2
185.05923	6.2
187.03914	16.7
189.05418	1.2
193.12250	20.1
197.05904	1.8
199.03909	11.0
199.07504	1.4
201.05550	1.8
211.07599	2.4
211.13281	9.0
213.05449	23.1
213.08937	1.4
215.07036	2.0
217.04958	1.4
225.05467	10.1
227.07065	3.0
231.06500	1.7
235.07574	1.1
239.07005	7.3
249.05579	2.2
251.06940	1.7
253.08611	2.2
291.13904	1.4
293.15112	1.9
309.14905	7.3
311.16504	2.2
319.13193	7.4
327.15869	4.5
337.14310	100.0
338.14807	3.8
355.15378	46.0
373.16388	1.8
385.12671	6.4
386.13132	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	565.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01855	2.2
55.05259	0.7
55.05509	13.3
57.03441	0.7
57.07059	0.6
57.91932	0.6
59.04976	0.9
65.03925	1.2
67.05499	7.6
69.03410	1.5
69.07064	3.9
70.97700	0.4
71.01342	1.0
71.04992	0.9
71.45792	0.5
79.05486	6.8
81.03394	2.2
81.07052	6.9
83.04973	3.3
83.08623	3.6
85.02898	1.7
85.06522	0.9
86.09679	1.0
87.04457	0.6
88.14955	0.6
91.05475	7.9
93.07059	3.9
95.04968	4.6
95.08612	3.3
97.02860	1.1
97.06530	1.3
97.10157	2.3
99.08074	0.5
100.11228	1.3
103.05443	1.3
105.03381	0.6
105.07035	3.0
107.04955	4.9
107.08575	2.7
109.02147	0.5
109.02847	2.0
109.06520	1.2
109.10156	1.5
111.04421	1.8
115.05444	3.5
117.03312	1.1
117.07004	1.7
119.08581	1.0
121.06467	1.7
121.10129	2.0
122.69990	0.5
123.04439	3.0
123.08047	0.6
125.09609	1.4
127.03936	0.7
128.06223	1.0
129.06972	2.9
131.04872	1.6
131.05783	0.6
131.08549	2.3
133.02792	1.0
133.06482	1.9
133.10126	2.3
135.04407	1.2
135.11684	1.4
137.05927	3.4
139.03891	1.6
139.05367	0.9
141.06993	2.8
143.04922	1.7
143.08554	0.8
145.06442	2.7
145.10103	3.0
147.04396	1.3
147.08057	0.8
147.11673	0.9
149.05978	2.1
149.09590	1.5
151.03870	2.5
151.07588	0.8
152.06165	0.8
153.01767	0.9
153.05342	0.6
153.06975	3.5
155.04898	1.8
155.08527	1.9
157.06470	2.3
157.10089	1.3
159.04391	0.7
159.08043	1.0
161.05980	12.8
163.03885	5.1
163.07507	0.9
163.11208	2.7
165.05457	3.8
165.06973	1.6
167.04922	1.4
167.07034	5.5
167.08540	1.7
169.06476	3.4
171.04349	1.0
171.08096	0.8
173.05974	89.6
173.09601	2.8
174.06323	1.5
175.03918	3.1
175.07542	2.8
177.05482	3.3
179.08525	1.3
181.04948	1.1
181.06448	6.9
183.04475	0.7
183.08025	1.3
184.07314	2.0
185.05963	4.7
187.03839	1.2
187.07521	11.3
189.05444	5.3
189.09062	1.0
191.03340	1.5
191.06999	1.4
191.08736	0.7
191.10603	3.1
193.06462	0.9
193.10107	0.9
194.07289	0.6
195.06458	0.7
195.08054	2.6
197.05931	7.7
197.09612	1.0
198.06767	1.3
199.03874	1.7
199.07526	17.5
201.05446	42.2
201.08974	1.2
202.05927	0.6
203.06998	2.7
207.08000	1.7
207.11681	0.6
209.06038	1.3
210.06732	1.8
210.14778	0.7
211.07513	10.5
212.08241	0.8
213.05457	14.7
213.09007	7.3
214.06137	1.0
215.03413	0.8
215.07013	8.1
217.04945	82.8
218.05164	0.7
221.09724	1.2
221.13200	1.0
223.07507	3.0
224.08255	1.1
225.05452	8.1
225.08913	2.9
226.06212	2.0
227.07014	17.1
227.10696	1.5
228.07530	0.9
229.04962	12.7
229.08401	0.7
231.06429	1.4
235.07524	1.5
237.09105	1.6
239.06966	2.3
239.10689	1.4
241.04964	1.6
241.08575	2.3
241.12164	1.3
243.06567	4.7
249.09164	1.9
249.12708	3.0
251.06993	0.9
251.10735	0.9
253.08646	3.0
253.12508	0.6
255.13782	1.1
257.08075	1.2
257.15329	1.1
263.14233	0.6
265.12079	2.6
267.09842	0.5
267.10876	0.9
267.13779	9.6
271.06003	1.8
275.10620	1.0
277.12177	0.9
281.15308	3.8
283.13345	3.2
285.14774	3.6
291.13742	5.9
293.11572	1.8
295.13226	2.4
299.16013	0.9
301.11951	0.6
301.70789	0.6
309.14783	6.6
311.12759	18.4
311.16104	0.7
313.14307	27.5
319.13263	2.6
327.12384	1.0
327.15860	7.1
329.13803	100.0
330.14136	2.4
337.14313	25.3
347.14673	2.0
355.15378	73.2
356.15707	1.7
373.16434	31.9
374.16608	0.7
385.13120	0.6
387.14258	1.0
391.17661	1.0
485.17831	1.8
529.20551	1.0
547.21460	1.8
565.21545	4.4
565.31287	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01872	2.2
55.05502	7.4
57.03431	1.9
60.15337	1.1
65.03955	1.8
67.05502	13.5
69.03428	2.6
69.07057	4.2
69.17802	3.7
69.18230	3.6
71.04996	1.5
79.05495	15.8
81.03416	23.4
81.07061	15.9
81.63468	1.0
83.04975	4.7
83.08616	3.9
89.03905	3.8
90.19613	1.0
91.05482	16.4
92.04583	1.0
93.07035	16.8
95.04961	8.4
95.08618	5.4
97.06523	6.2
97.10145	3.2
98.23533	2.0
105.06433	1.7
105.07040	16.0
107.04939	4.1
107.08573	5.1
109.06519	3.7
109.10159	3.5
111.08075	2.8
115.05449	3.0
117.03358	3.3
117.07011	2.6
119.08570	9.8
120.69396	1.1
121.10129	7.3
121.10848	1.1
122.37736	1.2
123.04409	1.9
123.08104	1.3
123.11690	1.8
127.33714	1.0
128.06133	1.0
128.44247	1.1
129.07022	6.6
131.04915	1.3
131.08543	5.7
133.02835	3.2
133.10130	9.1
135.04395	4.6
135.11676	1.8
135.88637	1.1
141.07005	2.3
143.87201	1.1
145.02840	4.9
145.10146	2.1
147.04407	4.0
147.08041	1.7
147.11688	8.9
149.05936	3.6
149.09624	6.2
153.01811	11.8
154.02129	5.1
155.08488	1.3
157.06454	3.4
157.10092	4.5
159.04427	7.6
161.02380	6.5
161.05998	1.6
163.03905	40.1
164.04184	1.5
165.12704	2.1
169.06508	1.5
171.03003	1.4
171.04456	2.1
173.02362	13.9
173.05980	4.5
175.03864	2.2
175.11180	6.9
176.11995	10.9
177.12781	1.3
179.03441	1.3
183.07924	1.3
185.05984	4.9
187.03885	12.7
187.07616	1.3
193.12245	6.2
197.05977	2.0
199.03853	7.9
199.07703	1.2
201.05414	3.8
201.09061	1.2
203.03571	1.8
211.07579	1.7
211.13351	3.2
213.05470	17.0
215.01326	1.4
215.07080	1.8
219.02917	1.1
225.05469	5.5
227.07031	2.6
229.04950	1.2
234.50259	1.0
239.06996	2.7
265.12253	1.7
267.13791	17.2
283.13297	3.7
293.11658	4.2
293.15347	6.5
309.14792	5.3
311.12714	15.4
311.16357	9.5
319.13272	3.6
327.15845	4.7
329.13718	2.3
337.14325	48.6
338.14691	1.7
339.92746	1.3
355.15384	100.0
356.15738	4.9
373.16479	4.4
385.12640	6.8
386.13089	13.1
468.10120	1.3
502.17209	1.1
558.35608	1.2
565.29047	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	565.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
53.76616	0.7
55.01864	1.7
55.05506	6.7
57.03413	1.0
63.06324	0.7
65.58600	0.7
65.95678	0.7
67.05164	0.9
67.05502	15.1
67.10291	0.7
69.03426	1.8
69.07063	4.9
70.06552	2.0
71.04975	1.6
71.53324	0.8
77.03925	1.0
79.05045	1.5
79.05491	21.1
80.06261	0.9
81.03416	13.8
81.07053	19.7
83.04967	4.7
83.08623	4.5
83.09026	0.8
85.06551	1.4
89.03902	4.7
91.05473	22.5
93.07040	12.3
95.04955	8.4
95.08595	4.6
97.06525	2.3
104.73683	0.7
105.04548	1.5
105.07024	14.1
106.07825	0.8
107.04940	5.1
107.08604	3.5
109.06507	2.6
109.10152	1.3
111.08087	2.3
115.05446	2.8
117.03384	7.7
117.07004	3.3
119.04877	0.8
119.08569	9.9
121.10143	3.0
121.13073	0.8
123.08066	1.5
123.11676	1.4
128.06189	1.4
129.07007	8.2
131.04900	1.3
131.08563	8.3
133.02856	3.3
133.06480	1.6
133.10123	12.2
134.03625	2.4
135.04404	13.1
135.11676	1.1
137.09660	1.5
141.07005	2.1
142.07779	1.6
143.04903	1.3
145.02840	10.2
145.10066	1.1
147.08034	1.4
147.11682	11.1
149.05981	1.1
149.09576	1.7
149.13251	1.6
153.01819	2.3
154.02191	1.0
157.06477	3.3
157.10115	8.7
158.10800	1.0
159.04391	2.4
159.11681	2.4
161.02313	9.1
162.03088	0.9
163.03896	62.2
163.11121	1.0
165.12758	1.8
173.02350	11.8
173.05927	1.6
175.03925	0.9
175.11145	12.3
176.11940	14.0
177.05405	0.7
177.12733	5.1
179.03386	0.9
184.07333	1.5
185.06027	4.8
187.03871	16.5
187.07623	0.8
189.05540	1.0
191.03365	1.3
193.12227	19.2
197.05980	1.7
199.03871	9.4
211.07527	2.3
211.13248	7.5
213.05453	20.5
217.04938	1.8
219.02895	1.0
225.05423	8.8
227.07057	3.2
231.06526	2.5
237.05455	1.1
239.07022	7.4
241.08678	0.9
249.05527	1.1
251.06963	1.1
253.08595	2.7
255.06606	1.0
271.05954	1.1
291.13669	0.8
293.15283	0.9
301.12143	1.2
309.14655	4.8
319.13269	8.2
327.15811	1.3
337.14304	100.0
338.14627	2.7
355.15366	28.2
355.45743	0.8
373.16333	1.6
386.13065	4.1
521.83112	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
54.52594	1.2
55.01865	2.6
55.20149	1.1
56.76022	1.4
57.03423	4.0
61.02916	2.7
67.05495	1.9
68.01820	1.1
68.04999	1.4
69.03432	11.1
69.07088	1.2
70.02951	3.0
71.04998	2.0
71.45083	1.4
73.02908	1.7
76.73382	1.2
77.03930	1.5
79.05495	5.6
80.05029	2.2
81.03413	4.5
81.07047	1.8
85.02908	20.7
85.65877	1.2
91.05479	15.4
93.05794	1.5
93.07051	3.1
94.02935	3.9
94.06599	2.1
95.04968	14.3
96.04488	5.5
97.02898	12.6
103.05482	3.6
104.04990	3.3
105.03417	4.0
105.04494	2.0
105.05776	3.7
105.07015	2.6
106.06564	13.0
107.04955	20.9
107.08633	1.4
108.08125	6.0
109.02876	5.3
109.06495	2.7
112.03979	4.0
116.04955	2.4
117.05757	1.8
118.06540	29.9
119.04953	3.6
119.07343	1.3
119.08569	1.7
120.04454	3.1
120.08120	3.9
121.02944	1.4
121.06494	2.0
122.02402	3.1
122.06024	100.0
123.04427	2.2
123.06319	1.2
123.11740	1.4
124.03944	4.0
124.07616	2.7
125.02347	2.3
126.05531	3.7
127.03916	4.4
128.04980	3.7
130.06532	3.5
131.04897	2.3
133.02856	2.3
135.04413	3.0
135.08029	2.3
135.23862	1.2
136.07571	12.9
137.05969	4.8
138.05490	3.7
138.09149	2.6
139.03900	3.3
140.03423	40.0
140.07054	2.3
142.05000	8.1
143.07025	1.4
144.04472	3.1
144.08156	1.3
145.02849	2.4
145.04942	4.6
146.06000	33.0
146.07137	1.8
147.04427	2.6
147.06705	2.5
148.07553	6.4
151.03896	9.4
154.04979	11.7
156.06541	15.0
158.06033	1.5
163.03865	12.8
163.06126	1.6
163.07526	1.4
164.07076	17.3
165.05479	18.9
167.07068	3.6
172.03935	24.4
174.05495	33.6
176.07071	8.2
177.05478	4.9
178.08650	2.2
180.06516	8.1
182.08130	23.2
187.56062	1.4
188.06985	3.3
189.12692	1.9
190.04996	6.0
190.08626	14.5
192.06567	25.0
195.06526	3.8
196.09712	2.3
198.11238	1.7
206.08131	5.8
207.08824	1.6
207.13763	7.0
208.09673	5.6
209.08035	1.9
210.07617	32.3
224.09163	75.6
225.09814	2.9
227.09068	1.7
242.10222	66.5
372.12982	2.4
404.15649	3.8
566.19476	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	566.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25463	0.2
55.05502	0.3
56.05020	0.6
57.03426	0.2
58.06586	1.2
59.07369	1.0
60.07869	0.3
60.08163	6.5
67.05496	0.3
69.07027	0.2
69.66579	0.4
70.06568	0.3
71.07368	2.7
79.05477	0.6
81.03419	0.2
81.07048	0.7
83.04979	0.2
83.08601	0.2
86.09700	30.3
89.03628	0.2
91.05482	0.7
93.07046	0.4
94.07339	0.2
95.04945	0.2
98.23395	0.3
98.98454	2.4
104.10740	3.7
105.07017	0.4
111.04411	0.2
111.87096	0.2
119.08604	0.3
124.99995	20.9
129.05469	0.2
134.10533	0.2
135.04399	0.2
137.05960	0.5
140.45805	0.2
147.11739	0.3
153.01788	0.8
154.02185	0.3
155.02306	0.2
157.10181	0.2
158.10443	0.2
163.03903	1.3
164.04262	0.4
169.56354	0.2
175.11232	0.3
176.11787	0.3
177.12427	0.2
184.07329	100.0
185.07652	0.7
187.03873	0.3
193.12297	0.4
194.12585	0.2
210.08849	0.2
213.05489	0.3
214.05832	0.3
230.38579	0.2
239.09224	0.7
267.71857	0.2
312.12097	0.2
337.14374	0.8
338.14548	2.0
355.15244	0.3
356.15787	0.6
385.12680	0.4
387.13290	0.6
462.22440	0.5
480.23523	0.2
515.85193	0.2
548.29688	0.6
566.30804	7.3
567.31085	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	566.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
55.05508	9.8
57.03437	6.0
57.07077	3.0
58.74781	1.1
59.05005	3.1
61.02896	1.1
65.03934	1.2
67.05497	8.1
67.15839	1.1
69.03428	25.4
69.07067	7.8
71.04988	26.2
71.05352	2.0
73.02914	1.7
73.06550	2.3
73.70688	1.0
79.05490	15.7
79.54436	1.2
81.03397	2.2
81.07054	38.7
83.04976	2.2
83.08591	6.2
85.02905	16.8
85.06577	5.4
87.04461	14.7
91.05470	18.1
93.07044	23.7
95.04958	6.3
95.08600	20.6
97.02887	20.0
97.06523	6.9
97.10162	4.8
98.22720	3.2
99.04449	1.2
99.08096	15.0
103.05427	1.1
103.64294	1.0
105.07024	61.4
106.07321	1.5
107.08588	25.8
109.02885	1.9
109.06522	3.1
109.10150	16.2
111.08090	1.8
115.03934	20.8
116.26115	1.1
117.07017	3.9
118.07813	1.4
119.08574	22.2
120.88667	1.0
121.10153	17.2
123.08094	2.0
123.11672	6.1
125.09630	41.5
126.09991	1.2
127.03983	2.8
127.07560	6.7
127.11167	11.1
129.06970	1.8
129.09142	1.1
131.08566	13.0
133.04962	21.2
133.10121	90.7
134.10451	1.0
135.11667	6.5
137.05981	2.3
137.09639	2.3
139.11211	3.9
143.10667	100.0
145.04994	3.4
145.10110	18.4
147.11682	25.7
148.11911	1.1
149.13260	14.7
151.03871	1.1
151.11208	8.5
155.10666	2.1
157.10190	2.3
159.11685	13.6
161.13223	8.9
167.07101	1.8
167.10709	1.2
167.14305	34.0
169.12256	5.4
171.11794	1.0
173.13252	2.9
177.12819	1.3
177.70079	1.2
184.07401	1.9
185.08081	2.5
191.18011	2.8
201.16354	14.4
219.17429	97.6
221.19183	1.3
223.03728	1.2
237.18466	24.0
259.08014	1.8
261.18570	1.9
295.10217	7.4
304.45255	1.2
315.19531	1.8
351.21472	1.8
381.22690	1.7
386.16037	2.3
404.17044	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	566.317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	7.4
57.03424	9.0
57.07067	2.5
59.05002	3.3
67.05485	7.3
69.03426	30.7
69.07059	8.9
71.04993	33.5
73.06553	3.7
79.05088	1.9
79.05480	13.0
81.03411	2.5
81.07056	36.3
83.08620	4.2
85.02912	18.2
87.04467	12.8
91.05472	11.2
93.07041	22.4
95.04957	3.5
95.08604	37.4
97.02896	22.7
97.06532	3.9
99.08101	8.8
105.07021	39.2
107.08591	31.1
109.10154	18.1
115.03923	28.0
117.07024	2.4
119.08567	11.6
121.10159	15.7
123.11729	6.0
125.09618	32.4
126.07588	2.0
127.03889	5.0
127.07536	3.1
127.11180	9.8
131.08565	7.9
133.04955	30.6
133.10126	73.7
135.11674	3.0
143.10670	76.9
145.04968	4.6
145.10155	12.7
147.11693	20.5
149.13251	32.7
151.11169	4.5
159.11674	9.2
161.13242	7.0
163.05954	1.9
167.14302	100.0
169.12219	6.0
171.24527	1.8
173.13313	1.8
175.94083	1.9
178.34149	1.9
185.07985	2.6
191.18042	2.4
192.46014	1.9
201.16414	13.2
219.17439	84.8
237.18452	24.5
259.08279	3.1
295.10059	4.2
304.43713	2.0
367.99237	1.9
563.38580	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	566.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	0.6
58.06601	0.6
60.07867	0.4
60.08161	5.8
62.72322	0.3
65.87628	0.3
67.05501	0.5
71.07367	2.9
81.07022	0.3
86.09705	29.9
96.55679	0.3
98.98456	3.0
104.10740	5.0
112.98269	0.4
124.99998	20.2
184.07338	100.0
185.07686	0.6
194.94450	0.3
198.08891	0.5
258.10901	0.5
357.41672	0.3
360.57498	0.3
371.94846	0.3
466.25705	0.5
516.30621	0.7
534.31775	1.7
548.33154	1.6
566.35034	2.4
567.25934	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2777
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
52.13457	1.2
69.50897	2.4
69.51288	1.6
99.79564	1.0
102.64267	1.0
108.65123	1.1
142.60095	1.1
184.07346	1.5
203.05295	1.2
331.10077	2.4
405.22211	1.2
455.19611	1.3
469.20508	5.4
549.26624	18.2
567.27637	100.0
568.27856	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	567.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.4
58.80575	0.4
67.05491	0.6
69.79038	1.1
70.57908	0.4
71.07346	0.4
73.86584	0.4
79.05507	0.4
81.03408	0.6
81.07040	0.8
83.08608	0.4
84.01814	0.4
85.02862	0.6
86.09715	3.4
86.10220	0.6
87.10014	0.8
93.07009	0.5
98.98425	0.4
104.10670	0.3
105.06996	0.6
107.08591	0.4
121.10110	0.4
124.99953	1.6
126.23989	0.3
129.36211	0.4
147.11533	0.4
184.07356	10.2
185.07616	1.7
193.12131	0.5
201.03609	0.4
203.05168	1.0
242.31453	0.4
251.12457	0.5
259.07855	1.9
259.99826	0.4
283.15112	3.6
307.14966	0.4
331.09747	1.2
339.17862	1.8
387.16089	0.5
405.22141	1.4
469.20016	0.4
567.27368	100.0
568.27722	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	567.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.0
55.01869	6.8
55.05509	44.5
57.03418	1.6
57.07076	2.3
57.59819	1.7
58.34974	1.5
59.91426	1.4
65.03925	2.8
67.05501	38.7
67.63154	1.5
69.03413	3.8
69.07068	22.5
70.72956	2.0
71.04990	2.7
74.90548	1.6
77.03930	1.8
79.05489	44.0
81.03427	2.7
81.06570	4.0
81.07055	78.9
83.04972	5.2
83.08611	19.5
85.06566	1.7
91.05469	34.7
93.03439	1.5
93.07043	29.8
95.04962	18.0
95.08601	30.0
97.06548	5.6
97.10165	17.8
99.18112	1.4
102.82293	1.9
105.04543	2.7
105.07025	37.0
107.04954	6.1
107.08591	24.5
109.06508	18.2
109.10170	9.4
111.08099	5.0
115.05465	3.2
116.06250	2.0
117.07011	27.2
119.08584	37.3
119.39432	1.6
121.06506	6.1
121.10143	12.2
123.08094	6.0
123.11721	2.6
125.09630	11.6
128.06248	4.8
129.06999	18.3
130.07784	2.2
131.08551	29.2
133.10126	20.3
135.08061	4.3
135.11729	7.5
137.09624	1.8
141.07019	6.7
142.07816	3.7
143.08553	25.6
145.06479	5.4
145.10115	37.5
147.08046	11.6
147.11668	8.8
149.09662	5.8
149.13271	2.2
151.11234	2.2
155.08559	12.9
156.09343	1.9
157.10103	22.7
159.08017	4.2
159.11678	21.0
161.09627	5.6
161.13286	6.9
163.11215	4.6
166.07822	1.6
167.08626	4.4
168.09351	1.9
169.10130	20.8
171.08075	3.9
171.11697	14.6
173.09630	4.4
173.13257	10.2
175.11157	3.2
175.14821	2.4
177.12895	2.2
179.08565	4.9
181.10115	9.7
182.11038	1.9
183.08102	3.2
183.11678	17.6
185.09674	4.5
185.13245	12.7
187.14818	4.4
189.11230	4.8
193.10233	4.2
193.12216	1.9
195.11674	12.4
197.09616	3.2
197.13289	9.8
199.11212	3.5
199.14844	6.1
207.11702	6.0
209.13286	11.2
211.11174	2.8
211.14845	5.6
213.12810	4.4
213.16472	2.8
219.11676	3.4
221.13274	3.0
223.14874	5.2
225.12677	2.8
225.16370	4.4
227.17868	2.6
233.13362	2.3
235.14900	4.4
237.16428	4.6
239.18050	3.4
241.19565	3.4
247.14793	2.5
249.14799	2.4
255.17526	3.8
257.19003	4.4
259.16931	1.8
259.20663	6.8
263.17810	2.0
273.18570	10.5
275.20007	9.1
277.21692	4.6
286.64981	1.7
291.19534	66.4
292.20023	3.2
299.19977	2.5
301.21774	3.6
309.22235	2.6
311.20123	2.4
313.21674	3.7
315.23270	2.4
325.21701	2.1
327.23340	2.3
337.21698	2.8
339.23392	2.6
351.23096	2.4
353.24902	1.8
367.26410	2.0
369.24216	2.6
381.27747	2.9
391.75687	1.7
395.29501	4.3
407.29507	3.6
421.31079	6.6
423.32819	2.4
439.32007	2.5
441.34219	8.7
443.31641	9.9
451.32291	3.1
457.33163	5.1
497.32840	3.7
498.33289	5.7
503.38620	2.5
513.36774	4.3
531.38196	17.4
539.40900	7.1
549.39301	31.9
567.40424	100.0
568.41107	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	568.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.6
55.01863	1.5
59.81847	1.0
61.02934	0.9
61.41051	1.0
69.03432	3.3
69.07073	0.9
69.34181	4.1
69.34560	1.9
69.50562	0.8
69.51495	0.9
74.04131	1.0
79.05503	5.1
81.03417	6.6
81.07081	3.1
85.02910	8.5
91.05476	2.7
93.07056	1.2
94.04179	2.0
94.69539	0.9
95.04970	2.7
97.02901	3.8
99.04448	1.2
100.11253	1.3
103.05456	3.3
105.07031	2.2
107.04945	9.1
109.02876	1.3
109.06491	1.1
115.05447	7.7
117.07006	14.0
122.03658	3.3
123.04440	3.0
124.05222	2.0
125.05970	1.5
126.10506	0.9
127.03915	1.3
128.06265	2.5
129.07024	8.0
131.04959	4.0
131.08588	4.1
133.02859	1.1
133.06470	1.2
135.04485	1.3
137.05972	77.9
141.06985	2.0
143.04906	10.5
144.05740	4.1
145.04895	1.9
145.06470	27.7
147.07983	1.6
151.03938	2.7
151.07558	1.0
153.05493	2.6
155.06029	5.2
155.07124	1.3
156.05661	5.2
157.06458	7.9
158.07397	1.2
159.08072	5.7
160.05180	15.3
160.52269	0.9
161.05963	6.5
163.03918	1.4
163.07582	2.8
167.07040	39.1
168.07422	1.1
172.05127	4.7
173.05981	46.6
174.06665	1.9
175.07538	100.0
176.07962	1.6
177.05531	2.7
180.08627	1.8
181.08806	1.3
183.06512	1.8
187.07532	41.4
189.09085	9.7
190.04546	1.4
190.06252	20.6
190.07880	2.0
191.07014	1.9
193.08650	2.3
195.06476	1.3
201.09088	1.4
202.06195	1.5
203.06927	6.3
203.08713	1.5
205.08591	96.0
206.09047	1.6
215.07047	1.8
217.08591	42.2
218.09099	1.1
219.10231	3.8
221.09546	1.6
222.16632	1.0
223.09630	1.9
226.06036	1.0
233.09627	3.4
234.06813	1.6
235.07599	2.3
235.09644	53.2
239.07281	1.4
241.08539	5.5
242.05542	1.0
246.22684	1.0
247.09576	8.2
249.09064	4.5
252.08011	1.2
258.23343	0.9
261.09149	4.9
263.07047	2.3
265.10715	39.0
269.07993	1.5
271.05994	1.3
273.07449	1.4
277.08624	4.3
278.09250	2.6
279.09955	1.1
281.11734	3.0
285.07584	5.3
289.08450	1.5
291.06662	1.4
293.07919	1.5
293.11761	3.0
300.09927	7.0
301.10715	5.2
307.09476	1.6
309.11273	4.2
313.10657	1.6
321.11194	6.8
323.09042	1.4
326.11340	1.4
341.13843	9.8
353.13831	16.1
371.11426	1.4
371.14914	27.4
567.43317	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82245	0.7
55.01858	1.1
55.05523	0.6
56.23676	0.7
60.04580	0.7
67.05505	1.2
69.03419	1.4
72.39799	0.7
78.04715	2.2
79.05484	3.0
81.03431	1.0
81.07053	2.8
81.23397	0.7
83.04970	1.0
85.02914	6.5
86.77917	0.8
91.03946	0.7
91.05480	6.1
93.07066	1.1
95.04947	1.7
97.02901	2.5
103.05472	2.4
105.07040	4.1
106.04173	1.1
107.04951	5.7
109.02906	1.6
109.06503	1.0
109.10174	0.8
113.26501	0.7
115.05455	1.3
116.01682	2.3
117.07047	1.2
118.04129	0.8
119.04927	2.6
119.08581	1.9
121.06512	1.3
123.04416	3.1
124.05193	1.7
127.03902	1.7
128.06242	1.8
129.06992	4.8
131.04918	2.8
131.08623	1.3
132.05725	1.5
133.06487	4.5
133.10109	1.2
134.03708	0.7
135.04405	1.8
136.05228	1.5
137.05998	3.1
144.01105	1.0
145.04941	1.8
145.06470	2.4
147.04419	0.8
147.08044	2.3
149.05965	1.5
151.03889	3.0
151.07538	4.0
152.04694	1.8
153.05461	1.4
159.08043	3.2
160.05293	1.4
161.05972	7.9
162.02205	1.2
162.54344	0.8
163.03908	1.6
163.07527	1.4
165.05446	1.3
167.07037	100.0
168.07384	1.4
171.08018	0.7
173.06056	1.3
175.07556	17.7
177.05533	4.1
179.07031	11.8
180.08733	1.6
187.07501	10.3
189.09157	1.1
191.07021	8.4
193.08559	3.8
199.07552	2.9
205.06761	1.2
205.08469	5.0
206.04361	0.8
206.07306	1.0
209.08066	2.4
217.08580	2.5
218.07420	1.0
219.06499	2.1
219.08272	1.3
221.09645	1.8
234.06917	1.1
235.07507	1.0
235.09706	0.9
237.09149	0.7
237.18446	1.1
238.18903	1.2
249.09116	2.9
251.06868	1.3
261.09076	2.2
263.06979	1.2
266.09457	0.9
277.08521	1.3
278.09409	0.9
281.11725	3.8
289.08499	0.7
291.06323	1.0
294.08875	0.9
295.09811	1.0
299.10251	0.8
307.09637	1.0
309.11267	5.9
311.09073	0.9
311.12701	0.8
321.11200	3.6
322.11731	1.0
326.11429	1.9
339.12317	0.9
341.13895	15.1
344.12323	1.2
353.13788	5.8
357.09525	2.2
359.14838	8.4
371.10687	1.2
371.14908	10.3
389.16119	1.8
401.19696	0.8
504.22458	0.9
568.23492	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	568.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	3.1
53.03915	3.0
53.73893	2.7
55.01854	4.9
55.05509	4.9
57.03436	5.0
62.06086	8.5
67.05503	4.0
69.03426	8.9
69.07062	5.2
71.04985	3.5
71.86644	2.4
79.05497	9.1
81.03407	7.3
81.07054	9.2
84.08112	3.0
85.02902	22.0
85.06555	6.0
91.05482	7.2
93.07055	6.5
95.04978	9.8
95.08595	5.4
97.02898	7.4
103.05460	15.8
104.05776	4.4
105.07024	11.9
107.04938	7.7
107.08601	5.9
109.02902	3.8
109.10165	6.0
115.03938	4.3
115.05444	5.6
116.01722	4.7
117.07002	12.1
119.04958	3.3
119.08576	5.8
120.08094	5.8
121.10152	5.0
122.03654	4.2
123.04433	5.9
123.08093	2.9
127.03924	5.1
129.06985	10.2
131.04916	26.2
132.05273	7.8
133.06436	5.2
133.10124	5.8
137.05980	100.0
138.06300	5.1
143.04852	4.3
144.05704	4.3
145.04893	3.0
145.06509	21.3
147.04382	5.2
147.08151	3.0
149.06010	5.2
151.03897	4.9
151.07515	4.6
153.05458	4.1
156.05676	3.9
157.06473	7.7
159.08028	8.6
160.05241	13.3
161.05966	12.3
162.02170	4.2
162.06493	3.6
163.03880	11.5
163.07460	13.3
164.08012	3.6
167.07051	49.8
172.05150	5.1
173.05988	35.2
175.07541	82.8
179.07048	3.7
180.08632	7.8
183.06587	3.0
187.07544	38.4
189.09113	5.0
190.06291	15.2
191.07040	4.8
193.08611	5.0
193.15520	2.9
195.07866	3.0
202.06366	2.8
203.07013	6.5
205.08609	82.3
209.08176	4.5
209.15282	4.3
217.08600	35.1
235.09644	36.9
238.18538	2.9
239.16409	3.1
241.08626	5.0
247.09691	6.8
249.09126	3.2
265.10748	30.1
291.06503	4.9
300.09927	8.5
301.10690	5.1
309.11197	4.1
309.77353	2.9
321.11227	4.6
340.12604	4.1
341.13757	10.1
353.13788	11.0
371.14874	21.3
389.13699	7.7
568.23199	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	568.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
60.08166	0.8
61.02924	0.9
67.92050	0.4
69.03429	2.7
69.07033	0.5
69.09914	2.0
81.03414	1.2
81.07054	0.7
85.02411	0.7
85.02905	10.8
86.09706	3.0
91.03952	0.5
91.05466	0.5
91.93632	0.4
97.02900	2.9
99.04368	0.5
105.07008	0.7
107.08599	0.6
109.02869	1.0
112.82182	0.4
115.05418	2.6
117.07049	1.0
120.45663	0.4
121.25926	0.4
124.99982	2.0
127.03922	2.1
127.05379	0.7
128.06262	2.4
129.06996	10.7
131.04955	0.8
131.08545	2.1
133.10086	0.6
143.04916	1.4
143.08545	2.7
144.05717	1.5
145.04988	2.1
145.06480	1.7
146.07237	1.2
149.05905	0.6
150.70329	0.4
151.03867	0.8
155.04907	6.7
155.06084	0.8
157.06479	6.1
158.07288	2.9
159.04382	0.9
159.08063	1.3
160.05165	3.1
161.05992	1.1
161.09636	1.0
163.03882	1.1
172.05193	4.1
172.08951	0.7
173.05974	4.9
174.06764	17.2
175.07544	12.6
177.05507	0.6
180.08568	1.0
183.04349	2.2
184.07332	8.6
187.07530	37.5
188.08304	7.8
189.09100	13.5
189.10808	0.6
200.04680	0.7
201.05476	3.2
203.06952	3.4
203.10631	1.0
205.04968	5.1
205.08508	0.5
215.07001	27.0
219.06342	0.6
229.12126	0.4
233.08073	100.0
234.08463	2.9
244.09711	0.9
247.09642	21.0
248.10107	0.6
265.10706	28.4
568.31805	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
55.05512	0.9
57.03433	0.8
60.08156	1.3
60.14657	0.6
60.27643	0.6
61.02907	1.6
67.05499	0.7
69.03429	3.9
69.07068	1.2
71.04987	1.0
79.13177	0.6
81.03397	1.7
81.07069	3.0
83.08601	0.7
85.02907	12.6
85.06537	0.7
86.09711	5.9
87.04457	0.9
89.03905	0.7
91.03960	0.7
91.05489	1.2
93.07029	1.7
95.04952	1.3
95.08627	1.5
97.02897	3.3
97.06525	0.8
99.04478	0.9
99.08094	0.7
100.11255	1.0
104.10749	4.9
105.07036	1.8
107.04943	0.6
107.08614	1.6
109.02862	1.1
109.10136	1.4
111.04451	0.6
111.55959	0.6
114.89848	0.6
115.03940	0.6
115.05443	1.3
117.07022	1.0
119.08578	0.9
121.06518	0.9
121.10175	1.3
123.11693	0.6
125.00011	2.5
127.03922	1.9
127.11182	1.0
128.06210	2.0
128.07066	0.6
129.07008	10.2
131.04900	1.9
131.08545	2.3
133.03687	0.7
133.10097	1.7
135.04417	0.9
135.11671	1.5
137.05980	1.5
141.07016	0.6
142.12354	0.7
143.04849	0.7
143.08536	1.9
144.05704	1.8
145.02841	0.6
145.04948	2.2
145.06444	3.0
145.10118	0.9
146.07292	1.4
151.03935	1.1
155.04933	5.6
157.06450	4.2
158.07288	2.7
159.04375	0.9
159.08083	1.4
160.05200	3.0
161.05943	1.7
161.09552	1.1
163.03926	1.8
163.11150	0.8
167.07082	0.7
172.05188	4.8
173.05998	4.7
174.06760	18.3
175.07547	14.1
177.09129	0.8
180.08730	1.2
183.04475	1.4
184.07336	10.6
184.13324	1.0
187.07535	38.2
188.08293	6.9
189.09102	16.1
201.05481	1.2
203.06961	4.9
203.17862	0.8
205.04971	5.9
205.08434	0.7
215.07002	27.2
221.19028	1.8
233.08080	100.0
234.08440	1.4
239.20076	1.4
247.09663	20.5
257.21210	1.3
265.10706	20.2
550.31061	1.1
567.38879	0.7
568.23865	1.0
568.32068	1.9
568.44128	1.6
569.26166	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51471	1.1
51.41763	1.3
51.90316	1.3
53.03944	2.8
53.53440	1.1
53.88526	1.3
55.01867	2.4
55.05509	2.0
57.03429	4.9
59.05000	3.6
61.02920	5.1
67.05497	4.5
68.91424	1.2
69.03426	14.5
69.07061	5.0
71.01351	2.1
71.04980	4.1
73.02952	1.5
77.03924	1.6
79.05491	11.1
81.03413	7.1
81.07056	7.7
83.04984	1.9
83.08617	3.1
85.02905	79.6
85.06543	2.7
87.04457	2.9
91.03967	2.5
91.05492	6.8
93.07046	9.1
95.04971	29.4
95.08601	5.3
97.02895	20.1
97.06533	26.6
99.04462	7.4
99.08105	1.6
103.03943	2.1
103.05453	3.1
105.07019	10.1
107.04955	93.5
107.08585	8.9
109.02879	20.1
109.06509	31.4
109.10133	7.2
111.04433	1.5
111.08064	5.6
113.09647	2.9
119.08584	6.5
121.06492	6.2
121.10137	10.9
123.04428	2.8
123.08057	4.3
125.02338	2.7
125.05938	1.9
125.09663	2.8
127.03916	21.2
131.04903	2.2
131.08542	3.3
133.02837	4.3
133.10118	26.0
135.04408	4.1
135.08086	6.0
135.11682	2.0
137.05998	4.4
139.03896	5.5
139.11203	1.5
141.05403	1.6
145.04955	26.0
145.10136	2.2
147.11699	27.4
149.06018	8.6
149.13261	3.9
151.03912	14.4
151.11143	3.3
153.09102	17.6
159.04475	1.9
163.03955	1.6
163.06042	15.9
163.14890	6.4
165.05476	61.8
165.12758	4.8
167.07069	8.2
173.13260	9.3
177.05496	13.0
191.14340	17.6
195.06532	11.0
204.39671	1.3
209.08076	17.2
209.12390	1.7
209.15367	82.1
227.09142	37.3
227.16420	100.0
228.27167	1.3
233.26088	1.5
276.50223	1.4
309.10922	1.3
568.24658	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79845	0.6
55.05511	3.4
57.07068	1.2
63.62051	0.6
67.05491	2.9
69.03066	0.9
69.03426	12.0
69.06712	0.9
69.07068	11.7
69.68777	1.5
69.69162	1.2
71.04980	0.7
79.05489	2.4
79.39089	0.7
81.03410	0.7
81.07060	4.4
83.04979	1.2
83.08602	3.7
85.02896	5.7
85.06539	1.0
91.05476	7.4
93.07042	5.0
95.04987	5.9
95.08608	4.7
97.02887	1.6
97.06528	1.8
99.04437	1.8
103.05450	1.0
105.06345	1.3
105.07029	16.1
107.08582	7.4
109.02881	0.8
109.06533	3.4
109.10161	1.7
111.08044	1.7
115.05447	0.9
115.07575	1.0
117.07015	3.0
119.08582	45.1
121.10162	7.1
123.08058	0.8
123.11676	1.3
125.09630	4.0
126.34179	0.6
127.03917	1.3
129.06978	3.3
130.00662	0.7
130.07747	1.1
131.07645	1.3
131.08563	13.9
133.10129	37.8
135.08089	3.5
135.11662	2.0
137.05949	1.6
143.08536	8.7
144.09334	2.6
145.04897	1.3
145.10121	9.5
147.11674	6.3
149.09633	1.9
149.13243	1.5
151.11153	0.9
153.09100	3.0
156.09352	0.9
158.10930	8.7
160.12459	1.1
163.14790	2.0
173.13268	50.8
174.13628	1.0
175.14821	100.0
176.15138	0.9
191.14311	23.9
209.15367	22.0
227.16388	4.9
263.73837	0.7
346.79187	0.7
353.19775	3.6
371.20526	1.6
380.83652	0.7
569.21069	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.8
57.03431	2.8
59.05001	3.7
59.16653	1.4
60.29995	1.2
61.02921	2.0
61.88967	1.2
63.84549	1.3
66.10767	1.4
67.05505	3.9
69.03437	6.4
69.07069	3.0
71.04996	4.0
77.03915	2.1
79.05484	9.5
81.03419	6.9
81.07062	10.0
83.08631	3.0
85.02905	26.8
85.06557	2.8
91.05492	6.3
93.07037	10.2
95.04967	26.0
95.08611	6.1
97.02891	7.6
97.06528	16.9
98.22694	2.9
99.04449	4.0
99.08065	2.0
103.05459	3.4
105.03394	1.8
105.04500	1.9
105.07019	14.1
106.01325	1.3
107.04954	85.8
107.08596	10.6
108.41615	1.4
109.02884	13.3
109.06519	37.3
109.07188	1.4
109.10145	8.5
111.08083	2.9
113.09613	1.4
115.07574	9.1
116.60577	1.6
119.08577	8.3
121.06496	7.8
121.10146	17.2
123.04430	4.5
123.08060	3.6
123.11699	4.2
125.02351	3.2
125.06042	1.6
125.09626	1.8
127.03924	6.2
127.07550	1.8
131.04915	2.0
131.08572	13.2
133.02869	2.6
133.10126	47.6
135.04453	5.1
135.08063	7.7
135.11668	1.6
137.06000	4.1
137.09622	2.8
139.03922	4.9
139.11183	1.7
143.08586	2.1
143.10707	2.0
145.04996	5.8
145.10139	4.0
147.11679	23.7
147.12732	2.3
149.05977	7.4
149.09602	2.4
149.13261	5.7
151.03909	13.3
151.11229	3.1
153.05548	2.4
153.09100	12.3
158.10887	2.2
163.03871	1.9
163.06001	4.2
163.14864	6.5
165.05470	62.2
165.12827	2.5
167.07002	9.4
173.13264	21.5
175.07582	1.3
175.14841	1.6
177.05464	12.0
191.14299	31.3
192.14792	1.6
195.06535	8.5
209.08051	18.9
209.11943	3.0
209.15361	73.2
227.09140	39.0
227.16405	100.0
287.09695	1.4
339.10712	2.2
371.13333	1.9
389.13916	2.1
503.70486	1.6
568.24689	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44845	0.6
55.05488	0.7
57.03438	0.8
57.07065	0.8
59.43219	0.6
67.05489	1.3
69.03419	2.4
69.07075	3.4
70.78365	1.0
78.66122	0.5
79.05488	2.2
81.03425	1.3
81.07056	10.4
81.67604	0.6
83.04943	0.6
85.02913	5.8
85.06562	0.6
87.04468	7.4
91.05467	2.9
91.75013	0.7
93.07043	9.1
95.04948	1.9
95.08607	2.8
97.02892	1.7
97.06508	0.7
97.48402	0.6
105.05535	0.8
105.07014	3.5
107.04935	1.3
107.08577	2.6
109.02867	1.2
109.06491	1.5
109.10157	0.5
111.11674	1.2
119.08556	1.4
121.10146	24.5
123.04376	0.7
123.08062	2.1
123.11706	46.5
127.03886	1.1
133.07539	0.6
133.10152	1.9
137.09586	0.9
139.11162	1.7
141.95612	0.5
145.04926	1.5
147.11679	6.9
149.06024	0.6
149.08492	1.0
149.09628	15.5
149.10808	1.1
149.13158	0.7
151.03914	0.7
151.11180	22.0
163.03909	2.2
163.05988	0.9
165.12752	5.7
167.10678	54.3
173.13284	1.8
175.14832	0.9
177.05493	1.2
183.13777	1.0
191.14320	2.9
195.06514	0.9
209.07896	1.2
209.15292	5.3
216.07674	0.7
227.16412	100.0
228.16739	1.3
239.12880	0.8
568.20709	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.2
57.03426	4.9
57.07060	4.3
58.17749	2.0
61.02917	2.6
67.05511	10.3
69.03432	10.8
69.07076	5.6
71.05003	6.0
71.10229	2.3
79.05491	7.3
79.24236	2.1
81.07064	17.4
83.04998	17.6
83.08613	6.5
85.02901	20.4
85.06551	4.2
89.03769	1.9
91.05489	8.0
92.13315	1.9
93.07056	13.6
94.87974	2.0
95.04974	34.5
95.08601	10.1
97.02887	6.7
97.06546	13.0
99.04456	9.1
105.07033	22.4
107.08595	28.6
109.02880	2.1
109.06507	31.0
109.10162	25.6
111.08083	2.9
115.07566	7.4
119.08574	14.7
121.10140	19.9
122.77453	2.4
123.08067	4.8
123.11721	10.4
127.03909	8.8
131.08568	16.2
131.75934	2.1
133.10135	58.4
135.08061	6.2
135.11681	15.7
137.09528	2.7
139.11214	4.7
145.04958	7.7
145.10121	7.7
147.11667	20.9
149.09639	3.2
149.13278	17.3
151.11162	10.9
153.09134	15.6
158.10930	5.7
163.03889	3.5
163.11148	2.5
163.14810	6.8
165.12729	4.5
167.10712	5.7
167.14328	7.2
173.13258	56.8
175.14801	19.7
191.12563	2.7
191.14308	59.3
209.15369	100.0
227.16408	58.7
371.57260	2.2
392.49625	2.3
429.37790	2.2
464.05615	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03386	0.2
53.65770	0.2
55.05509	0.2
56.05036	0.4
57.03423	0.2
58.06596	2.3
59.07374	2.0
60.08162	5.9
66.20369	0.2
67.05518	0.4
69.65578	0.2
69.65914	0.7
70.06597	0.3
71.07370	2.9
73.02898	0.2
86.09705	27.4
87.10014	0.2
93.07033	0.2
97.06474	0.2
98.98466	2.7
99.22782	0.2
104.10738	3.6
105.07031	0.2
125.00004	18.2
129.05501	0.3
130.71274	0.2
136.05708	0.2
143.01112	0.3
157.08733	0.2
168.04233	0.3
177.67902	0.2
184.07336	100.0
185.07706	0.9
200.32701	0.2
210.08934	1.0
211.31003	0.2
239.09180	1.2
258.11008	0.4
299.11435	0.3
312.12152	0.3
340.15121	0.2
412.20685	0.4
413.81540	0.2
480.23041	0.3
534.31549	0.4
550.30640	0.4
568.33466	1.3
569.15820	0.3
569.29254	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	568.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35070	0.1
55.01879	0.1
55.05496	0.2
56.05038	0.5
57.03450	0.2
58.06590	2.5
58.06858	0.2
59.07377	2.0
60.08163	5.3
61.57097	0.1
66.93449	0.1
67.05487	0.2
69.34773	0.1
70.06593	0.3
71.07370	2.5
71.30235	0.2
80.41595	0.1
81.52551	0.1
86.09704	26.3
87.10047	0.3
98.98466	2.5
104.10741	3.6
105.24655	0.1
125.00002	18.0
129.05452	0.3
129.98161	0.1
143.01089	0.2
159.62436	0.1
168.04225	0.2
184.07336	100.0
185.07709	0.8
210.08922	0.9
213.11572	0.1
222.08998	0.1
228.10988	0.1
239.09207	1.4
258.11066	0.2
299.11191	0.5
310.90332	0.1
312.11890	0.3
368.18130	0.1
412.20905	0.5
424.99808	0.1
462.22430	0.3
471.16193	0.3
480.23480	0.3
499.15347	0.5
533.30823	0.4
534.31757	0.2
550.31213	0.4
568.33026	1.8
569.19958	4.4
569.28516	0.3
584.18951	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	568.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.05504	2.2
57.03445	1.9
57.07087	0.9
59.05007	1.2
60.08156	5.8
63.31699	0.9
65.03919	0.9
67.05511	2.1
69.03423	5.2
69.07066	2.9
71.04993	4.9
71.07372	2.7
72.45463	0.7
73.02901	1.1
79.05493	5.9
81.03430	1.9
81.07054	20.5
83.04994	1.0
83.08633	1.2
85.02921	5.0
85.06538	0.8
86.09708	30.4
87.04470	3.0
91.05477	4.3
93.07048	7.9
95.04958	3.0
95.08607	7.5
97.02894	4.3
97.06538	1.4
98.98476	3.1
99.08070	1.0
104.10744	4.0
105.07027	9.8
107.04937	2.0
107.08604	14.9
109.06522	1.0
109.10166	7.2
115.03917	6.7
117.07051	1.2
119.08580	11.5
121.06487	2.1
121.10152	3.5
123.11712	5.5
124.99994	20.0
125.09616	1.7
126.40656	0.9
127.03883	1.3
127.11204	6.1
131.08556	7.4
133.04930	4.6
133.10126	9.1
135.04410	3.1
135.11681	19.0
135.12645	1.4
143.10657	11.7
145.02834	2.1
145.06436	1.3
145.10133	2.7
147.11644	5.6
149.09641	3.8
149.13266	2.0
151.03818	0.9
151.07594	1.0
159.11659	1.1
161.13261	4.8
163.03912	17.2
163.14812	1.4
164.04274	6.0
167.07065	2.3
173.09723	1.1
174.06367	0.9
177.16600	0.9
178.08508	1.1
184.07339	100.0
185.07661	0.9
191.10677	3.0
203.17949	15.2
209.11736	10.0
213.07416	1.2
215.89192	1.0
220.17731	1.1
221.15509	1.0
221.18999	21.8
239.20070	3.2
258.11050	1.2
295.10220	1.8
358.11993	0.9
452.23917	2.2
550.31628	1.6
568.12024	1.8
568.20764	26.8
568.32269	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	568.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54938	0.3
55.05498	0.4
57.93719	0.2
58.31758	0.3
61.39039	0.3
67.05497	1.0
68.28055	0.3
69.31168	1.3
79.05469	0.6
81.07044	1.1
91.05490	0.5
93.05772	0.5
93.07031	0.5
95.08585	0.9
98.23396	0.7
98.98451	2.9
106.06519	0.3
107.08627	0.3
108.08114	12.1
109.10129	0.3
119.07323	2.5
124.99992	11.6
134.09642	76.4
135.09959	0.8
152.10683	4.5
232.07312	100.0
233.07672	0.9
518.59955	0.3
550.32770	1.0
568.34052	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	568.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.3
55.05508	12.5
57.07078	6.1
59.05017	2.2
64.61330	2.0
65.03954	2.9
67.05517	19.6
69.03442	2.5
69.07073	11.6
70.73695	2.6
77.03934	2.5
79.05502	24.7
80.06245	3.0
81.07059	32.7
83.04986	3.4
83.08639	4.8
85.06539	3.5
91.05484	55.2
92.06293	2.5
93.07051	60.9
95.04975	44.6
95.08613	18.2
97.06503	3.1
103.05499	2.8
105.04569	3.4
105.07033	95.2
106.07822	5.1
107.08596	43.2
107.09260	3.6
109.06504	5.8
109.10158	13.3
115.05482	7.0
116.06246	3.1
117.07026	32.0
119.08585	100.0
120.09393	4.1
121.06517	3.0
121.10159	24.1
123.08103	12.6
123.11742	2.8
125.09681	2.9
128.06221	16.1
129.06999	20.9
130.07817	12.4
131.08575	49.9
132.09369	9.9
133.10132	48.4
134.10913	3.3
135.08124	4.3
135.11688	13.7
137.09572	3.4
138.10361	4.9
141.06992	8.4
142.07799	21.0
143.08565	48.5
143.09634	4.1
144.09317	11.1
145.10124	78.4
147.11690	19.7
149.09639	2.8
151.11205	4.0
153.07030	5.4
155.08569	20.1
156.09361	20.4
157.10132	45.0
158.10847	10.6
159.08067	2.5
159.11697	32.5
160.12454	3.3
161.09648	3.8
161.13261	5.6
165.07031	5.2
166.07835	2.2
167.08597	11.6
168.09299	5.8
169.10132	27.1
170.10956	8.9
171.11713	28.7
172.12482	5.8
173.13258	21.4
175.14877	13.3
177.12769	6.0
179.08559	12.1
180.09325	5.5
181.10147	16.6
182.10896	13.5
183.11682	27.7
184.12538	6.2
185.13289	18.2
186.13983	3.7
187.14861	11.8
191.14354	6.6
192.09315	3.2
193.10167	6.7
194.10974	9.0
195.11723	14.5
196.12494	7.9
197.13281	21.8
198.13948	5.7
199.14896	9.6
201.16350	4.6
206.10876	4.7
207.11743	9.5
208.12415	6.4
209.13275	23.5
210.14081	2.9
211.14850	12.6
213.16423	2.9
219.11772	2.4
219.17572	2.6
221.13235	6.8
222.14088	3.7
223.14847	8.1
224.15663	2.6
224.33571	2.2
225.16383	4.8
231.11659	2.5
233.13322	4.4
235.10828	2.3
235.14882	7.4
237.16307	4.5
239.18036	4.3
241.19540	3.4
247.14798	3.8
249.16333	4.5
259.20877	2.6
265.19623	3.5
271.29333	2.0
275.17923	4.0
279.21027	2.6
283.20535	2.8
297.22098	3.7
323.23859	5.3
338.26041	34.4
430.32397	9.8
476.36667	17.3
568.42810	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	569.1994
Annotation	Bistratamide B
Peak:m/z	Relative Intensity
54.35550	0.4
60.08167	2.7
67.05515	0.4
70.06601	0.7
71.04955	0.4
71.07365	1.2
71.43359	0.5
81.07047	0.8
86.09706	12.1
87.10038	2.0
91.05478	0.6
95.08606	0.5
98.98485	1.1
104.10788	1.1
115.37187	0.5
125.00002	9.2
125.00832	0.9
126.00330	0.6
153.01892	0.6
163.03775	0.6
167.03235	0.9
170.68199	0.4
171.00583	1.3
181.07849	0.4
184.07339	40.8
185.07703	7.5
221.04233	0.6
337.09109	0.4
457.14835	0.5
471.16272	10.2
472.16956	1.0
479.26288	1.4
499.08499	0.7
499.15723	15.1
500.16266	1.3
537.17529	1.6
569.19934	100.0
570.20178	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	569.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	16.0
57.03436	1.7
57.07065	1.6
59.05002	3.3
61.02922	1.4
67.05500	2.6
69.03427	5.6
69.07066	4.1
71.04996	2.8
79.05499	3.1
81.03412	2.0
81.07054	5.5
83.04984	9.8
83.08624	13.6
85.02897	14.1
85.06528	1.9
91.05488	4.8
91.75517	1.1
93.07052	9.8
95.04965	15.7
95.08598	8.1
97.02901	3.3
97.06528	4.5
97.10184	3.1
99.04462	4.6
103.05521	1.2
105.07017	6.9
107.08586	14.7
109.02894	1.7
109.06506	7.1
109.10149	8.4
111.08096	3.3
119.08578	4.6
121.10127	28.2
122.10503	1.3
123.11694	3.8
124.93860	1.0
125.09630	4.6
127.03919	4.2
130.05020	1.4
131.08586	4.4
133.10126	12.2
135.04366	1.2
135.08084	2.0
135.11740	2.4
137.05969	4.7
139.11169	36.3
145.04961	5.5
145.10075	2.0
147.11674	5.9
149.13254	4.3
151.03836	2.2
151.11166	18.3
153.09119	6.0
158.10814	1.3
163.03918	7.4
163.05986	2.4
163.14833	6.1
167.07106	1.2
167.10632	1.2
167.14328	19.8
173.13237	14.0
174.13600	5.4
175.14813	6.4
176.15172	1.7
181.08559	1.5
183.06590	3.1
190.11371	1.2
191.14304	13.9
192.14662	1.8
209.15358	100.0
210.15762	2.9
227.16438	17.5
228.16750	1.2
229.10713	1.3
258.14474	1.2
258.20578	1.1
353.19336	1.1
407.15088	1.2
569.20569	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	569.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37957	1.6
53.03956	2.1
55.05510	10.6
57.03447	2.3
61.02910	1.9
67.05508	5.3
67.49837	1.3
68.38730	1.4
69.03431	9.5
69.03750	1.8
69.07061	12.4
69.07389	1.5
69.54712	6.7
71.04990	2.6
79.05505	6.9
81.03410	2.5
81.07063	13.0
83.05000	8.0
83.08627	8.1
85.02901	17.6
85.06549	3.2
86.09695	1.7
91.05501	10.2
92.05814	1.9
93.07036	19.8
95.04969	41.7
95.08617	8.6
96.05293	3.9
97.02915	6.8
97.06544	10.8
98.06873	2.0
99.04460	10.8
104.01727	1.7
105.07016	16.0
107.08592	28.0
108.08917	2.9
109.06525	20.4
109.10156	11.5
111.08078	2.4
115.07578	13.7
118.15357	1.7
119.08568	15.5
120.08926	4.0
121.06505	1.9
121.09272	3.5
121.10146	66.0
122.10498	4.5
123.08080	2.2
123.11679	2.6
125.09612	4.4
127.03935	5.0
129.07037	1.8
131.08565	8.4
131.12329	1.4
133.10135	33.3
133.11133	1.6
134.10497	5.9
135.08064	4.5
135.11702	6.7
137.05977	4.0
139.11182	3.7
143.08647	1.6
145.04961	4.8
145.10136	4.5
147.07538	1.9
147.11696	13.9
148.12085	1.6
149.13264	5.8
151.11211	7.8
153.09100	18.5
154.09502	3.2
158.10913	4.0
160.30148	1.5
163.06071	3.8
163.14839	18.1
164.15186	1.9
165.12793	2.3
167.07037	6.3
167.14351	6.7
171.10226	2.0
173.13258	28.7
174.13574	9.0
175.14798	15.8
176.15173	8.6
179.07060	2.0
183.06563	2.1
191.14323	31.6
192.14682	6.1
209.08038	2.1
209.15379	100.0
210.15726	15.4
227.09236	2.1
227.16396	33.9
228.16815	5.5
421.36514	1.9
569.25085	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	569.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	0.3
70.23280	0.4
70.23592	0.4
77.09079	0.3
86.09703	1.0
87.10030	0.3
93.07056	0.3
93.79518	0.3
94.69469	0.3
105.07064	0.3
119.87558	0.3
125.00013	0.6
127.03990	0.4
147.99377	0.3
153.01833	0.7
171.15526	0.3
174.05537	0.3
184.07341	2.6
185.04233	0.8
185.07706	0.7
186.07843	0.7
203.05278	0.9
259.07809	1.4
291.07507	0.3
331.09805	0.5
333.20557	0.5
407.10852	0.4
407.24081	1.3
415.30457	0.8
457.20441	2.8
471.22104	2.2
487.21661	0.8
569.16394	5.7
569.29285	100.0
570.16095	0.4
570.29523	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	569.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.8
55.01875	6.6
55.05511	46.4
57.03439	2.5
59.04996	1.4
65.03928	3.6
67.05504	54.4
67.05869	2.7
69.07068	20.0
70.84914	2.9
71.04985	3.9
77.03920	3.5
79.05491	51.4
81.03418	5.8
81.07053	48.6
83.04993	6.4
83.08118	2.2
83.08617	36.7
85.06550	2.6
91.05479	60.8
93.07039	56.9
95.04970	37.0
95.08599	33.6
97.06528	9.5
97.10154	6.8
103.05471	2.9
105.04523	3.3
105.07027	61.6
107.04945	14.8
107.08588	32.6
109.06504	7.3
109.10157	16.5
111.08111	7.7
115.05489	1.5
117.06284	1.9
117.07028	21.1
119.08581	47.7
120.09272	1.4
121.06556	6.4
121.10147	25.3
123.08069	4.6
123.11687	2.6
125.09645	5.2
128.06210	3.4
129.06992	8.4
130.07785	2.4
131.04897	1.4
131.08556	29.9
133.06467	1.6
133.10120	37.4
135.08044	5.1
135.11690	14.7
137.09616	3.9
139.11218	2.8
141.06969	4.4
142.07773	1.6
143.08514	8.5
145.06468	2.3
145.10117	31.9
147.08022	3.9
147.11685	23.9
149.09608	32.9
149.13249	5.5
151.11201	3.3
155.08528	5.3
157.10144	7.6
159.08067	1.4
159.11679	17.7
161.09605	3.3
161.13232	11.5
163.11171	31.7
163.12424	1.8
165.12779	5.2
166.25723	1.2
167.08528	3.1
169.10153	6.9
171.11650	9.3
173.09625	6.5
173.13217	6.8
175.11162	3.3
175.14848	4.0
177.12738	3.5
179.10690	1.5
181.10112	2.3
183.11736	5.6
185.13309	4.5
187.11169	3.4
187.14799	3.2
189.11296	2.5
189.12738	2.4
191.10635	1.6
197.13261	5.2
199.14803	2.8
201.12781	1.4
209.13388	2.3
211.14854	3.1
213.16400	2.2
215.18054	1.5
223.13255	15.3
229.19482	2.1
233.15469	2.3
239.17921	9.5
241.19513	3.2
246.08331	1.5
247.16841	1.8
247.20695	2.2
257.18945	18.7
259.20416	8.4
275.20056	100.0
276.20831	8.8
277.21613	19.5
293.21054	23.1
301.21628	4.8
402.14487	1.4
423.32343	1.9
441.33643	4.9
443.31619	1.6
457.32422	1.6
533.39752	2.2
551.40887	4.6
569.41956	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	569.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.7
53.03946	7.6
55.01871	5.7
55.05508	38.8
57.03436	5.0
57.07060	5.8
61.71164	2.0
65.03930	5.4
67.05501	74.6
69.07069	24.4
69.10084	12.9
71.04989	5.2
78.93924	1.6
79.05492	68.0
81.03425	4.8
81.07054	98.9
83.04974	7.6
83.08615	24.7
85.06538	4.3
91.05477	98.0
93.07043	71.0
95.04969	25.0
95.08607	46.5
97.06522	7.7
97.10152	4.9
98.22712	4.6
99.08104	2.7
103.05415	2.1
105.04528	2.6
105.07030	100.0
107.04943	13.0
107.08591	40.4
109.06517	14.9
109.10137	20.7
111.08068	6.3
115.05428	3.9
117.07012	31.4
119.08578	87.9
121.06505	5.7
121.10136	32.6
123.08064	5.6
123.11684	10.9
125.09616	5.7
128.06212	5.6
129.07004	18.5
130.07793	2.0
131.08563	40.3
131.09569	2.2
133.06514	1.9
133.10123	72.7
135.08041	5.6
135.11687	21.2
137.09605	6.0
139.11220	2.5
141.06975	3.5
142.07759	2.5
143.08563	15.9
145.10127	40.5
147.08032	3.5
147.11681	67.9
149.09624	21.3
149.13237	11.9
151.11201	5.8
155.08521	5.5
157.10112	14.7
159.11691	29.8
161.09648	3.0
161.13232	34.6
161.14507	2.4
163.11171	21.7
163.14827	3.7
165.12767	8.7
169.10127	6.2
171.11690	15.7
173.13246	15.9
175.11237	3.3
175.14832	16.0
177.12701	3.5
183.11679	5.2
185.13278	13.8
187.14799	3.2
197.13286	3.3
199.14809	6.1
201.16324	2.2
205.12282	2.6
211.14713	3.2
213.16373	4.8
215.18071	2.3
223.13281	4.2
229.19543	4.0
231.21103	7.7
239.15758	1.9
239.17943	7.9
241.19501	25.1
247.20721	3.7
257.18988	12.7
259.20563	94.9
275.17038	3.7
275.20047	75.7
276.20654	5.0
277.21683	12.3
293.21088	21.7
301.21478	2.0
367.26440	1.8
423.32272	2.1
515.38538	2.1
533.39844	5.5
551.41022	11.3
554.80847	1.9
569.41803	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	570.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01871	1.4
55.05506	0.5
57.03441	2.7
59.04976	0.4
60.08165	1.7
61.02924	5.4
62.91473	0.4
65.03946	1.1
67.05502	0.8
69.03426	9.0
69.22816	2.1
71.04987	1.4
71.07375	0.7
73.02913	2.0
77.03920	1.0
79.05495	5.7
81.03413	4.6
81.07058	0.6
85.02904	52.4
86.09703	7.0
87.04466	1.9
91.03960	2.2
91.05479	59.9
92.05846	0.9
95.04963	2.9
97.02264	0.8
97.02892	14.4
97.06502	0.4
98.23444	1.0
98.98471	0.8
99.04458	1.7
101.02345	0.4
104.10691	0.7
105.04501	0.9
107.04953	100.0
108.05305	1.5
109.02863	4.3
115.03876	0.6
117.03439	0.6
125.00005	4.6
127.03915	11.4
127.04871	0.6
135.04474	1.1
135.08081	1.0
145.04955	19.3
161.06017	0.9
163.03929	5.8
163.06012	6.3
164.04251	2.4
173.05977	3.2
184.07338	22.5
187.07602	0.9
197.05948	0.9
199.07477	0.6
201.05504	0.9
211.07471	0.5
213.05502	1.0
213.09178	0.5
215.07068	0.5
217.04930	1.9
225.05447	1.1
226.01848	0.5
227.07011	1.2
229.04971	1.2
229.08528	1.9
236.71521	0.5
309.14777	0.8
311.12659	0.5
313.14532	0.4
317.87100	0.4
329.13708	2.5
337.14355	1.0
355.15363	3.5
373.16721	2.1
409.09088	1.4
442.97687	0.5
570.33826	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.8
53.64460	1.2
55.05514	4.2
57.03435	3.8
61.02919	4.0
67.05507	4.9
69.03432	9.2
69.47013	6.0
71.04987	1.7
71.96194	1.3
73.02924	2.9
77.03938	2.0
79.05482	12.6
81.03403	7.6
81.07056	26.0
83.04955	3.2
83.52878	1.5
85.02904	27.5
91.05474	6.9
93.07064	6.4
95.04955	10.0
95.08597	8.4
97.02885	12.6
103.05482	3.0
105.04545	2.1
105.07036	11.1
107.04967	16.8
107.08628	1.9
108.08150	4.9
109.02895	3.9
109.06519	48.7
111.08103	2.1
115.05425	1.7
116.07005	1.4
119.08596	4.6
121.06534	4.1
123.04459	3.7
123.08066	5.4
127.03910	6.8
131.04933	2.0
132.08090	2.0
133.06494	14.8
133.10094	1.6
134.09642	2.3
135.04422	5.1
135.08076	2.1
136.07593	2.5
136.11237	3.1
137.05968	23.7
137.43320	1.2
139.03909	1.7
141.05489	2.2
145.04956	8.2
147.04457	1.6
147.11743	1.4
149.05986	2.6
151.03888	8.1
151.07545	24.3
153.05495	2.3
153.07831	1.8
161.06017	11.0
162.09180	5.0
163.03955	1.5
163.06036	5.3
163.07524	3.1
164.07056	1.9
164.10670	6.8
165.05475	44.8
166.05760	2.3
166.08670	5.3
167.07056	16.5
168.07358	2.3
168.10236	2.5
177.05420	2.4
178.08609	13.9
179.07028	100.0
180.07518	1.9
180.10178	7.1
182.08173	3.0
187.07555	4.5
188.10727	2.1
189.07742	2.0
193.08653	5.2
193.12268	3.0
193.15930	4.8
197.08101	17.8
208.09671	10.9
209.08095	1.9
210.07654	7.7
210.09433	1.4
211.09657	14.2
216.10179	3.4
224.09222	5.5
226.10732	7.6
227.09209	1.6
229.10709	99.9
230.11284	2.1
234.11217	1.8
244.09796	1.6
260.09271	4.1
262.10730	7.2
288.08722	2.7
306.09787	11.5
306.13089	2.2
321.11505	1.4
330.13422	10.1
332.15002	5.0
338.11929	1.3
341.12448	3.9
344.14740	2.0
348.14474	3.3
358.12848	3.0
359.13232	1.9
362.16016	13.8
376.13895	45.4
376.18588	2.9
390.15509	32.9
391.15668	1.6
408.16434	19.8
408.21249	2.1
570.21185	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	570.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01884	0.5
55.05511	4.7
55.63187	0.5
57.03428	0.9
58.90601	0.6
61.02917	1.0
65.03948	0.7
69.03433	3.6
69.54216	2.1
70.06574	0.6
71.01335	1.5
79.05499	2.9
81.03401	1.3
81.07059	24.6
83.04974	2.6
85.02917	7.5
87.04443	0.7
91.05463	2.0
93.07050	4.1
95.04959	2.8
95.08611	4.6
97.02894	5.1
97.06538	0.9
99.04457	0.8
103.03961	1.4
103.05470	0.9
105.07022	8.0
107.04929	2.6
107.08614	1.1
109.02855	1.9
109.06522	45.3
119.04915	0.6
121.06516	1.2
123.08074	7.6
125.02341	0.7
127.03930	2.0
133.06497	13.8
135.08063	0.9
137.05965	10.1
145.04945	2.3
149.05978	1.1
151.03957	1.4
151.07552	22.2
152.07857	0.6
153.05444	0.7
153.09093	1.0
161.05978	9.2
163.06010	1.6
164.03438	1.0
165.09149	1.8
167.07048	1.0
175.07532	1.2
175.14822	0.8
175.33983	0.7
177.05466	1.0
179.07031	100.0
180.07341	1.8
191.07031	1.6
193.08574	3.8
195.06596	1.0
197.08089	11.0
209.08080	1.4
211.07657	1.1
211.09659	18.9
211.12883	0.7
229.10713	83.7
230.10985	2.0
341.12292	5.8
359.13440	1.3
373.14816	0.9
406.72662	0.7
503.17770	0.7
570.24194	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01353	0.5
52.87500	0.4
53.03937	0.5
53.81566	0.4
55.01865	0.5
55.05503	4.2
56.16929	0.4
57.03426	1.3
59.04990	0.8
61.02911	1.5
67.05486	1.5
69.03442	3.1
69.07073	0.5
71.01336	1.5
73.02901	0.6
74.51000	0.5
79.05484	2.7
81.03408	1.8
81.07056	17.7
83.04974	1.7
85.02402	1.0
85.02901	13.4
87.04453	1.2
91.05486	2.4
93.07043	3.2
94.04144	0.7
95.04955	2.1
95.08598	4.7
97.02889	5.7
98.03252	0.5
99.00806	0.5
99.04454	1.0
103.03928	0.9
105.07018	5.9
107.04946	1.9
107.08580	1.9
109.02857	1.4
109.06516	33.1
109.10159	1.1
111.04387	0.7
115.05434	0.9
115.80605	0.5
119.03394	0.9
119.08557	1.6
121.06464	1.5
123.08056	5.5
125.05943	0.7
127.03928	3.6
129.05476	0.5
133.06485	9.5
133.10117	1.7
135.04355	0.6
135.08034	1.1
135.11700	1.0
137.05977	11.4
145.04944	4.3
147.11685	0.8
149.05937	0.7
151.03917	0.9
151.07542	16.7
151.08748	1.2
153.05469	1.5
160.05171	0.5
161.05977	6.3
163.05988	1.9
164.03476	0.7
165.05406	0.6
165.09106	1.0
167.07019	0.6
175.07533	1.5
175.14830	3.9
177.05482	1.2
179.07024	100.0
180.07315	1.6
187.07564	1.3
193.08606	3.0
193.12279	0.5
193.15874	4.5
197.08081	9.4
203.07039	0.7
205.79932	0.5
209.08151	1.2
209.15332	0.9
210.15706	0.5
211.09651	12.2
211.12988	0.5
211.16849	1.6
221.08078	0.7
229.10707	55.7
229.78955	0.6
230.11043	0.9
231.06503	0.8
249.07295	0.6
322.47186	0.5
341.12326	7.5
355.11816	0.5
357.19391	0.6
359.13440	1.6
373.14929	0.7
379.19391	0.5
570.25708	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.8
53.64460	1.2
55.05514	4.2
57.03435	3.8
61.02919	4.0
67.05507	4.9
69.03432	9.2
69.47013	6.0
71.04987	1.7
71.96194	1.3
73.02924	2.9
77.03938	2.0
79.05482	12.6
81.03403	7.6
81.07056	26.0
83.04955	3.2
83.52878	1.5
85.02904	27.5
91.05474	6.9
93.07064	6.4
95.04955	10.0
95.08597	8.4
97.02885	12.6
103.05482	3.0
105.04545	2.1
105.07036	11.1
107.04967	16.8
107.08628	1.9
108.08150	4.9
109.02895	3.9
109.06519	48.7
111.08103	2.1
115.05425	1.7
116.07005	1.4
119.08596	4.6
121.06534	4.1
123.04459	3.7
123.08066	5.4
127.03910	6.8
131.04933	2.0
132.08090	2.0
133.06494	14.8
133.10094	1.6
134.09642	2.3
135.04422	5.1
135.08076	2.1
136.07593	2.5
136.11237	3.1
137.05968	23.7
137.43320	1.2
139.03909	1.7
141.05489	2.2
145.04956	8.2
147.04457	1.6
147.11743	1.4
149.05986	2.6
151.03888	8.1
151.07545	24.3
153.05495	2.3
153.07831	1.8
161.06017	11.0
162.09180	5.0
163.03955	1.5
163.06036	5.3
163.07524	3.1
164.07056	1.9
164.10670	6.8
165.05475	44.8
166.05760	2.3
166.08670	5.3
167.07056	16.5
168.07358	2.3
168.10236	2.5
177.05420	2.4
178.08609	13.9
179.07028	100.0
180.07518	1.9
180.10178	7.1
182.08173	3.0
187.07555	4.5
188.10727	2.1
189.07742	2.0
193.08653	5.2
193.12268	3.0
193.15930	4.8
197.08101	17.8
208.09671	10.9
209.08095	1.9
210.07654	7.7
210.09433	1.4
211.09657	14.2
216.10179	3.4
224.09222	5.5
226.10732	7.6
227.09209	1.6
229.10709	99.9
230.11284	2.1
234.11217	1.8
244.09796	1.6
260.09271	4.1
262.10730	7.2
288.08722	2.7
306.09787	11.5
306.13089	2.2
321.11505	1.4
330.13422	10.1
332.15002	5.0
338.11929	1.3
341.12448	3.9
344.14740	2.0
348.14474	3.3
358.12848	3.0
359.13232	1.9
362.16016	13.8
376.13895	45.4
376.18588	2.9
390.15509	32.9
391.15668	1.6
408.16434	19.8
408.21249	2.1
570.21185	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	570.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.8
57.39113	0.6
61.02918	0.8
65.03947	0.7
67.48581	0.5
69.03423	1.8
69.28024	2.1
69.28437	0.8
79.05484	1.9
81.03424	1.2
85.02907	6.4
85.90830	0.6
90.85824	0.6
91.05463	4.3
91.74908	0.6
93.07025	2.6
95.04958	1.7
95.08591	0.7
97.02909	3.0
99.04441	0.8
103.05459	2.5
105.04504	0.7
105.07005	3.1
107.04957	5.6
109.02895	1.5
109.06447	0.9
110.82687	0.6
111.04454	0.7
112.96633	0.5
115.05443	1.6
116.06165	0.6
117.07021	1.4
119.04929	0.8
119.08549	1.5
121.06529	3.3
123.04431	1.9
124.05183	0.9
125.05991	0.9
127.03911	1.5
128.06212	1.6
129.07004	10.7
131.04916	1.9
131.08565	8.8
133.06474	1.2
133.10051	0.8
135.04367	0.6
135.08032	1.9
137.05959	6.0
141.06978	5.3
143.04903	1.4
144.05655	0.8
145.04965	1.6
145.06497	2.7
147.04358	1.2
147.08043	1.0
149.05974	2.6
151.03876	0.9
151.07556	4.4
152.04700	1.1
153.05432	2.4
155.05927	1.0
157.06485	9.2
158.07259	2.6
159.08061	7.2
160.05208	0.8
161.05981	8.2
161.09604	2.8
162.07718	0.9
163.03867	1.1
163.06276	0.8
163.07558	5.1
165.09152	1.8
165.92223	0.5
166.06261	1.5
167.07047	20.4
167.08464	1.2
168.07205	0.9
169.06441	2.9
170.07161	0.9
173.06015	0.7
174.06770	13.3
175.07573	5.4
175.14764	0.7
177.05496	1.4
177.09088	2.3
179.07089	1.0
179.08559	0.9
180.08681	2.2
181.05035	5.1
181.08592	20.5
186.06726	2.7
187.07544	1.7
188.08246	0.6
189.09097	40.2
190.09483	0.7
191.07030	1.1
191.10725	2.9
193.06538	0.8
193.08582	1.8
195.08086	1.3
197.09654	2.1
201.09088	9.2
203.10701	0.7
205.06575	0.6
207.10121	4.1
209.06030	0.7
209.08099	0.7
211.17029	1.0
219.10153	100.0
220.10544	2.2
221.06079	0.9
223.07674	1.2
225.09082	3.7
229.12137	0.8
237.11250	1.5
239.07014	0.6
249.11238	1.2
251.10634	1.3
253.08516	3.1
255.10139	1.0
257.11783	2.9
265.08569	0.7
267.10034	0.8
270.08740	0.8
274.64661	0.6
279.10059	1.4
283.09634	2.3
283.13226	2.1
285.11163	6.3
297.11249	0.7
299.09198	0.9
299.12668	0.8
302.11603	1.0
311.12854	1.6
315.12155	3.8
317.13818	7.4
329.13760	1.3
331.15482	1.8
343.15375	11.2
361.16443	69.3
362.16675	2.3
385.88333	0.6
570.20392	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01871	2.7
57.03447	2.1
59.44392	0.8
63.59991	0.7
65.03927	0.8
67.05502	2.8
69.03425	8.9
69.06636	0.7
70.49321	1.5
70.49672	0.9
71.04993	12.7
72.47343	0.8
73.02915	2.4
75.04482	1.0
79.05489	20.4
79.05945	1.0
81.03410	6.7
81.07055	3.0
83.01356	1.4
83.04977	3.5
85.02906	11.6
91.05479	21.9
93.07045	19.6
95.04971	4.5
95.07982	0.9
95.08620	2.5
97.02890	17.1
99.04465	2.5
103.05457	4.6
104.07189	1.3
105.07029	49.2
107.04974	3.6
107.08591	23.5
108.04496	1.8
109.02881	16.3
109.06540	2.3
109.10160	3.1
111.08100	3.3
115.03936	0.7
115.05457	9.4
117.07028	1.4
118.04179	3.2
121.06509	5.1
121.75732	0.8
123.04520	0.7
123.08124	1.1
125.06038	1.0
125.09666	1.3
125.33394	0.7
127.03915	13.8
129.05482	3.3
131.04962	1.9
133.06488	55.2
135.08054	37.8
137.06018	3.4
143.05031	1.3
143.06009	5.5
145.04962	16.6
147.06551	2.9
149.05971	1.0
151.61330	0.9
152.94662	0.8
153.09128	5.2
154.38423	0.8
161.05974	97.8
162.06407	1.2
163.03922	3.0
163.07506	7.3
167.07080	2.1
174.40611	0.8
177.09160	0.9
181.08585	21.9
193.08598	100.0
194.08911	1.4
199.09657	9.0
269.08014	1.1
271.11734	2.3
307.11728	7.8
325.12827	9.9
334.23666	0.9
352.68237	0.8
354.26553	1.0
367.92178	0.9
372.27441	1.3
570.25732	3.4
570.33588	1.7
571.18213	1.5
571.27228	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	570.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.3
56.05034	0.6
57.03450	0.2
58.06351	0.2
58.06626	0.4
60.08161	6.0
67.05518	0.3
69.03442	0.2
69.07051	0.2
69.22916	0.7
70.06634	0.1
71.07368	2.9
79.05484	0.4
81.07040	0.4
83.08640	0.2
85.02901	0.4
86.09702	28.3
87.10003	0.2
91.05481	0.9
92.16988	0.1
93.07021	0.2
95.04951	0.2
95.08599	0.3
97.02869	0.2
98.98461	2.9
104.10741	3.7
107.04954	1.4
107.08628	0.1
109.10136	0.1
119.54573	0.1
121.02838	0.2
123.04411	0.2
124.07594	0.2
124.99998	19.5
126.00293	0.2
133.09991	0.1
135.04372	0.1
137.05986	0.4
143.01091	0.2
145.04996	0.2
163.03914	0.3
166.08633	0.2
167.07104	0.3
172.03941	0.5
184.07332	100.0
185.07686	0.9
190.04958	0.3
198.83029	0.1
204.06586	0.8
258.10999	0.3
259.09540	0.1
271.05533	0.1
279.07672	0.1
325.11716	0.4
329.13657	0.1
337.54312	0.1
353.11209	0.3
355.15512	0.2
412.20859	1.4
452.24063	1.5
506.19263	0.3
516.30743	0.3
534.31952	1.2
538.21918	0.8
552.32928	2.3
570.16321	0.6
570.26025	0.2
570.33893	3.3
571.28052	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29575	0.4
53.03948	0.5
55.05510	1.9
57.03438	0.6
57.07063	1.0
67.05502	1.7
69.03418	1.1
69.07063	1.9
70.61399	0.6
70.61725	0.6
71.04987	1.3
73.02909	0.8
75.05247	0.4
79.05487	1.7
81.03398	1.0
81.07050	4.2
83.04966	1.0
83.08616	1.0
85.02910	3.0
85.06535	1.0
86.09697	2.8
91.05472	5.9
93.07023	3.5
95.04955	1.6
95.08617	4.4
97.02892	1.8
97.06499	0.8
98.98495	0.6
103.05499	0.6
104.10760	1.0
105.07008	4.4
107.04962	2.2
107.08582	8.1
108.91270	0.5
109.02901	0.8
109.06505	1.8
109.10159	4.7
117.07020	1.2
119.08574	7.5
120.08105	1.4
121.02875	0.8
121.06480	3.0
121.10133	4.8
121.48749	0.5
123.08067	4.2
123.11732	1.4
125.00016	1.4
125.09629	0.9
127.03896	1.0
131.04906	1.2
131.08540	2.7
133.06480	1.6
133.10115	10.3
133.11024	0.9
135.08047	2.1
135.11693	1.4
137.05983	2.2
137.09596	3.8
138.09189	0.5
139.03883	0.5
143.08598	1.1
145.04945	0.7
145.06502	0.9
145.10117	9.0
147.08049	3.5
147.11658	2.5
149.09616	2.4
149.13268	0.8
151.11111	0.6
155.08488	0.7
157.10114	2.0
158.10924	0.6
159.08070	2.2
159.11687	4.5
161.09586	2.2
161.13257	1.4
163.03918	1.3
163.07472	1.2
163.11156	0.9
163.14772	0.6
163.72186	0.6
165.05493	1.1
165.09148	1.5
167.07025	1.4
170.10889	1.1
171.11754	1.5
172.12468	1.8
173.09624	1.9
173.13222	3.1
175.11194	1.5
175.14857	1.6
177.16394	0.9
182.10892	0.7
183.11710	0.8
184.07314	6.8
185.13268	1.5
187.14806	14.6
189.12782	1.1
189.16374	1.6
191.06966	0.7
191.14278	0.8
193.08609	0.7
197.13290	1.9
199.14864	1.7
201.12776	0.6
201.16370	0.8
203.14310	2.9
205.15913	1.7
211.20444	0.7
213.12773	1.1
213.16356	0.9
215.14294	27.3
216.14938	0.6
217.15871	6.9
229.15906	1.5
233.15352	33.0
234.15652	1.0
235.16931	1.3
240.57054	0.5
243.17560	1.0
249.11177	1.2
250.11522	1.4
251.16389	5.5
259.09479	0.7
261.18430	0.9
306.26355	0.5
311.23557	0.8
319.24023	0.9
325.24988	0.6
337.25229	2.8
343.26154	0.7
355.15250	1.4
355.26297	6.5
359.10413	0.7
373.27353	40.7
374.27838	1.5
376.12656	0.7
391.28394	100.0
392.28818	3.5
408.15646	1.4
570.25793	2.1
570.33429	1.7
571.28186	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.3
55.05518	16.2
57.03432	2.6
57.07055	4.0
60.65813	2.3
66.92200	2.3
67.05504	27.2
69.07070	10.4
70.06580	8.6
70.63181	5.2
79.05502	20.6
80.35382	2.4
81.03397	6.9
81.07057	21.1
83.04984	6.8
83.08621	20.0
88.07639	11.9
91.05476	22.3
93.07040	20.5
95.04970	21.6
95.08601	17.7
97.06524	4.3
97.10155	4.9
102.09167	8.6
105.03396	5.2
105.07029	22.8
107.04936	7.3
107.08604	17.2
109.06490	4.5
109.10149	7.6
111.08056	4.1
117.07015	5.3
119.08571	20.7
120.96644	8.3
121.06477	3.4
121.10150	12.1
123.08067	4.0
125.09554	4.6
129.06967	3.8
131.08568	13.3
133.10132	18.9
135.08078	3.2
135.11681	6.2
137.09631	4.2
141.07040	2.8
143.08522	3.5
145.10103	14.5
147.08098	3.0
147.11659	7.2
149.02313	5.9
149.05963	26.3
149.09581	20.5
151.11214	4.0
157.10069	3.5
159.11732	9.2
163.11169	18.3
164.00797	5.5
169.08624	3.2
169.10063	5.6
171.11575	4.4
173.09636	3.0
189.11201	4.0
193.04967	4.5
193.12277	4.5
197.13152	4.0
211.13235	5.8
223.13293	13.5
239.17978	7.6
247.13110	2.7
256.26425	21.2
257.19025	11.3
259.37863	2.6
275.20050	100.0
285.04099	2.4
291.19550	5.2
293.21054	33.4
297.07587	8.2
300.28891	5.5
341.10141	21.9
411.21396	10.7
438.51468	2.5
467.31601	5.4
485.32495	8.9
527.27380	6.8
565.91357	3.8
570.33795	43.5
570.43469	11.4
571.32544	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	571.2726
Annotation	Phe Tyr Leu Glu
Peak:m/z	Relative Intensity
69.38552	1.0
71.05029	0.2
93.07076	0.2
98.22713	0.4
101.53407	0.2
107.04945	1.0
127.03660	2.6
137.05930	0.6
141.05235	0.6
154.02341	0.2
155.03087	0.2
159.06345	0.2
161.06030	0.2
163.03903	1.0
164.04218	0.4
167.07051	0.2
169.03374	0.3
169.04718	2.0
171.02663	0.7
171.23975	0.2
172.03514	0.3
173.04218	0.5
185.04253	0.4
187.05833	0.3
193.08691	0.3
229.06828	0.5
257.06320	0.3
259.16635	1.3
275.07397	0.6
277.17740	1.2
289.08829	0.4
301.08994	0.9
317.08447	0.4
333.07907	0.6
335.09464	9.8
344.76614	0.2
369.18744	0.5
377.86615	0.2
405.13513	0.5
411.20035	0.3
424.07736	0.2
439.23001	1.2
501.23026	6.9
571.27203	100.0
572.27637	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	571.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	0.5
70.06605	0.3
79.05447	0.4
79.38058	0.2
81.91585	0.2
85.02873	0.4
87.04444	0.2
91.05508	0.3
97.02900	0.6
98.97604	0.5
105.07029	0.6
107.04946	2.7
109.02888	0.3
109.06505	0.2
110.97598	0.2
115.03899	0.3
128.98659	0.3
131.04985	0.3
133.04929	0.3
133.06541	0.4
134.06850	0.3
135.04514	0.2
135.08080	0.4
137.05945	1.0
145.04996	0.2
155.91112	0.2
161.05954	1.0
162.06355	0.5
162.96237	0.2
163.03899	1.0
163.07501	0.2
167.07028	0.4
178.48169	0.2
193.08624	1.2
194.09003	0.6
219.01788	0.5
222.95432	0.2
237.02895	0.7
259.16809	1.0
261.07706	0.3
261.18259	6.6
275.07477	0.4
277.17859	0.3
330.89816	0.3
333.07913	13.4
334.08466	0.2
335.09476	8.5
383.10092	0.4
439.23340	0.4
513.31482	0.2
571.27228	100.0
572.27625	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	571.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
53.82350	1.2
55.01863	3.9
55.05509	26.9
57.03431	1.8
57.07073	12.2
65.03935	1.7
67.05505	39.1
69.03429	1.4
69.07061	15.8
70.73638	2.8
71.04982	2.6
77.03940	1.3
79.05489	34.3
81.03410	8.2
81.07056	44.2
83.04977	7.4
83.08620	13.1
85.06531	1.8
85.10178	24.8
91.05476	40.1
93.07042	34.0
95.04961	20.1
95.08603	31.4
97.06535	6.3
97.10173	6.7
103.05507	1.7
105.07024	36.3
107.04960	9.9
107.08585	23.2
109.06525	4.0
109.10163	11.7
111.08095	2.9
113.09645	38.0
115.05442	1.4
115.30518	1.3
117.07021	13.7
119.08570	32.5
120.09300	1.2
121.06474	3.3
121.10152	17.7
123.08040	6.9
123.11707	4.3
125.09624	3.8
128.23312	1.3
129.06992	8.3
131.08563	18.9
133.10141	24.5
135.08046	3.4
135.11670	12.8
137.09586	3.7
139.11168	2.0
143.08571	6.5
145.10120	18.1
147.08115	3.1
147.11671	26.5
149.09615	13.8
149.13264	6.0
151.11192	4.0
155.08603	3.4
157.10159	8.9
159.11711	9.7
160.79475	1.3
161.09648	2.6
161.13260	13.7
163.11182	14.4
163.14850	3.5
165.12741	41.4
166.13165	1.6
169.10178	3.9
171.11740	7.9
173.09668	2.0
173.13312	7.7
175.11198	7.1
175.14832	4.8
177.16385	1.3
179.14310	3.3
181.12300	1.6
183.11681	2.9
185.13263	5.6
187.14769	3.5
189.11156	3.0
193.12198	1.4
193.15903	1.7
197.13342	2.1
201.12737	2.2
207.13795	2.4
213.16405	2.1
214.27477	1.6
215.14310	1.7
221.15309	1.9
223.13297	8.7
229.19537	2.9
231.21107	1.3
235.82916	1.4
239.17967	5.6
241.19507	6.9
243.20996	2.4
247.20563	1.8
257.18994	9.1
259.20593	12.5
261.22110	2.3
275.20059	100.0
276.20654	13.5
277.21616	73.3
278.21884	2.1
279.23022	6.8
293.21063	13.1
295.22690	62.9
296.22986	2.8
301.21613	4.6
303.23251	3.0
327.27075	1.9
345.27921	4.7
347.29144	2.1
423.32532	5.2
425.34222	3.5
441.33557	9.5
443.35019	5.3
445.33066	4.0
459.34818	2.1
517.40594	3.7
535.41296	6.9
553.42358	19.9
571.43463	21.3
572.44202	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
55.01870	7.9
55.05508	36.5
55.89441	2.5
57.03429	3.6
57.07067	12.3
61.61132	2.5
62.00075	2.7
65.03950	3.2
67.05499	80.5
69.07062	33.7
69.44390	8.9
69.44805	5.7
71.04987	5.7
71.08621	5.5
73.06963	3.0
76.64865	2.8
79.05489	77.9
81.03430	6.5
81.07053	100.0
83.04985	10.6
83.08623	23.2
85.06565	5.2
85.10159	13.5
89.06010	3.2
91.05478	66.6
93.07040	81.0
95.04965	17.9
95.08606	61.1
97.06519	6.7
97.10161	9.8
99.08076	9.6
105.04554	4.2
105.07029	79.2
107.04961	9.0
107.08591	49.4
109.06527	15.0
109.10143	24.8
111.08049	18.2
113.05956	3.1
113.09656	18.4
117.07009	19.7
119.08573	71.7
121.06517	5.3
121.10139	46.5
121.57953	2.9
123.08064	8.3
123.11686	11.5
125.09628	4.4
129.06985	19.6
131.08569	34.2
133.10112	64.0
135.08081	3.8
135.11688	31.0
137.09596	5.9
137.13266	2.8
143.08569	11.5
145.10117	31.2
147.08031	3.1
147.11682	65.6
149.09584	15.1
149.13290	23.1
151.11160	4.8
155.08582	5.1
157.10139	12.4
159.11690	24.4
161.13239	33.7
163.11200	11.0
163.14813	11.7
165.12744	25.6
169.10188	5.2
171.11703	15.8
173.13235	20.0
175.11156	6.9
175.14772	16.2
177.12868	3.1
179.14339	3.9
183.11649	6.5
185.13280	11.9
187.11198	3.2
187.14821	8.1
189.12764	3.7
193.12242	2.9
199.14810	6.1
209.13292	3.6
213.16325	4.0
215.17865	3.4
231.21098	10.7
233.22581	4.3
241.19492	33.6
243.18968	3.4
243.21013	14.6
257.19028	8.0
259.20569	82.2
261.22144	34.5
275.20032	62.3
276.20575	5.5
276.91135	4.7
277.21622	56.1
279.23291	4.5
293.21136	13.1
295.22659	27.5
314.53888	3.2
423.32718	3.4
437.34039	3.6
535.41205	15.2
553.42670	28.5
565.91205	3.9
571.43555	14.8
580.21460	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	572.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
55.05511	2.5
57.33976	1.7
67.05503	4.7
68.98714	1.4
69.03438	1.7
69.07075	2.6
70.06602	2.9
71.04993	2.5
79.05486	5.2
80.47145	1.4
81.03403	3.5
81.07047	10.6
85.02916	4.0
85.06540	2.9
86.09718	2.2
90.05643	1.5
91.05492	5.5
93.07046	2.0
95.04976	14.6
95.08602	4.3
97.02913	3.7
97.06525	1.7
99.08095	1.5
103.05476	1.9
105.07026	3.3
107.04964	6.1
107.08613	2.8
109.02905	3.4
109.06507	2.6
111.08048	2.7
115.05400	2.3
117.03414	1.9
119.04933	4.8
120.08119	4.9
121.10114	2.3
123.04395	2.5
123.11702	7.3
127.03909	2.3
128.71509	1.4
130.38445	1.5
131.04936	3.4
135.04446	6.1
135.08064	2.1
137.05992	8.5
145.02829	3.1
145.04961	2.0
145.06514	4.2
147.04443	8.8
147.05449	1.8
151.03909	19.2
151.07448	1.8
155.08473	2.1
161.05994	5.9
163.03903	41.1
165.05492	19.9
166.08755	2.0
167.07097	3.9
167.08525	3.9
169.12262	4.5
171.04501	2.8
173.05952	3.9
174.06750	1.9
175.03940	7.1
177.16406	2.2
181.05013	11.8
187.13406	3.4
189.05487	5.0
189.09215	1.8
191.03329	2.9
193.05000	9.4
195.06485	2.4
195.08061	3.8
195.17300	1.8
198.06819	1.6
199.03981	5.6
199.07521	4.7
201.05466	11.0
209.04567	2.3
213.09203	2.0
213.18501	6.6
217.04955	14.0
219.10194	4.4
223.07568	4.2
227.07080	14.9
229.05032	3.8
229.08630	7.5
241.08606	4.0
245.04449	15.4
247.06047	2.9
251.06998	4.0
255.06627	4.5
257.08127	2.6
259.09662	4.2
263.05530	14.2
269.08081	10.3
273.03955	4.7
273.07587	13.8
275.09186	4.2
279.06476	1.9
287.09143	2.6
291.04996	23.4
297.07602	19.0
315.08600	14.8
325.06992	3.1
333.09714	5.6
343.08093	35.9
357.09576	1.9
357.15552	4.5
361.09186	100.0
362.09427	1.8
375.10614	2.0
375.16617	4.6
393.11603	3.4
448.84763	1.7
517.32782	1.7
572.25916	6.5
573.20636	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	573.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01881	0.6
57.03438	1.4
57.20686	0.4
59.04999	0.6
61.02929	2.2
67.05518	2.1
67.05809	0.3
69.03426	8.2
69.17904	1.7
71.05003	0.6
73.02917	1.4
77.03943	0.8
79.05500	0.9
81.03415	5.0
81.07035	0.4
83.01321	0.4
85.02901	11.3
87.04469	1.3
91.03963	0.5
91.05471	1.0
95.04958	8.1
95.05529	0.6
97.02891	6.1
99.04463	0.9
105.03408	0.9
105.04514	0.6
107.04936	0.5
109.02854	1.8
109.06532	0.8
115.03946	0.4
115.05470	0.4
118.06557	1.0
123.04422	3.5
127.03905	1.5
130.06609	0.4
133.02870	0.8
135.04440	0.4
137.05975	1.5
141.05524	0.4
142.06558	1.1
144.08109	1.3
145.05025	0.5
146.06012	4.1
151.03886	3.3
155.07228	0.3
159.09129	0.4
165.05466	26.7
167.07176	0.8
169.07642	0.6
170.06049	0.8
181.07622	0.6
182.08401	2.9
183.06586	1.0
183.09164	33.6
184.09583	0.8
187.99202	0.3
188.07072	4.2
195.09203	1.5
203.57889	0.3
205.07608	1.0
206.08353	4.2
207.09161	6.9
209.10768	1.3
210.07932	0.7
211.08705	1.3
217.07619	0.5
219.09140	1.3
220.09868	1.0
221.07101	1.1
221.10817	0.6
221.69690	0.4
223.08713	0.6
228.08922	5.5
229.09705	14.5
230.09937	0.6
234.07948	1.4
234.11574	0.4
235.08652	21.9
235.12122	2.3
237.10254	1.5
238.07370	1.5
245.10756	3.3
246.11452	0.5
247.08647	4.0
247.12279	3.3
249.06593	2.7
249.10255	0.5
250.07143	0.4
251.08241	0.6
254.10645	0.5
257.09036	0.8
259.09802	0.7
259.12341	0.8
261.06570	14.6
261.09958	0.7
263.08136	40.2
263.11578	1.3
264.08661	1.5
265.09717	5.2
266.10312	0.3
273.10254	1.1
275.08200	0.9
277.09720	1.7
277.13434	0.4
279.11353	1.6
281.09421	0.9
281.12903	2.6
287.11670	2.1
291.07736	4.8
291.11182	23.7
292.11713	1.2
293.09204	2.1
293.12344	0.5
297.10120	0.4
305.12793	0.9
307.06964	0.5
309.08725	29.1
309.12286	4.0
310.09229	1.0
313.11853	2.0
315.11246	1.2
317.12933	0.5
323.10239	4.2
323.13687	0.6
325.11826	4.0
328.09723	0.3
333.12305	2.2
341.11282	8.6
341.15216	0.6
342.11798	0.4
343.10672	0.6
347.14011	0.5
351.13861	0.4
361.11740	3.7
365.14969	1.0
379.12833	4.6
383.15897	0.8
391.14893	2.9
393.14395	10.5
411.15469	42.0
412.15872	1.3
443.67654	0.4
541.18073	0.8
573.20721	100.0
574.20880	3.9
578.72150	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
56.07627	0.4
61.11140	0.5
62.45647	0.4
65.03930	2.2
65.56732	0.4
67.05486	0.6
67.46032	0.5
69.03442	1.1
69.62476	1.1
69.66674	0.4
75.70229	0.4
75.92140	0.4
81.03421	3.7
82.04169	1.2
85.02908	3.1
91.05473	1.1
93.03407	0.7
95.05003	1.0
97.02883	1.3
97.06506	0.8
108.02090	0.8
109.02879	1.4
110.03637	1.3
119.04944	4.3
122.03730	0.6
123.04427	1.3
125.06005	1.0
133.06459	0.6
137.05980	12.3
138.03094	0.6
140.04674	5.3
142.02620	0.7
147.04417	9.0
153.05496	3.0
155.06982	2.8
155.74359	0.5
161.05940	0.7
163.03862	0.8
171.06514	2.8
179.07018	4.6
181.04955	100.0
182.05313	1.7
193.08653	1.5
197.08099	1.1
199.06004	8.2
226.93008	0.5
258.12491	0.5
325.09189	6.8
343.10272	8.4
403.56168	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01861	0.7
55.05507	1.0
56.29816	0.6
64.20109	0.6
65.03934	1.9
67.05500	1.8
69.03427	1.9
71.04999	2.9
72.80528	0.6
79.05485	2.5
81.03403	0.8
81.07050	1.8
82.04179	0.9
83.04948	0.7
84.96112	0.7
85.02899	3.2
91.05493	1.3
93.03412	1.0
93.07044	1.5
94.76115	0.6
95.04963	5.5
95.08601	2.9
95.09155	0.7
97.02872	4.0
97.06464	0.7
98.23505	1.3
99.04462	2.2
105.07010	3.5
107.04939	1.3
107.08571	0.9
109.02886	1.0
109.06514	2.7
109.10164	0.9
110.03676	1.0
111.04430	1.6
111.08076	11.6
121.06517	0.8
123.04414	1.8
123.08051	1.9
125.06008	1.4
127.03912	62.4
133.06479	3.1
137.05948	1.2
137.09583	1.0
151.03888	2.5
151.07550	4.7
153.05479	4.8
155.06995	0.8
161.05916	0.8
165.09094	1.5
169.04941	1.0
169.08563	0.6
171.06509	1.4
179.07028	13.4
181.04953	46.6
182.05183	0.7
188.06987	0.6
197.08084	100.0
198.08420	2.0
221.04645	0.6
223.93347	0.6
453.83817	0.6
471.04358	0.6
483.22778	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
57.03429	0.6
62.86600	0.3
65.03939	2.9
65.87673	0.3
67.05502	0.8
69.03416	1.5
69.26787	1.7
73.02946	0.3
81.03410	3.9
82.04185	1.0
85.02898	2.8
91.05485	1.2
93.03419	0.7
95.04943	1.9
97.02880	1.5
97.06521	0.9
99.04478	0.5
108.02057	0.4
109.02859	1.9
110.03644	1.4
111.04456	0.7
119.04940	3.1
123.04435	0.8
125.02337	0.4
125.05952	0.9
127.03917	0.9
137.05975	12.6
138.03105	0.8
140.04675	4.6
141.27167	0.3
142.02568	0.6
145.04836	0.4
147.04408	8.8
151.07552	0.6
153.05452	3.9
155.07066	2.7
161.05928	0.9
165.05452	0.3
171.06541	3.5
179.07027	5.3
181.04948	100.0
182.05302	1.6
193.08565	1.0
197.08047	1.2
199.06012	7.8
325.09183	5.6
343.06381	0.4
343.10278	8.0
382.27484	0.4
574.18011	1.0
574.25726	0.6
575.19360	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	2.9
69.03425	2.1
69.24113	4.1
70.06577	1.0
75.04472	2.5
75.55009	0.7
85.02891	2.7
91.05459	2.4
94.04184	1.5
95.04939	1.2
97.02910	0.8
103.05472	1.5
104.05544	0.7
106.78823	0.9
110.03642	1.4
114.82083	0.7
119.04939	1.9
121.06515	4.0
122.03647	3.2
123.04446	1.7
125.05989	3.7
131.04927	1.6
134.03639	1.0
135.04436	1.2
135.08124	0.8
137.05975	80.0
137.60770	0.6
137.69072	0.8
138.06311	1.0
143.04865	1.0
143.23279	0.8
147.04472	1.3
149.05969	14.3
149.07042	1.2
151.07542	10.0
153.06993	6.8
161.05974	2.0
163.03928	2.9
163.07518	2.6
164.92915	0.9
165.06982	1.9
167.08508	1.6
168.44957	0.7
169.06487	1.6
175.07582	1.2
179.07123	1.6
180.05711	0.7
181.06477	12.7
182.07103	0.9
187.07532	0.9
193.06467	0.9
195.08116	2.3
197.05992	2.5
198.06750	1.7
199.09644	1.7
205.08601	1.2
207.04465	2.0
209.06038	4.5
209.07736	0.8
211.07509	3.5
211.09669	3.9
213.09134	13.0
215.06985	0.8
221.05965	1.1
223.07448	1.5
225.05418	1.9
225.09180	1.3
231.69901	0.8
239.07031	2.9
240.07819	0.8
241.08600	16.1
242.09381	1.1
253.08571	1.9
255.10258	0.8
257.07947	1.3
258.08884	32.8
270.08862	1.2
271.09659	6.7
272.10431	58.3
273.11203	44.7
274.11603	1.3
279.09979	1.3
285.11240	2.3
299.12750	1.2
311.12695	5.3
315.12210	1.2
329.13776	2.4
347.14890	100.0
348.15210	2.9
359.14905	2.1
377.15735	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	2.2
67.05503	2.3
69.03446	1.9
69.07066	1.8
69.34467	6.9
79.05480	6.5
81.07037	3.6
87.14195	2.0
91.05491	12.6
95.04972	3.3
97.02861	2.0
97.06517	6.7
98.06932	1.9
98.23428	4.7
104.96365	2.1
105.06992	5.5
107.04940	9.6
107.08595	2.4
115.05422	4.5
117.07005	2.7
119.04922	8.8
121.06480	6.3
122.03661	4.5
127.03905	3.1
129.06966	7.4
131.04901	5.8
131.08583	2.5
133.06456	2.8
135.04466	2.3
135.08037	3.9
137.05971	72.1
140.43784	1.8
145.06482	2.0
147.04399	9.3
147.08040	3.7
148.05154	4.6
149.05934	6.5
151.03943	3.1
151.07527	32.7
154.41380	1.8
156.65596	1.9
157.06487	2.5
159.08054	3.1
160.11205	2.8
161.02364	2.0
161.05966	74.6
161.09595	18.4
162.06712	3.6
163.03882	5.5
163.07507	8.4
167.08495	2.0
174.06766	5.7
175.07542	16.2
177.09087	2.8
179.06999	2.7
179.08456	3.8
180.02704	2.0
183.40598	2.3
189.09090	39.1
191.08565	2.5
193.10220	2.8
195.08069	7.9
195.10135	5.3
201.09053	2.3
202.99062	1.8
207.08118	4.9
207.10139	60.5
209.09793	2.5
210.06778	3.9
215.06966	3.1
219.08064	5.1
219.10123	21.3
221.05872	4.3
223.07547	4.8
223.11156	2.1
225.09108	6.1
227.07059	2.9
227.10713	3.0
235.07547	3.9
236.08299	2.3
237.09076	4.7
239.06836	3.1
239.10722	2.7
240.07788	2.6
249.08994	2.4
251.06926	4.6
251.10637	3.8
252.07895	2.5
253.08554	8.8
253.12000	3.3
255.06502	3.5
255.10240	4.2
258.08728	4.3
259.09637	7.9
260.09927	4.1
265.08582	8.5
267.10162	5.9
269.11731	2.8
273.08661	2.0
277.08481	2.8
279.10104	5.5
281.08023	2.9
283.09500	4.9
285.11246	12.8
287.12817	4.7
290.65710	2.1
291.10165	2.7
296.10483	2.6
297.11203	24.1
299.12744	3.5
307.09518	2.5
309.11148	6.6
310.11816	2.8
311.12653	8.7
313.10696	2.6
313.14346	7.3
315.12265	6.2
323.12860	2.8
327.12128	2.5
329.13858	25.5
330.14581	2.1
331.15421	20.2
335.09427	10.5
336.09781	6.6
337.14325	4.9
340.12918	3.6
341.13821	3.5
355.15335	15.8
367.15436	6.2
461.19272	6.4
479.20718	16.4
491.20642	3.2
509.21350	4.7
573.29413	6.0
574.28912	100.0
575.20502	2.9
575.29584	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	574.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
61.72240	2.6
66.61665	2.5
69.30569	5.2
69.30972	12.5
72.40582	2.8
79.05486	9.4
81.07050	5.0
83.10909	2.4
90.97179	3.0
91.05464	24.6
93.07016	2.7
95.04979	8.0
97.06524	6.2
103.05484	3.4
105.07043	7.3
107.04959	12.7
107.08591	3.1
109.02839	3.1
109.06561	4.6
111.08075	3.1
114.39624	2.6
115.05437	3.6
117.07033	4.0
119.04952	21.7
119.08550	3.9
121.06499	11.9
122.03643	3.3
123.04473	4.2
127.03918	10.0
128.06274	4.5
129.07027	9.2
131.04950	8.4
131.08571	4.3
133.02846	6.1
133.06548	6.8
135.08005	5.2
137.05989	98.8
145.06506	4.1
147.04430	29.5
148.05074	3.5
149.06000	13.0
150.06674	3.3
151.03935	14.4
151.07541	49.9
157.06506	5.7
161.05977	100.0
161.09663	18.8
162.06731	5.8
163.03879	6.7
163.07500	14.3
165.05589	3.9
165.07001	4.0
165.09157	3.9
166.38734	3.2
174.06781	3.5
175.07538	22.7
177.09099	6.2
179.07092	18.1
179.08398	3.7
187.07681	3.4
189.09113	48.6
191.08569	4.5
193.12727	2.9
195.08234	5.7
195.10184	11.0
197.08092	20.2
205.06534	3.7
207.10155	76.5
209.09547	3.1
210.06825	3.5
212.08249	3.3
215.07162	3.5
219.08051	13.4
219.10201	44.1
219.83151	2.9
221.05994	7.0
222.06816	4.5
223.07442	7.1
223.11127	3.7
224.08479	2.9
225.09064	8.0
227.10655	8.7
235.07631	3.1
237.09143	9.6
241.08611	5.7
247.07471	4.6
248.08232	4.3
249.09123	5.1
251.06982	5.1
251.10637	6.0
253.08496	18.9
255.06616	3.8
255.10286	8.7
259.09662	10.5
265.08640	21.3
266.09146	4.6
267.10147	5.4
269.08188	3.3
269.11960	3.1
270.08917	6.9
273.11270	3.4
277.08780	5.3
279.10181	12.4
281.11670	5.2
283.09583	14.3
284.10275	3.3
285.11218	15.6
287.05945	4.1
287.12845	7.4
295.09634	8.5
296.10370	4.6
297.11218	38.7
299.12915	5.1
305.11639	3.9
309.11151	7.1
311.12863	23.4
313.14349	8.2
315.12357	7.9
323.12970	4.3
327.12042	4.6
329.13843	57.9
331.15369	22.6
336.09854	4.7
337.14365	9.7
341.13916	4.8
342.14645	3.3
355.15491	32.3
367.15378	14.8
397.16373	8.9
461.19519	9.3
479.20624	21.6
491.20706	10.1
509.21466	10.9
574.19611	56.6
574.28827	31.1
575.20282	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	574.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56618	0.7
55.05419	3.4
55.05714	1.7
56.04956	1.5
57.03362	1.2
57.03591	0.7
67.05396	7.6
69.06963	1.6
69.07284	1.0
70.98686	0.6
71.04913	0.7
71.07265	6.4
71.07681	1.0
71.08571	0.9
71.45417	0.7
73.31793	0.6
79.05379	5.3
81.03323	0.9
81.06939	5.9
81.91815	0.7
83.04890	1.9
83.08524	1.5
86.09583	40.0
86.10160	4.3
91.05350	4.7
93.06910	5.8
95.04838	2.2
95.08485	4.8
97.06460	1.1
104.10609	4.6
105.06903	2.5
107.08454	2.3
109.10078	1.6
111.07998	0.7
117.06892	0.8
118.26308	0.7
119.08463	1.7
121.10018	1.5
131.08432	0.8
133.09964	2.4
135.11584	0.9
146.98164	15.9
147.11594	1.2
149.13040	0.8
153.01697	1.1
159.11620	0.7
161.13177	0.8
164.99167	0.8
327.68085	0.7
335.21918	4.3
391.24530	88.4
392.24899	2.3
436.03790	0.9
447.84698	0.7
515.23798	100.0
516.24005	3.0
574.31158	43.0
575.20569	1.3
575.30847	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44490	0.3
61.02896	0.3
67.05504	0.3
69.03416	0.7
69.07094	0.5
69.18807	1.8
69.42877	0.3
70.55256	0.3
71.33952	0.3
72.30634	0.3
77.18450	0.3
81.07061	0.7
85.02916	1.0
87.04486	0.3
91.05479	0.5
95.04972	1.0
97.02865	0.7
98.23438	0.6
100.11266	0.4
105.07018	0.3
107.04937	0.5
107.08574	0.4
109.06509	0.4
109.10136	0.5
117.07025	0.5
124.79440	0.4
125.02367	0.4
125.06055	0.5
137.06015	0.4
137.09631	0.7
144.08089	0.6
151.03934	1.1
153.05536	1.0
153.91573	0.4
161.05859	0.3
163.03918	0.5
165.05467	1.0
165.09166	0.7
166.09319	0.4
167.07114	0.5
168.08076	0.6
169.04695	2.4
169.07765	0.3
176.08142	0.6
177.05522	0.4
188.07109	1.0
191.07129	0.4
195.06546	0.9
217.04787	0.8
221.07912	2.8
232.07051	7.9
263.09088	0.9
343.13068	0.5
349.12589	1.3
365.12057	8.6
381.14432	0.4
395.16293	0.4
396.14572	1.0
413.16922	1.1
544.18616	0.3
575.20966	100.0
576.21210	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	575.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.7
66.03992	0.6
69.07058	0.8
69.18013	3.9
72.08137	0.6
79.05469	1.1
81.03426	0.8
81.07066	1.8
85.02937	0.7
91.05478	1.5
93.07058	1.3
95.01089	1.8
95.04953	1.7
95.08609	1.7
96.01888	0.9
97.02964	0.6
97.06541	0.9
98.23441	1.4
100.11301	0.7
103.41927	0.6
105.07055	1.4
107.04916	0.8
109.06509	0.8
110.97108	0.6
112.01385	1.3
113.02127	2.3
119.08604	0.6
121.10120	1.2
123.08099	0.8
127.03886	1.0
131.04924	1.0
131.08508	0.6
133.10121	1.0
135.04504	0.7
137.05952	1.0
145.10135	0.6
151.03909	0.8
153.01837	0.9
159.11719	0.7
163.03917	1.8
165.05461	2.0
165.09100	1.0
166.05838	0.6
167.03145	1.3
167.07112	1.1
185.04250	5.1
185.05742	0.9
195.06525	3.7
196.06902	2.5
201.03670	1.1
201.05287	2.3
203.05275	1.5
215.06911	0.6
216.07536	12.5
221.07944	0.8
241.71811	0.6
259.09668	1.0
259.84756	0.6
260.10092	0.7
271.06067	2.0
287.05438	5.5
351.10660	1.5
365.12259	1.7
381.11505	0.7
391.13748	0.9
392.21170	0.9
516.20618	0.7
522.76721	0.8
575.20947	100.0
576.21460	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.3
53.03935	4.1
55.01868	2.8
56.05036	1.2
56.62059	1.0
57.03431	5.1
61.02919	7.2
67.05500	3.6
69.03425	24.2
69.32593	5.8
71.01365	1.3
71.04990	2.7
73.02900	4.3
74.02412	2.2
77.03922	2.4
79.05499	6.7
81.03415	14.7
81.07050	2.6
83.01336	2.8
85.02899	48.3
87.04475	5.6
91.03967	1.4
91.05476	3.6
93.07027	1.2
95.04971	13.8
97.02887	20.2
98.23444	2.1
99.04452	4.2
103.03947	1.6
103.05480	4.7
105.03438	1.8
105.04488	2.5
106.06561	4.8
107.04981	6.0
109.02882	7.7
109.06521	2.5
115.03944	1.5
115.05484	1.4
117.05778	1.8
117.06995	2.6
118.06535	16.8
119.04960	1.5
121.06500	2.3
123.04418	7.4
124.03934	1.4
126.05504	1.3
127.03907	8.0
129.07031	3.9
130.06531	49.5
131.04909	3.6
132.08104	6.2
133.02899	2.2
135.04425	3.4
137.06035	2.0
139.03902	8.5
140.07062	1.6
141.05438	1.3
142.06505	2.8
143.07320	6.8
144.08080	65.8
145.04936	3.1
146.06009	50.8
146.47809	1.3
147.04478	2.2
148.07613	1.1
149.02393	1.3
149.06049	2.7
151.03891	8.1
154.06531	11.9
155.07271	4.9
156.08078	16.5
158.06090	2.1
158.08348	1.3
158.09628	22.6
159.04471	5.3
159.09140	1.5
160.07599	2.7
165.05476	60.4
167.07294	16.8
168.08083	54.2
168.09537	2.4
169.07582	30.9
169.08824	3.8
170.05995	9.8
170.09657	3.8
172.07594	3.0
176.07033	2.0
177.05447	3.4
179.07115	1.6
180.08061	22.0
181.08868	3.1
182.06006	3.6
182.08246	1.3
182.09665	20.8
183.06732	4.5
183.09219	1.8
184.07582	1.9
184.11322	1.3
186.09132	1.9
188.07059	82.9
189.05527	1.7
191.07190	5.1
192.08049	11.7
193.08861	3.8
194.06024	2.0
194.09657	6.5
196.07556	5.8
196.11267	2.1
200.07033	13.9
202.08665	1.7
204.08072	9.5
205.09056	5.1
206.09746	5.4
208.07616	9.7
208.09468	2.3
208.11305	1.8
209.08229	3.8
210.09113	18.8
212.07030	1.7
212.16809	1.3
213.07875	3.1
214.08604	10.8
215.08168	12.4
217.09174	4.5
218.09633	6.1
219.10623	2.3
220.07608	15.9
220.11203	7.4
221.08400	6.0
221.10272	1.2
222.09236	6.5
224.07028	6.3
225.07877	2.4
226.08659	3.3
226.10683	1.7
228.08076	1.5
230.09715	5.2
230.53859	1.1
231.11343	10.5
232.07492	1.6
232.11269	4.2
233.08305	2.5
234.09193	2.6
234.12827	4.9
235.06300	1.3
236.07143	4.1
237.08052	1.5
237.10265	1.2
238.08618	31.4
238.10828	2.1
238.12308	1.5
240.10214	2.1
241.09430	1.1
242.09573	1.2
243.10558	2.1
244.11252	10.8
246.09160	2.5
246.12804	1.4
247.10051	1.4
248.07043	16.4
248.10843	3.1
249.07837	4.4
249.13982	1.1
250.08714	10.0
251.09438	1.2
252.10263	4.7
254.09727	4.7
256.11316	1.8
257.08371	1.7
258.09167	4.6
260.10797	2.4
262.12265	7.0
263.08298	3.1
264.13852	1.6
265.09692	13.5
266.08014	8.3
266.10513	1.0
267.08734	1.8
267.11264	1.3
270.11362	4.6
271.09918	1.9
272.10672	11.7
274.08435	1.9
274.12289	1.7
276.10196	3.2
277.07474	1.2
278.08200	2.0
280.13400	2.4
282.09521	2.2
286.08643	2.7
290.11713	11.8
293.09555	2.1
293.12830	8.8
294.07578	3.9
295.08420	4.9
300.09988	6.7
304.13272	1.4
306.11276	1.7
308.12744	6.5
310.10797	1.3
311.10306	19.9
311.13831	2.2
317.13034	2.6
318.11081	8.2
322.14395	10.3
325.11990	3.6
326.10251	2.3
328.09732	1.5
332.12964	1.6
335.13882	12.0
338.13889	2.5
340.15408	19.9
343.08743	2.6
343.12866	36.3
344.13135	1.9
346.07010	1.3
346.10599	5.5
350.13873	1.6
363.13364	8.6
364.11859	5.6
367.16776	1.6
377.14795	1.6
378.13327	12.1
381.14407	27.9
395.16028	36.6
396.14404	49.5
413.17044	100.0
414.17392	3.3
468.73340	1.2
557.21680	2.1
558.19733	27.3
575.22260	43.5
575.31024	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.6
55.01877	2.4
57.03438	4.7
61.02930	6.8
65.03941	1.3
67.05505	3.2
69.03430	20.7
69.33134	5.4
71.01336	1.3
71.05003	2.9
73.02940	2.5
75.45864	0.9
77.03937	1.9
78.20979	0.9
79.05473	5.6
80.05027	1.4
81.03416	10.7
83.01328	1.9
85.02905	40.2
87.04474	3.0
89.18676	0.9
91.03976	1.6
91.05491	4.5
93.07204	1.1
94.18155	1.1
95.04964	15.7
97.02892	14.1
98.22733	2.0
99.04468	2.9
101.02369	1.1
103.05486	2.9
105.03413	1.3
105.04520	1.6
105.07065	1.1
106.06570	2.4
107.04954	3.6
109.02891	6.1
109.06532	2.6
113.43455	1.0
115.03981	1.4
115.05474	1.7
118.06535	7.8
121.06502	1.5
123.04437	4.7
124.03954	1.3
127.03899	6.7
129.07047	2.8
130.06525	37.1
131.04942	2.7
131.07356	1.2
132.08131	5.1
132.09062	1.1
133.02902	2.5
133.06479	1.2
135.04434	2.2
137.06038	2.2
139.03928	8.6
140.07079	1.5
141.05403	1.3
142.06517	2.6
143.07301	4.7
144.08083	53.9
145.04991	3.2
146.06009	39.3
147.04433	1.4
149.06024	3.4
151.03883	6.1
153.05688	1.1
154.06528	9.6
155.07300	3.9
156.08096	13.4
157.08894	1.4
158.06073	1.5
158.09639	20.0
159.04445	3.0
159.09207	1.7
160.07681	1.7
163.03961	2.0
165.05475	51.6
167.07286	10.8
168.08086	40.9
168.09525	1.8
169.07610	24.6
169.08775	1.8
170.05998	7.7
170.09688	3.4
171.09299	1.4
172.07637	2.5
176.07069	2.3
177.05411	2.0
179.07219	2.3
180.08070	14.3
181.08835	3.1
182.06085	3.2
182.09665	18.9
183.06691	3.0
184.07571	2.6
185.10947	1.0
188.07066	71.2
189.05557	1.6
189.07483	1.4
191.07179	3.8
192.08070	8.3
193.08907	3.3
194.06012	1.2
194.09615	5.4
195.06882	1.6
195.10481	1.3
196.07603	4.9
200.07056	11.8
204.08104	5.8
205.09073	2.3
206.09663	4.9
207.07002	1.5
208.07617	4.7
208.09497	1.7
208.11354	1.7
209.08293	3.3
210.09123	13.3
210.12944	1.2
212.07043	2.0
213.07813	1.9
214.08661	8.1
215.08151	10.9
217.09743	5.2
218.09689	4.6
219.10533	2.0
220.07645	12.1
220.11157	5.9
221.08374	3.8
221.10522	1.4
222.09190	6.9
224.07065	4.1
225.07861	1.3
226.08641	2.6
226.10773	1.9
230.09746	4.0
231.11302	9.5
232.11308	2.9
233.08392	1.9
234.09402	1.8
234.12772	2.8
235.06422	1.9
235.08649	1.2
236.07111	2.8
237.07826	1.4
237.10309	1.5
238.08641	25.6
238.10800	1.8
239.09309	1.4
240.10222	2.5
243.10640	1.4
244.11188	7.4
246.09270	2.4
246.12798	2.1
247.12303	1.2
248.07050	13.7
248.10841	1.9
249.07986	2.5
250.08649	8.8
251.09439	2.1
252.10281	3.4
254.09607	2.7
255.10585	1.4
256.11261	1.9
257.08389	2.0
257.76184	1.1
258.09158	2.6
260.10767	1.7
262.09003	1.2
262.12378	4.8
263.08130	1.8
264.13785	1.1
265.09659	8.5
266.08020	6.6
267.11465	1.4
270.11334	4.0
272.10675	8.8
274.08530	1.7
276.06583	1.7
276.10196	3.0
278.08072	1.2
280.13254	2.0
284.10858	1.2
286.08768	1.7
290.11829	8.5
293.09396	2.7
293.12930	9.1
294.07672	4.1
294.14722	1.2
295.08279	5.7
300.10263	5.0
304.09750	2.4
308.12814	7.2
311.10306	16.8
311.13760	1.7
317.12854	1.3
318.11224	6.6
322.14398	12.3
325.11826	1.9
326.10327	2.7
327.13644	1.4
328.09552	1.5
335.13928	12.3
338.13953	2.3
340.15417	21.2
340.19272	1.7
343.12888	38.5
346.10822	4.6
363.13351	10.8
364.11938	4.1
366.73059	1.0
378.13394	10.0
381.14447	29.5
382.14578	1.4
395.15994	34.8
396.14383	45.1
397.14761	2.1
413.17068	100.0
414.17471	4.2
557.21368	2.6
558.19788	27.7
559.20355	1.6
575.22363	47.8
576.22791	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.05498	1.0
65.03929	0.9
67.05500	7.0
68.27500	0.7
69.03411	2.2
69.25956	2.9
69.26358	0.9
70.06605	0.7
79.05485	2.2
81.03413	6.7
81.07046	4.2
85.02901	2.0
91.05470	12.6
93.07052	1.5
94.04189	1.6
95.04951	2.2
95.08586	3.1
97.02882	2.4
98.22706	1.4
99.04436	1.2
107.04923	1.2
107.08590	1.0
108.04448	0.8
109.02871	8.2
109.06511	1.6
109.10150	20.5
111.04391	0.6
119.04939	27.7
119.08594	1.1
122.03631	3.9
125.05979	1.6
127.03902	2.9
135.04399	0.8
135.08107	0.8
137.05969	100.0
137.09599	50.1
138.06302	1.5
138.09943	1.4
144.08067	1.0
147.04398	57.0
151.03909	2.2
151.07539	2.6
155.10657	2.5
161.05994	0.7
163.03906	1.5
165.09108	54.7
166.09479	1.0
168.08044	0.7
179.07022	52.8
180.07344	1.2
181.04958	1.5
183.10193	4.8
188.07030	1.3
197.08081	11.7
201.11163	3.9
211.09845	0.7
225.28893	0.7
240.10255	0.8
243.88727	0.7
263.12802	0.9
273.11288	0.7
291.12210	7.0
309.13281	19.2
309.16879	1.0
310.13916	0.8
327.14288	3.7
345.15530	0.9
397.14786	0.8
414.17340	1.0
545.19714	0.7
559.20581	0.9
576.21069	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.01865	1.1
55.05511	1.3
55.84933	0.5
57.03406	1.0
67.05501	2.3
69.03416	1.9
69.07061	1.3
69.29789	3.1
71.04981	2.7
79.05485	4.3
79.51867	0.7
79.74341	0.6
81.03426	1.1
81.07047	4.6
83.04990	1.5
85.02892	2.4
85.06521	0.7
86.06093	0.7
91.05470	2.2
93.07056	3.3
95.04975	5.0
95.08603	4.5
97.02905	4.5
97.06519	1.4
99.04443	2.3
99.08073	0.8
105.04520	0.6
105.07030	4.9
107.04949	1.9
107.08588	3.1
109.02871	1.6
109.06525	3.0
109.10137	2.5
111.04476	0.7
111.08075	12.5
115.03979	0.9
116.10727	2.1
117.03422	0.7
119.08598	1.2
120.08134	0.6
121.06510	1.0
121.10154	0.9
123.04420	2.2
123.08057	2.2
125.05980	1.1
127.03916	57.3
131.08568	0.9
133.06525	2.9
133.10092	0.9
135.04401	1.4
135.07973	0.7
135.11757	0.9
137.05991	1.4
137.09566	3.6
145.10103	1.4
151.03918	8.8
151.07532	4.3
152.96649	0.6
153.01816	0.7
153.05408	1.0
163.03918	5.1
164.04309	1.4
165.05479	0.8
165.09108	3.2
169.08539	1.0
177.05516	1.3
179.07039	18.4
197.08093	100.0
198.08452	1.4
201.11206	1.0
209.08066	1.1
214.18018	6.3
232.96771	0.5
247.16954	1.2
250.05939	0.5
271.05908	2.7
272.06360	2.9
316.21509	1.1
350.49619	0.6
359.13297	1.8
361.16611	0.8
388.64523	0.7
392.21350	0.7
414.28369	1.4
558.21814	0.8
576.14972	1.1
576.30585	2.3
577.19971	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01864	0.8
55.05510	1.2
57.03439	1.1
59.04985	0.8
61.02923	0.7
65.03933	0.8
67.05498	2.3
69.03436	3.6
69.07059	1.9
71.04976	0.5
71.08636	5.8
72.08146	1.6
79.05482	1.7
81.03414	2.5
81.07056	1.6
83.08599	0.9
84.08156	1.3
85.02892	3.8
85.06532	0.8
86.06075	4.7
86.09719	0.6
91.05505	2.9
93.07056	3.6
95.04980	2.5
95.08601	5.5
96.08105	1.9
97.02874	2.6
97.06538	2.8
98.06023	0.9
98.09676	2.4
99.04452	1.0
99.08098	3.3
105.07030	1.6
107.04942	3.4
107.08590	2.4
108.08097	1.6
109.02879	3.0
109.10156	2.4
111.08040	0.6
116.10731	18.1
117.07010	1.0
119.08583	3.8
121.06516	1.5
122.09644	1.1
124.07565	1.2
127.03905	1.8
129.07010	0.7
131.04892	0.9
133.10179	0.6
135.11676	1.2
136.11252	0.8
137.09656	3.5
139.03891	2.0
140.10739	0.7
143.10664	1.9
145.04935	0.6
145.06465	1.6
147.08070	1.9
151.03845	0.6
153.12730	2.5
154.15884	2.7
163.07599	1.3
164.14333	0.8
165.05489	7.6
165.09064	1.4
166.15921	1.9
167.07101	1.4
171.13826	1.6
173.05966	1.0
174.06387	0.8
177.05492	1.3
178.15921	1.2
183.10164	0.7
191.06978	1.5
195.06502	0.8
196.16994	5.6
199.10690	0.5
199.73161	0.6
201.11285	2.8
203.60594	0.5
209.08148	1.9
214.18018	100.0
215.18369	2.4
220.06828	0.6
227.09167	1.9
238.07922	0.7
280.19153	1.3
316.21161	9.2
376.23285	13.7
414.23355	1.0
414.28513	13.2
478.26370	2.2
490.52448	0.6
541.42853	0.6
571.21173	0.6
576.22528	0.9
576.33246	6.2
577.20502	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04620	0.6
54.89389	0.7
55.01886	0.9
55.05501	2.6
57.03434	1.3
61.02906	0.7
62.06076	1.0
67.05510	4.4
69.03430	4.6
69.07054	1.7
70.06596	1.2
71.05008	1.2
71.08626	4.3
72.08133	2.0
73.02907	0.9
81.03403	2.0
81.07058	3.4
83.04978	0.8
84.08116	1.3
85.02913	6.3
85.06526	2.3
86.05557	1.3
86.06063	20.0
91.05479	5.8
93.07041	4.7
95.04942	1.9
95.08603	9.7
96.08131	3.9
97.02894	2.7
97.06529	1.3
98.05994	0.7
98.09680	6.9
99.04464	2.2
99.08110	3.0
100.07603	0.9
105.07013	2.2
107.04954	2.6
107.08582	1.7
108.08114	2.2
109.02855	1.9
109.06532	0.7
109.10146	3.5
110.09688	0.6
111.08051	1.6
112.07563	0.7
114.09154	1.0
116.10725	47.7
117.07017	1.3
118.37936	0.6
119.08566	9.4
121.06531	1.4
121.10171	1.3
122.09654	1.4
123.04491	0.6
123.07999	0.9
123.35904	0.7
124.07619	1.4
124.94638	0.5
127.03913	2.0
128.60144	0.6
130.54280	0.6
131.08533	0.7
134.09612	0.7
135.11668	1.7
137.09599	6.4
138.09105	1.1
140.05536	0.6
140.10661	1.1
142.08655	4.6
142.12251	1.5
143.10683	5.5
145.04956	1.3
145.10074	0.6
147.08003	1.7
147.11717	0.9
151.03842	0.7
152.10722	0.6
153.01836	1.8
153.12747	2.7
159.04254	0.7
159.11708	0.9
163.03891	1.4
165.05476	2.6
165.09123	1.8
167.07085	0.7
177.05438	0.8
179.03345	2.0
181.12201	0.9
187.07521	2.1
196.16884	1.0
202.49930	0.7
209.08035	1.0
209.11653	0.7
214.17976	9.7
220.16989	0.7
227.12779	1.0
236.20030	1.5
238.18060	1.5
241.08592	1.2
245.13806	2.0
254.21132	7.3
256.18985	4.3
259.09726	0.7
261.13217	1.3
262.17999	1.1
280.19052	7.7
287.05521	1.5
288.05817	0.9
298.20111	8.6
301.07181	0.7
316.21167	100.0
317.21600	2.1
383.11246	1.1
396.27414	1.8
414.28485	26.6
415.13672	1.5
415.28729	0.9
478.26514	13.3
558.32526	1.7
576.21393	5.3
576.33594	7.2
577.20667	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	576.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79746	5.9
53.03942	5.7
55.01876	19.1
55.05513	64.8
56.74329	5.3
67.05508	57.2
69.07062	20.9
70.40096	6.0
73.42825	7.4
79.05492	60.2
81.03416	13.5
81.07055	100.0
83.04987	12.6
83.08620	24.1
91.05457	36.9
93.07054	45.1
95.04961	27.7
95.08611	23.7
97.10172	33.9
98.22714	15.4
99.08102	7.6
99.73313	5.6
105.07043	31.0
107.04961	10.1
107.08585	33.1
109.10153	19.4
111.04451	16.8
111.08092	7.3
117.07019	18.7
119.08582	43.2
121.06516	16.6
121.10144	26.3
123.08049	24.1
125.09659	29.2
131.08549	23.2
135.08087	12.5
135.11691	12.9
145.10141	23.0
147.08034	20.6
149.09647	9.9
153.09111	10.8
153.12781	7.4
159.11722	8.9
163.11211	19.9
165.09164	13.6
171.11746	8.3
173.09659	10.7
181.12291	13.6
189.11183	13.8
195.11804	6.3
202.21634	7.1
225.19482	6.8
239.61447	6.5
267.68585	5.8
273.18503	30.3
275.20020	6.3
291.19565	99.0
347.72971	7.1
518.34906	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	576.426
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51053	8.4
55.05512	50.3
67.05504	56.2
69.07067	17.9
69.14545	42.8
79.05485	57.8
81.07056	69.6
83.04978	10.1
83.08629	27.5
86.50455	6.9
91.05473	83.4
93.07041	57.3
95.04971	37.5
95.08606	39.8
96.13407	7.5
97.06569	14.3
98.23444	14.3
105.07022	66.0
107.04952	14.1
107.08545	41.1
109.10145	8.9
117.07020	18.4
119.08568	100.0
119.33956	10.3
121.06515	10.2
121.10160	30.1
122.86174	8.0
123.08096	11.4
125.09594	7.4
131.08560	24.4
133.10097	61.1
135.08014	10.0
135.11716	14.4
136.53621	7.8
143.08540	13.8
145.10117	46.6
147.11702	23.4
149.09627	21.1
157.10072	17.9
159.11635	11.5
163.11185	30.6
163.58395	8.3
171.11745	9.9
179.14313	9.9
218.55061	8.4
223.13297	19.0
247.16885	38.3
257.19000	11.9
275.20047	73.0
293.21051	22.5
558.38104	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	576.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	19.3
55.05506	18.4
57.03444	5.9
57.07071	9.6
66.55663	5.6
67.05515	29.2
69.07072	66.0
69.63718	9.0
69.64072	20.8
71.08633	10.2
73.06577	7.9
78.10863	5.0
79.05489	57.3
81.03417	16.9
81.07056	100.0
83.04977	8.1
83.08604	9.6
91.05467	44.7
93.07047	44.6
95.04964	32.4
95.08613	21.1
97.06545	15.6
105.07018	27.7
107.08614	24.8
109.06541	27.4
109.10184	10.6
117.07040	17.0
119.08577	28.0
121.06513	10.4
121.10143	12.1
123.08097	16.2
125.06017	20.2
125.09632	26.6
129.07019	18.1
131.08568	22.5
133.06483	6.4
133.10185	11.4
135.08073	20.6
137.09608	5.4
139.11186	6.9
143.07022	31.2
143.08574	13.2
145.10094	13.0
147.08037	25.5
149.09592	15.4
153.09087	43.5
157.10143	14.7
161.08127	7.0
165.09163	9.4
175.11220	6.7
181.03429	5.2
181.08643	13.0
199.09624	5.9
199.14815	19.5
201.16505	7.0
217.15898	30.7
245.12949	6.0
245.15195	27.4
259.94614	5.1
263.16443	85.7
267.15918	16.7
313.27432	12.0
468.45859	5.7
505.38843	12.0
547.91669	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	577.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.4
53.03944	3.2
55.01883	5.9
55.05510	11.4
57.03442	6.0
57.07072	2.4
58.12007	1.3
65.03922	1.4
67.05502	29.1
69.03439	5.8
69.07073	10.3
69.20966	6.7
71.04988	2.9
73.02913	5.4
77.03934	1.7
79.05037	2.7
79.05498	48.3
81.03423	7.0
81.07056	35.7
83.04986	3.4
83.08611	5.3
85.02901	6.5
85.06531	2.5
91.05481	41.6
93.07048	54.2
95.04971	4.8
95.08603	23.8
97.02891	3.5
97.06536	2.5
97.10173	2.2
98.98470	1.5
99.04443	3.8
99.08076	2.9
105.04520	2.4
105.07031	44.8
107.04984	1.3
107.08596	34.2
109.02871	14.7
109.06577	2.0
109.10180	10.6
109.10842	2.1
110.03672	5.5
111.04436	7.3
113.09635	1.7
117.07028	9.7
119.08589	39.8
121.06482	1.3
121.10148	29.3
123.11715	4.2
125.09628	2.1
127.03919	6.7
128.06244	2.3
129.06987	8.8
131.08585	17.2
132.99576	2.7
133.10135	31.4
133.11145	1.7
135.11687	27.3
143.08604	7.9
145.10135	19.0
147.07985	1.4
147.11684	32.0
149.09621	2.7
149.13261	17.4
151.11177	1.9
153.01834	4.8
157.10135	8.3
159.11688	18.9
161.09663	1.8
161.13263	23.9
163.11211	2.7
163.14818	4.8
169.10056	1.8
171.11682	10.3
173.13284	9.6
175.11223	2.0
175.14822	13.1
177.12778	2.3
185.13235	12.1
187.14818	2.3
189.12837	2.0
191.00066	6.5
195.08113	1.3
197.09755	1.5
199.14856	7.1
201.51437	1.3
203.14297	2.0
210.01917	1.2
213.16431	3.8
217.15947	2.3
217.19615	1.4
231.17503	1.9
231.21136	7.3
231.67131	1.3
241.19495	27.2
259.20590	68.5
261.21973	2.2
274.99164	1.2
275.20044	1.8
277.21655	8.5
301.21567	1.9
315.23224	1.5
333.24265	8.8
351.25290	100.0
352.25549	3.3
353.17142	9.0
367.22372	2.0
375.25626	1.6
390.81207	1.2
393.67157	1.3
425.26718	1.4
441.26144	1.8
467.20386	2.9
485.22137	1.9
490.19241	1.4
533.54504	1.6
541.24518	1.6
559.25574	5.9
577.26245	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1501
Annotation	Kaempferol 3-(6''-(Z)-cinnamylglucoside)
Peak:m/z	Relative Intensity
53.03935	0.4
55.05502	0.2
59.29689	0.2
63.00002	0.1
67.01856	0.6
67.05516	0.3
68.99805	0.5
69.03413	0.6
69.25830	0.2
69.26226	0.7
79.05492	0.3
81.03412	0.6
81.07059	0.4
81.53262	0.2
85.02912	1.0
86.09716	0.2
88.57101	0.2
91.05479	0.3
93.07040	0.4
95.04964	0.4
95.08601	0.3
97.02898	0.3
103.05462	3.5
105.04502	0.3
105.07044	0.4
107.04938	0.5
107.08578	0.4
109.02875	0.5
109.06502	0.2
109.10136	0.3
117.03409	0.2
120.08089	0.2
121.10105	0.3
127.03905	0.5
129.01888	0.2
131.04926	11.5
135.04425	1.6
137.02347	0.6
137.05887	0.2
140.35701	0.2
145.04942	0.3
147.04358	0.3
149.05966	0.7
151.03993	0.2
153.01826	6.2
161.02316	0.8
161.13171	0.2
165.05450	0.4
167.07039	0.4
171.02824	0.9
177.05490	0.4
179.03432	0.4
191.07117	0.3
219.06456	0.2
241.04922	0.7
245.04472	0.3
269.04385	0.4
271.05972	1.5
275.09140	1.0
287.05493	100.0
288.05844	1.9
293.10120	0.2
361.74921	0.2
519.28107	0.2
579.14990	0.5
579.23407	0.2
579.32208	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1499
Annotation	Apigenin 7-(6''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
59.33685	0.1
60.05371	0.1
65.03934	0.3
67.01868	0.5
68.99772	0.5
69.03431	0.3
69.27954	0.3
79.05420	0.1
81.03419	0.7
85.02893	0.3
91.05479	2.3
97.02909	0.1
98.23521	0.1
99.04473	0.1
105.07042	0.1
109.02885	0.3
111.00786	0.1
119.04940	6.5
121.02880	1.1
127.03937	0.2
129.01804	0.1
141.06947	0.1
145.01820	0.1
145.02852	1.1
147.04402	24.1
148.04755	0.2
153.01820	6.4
163.03922	0.6
165.05531	0.6
167.06981	0.1
171.02892	0.9
173.05904	0.1
185.05887	0.1
187.03891	0.1
197.06012	0.1
202.06252	0.1
203.07024	0.4
211.03772	0.1
221.80826	0.1
225.05424	0.8
229.04982	0.5
231.17340	0.1
242.28914	0.1
243.06543	0.3
247.06134	0.1
254.05913	0.1
261.09070	0.1
270.04980	0.1
271.05991	100.0
272.06329	1.9
291.08612	1.6
309.09686	0.7
313.07080	0.1
367.11642	0.1
540.18823	0.1
579.14813	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1501
Annotation	Apigenin 7-(4''-Z-p-coumarylglucoside)
Peak:m/z	Relative Intensity
65.03938	0.2
65.44263	0.1
66.99470	0.0
67.01862	0.5
68.99456	0.1
68.99780	0.5
69.00113	0.1
69.03442	0.1
69.07066	0.1
71.45441	0.0
79.05501	0.1
81.03414	0.4
81.07058	0.1
81.31152	0.0
85.02892	0.2
86.09676	0.1
88.64182	0.1
91.05476	1.8
91.06059	0.1
93.07056	0.1
95.04983	0.1
95.08615	0.1
97.02884	0.1
103.05522	0.0
105.07028	0.1
107.04977	0.1
109.02872	0.2
111.00771	0.1
118.59348	0.0
119.04937	4.1
119.08625	0.1
121.02863	0.7
127.03884	0.1
129.01825	0.1
131.04877	0.1
131.08588	0.1
133.10040	0.1
135.11653	0.0
136.50014	0.0
137.06020	0.1
141.06931	0.1
145.02831	1.0
145.06592	0.0
147.04398	12.7
148.04762	0.1
149.13307	0.0
153.01816	5.3
154.02182	0.1
163.03906	0.6
165.05469	0.2
167.07043	0.1
171.02878	0.7
185.05878	0.1
187.03905	0.2
203.07077	0.4
209.08052	0.0
225.05388	0.4
229.04984	0.3
243.06328	0.2
247.06050	0.1
254.05904	0.1
270.05063	0.1
271.05981	100.0
272.06314	1.8
283.06070	0.1
291.08524	0.5
309.09625	0.2
431.85818	0.1
433.11023	0.1
579.14001	0.4
579.23279	0.7
579.33453	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	579.1708
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
57.03436	0.4
57.83270	0.1
61.38214	0.1
67.01848	0.3
68.99789	0.2
69.18096	0.5
71.04993	3.2
75.04449	0.2
83.04963	0.1
85.02906	3.4
91.05432	0.2
98.22705	0.2
109.63817	0.1
119.04938	1.1
121.02864	0.4
129.05496	0.7
145.02788	0.5
147.06525	0.1
153.01820	3.0
153.03064	0.2
163.03874	0.3
167.06950	0.1
171.02844	0.2
175.90752	0.1
187.03856	0.1
203.07083	0.1
225.05396	0.3
229.04967	0.1
243.06453	0.2
247.05998	0.1
271.05984	100.0
272.06320	3.8
327.28558	0.1
407.86261	0.1
433.11285	13.5
434.11700	0.6
494.07993	0.1
567.91345	0.1
579.16931	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	579.1711
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
54.40668	0.2
57.03418	0.6
67.01863	0.3
67.05505	0.3
68.99809	0.2
69.03415	0.5
69.07065	0.2
69.22292	0.7
71.04637	0.3
71.04994	3.6
74.09688	0.6
75.04476	0.2
78.82941	0.2
79.05490	0.4
81.07034	0.6
85.02904	4.0
91.05478	0.6
93.07036	0.5
95.04956	0.8
95.08556	0.2
97.02843	0.3
98.22760	0.3
103.05473	0.3
105.07030	0.7
107.04980	0.3
107.08561	0.4
109.02901	0.3
110.84434	0.2
111.04487	0.2
115.05442	0.2
119.04936	1.2
121.02866	0.5
123.04391	0.3
125.09654	0.2
127.03872	0.4
129.05473	0.9
131.04948	0.3
133.10136	0.5
135.04410	0.3
137.05992	0.5
139.03896	0.2
143.10684	0.3
145.02824	0.5
145.04942	0.3
145.10045	0.2
147.04460	0.3
147.06406	0.2
151.03888	0.7
153.01826	3.3
159.11786	0.2
163.03932	1.2
164.04147	0.2
165.05478	0.5
167.07016	0.6
171.02884	0.3
181.04955	0.3
189.05486	0.5
207.06529	0.3
219.17567	0.4
225.05420	0.2
271.05988	100.0
272.06314	3.2
307.09668	0.2
363.10425	0.2
417.11566	0.2
433.11288	15.8
434.11691	0.8
481.18161	0.2
579.20642	1.0
579.30377	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65758	2.0
58.04517	1.9
59.04992	6.2
67.05495	5.0
69.03426	8.2
69.26038	10.1
70.06580	4.1
70.76810	2.2
71.01342	4.1
78.03452	2.0
79.05502	14.5
81.03416	6.5
83.01293	2.3
83.04984	8.6
83.29752	2.0
85.02902	8.3
91.05481	4.8
93.07030	6.1
95.04973	29.4
97.02874	7.2
98.22740	4.8
103.05460	6.2
106.02949	4.0
107.04247	4.1
107.04959	64.7
109.02881	78.3
109.06518	4.5
111.04473	11.1
121.06503	16.9
123.04436	7.0
124.03968	9.6
125.02338	7.6
127.03923	3.1
129.05467	4.0
131.04938	3.8
135.04422	61.4
136.04720	2.4
139.03909	35.6
139.07655	2.6
149.05965	24.6
151.03894	16.6
153.05507	10.7
157.04964	4.8
159.04434	4.3
163.03908	6.1
165.05463	55.9
165.06792	3.5
167.07060	18.5
177.05476	70.1
191.06958	3.0
193.07092	2.7
195.06552	18.7
203.05479	8.2
208.23512	2.0
209.08087	100.0
217.05139	2.3
217.07115	3.1
241.08650	2.7
268.08167	3.3
296.89032	2.2
299.07791	2.0
319.64624	2.5
331.10126	2.6
351.10825	7.6
369.11789	56.7
383.13446	4.7
396.56183	2.3
401.14407	7.4
526.13184	5.9
562.15790	2.2
597.24689	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	580.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.4
59.05000	4.7
67.05503	6.6
69.03430	8.3
77.03950	3.0
79.05482	15.7
81.03421	8.1
81.07099	2.4
83.04980	6.0
85.02908	10.4
85.94195	1.8
89.03904	2.3
91.05484	4.4
93.07050	6.9
95.04965	28.2
97.02900	7.2
103.03946	3.5
103.05468	6.7
105.04499	3.4
107.04957	63.8
109.02878	89.8
109.06515	5.7
111.04430	12.5
116.51051	2.3
117.03398	2.5
120.08054	1.9
121.02833	2.1
121.06515	12.4
123.04430	8.1
125.02380	9.8
125.06039	2.7
127.03899	3.8
129.05476	3.9
131.04924	6.5
135.04416	62.7
137.06000	3.6
139.03896	37.9
145.02841	10.7
149.05966	26.0
151.03914	19.6
152.10704	2.3
153.05505	9.9
157.04987	6.7
159.04480	3.0
163.03900	86.8
165.05486	60.6
167.07028	18.8
175.05983	2.7
177.05470	80.2
177.06981	4.3
181.04965	4.3
191.07092	2.8
195.06503	18.4
203.05533	6.5
209.08084	100.0
211.92007	2.1
215.06960	1.9
325.09058	7.6
347.10880	2.1
348.14307	2.6
351.10748	7.4
369.11798	48.0
383.13226	5.5
401.14398	8.1
580.23260	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	581.1503
Annotation	Leucoside
Peak:m/z	Relative Intensity
55.08881	0.1
57.03427	0.2
61.02896	0.3
67.01831	0.3
68.99800	0.2
69.03409	0.1
73.02552	0.1
73.02917	1.8
82.40599	0.1
85.02867	0.2
87.04422	0.1
89.03904	0.1
89.65017	0.1
97.02867	0.1
98.22701	0.2
101.17663	0.1
109.02827	0.1
115.03874	0.2
117.03369	0.1
126.01242	0.1
129.01848	0.1
133.04903	0.1
135.04428	0.9
137.02319	0.3
139.08839	0.1
153.01816	2.6
161.02328	0.3
171.02896	0.3
179.03447	0.2
240.03780	0.1
241.04950	0.2
269.04453	0.2
287.05484	100.0
288.05826	3.1
311.94189	0.1
324.10834	0.1
419.09802	0.2
449.10773	19.6
450.11130	0.6
499.66614	0.1
581.14978	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
55.01890	2.2
55.05504	11.1
57.07064	3.5
58.65942	1.9
60.10866	1.8
67.05510	7.3
69.03435	5.9
69.07073	10.4
69.50217	8.8
71.04996	18.5
79.05493	24.1
81.07057	87.0
83.08633	8.3
85.02911	28.6
91.05475	11.4
93.07043	33.9
95.08610	31.0
96.39385	1.9
97.02898	4.0
97.10197	2.5
98.22736	2.6
99.04440	2.0
99.08100	7.6
105.07029	32.3
107.08600	50.0
107.29894	2.1
109.02895	3.7
109.06513	3.2
109.10159	32.1
111.08060	2.8
111.11695	2.2
119.08583	56.1
120.04532	2.0
121.10169	8.1
123.11702	19.1
125.09647	8.5
127.03916	6.6
127.11211	23.9
133.10126	39.1
135.10628	4.7
135.11693	100.0
136.11980	2.7
137.13287	5.6
138.10071	2.1
139.11160	2.9
143.10674	27.4
145.05017	12.9
145.10210	2.8
147.11673	22.5
149.13200	10.0
151.11227	2.4
153.12665	2.3
157.12149	2.0
161.13278	15.6
163.03923	2.7
163.06049	6.4
163.14862	6.1
175.14809	3.0
177.16441	2.9
193.60220	1.8
194.78249	1.9
203.17967	71.0
205.19722	2.9
221.19006	73.3
239.19986	4.0
287.05499	8.1
325.11157	2.2
581.22137	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	581.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.05512	12.6
67.05495	19.2
69.03411	8.0
69.07066	10.8
70.06593	4.9
70.52328	6.7
71.04978	13.4
73.02927	3.7
73.28831	3.7
79.05503	29.2
81.03401	7.7
81.07056	100.0
83.04990	4.3
83.08602	5.4
85.02900	44.4
85.06518	4.7
86.09709	6.9
91.05491	16.8
93.07049	40.4
95.04958	5.7
95.08604	47.9
97.02890	12.1
97.06552	6.2
99.04487	4.3
99.08080	9.0
103.05519	4.7
105.07027	43.9
107.08589	58.5
109.10152	46.7
111.11736	3.2
113.09615	3.1
115.05399	3.6
117.07026	3.6
119.04933	4.5
119.08581	66.9
121.06484	3.4
121.10176	18.4
123.11718	18.6
125.09637	5.5
127.03940	12.7
127.11182	35.4
131.08624	2.9
133.02832	4.3
133.10124	35.2
135.11696	85.9
137.05966	20.6
137.13251	6.3
143.10689	25.8
145.04959	14.9
145.06442	3.0
147.04402	11.0
147.11693	31.7
149.05916	3.8
149.13242	11.8
151.03923	6.2
159.11725	5.9
161.13249	23.3
163.03885	12.0
163.06024	10.8
163.07520	3.2
163.14854	6.5
167.07083	16.5
173.13054	3.9
177.05443	8.0
181.05077	4.3
203.17952	76.0
204.18288	4.4
221.19000	77.2
227.16585	4.3
239.20100	4.6
273.06479	4.0
287.05511	66.4
407.02353	3.7
449.10730	13.9
581.22192	23.9
581.28546	4.2
581.36188	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.05512	12.6
67.05495	19.2
69.03411	8.0
69.07066	10.8
70.06593	4.9
70.52328	6.7
71.04978	13.4
73.02927	3.7
73.28831	3.7
79.05503	29.2
81.03401	7.7
81.07056	100.0
83.04990	4.3
83.08602	5.4
85.02900	44.4
85.06518	4.7
86.09709	6.9
91.05491	16.8
93.07049	40.4
95.04958	5.7
95.08604	47.9
97.02890	12.1
97.06552	6.2
99.04487	4.3
99.08080	9.0
103.05519	4.7
105.07027	43.9
107.08589	58.5
109.10152	46.7
111.11736	3.2
113.09615	3.1
115.05399	3.6
117.07026	3.6
119.04933	4.5
119.08581	66.9
121.06484	3.4
121.10176	18.4
123.11718	18.6
125.09637	5.5
127.03940	12.7
127.11182	35.4
131.08624	2.9
133.02832	4.3
133.10124	35.2
135.11696	85.9
137.05966	20.6
137.13251	6.3
143.10689	25.8
145.04959	14.9
145.06442	3.0
147.04402	11.0
147.11693	31.7
149.05916	3.8
149.13242	11.8
151.03923	6.2
159.11725	5.9
161.13249	23.3
163.03885	12.0
163.06024	10.8
163.07520	3.2
163.14854	6.5
167.07083	16.5
173.13054	3.9
177.05443	8.0
181.05077	4.3
203.17952	76.0
204.18288	4.4
221.19000	77.2
227.16585	4.3
239.20100	4.6
273.06479	4.0
287.05511	66.4
407.02353	3.7
449.10730	13.9
581.22192	23.9
581.28546	4.2
581.36188	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3814
Annotation	Hugonone A
Peak:m/z	Relative Intensity
66.59869	0.9
67.05507	2.4
67.07178	0.9
69.21412	5.6
79.05503	1.2
81.03407	1.1
81.07056	2.8
93.07043	1.3
95.04962	1.8
95.08646	1.1
105.07058	1.1
107.08626	1.5
121.10145	1.7
132.42990	1.0
144.01828	1.1
158.47250	1.1
209.84904	1.1
212.13472	1.2
230.98074	1.1
287.05508	2.0
305.17438	2.6
315.19330	2.2
335.26041	1.9
336.26263	1.4
449.10776	1.3
488.70612	1.0
511.30539	1.4
525.18323	1.2
563.37048	16.4
581.38135	100.0
582.38550	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	582.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
55.05500	2.8
67.05501	6.3
69.03423	1.9
69.07073	2.5
69.22709	4.8
69.23111	2.1
71.04987	1.7
79.05499	5.0
81.07056	6.1
83.04971	1.3
83.08617	1.3
85.02920	1.8
85.06535	1.3
86.09703	2.3
91.05490	4.7
93.07034	3.7
95.04967	3.8
95.08624	3.1
97.06530	2.3
105.07034	4.5
107.05073	1.4
107.08582	3.8
109.02853	1.8
109.10162	2.9
110.73360	1.4
115.05461	4.8
119.08557	1.4
121.10172	1.5
125.00064	1.3
127.03958	1.3
131.04898	2.0
133.10112	1.7
137.05981	3.7
141.06998	1.6
143.04932	7.3
145.10150	2.1
147.04401	1.5
151.03868	1.4
153.01860	8.2
153.06975	2.9
159.04367	1.2
161.05988	18.9
163.02684	1.1
163.03841	7.4
163.07674	1.3
163.11302	1.1
165.05562	1.9
167.07079	2.2
169.06511	2.8
171.14784	1.1
173.05949	7.4
175.03922	3.4
175.07503	1.5
177.05444	8.4
179.06926	1.1
181.05070	1.3
181.06491	4.9
183.04347	2.1
183.08000	2.1
184.07338	8.9
185.05972	2.7
187.07578	1.5
189.05461	49.5
191.03220	1.5
195.08014	1.3
197.05960	6.0
199.03906	1.3
199.07532	8.1
201.05409	8.6
201.09178	1.9
203.07010	2.5
211.07558	3.9
213.05467	4.1
213.09135	1.4
215.07053	5.4
217.04955	12.2
225.05511	4.8
225.09138	2.1
227.07062	3.8
239.06979	3.9
241.04984	1.7
243.06516	2.0
253.08559	1.7
271.06113	1.2
281.15402	3.6
288.05957	1.4
291.13760	3.4
309.14737	7.5
311.12863	1.7
313.14352	1.5
319.13074	2.5
327.15955	4.9
329.14011	1.5
337.14352	13.7
345.17072	1.3
353.37601	1.3
355.15387	100.0
356.15872	2.6
373.16354	8.4
385.12851	6.6
391.10376	1.2
410.29761	1.2
581.35852	2.4
582.23425	1.9
582.37054	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	582.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47868	1.1
53.03953	1.4
53.05411	1.0
53.54488	1.0
55.05508	4.8
67.01881	1.2
67.05495	8.1
69.03422	1.7
69.07059	1.8
78.67841	1.0
79.05493	5.4
81.03410	4.8
81.07052	8.8
83.04960	2.1
83.08620	3.3
85.02891	2.0
85.06553	3.2
86.09706	3.7
91.05479	7.5
92.70587	1.1
93.07036	4.5
95.04980	2.1
95.08617	4.7
97.06525	5.9
97.10184	1.5
103.32643	1.3
104.10751	3.5
105.07021	5.2
107.04953	2.3
107.08606	3.2
109.06477	1.2
109.10155	4.7
115.05463	1.5
119.08580	5.9
121.10124	2.7
123.11707	1.5
129.07004	2.3
131.04918	1.6
131.08600	2.4
133.06454	1.7
133.10153	3.6
135.04478	1.3
135.11729	1.8
137.05968	2.3
137.09671	1.9
141.06987	2.6
147.04417	4.0
147.11743	1.7
149.06068	1.1
149.09598	2.3
151.03923	1.9
151.11107	1.5
153.01826	19.7
153.07054	2.5
157.06448	1.7
157.10103	1.3
159.04446	3.0
161.02373	2.9
163.03934	5.0
165.05467	1.5
165.07014	2.4
167.07014	2.5
169.06548	2.1
171.02888	4.5
171.04349	2.7
173.02419	2.9
173.05936	2.9
175.03886	5.7
179.03413	3.1
181.06448	1.9
184.05765	1.6
184.07315	11.7
185.05977	4.4
187.03870	7.5
189.01833	5.5
189.05414	2.8
193.04976	2.4
197.05994	13.8
199.03893	39.6
201.05421	3.0
207.02878	9.4
209.06021	1.4
211.07457	2.1
213.05435	9.6
215.03358	1.8
215.07057	2.1
217.04942	10.5
223.07599	2.3
225.05458	23.7
225.08997	1.6
227.07057	4.6
237.05409	1.3
239.07034	10.8
251.07066	4.2
253.08664	5.1
253.21535	2.1
267.13980	2.3
271.06140	3.0
272.06400	3.0
273.12680	2.0
287.05383	1.5
288.05615	1.4
291.13687	3.3
293.14999	1.6
301.12210	5.1
309.14746	4.0
311.12735	2.1
319.13312	13.6
327.15845	2.3
337.14325	100.0
338.14624	3.9
355.15405	72.9
356.15631	1.9
373.16473	4.6
385.12775	18.6
516.80481	1.1
582.25818	5.4
582.34729	2.6
583.26813	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01863	2.0
55.05508	11.1
65.03925	1.7
67.05212	0.7
67.05502	7.9
69.03407	1.2
69.07053	3.5
69.76414	0.7
69.89056	1.5
69.89425	1.5
71.04988	0.9
75.50125	0.7
78.61375	0.7
78.64523	0.7
79.05482	6.7
81.03406	2.0
81.07052	7.5
83.04971	4.7
83.08612	3.1
91.05476	6.1
93.07040	5.3
95.04965	3.9
95.08611	5.1
97.02877	0.8
97.06526	2.0
97.10168	2.3
103.05477	1.0
105.07051	4.7
107.04953	5.4
107.08565	3.3
109.02869	1.1
109.10120	0.9
111.04436	1.8
111.08064	1.0
115.05465	2.2
117.07031	1.5
119.08559	1.7
119.23761	0.8
121.02916	0.9
121.06462	0.8
121.10083	1.7
122.02271	0.8
123.04367	2.0
123.08052	1.5
125.09605	1.2
126.11990	0.7
129.06985	2.8
131.04913	1.1
131.08565	2.4
132.64485	0.9
133.06488	1.3
133.10143	2.6
135.04422	1.4
135.11696	1.4
137.05940	2.3
139.03856	1.1
139.05418	1.0
141.06992	2.7
143.04971	1.3
145.06487	1.4
145.10133	2.5
147.04431	0.9
147.11688	1.5
149.09621	2.5
153.06978	3.1
155.04936	1.3
155.08524	2.1
157.06464	2.3
159.08002	0.9
161.05975	8.9
163.03880	8.7
163.11160	3.2
165.05466	4.1
165.06877	1.4
167.04897	0.9
167.07082	0.8
167.08545	1.1
169.06419	4.0
171.04395	0.9
171.08011	1.0
173.05965	65.9
173.09427	4.1
173.56143	0.7
174.06352	1.8
174.90315	0.9
175.03909	3.9
175.07520	2.7
177.05441	1.9
179.08582	1.6
181.06503	7.7
183.08099	1.4
184.07332	0.8
185.05978	4.8
186.06682	0.8
187.03816	1.0
187.07509	14.0
187.09041	1.3
189.05428	5.2
189.09056	0.9
191.03351	1.2
191.10637	4.0
193.06444	1.7
193.12195	1.3
195.06422	1.2
195.08055	3.7
197.05968	11.6
197.09673	0.8
198.06602	1.2
199.07513	12.9
201.05452	25.8
201.09042	1.2
203.07018	1.3
207.08119	2.0
209.05995	2.5
209.11763	0.9
210.06802	1.4
211.07533	10.0
213.05463	18.6
213.09015	8.4
215.07027	9.6
217.04942	60.0
218.05284	1.1
221.06047	0.9
221.09630	1.6
221.13231	1.3
223.07550	1.6
225.05473	11.4
225.09013	3.6
226.06097	3.6
227.07018	22.8
229.04956	14.1
229.08464	1.5
231.06386	1.0
235.07484	2.0
237.08983	1.5
239.07030	5.1
239.10631	2.1
241.04974	2.1
241.08623	1.9
243.06462	6.9
247.11179	1.2
249.12773	4.0
251.07100	1.0
253.08522	3.1
255.13783	1.1
257.08136	0.8
257.15216	1.7
263.14334	2.1
265.09323	1.1
265.12183	3.5
267.13760	11.5
271.16669	0.8
278.74063	0.7
281.15338	5.4
283.13327	2.6
285.14841	2.8
291.13779	5.4
293.11826	1.3
295.13254	3.9
299.16284	1.4
309.14789	8.7
311.12766	14.3
311.16254	1.6
313.14346	18.4
319.13324	2.9
327.15851	7.8
329.13806	100.0
330.14133	3.6
337.14313	32.3
338.14664	1.8
347.14633	1.5
355.15372	82.7
356.15668	3.6
373.16415	55.3
374.16644	2.6
391.17517	2.4
472.85873	0.9
485.17938	2.3
529.20538	1.2
547.21167	2.1
568.23438	0.8
582.36621	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	6.1
56.26639	5.6
61.59708	5.8
69.07050	6.6
69.38721	29.2
79.05492	8.3
81.07063	28.6
83.08611	10.0
84.89283	6.1
95.08638	6.2
97.10155	12.2
105.06979	7.7
107.08550	7.2
111.04384	7.5
119.08578	13.7
122.22875	5.8
125.09612	13.8
140.31793	6.0
145.10066	9.5
163.11177	7.7
189.11113	12.6
227.12878	6.3
249.45622	6.1
273.18530	23.6
291.19547	100.0
293.21490	6.6
309.20691	6.0
476.99347	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	583.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69182	0.9
53.03957	2.9
54.22913	0.9
55.01876	2.1
55.05511	2.5
59.04987	1.2
67.05502	4.3
69.03421	6.1
69.26646	4.5
71.01357	2.5
71.04985	2.5
77.03933	2.5
79.05501	14.2
80.94028	1.0
81.03403	7.3
81.07055	6.2
83.04976	2.1
85.02878	5.6
91.05476	6.1
93.07043	10.4
95.04963	80.8
95.08609	3.5
96.05303	1.3
97.02888	10.9
97.06555	2.9
103.05455	7.2
105.03383	1.6
105.04523	5.0
105.07030	3.8
107.04948	100.0
107.08599	2.2
109.02873	40.9
109.06522	2.9
109.10149	2.2
111.04462	1.3
117.07039	1.4
119.05007	1.1
119.08569	2.0
121.06493	13.1
121.10148	1.5
123.04421	15.8
123.11730	1.4
125.01440	1.6
125.02348	30.8
125.05994	4.2
127.03922	4.6
131.04926	4.6
131.08598	1.1
133.02869	4.5
133.06503	1.3
133.10103	2.0
135.04401	6.3
135.11691	2.1
137.05954	7.9
139.03903	5.2
144.29359	1.1
145.05103	1.3
147.04372	2.1
149.05980	21.9
151.03896	98.8
152.04305	1.3
153.01869	1.2
153.05479	9.2
159.04428	3.3
161.06024	1.5
163.03931	3.1
163.40109	1.2
165.05475	34.3
166.05823	1.2
167.07034	10.8
177.05469	38.9
178.05847	1.3
179.07010	1.1
181.05014	1.7
184.11041	1.0
187.07639	1.3
191.07080	1.2
195.06516	71.0
196.06889	1.2
199.07401	1.4
209.08073	14.8
213.07544	16.2
217.19565	1.3
227.07028	1.7
227.09116	12.6
241.21684	3.6
259.09695	2.7
271.22696	1.4
276.73019	1.0
295.08194	1.1
321.09973	1.2
339.10736	3.9
357.11646	5.8
421.05667	1.9
517.18335	1.1
579.50684	1.2
582.36615	1.2
583.22290	1.7
583.30396	3.1
583.38092	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	583.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01866	2.0
55.05499	2.7
62.64460	1.4
65.03941	1.8
65.31412	1.3
67.05500	5.7
69.03438	3.5
70.50628	3.2
71.05013	1.4
77.03928	3.0
78.04704	4.0
79.05489	12.4
79.68187	1.3
79.98148	1.4
81.03410	16.8
81.07045	5.7
81.95372	1.4
85.02902	2.2
86.09685	5.3
86.86339	1.4
91.05486	12.9
93.03353	1.3
93.07034	6.5
94.04183	5.4
95.04973	6.2
95.08627	4.6
97.06539	2.3
98.23424	1.8
103.05479	7.1
105.07030	15.5
107.04942	19.2
107.08570	2.7
109.02856	3.1
109.06493	2.2
109.10137	1.7
111.04414	2.5
115.05447	16.5
117.07018	14.9
118.49490	1.6
119.04880	1.7
119.08578	4.0
121.06535	2.1
121.10155	2.0
121.19459	1.4
122.03654	9.3
123.04440	4.3
124.05219	2.5
125.00019	2.3
125.02374	1.9
125.05975	1.8
127.03921	2.3
128.06221	1.7
128.86639	1.5
129.06990	3.7
131.04938	6.3
131.08563	3.4
133.02855	1.9
133.06500	10.8
133.10139	2.5
135.04420	2.4
137.05977	100.0
141.06973	2.7
143.04944	2.9
143.06044	1.6
144.05676	4.3
145.06476	20.6
147.04308	3.4
147.08020	3.9
149.06009	4.0
149.09662	1.7
151.03909	18.4
151.05017	2.8
151.07506	2.1
152.04675	3.3
153.01848	3.4
153.05496	5.2
155.06042	5.4
156.05676	2.8
157.06531	2.2
159.04433	3.3
159.08069	2.3
160.05219	2.2
161.05986	19.7
163.03893	8.3
163.07471	2.6
165.05533	2.7
165.06830	1.4
167.07037	90.4
173.02377	3.1
173.05981	18.5
175.07501	8.6
177.05476	5.1
179.07007	5.3
181.04982	13.3
181.06454	2.8
181.08571	2.9
184.07326	15.1
187.03891	2.7
187.07545	5.7
189.05446	2.8
190.06226	3.2
191.07013	7.3
192.07603	2.5
193.08638	11.5
195.06490	5.1
195.08119	2.1
196.05060	2.2
197.06042	1.7
198.06767	2.1
199.03949	2.7
199.07587	2.4
201.05486	1.6
203.06960	3.0
205.06667	2.4
205.08595	18.4
207.06471	13.3
207.07944	1.5
207.10161	3.8
209.06096	2.5
209.08017	2.6
211.07617	4.1
213.05502	5.6
213.09047	2.0
217.08633	10.3
219.06412	2.9
219.10144	5.5
221.07951	3.0
223.07675	1.8
223.09709	3.6
225.05501	1.7
226.06366	4.7
227.06868	2.1
229.08514	1.6
231.08040	2.6
233.08057	8.0
234.06696	1.9
235.07758	1.2
235.09673	27.6
236.04630	1.7
237.05316	2.5
237.11151	1.9
239.07022	2.1
240.07855	2.3
241.08580	7.7
245.09836	1.7
247.07495	2.6
251.07053	1.6
255.06456	2.7
257.08041	2.8
259.09686	1.9
263.06897	1.8
267.13745	3.5
268.07236	1.6
269.08142	7.2
271.06039	3.6
271.09427	1.9
275.07083	2.3
276.07785	2.0
277.08463	2.6
278.09027	1.7
283.09650	1.7
286.08557	1.8
289.10822	4.1
290.09570	1.7
291.06683	1.5
291.10114	2.5
292.07288	1.8
293.08362	1.6
293.11661	1.6
295.09692	3.7
297.07516	3.7
301.10941	7.1
305.08383	2.5
305.11743	1.8
306.08862	2.4
307.09546	5.0
309.07678	2.1
311.12735	3.9
311.16357	2.1
313.10849	2.3
314.07745	4.2
315.12091	1.7
319.09424	2.4
321.07632	1.6
321.11218	3.1
323.09100	3.5
327.12192	2.0
329.10123	14.3
329.13876	2.0
330.10727	1.9
331.11658	5.8
335.12741	1.6
337.10565	3.4
339.12354	2.5
349.10645	2.1
351.12216	4.2
353.13943	2.6
355.11746	2.6
355.15448	30.6
356.15698	8.8
363.12286	2.2
365.13898	2.4
367.11682	3.1
369.13248	4.6
371.14713	2.2
373.16492	3.1
379.11646	1.7
381.13235	5.5
383.14807	3.7
385.12814	4.1
386.12958	4.5
393.13199	2.7
395.14685	2.5
397.12888	2.5
399.14386	7.6
401.16232	2.3
411.14392	7.9
423.14172	2.7
429.15485	2.9
441.15369	6.6
459.16473	26.6
533.17651	2.4
535.19556	4.1
535.31238	1.8
547.19745	8.0
553.20862	11.4
565.20703	23.7
583.20062	29.8
583.28650	6.9
583.34888	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.7
53.03940	4.4
55.01866	4.9
55.05511	43.0
57.03424	3.8
57.07071	4.6
57.62686	1.3
60.74833	1.3
65.03937	4.3
67.05503	54.6
69.03422	3.6
69.07068	19.4
69.36591	7.7
71.04989	3.8
73.06551	1.3
77.03944	3.5
79.05040	3.2
79.05493	63.7
81.03417	4.1
81.06564	2.1
81.07057	71.9
83.04977	6.7
83.08611	19.8
85.06534	4.9
91.05481	93.9
91.91030	1.4
93.07044	62.1
95.04967	12.6
95.08609	32.2
97.02884	1.4
97.06522	4.6
97.10177	21.6
98.23397	2.9
99.00808	2.0
99.08119	2.0
103.05466	2.8
105.04503	3.5
105.07030	100.0
107.04942	7.9
107.08591	38.5
109.02868	4.4
109.06519	13.2
109.10148	17.5
111.04458	2.1
111.08061	4.2
115.05478	5.0
117.07017	29.9
119.08588	78.3
121.06501	5.0
121.10145	23.0
123.08070	4.2
123.11718	4.1
125.09633	15.1
128.06209	5.8
129.07013	22.5
130.07802	2.6
131.08572	36.3
133.06458	2.0
133.10127	68.0
135.04376	1.7
135.08044	9.0
135.11691	20.8
137.09627	4.1
141.07002	4.5
142.07768	4.7
143.08536	18.6
145.06476	5.1
145.10123	33.0
147.08038	4.3
147.11684	54.4
149.09637	4.5
149.13237	10.4
151.11182	2.6
153.09088	3.1
153.12817	1.8
155.08542	6.7
156.09323	2.9
157.10153	20.5
157.32199	1.5
159.08061	7.7
159.11696	25.8
161.09625	5.8
161.13264	29.9
163.07539	5.4
163.11169	6.4
163.14856	1.9
167.08531	3.8
169.10149	7.1
170.10915	2.2
171.08023	2.6
171.11684	17.0
173.09613	5.6
173.13246	15.2
175.11150	2.5
175.14818	10.3
177.12781	1.8
179.10788	1.8
181.10153	3.9
183.08067	1.9
183.11707	7.2
185.09729	2.0
185.13303	13.4
187.11194	2.6
187.14825	4.0
189.09256	2.2
189.11186	9.2
189.12674	2.9
189.16272	2.3
191.10753	2.5
193.10597	2.0
193.12209	11.9
195.11670	4.9
197.09650	1.9
197.11540	1.4
197.13283	5.9
199.14865	5.7
201.12843	2.6
201.16391	4.1
207.11894	1.8
209.13277	2.0
211.14847	2.0
213.12682	1.9
213.16345	3.0
221.13297	2.4
225.16412	2.0
227.12762	3.5
231.20990	7.5
237.16333	2.0
239.17953	2.3
241.19496	23.7
243.17409	2.6
249.12782	1.6
251.18097	1.5
257.19009	7.2
259.20587	79.5
261.18576	3.4
271.17010	3.4
273.18436	3.2
275.20142	9.2
277.21768	2.6
285.22141	2.3
289.17905	17.4
291.19534	4.5
307.19168	8.2
311.20078	3.3
329.21057	10.0
377.28146	1.7
395.29333	5.8
397.27228	1.8
413.30426	5.7
437.30585	1.5
455.31430	2.1
465.30063	1.6
529.36548	5.0
547.37830	11.0
565.39056	21.7
583.39996	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	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	14.8
57.07079	7.8
67.05505	18.5
67.47138	5.9
67.61480	5.6
69.07050	7.1
70.95975	9.5
79.05507	13.4
81.07057	18.3
91.05481	22.9
93.07049	26.9
95.08612	19.1
105.07029	31.5
107.08612	13.7
109.06543	8.7
109.10145	20.0
117.07027	11.5
119.08578	25.7
121.06544	7.8
121.10149	23.9
123.08086	18.2
129.06955	7.8
131.08583	11.6
133.10126	23.7
135.08075	8.3
135.11705	12.0
137.09613	23.1
143.08578	17.4
145.10141	24.8
147.08087	16.0
147.11714	8.0
151.07521	9.2
157.10182	18.0
163.11101	8.9
165.09140	35.2
171.11671	9.0
187.14891	7.8
196.71161	6.4
197.13116	8.0
203.14343	17.7
221.15367	100.0
237.94843	7.2
287.79907	6.6
360.61646	6.5
397.70636	7.3
472.33374	8.5
565.40796	10.4
583.41034	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	583.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58788	2.5
53.03957	5.9
55.01889	6.2
55.05510	28.0
57.07081	12.4
59.05008	4.3
65.03951	6.1
67.05507	44.5
69.03442	9.7
69.07063	23.8
69.20956	12.2
71.04977	4.5
79.05493	43.7
81.07054	53.5
81.07500	3.7
83.05005	9.9
83.08627	14.9
85.06561	8.3
91.05478	71.3
93.07043	68.5
93.07593	3.8
95.04977	23.3
95.08605	41.0
97.06528	10.9
97.10165	3.2
103.05478	4.2
105.04544	6.1
105.07032	100.0
107.04993	8.9
107.08598	57.2
109.06517	16.9
109.10165	26.8
111.08093	3.7
115.05504	7.9
116.06258	2.0
117.07013	20.2
119.05038	2.5
119.06044	2.4
119.08585	93.7
121.06545	6.1
121.10152	48.8
121.10992	3.6
123.08085	13.9
123.11749	7.6
125.05986	5.4
125.09663	5.2
126.26516	2.0
128.06183	12.3
129.07025	25.4
130.07828	8.0
131.08566	48.5
133.06638	4.4
133.07657	4.0
133.10138	50.4
135.08081	12.6
135.11668	18.9
137.09608	10.9
139.11237	3.2
141.06975	12.0
142.07787	26.6
143.08568	44.9
144.09349	9.0
145.06479	2.7
145.10133	59.8
145.11215	4.1
147.08018	18.3
147.11674	24.3
149.09625	14.2
149.13301	5.4
151.07533	12.1
151.11198	3.0
153.07004	4.6
153.09204	2.8
154.07817	5.9
155.08539	24.3
156.09329	19.8
157.10129	62.1
157.11368	3.3
158.10966	9.0
159.08105	5.2
159.11707	36.8
161.09697	7.2
161.13341	9.2
163.11247	8.8
165.07050	9.5
165.09109	23.2
166.07837	5.3
167.08583	16.5
167.10751	9.7
168.09283	10.9
169.10135	29.0
170.10966	8.6
171.11685	35.2
171.13016	2.9
172.12447	2.8
173.09703	6.9
173.13258	27.3
173.14578	2.6
175.11267	4.7
175.14897	8.7
177.09100	2.7
177.12733	2.6
179.08562	16.2
180.09387	6.4
181.10194	20.7
181.12297	6.2
182.10950	8.7
183.11678	29.9
184.12497	3.7
185.13254	21.3
187.11287	4.0
187.14937	7.3
189.12791	6.4
191.14394	7.4
192.09383	4.6
193.10130	14.9
194.10913	11.3
195.11696	26.4
196.12489	7.1
197.09584	2.9
197.13237	21.2
199.14822	13.6
201.12802	3.3
201.16335	2.8
203.14342	11.6
205.09966	3.5
206.11026	9.6
207.11769	23.2
207.13702	4.2
208.12334	10.2
209.13327	28.2
209.15234	3.4
211.14897	9.9
213.16507	3.9
215.14323	3.7
215.18213	2.7
217.10228	5.2
217.15851	11.9
218.10892	3.0
219.11763	10.1
220.12573	8.4
221.13307	18.9
221.15483	45.0
222.14023	3.5
223.13101	2.3
223.14841	11.9
225.16415	8.4
227.14517	3.3
230.10899	3.7
231.11777	6.4
232.12627	5.1
233.13339	11.9
233.15352	4.9
234.14069	4.3
235.14836	12.7
236.15646	2.8
237.16479	9.1
239.18130	6.7
243.11815	3.2
245.13309	6.1
246.14204	7.3
247.14758	12.6
248.15645	4.1
249.16504	8.9
250.17221	2.6
251.17984	6.4
255.17419	3.0
257.19147	7.2
259.14850	5.2
260.15750	4.8
261.16467	6.0
262.17062	2.5
263.18015	7.9
265.19666	5.2
269.19214	4.6
271.14890	3.4
273.18820	4.8
275.17941	7.0
275.20544	13.5
275.75800	2.4
277.19351	5.2
283.20551	15.8
287.20453	3.3
289.19574	3.5
291.19519	10.5
295.20554	3.8
297.16364	3.3
303.21106	3.0
303.55725	2.1
307.20499	2.8
315.21121	2.9
331.24478	6.4
349.25272	6.3
375.26965	5.0
403.30042	2.8
409.64432	2.3
491.35587	6.0
501.33530	7.7
503.35199	3.4
533.50586	2.7
547.39124	3.1
565.39520	14.1
583.41534	82.2
584.41821	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	584.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.3
59.87686	0.8
61.02921	1.1
64.52371	0.9
65.03934	0.9
69.03428	3.0
69.35055	4.9
72.29009	0.9
72.48623	0.9
73.02924	2.4
79.05493	3.2
81.03420	4.2
81.07047	2.6
85.02901	7.2
86.63960	1.0
91.05474	1.5
91.59109	0.9
95.04967	1.7
97.02922	1.7
103.05508	1.7
105.07005	1.5
107.04943	6.0
113.09412	1.0
115.05456	4.2
117.07004	7.8
121.06600	1.0
122.03603	5.0
123.04422	1.6
127.04002	1.2
131.04930	5.5
133.06512	2.0
135.04433	1.2
137.05969	100.0
139.31302	0.9
143.04948	1.9
145.05002	1.4
145.06474	11.3
147.04436	0.9
147.08044	1.4
149.05844	1.0
150.05511	1.3
151.03876	5.9
151.04942	1.1
153.01831	5.0
153.05464	2.3
154.02153	2.1
155.06041	1.5
156.05725	1.6
157.06451	1.1
160.05237	1.8
161.05984	3.8
163.03914	6.7
163.07561	2.3
164.04208	2.2
165.05458	30.2
165.06793	1.9
167.07030	27.0
168.07413	1.5
173.05980	10.9
175.03885	1.2
175.07541	6.0
179.03297	1.0
179.06944	1.2
180.08696	2.3
181.05026	4.4
183.06566	1.4
187.07556	2.7
190.06213	6.9
191.06902	4.3
193.08528	1.9
195.06567	3.1
202.06210	2.1
203.07077	2.7
205.08597	26.5
207.06456	1.7
207.10187	2.2
217.08583	8.3
219.08177	1.0
219.10149	1.2
221.08093	2.4
233.08093	5.5
235.09586	8.5
236.08290	1.3
241.08568	1.7
246.06952	1.1
247.07568	4.2
248.08296	1.3
249.09155	2.5
251.09129	2.1
263.09125	12.1
264.07895	3.4
271.30313	1.0
277.08600	1.9
279.10184	4.8
287.05408	4.8
288.05814	7.1
289.06799	9.1
290.07193	9.1
291.10342	1.4
292.07242	1.9
293.08051	2.5
295.09909	1.1
301.10742	5.1
307.09659	7.7
309.11264	2.0
337.10611	1.8
339.12222	16.0
341.13824	12.3
351.12097	6.4
369.13361	15.6
387.14392	7.2
405.15640	2.9
452.11649	2.2
584.19147	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	584.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09460	1.4
53.03942	3.5
55.01857	1.4
67.05502	4.8
69.03426	6.5
69.07075	2.2
71.43301	1.9
77.03938	1.5
79.05486	10.7
81.03415	4.2
81.07055	100.0
85.02890	2.8
91.05489	3.3
93.07060	3.3
95.04973	7.5
95.08608	17.4
97.02893	4.9
97.06496	1.3
105.07048	2.5
107.04962	5.0
109.02868	14.7
111.04449	1.5
115.05459	2.4
117.06988	6.9
121.02863	7.2
121.06457	3.9
123.04440	3.8
125.02365	3.0
127.03923	11.0
131.04950	3.2
133.06491	1.6
135.08029	2.2
137.13239	14.5
138.06355	1.3
139.03899	3.6
145.06488	13.8
149.02365	4.2
149.05998	3.5
151.03862	2.1
159.04442	2.4
163.07558	7.5
167.03394	4.2
173.05969	15.1
177.05492	2.4
191.07051	13.1
200.57204	1.3
201.05415	3.3
205.08595	2.1
205.34029	1.5
205.50661	1.3
219.06544	13.5
223.09648	1.9
233.08110	1.7
237.07578	19.9
251.09058	3.3
255.08633	3.8
269.10184	4.2
311.07693	1.8
327.08630	1.6
345.09756	3.3
363.10760	9.2
377.12338	4.2
381.11780	8.5
395.13412	5.4
413.14456	2.8
443.27670	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.5
56.05032	0.4
58.06367	0.2
58.06620	0.4
60.08162	6.1
67.05503	1.2
69.03405	0.3
69.07052	0.5
69.52641	0.5
71.04998	0.5
71.07011	0.3
71.07368	2.8
79.05481	0.9
81.03429	0.6
81.07051	1.5
82.67024	0.2
83.08620	0.3
85.02917	0.5
86.09701	29.4
87.04452	0.2
87.09985	0.3
91.05473	0.6
93.07047	1.0
94.07364	0.2
95.04939	0.5
95.08601	1.0
97.02888	0.3
97.06547	0.2
98.23380	0.4
98.98466	3.3
103.05482	0.3
104.10738	4.3
105.04506	0.3
105.07039	0.6
107.04964	0.5
107.08594	0.5
109.10151	0.7
115.05447	0.4
117.07024	0.2
121.10154	0.7
123.11704	0.3
124.99995	21.4
131.04974	0.2
133.02847	0.4
133.06467	0.3
135.08038	0.2
135.11673	0.4
137.05948	1.5
137.13252	0.2
138.06297	0.6
143.01073	0.4
144.08058	0.6
145.06459	0.4
148.00108	0.2
149.09666	0.2
149.13254	0.2
151.03862	0.3
151.72310	0.2
153.01877	0.3
163.03903	0.5
167.07027	1.8
168.07364	0.6
172.11281	0.2
173.05862	0.3
175.07553	0.3
176.14378	0.6
179.07030	0.2
181.04929	0.9
184.07329	100.0
185.07652	0.7
187.03963	0.2
189.09142	0.3
191.07004	0.4
202.15887	6.0
203.06966	0.3
205.08759	0.2
217.08617	0.4
217.98723	0.2
219.21008	0.6
220.16986	0.5
225.22241	0.2
235.09473	0.4
237.22156	0.3
255.23204	1.6
258.10956	0.2
263.09146	0.3
273.24194	0.6
300.13559	6.8
308.10300	0.3
329.10236	0.4
355.15451	0.3
356.15863	1.0
357.16272	0.3
374.17090	0.2
399.14313	0.3
412.20807	0.9
442.25336	0.2
448.24515	0.2
460.16779	0.4
460.53110	0.2
466.25702	2.7
516.30573	0.6
530.33093	0.2
534.32062	1.2
548.33368	0.4
552.32684	0.8
554.20782	0.2
566.21143	0.4
566.34894	0.9
584.20923	0.4
584.29431	0.6
584.35944	3.8
585.28888	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33479	0.2
55.01863	0.3
55.05508	0.5
56.05036	0.7
57.03432	0.3
58.06594	0.4
60.08165	5.9
65.03333	0.2
67.05508	1.1
69.03416	0.5
69.07066	0.4
71.04994	0.3
71.07375	3.2
79.05490	1.1
81.03416	0.8
81.07071	1.5
83.08611	0.3
85.02903	0.4
86.09709	28.4
91.05474	0.9
92.05833	0.3
93.07034	0.9
95.04974	0.5
95.08610	1.0
96.05318	0.3
97.02916	0.4
98.98480	3.1
101.30051	0.2
104.10745	5.9
105.07041	0.7
107.04980	0.6
109.02889	0.3
109.10175	0.6
119.08565	0.4
120.08052	0.2
121.10162	0.5
125.00006	20.0
125.09605	0.2
127.03979	0.2
133.10135	0.4
135.08076	0.3
137.05962	0.7
138.06384	0.3
139.03981	0.3
146.09628	1.0
146.50058	0.2
149.05981	0.3
151.03894	0.4
153.01849	0.3
153.05510	0.3
163.03915	0.7
164.04179	0.4
165.05507	0.4
167.07060	0.5
168.07324	0.2
173.02286	0.2
177.05424	0.3
184.07344	100.0
185.06223	0.2
185.07634	1.0
186.06445	0.2
187.03922	0.3
198.06657	0.2
200.34528	0.3
201.36597	0.2
202.15683	0.2
214.05745	0.3
219.21118	0.3
235.09572	0.3
244.07315	0.4
255.23149	0.5
258.11038	0.5
267.13715	0.3
268.13998	0.3
273.24277	0.5
300.13708	0.3
304.09512	0.6
312.12924	0.4
312.16562	0.3
338.14828	0.3
355.15439	1.3
356.15753	2.7
357.15988	0.5
386.13141	0.3
387.13412	0.4
412.21021	0.4
448.24298	0.3
466.25656	3.0
516.30792	0.4
534.31854	2.0
540.54547	0.2
548.33246	0.3
552.32941	0.6
566.21075	0.3
566.34753	1.3
584.27368	2.6
584.35376	4.5
585.28424	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.0
55.05514	9.6
56.60857	1.2
57.03437	4.4
57.07070	2.2
58.06618	1.6
60.08161	6.4
61.45677	1.5
64.00981	1.4
65.03929	1.4
67.05505	30.9
69.03426	15.0
69.07066	11.4
69.94449	1.4
70.08207	3.8
71.04991	9.3
71.07367	2.9
71.08615	2.0
71.65707	1.3
79.05492	13.9
81.03421	3.2
81.07053	45.7
83.04974	1.5
83.08607	8.2
85.02901	13.3
85.06038	1.3
85.06545	4.4
86.09700	32.4
87.04459	7.4
91.05482	5.6
93.07050	18.4
95.04961	3.9
95.08601	35.5
97.02893	12.1
97.06525	3.2
97.10181	6.6
98.22808	1.6
98.98486	3.4
101.06023	3.9
104.10735	5.5
105.07027	5.3
107.04942	3.9
107.08584	10.9
109.02888	2.0
109.10149	16.2
111.08099	1.6
111.11727	1.5
115.03945	10.5
115.07562	4.0
121.06475	2.2
121.10138	21.3
123.04462	2.3
123.11713	13.9
125.00001	20.8
127.03932	1.8
131.04953	2.1
133.04999	7.6
133.10127	1.8
135.11678	21.4
137.05977	9.4
137.13263	10.2
138.06273	2.0
139.03955	1.6
144.82889	1.6
145.06488	1.6
149.09601	1.8
149.13249	8.2
151.03905	3.8
160.44150	1.5
161.06024	2.9
163.03937	7.8
163.14836	4.7
167.07037	5.1
168.07286	2.5
173.06006	1.4
177.05447	1.9
177.16418	2.5
181.04962	3.3
184.07332	100.0
190.06133	1.7
193.19380	1.6
219.21092	23.6
237.22107	8.7
255.23203	55.5
273.24240	17.5
312.13135	1.6
312.16650	1.9
337.14111	2.5
355.15393	3.2
356.15787	6.2
357.15936	1.7
374.03540	1.6
399.62802	1.5
473.51746	1.4
584.27441	6.6
584.36304	7.9
585.28235	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	585.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
55.01869	11.2
55.05511	54.5
57.03434	4.5
57.07080	4.1
59.04996	1.8
59.76731	1.1
65.03950	3.4
67.05505	53.2
69.03431	5.1
69.07066	22.8
69.23613	5.3
71.04996	5.6
75.66711	0.9
77.03928	1.8
79.05494	62.5
81.03417	3.3
81.07056	87.2
83.04977	13.0
83.08626	29.2
85.02924	3.5
85.06543	4.1
91.05480	57.7
93.07045	47.2
95.04969	22.7
95.05529	1.7
95.08605	32.3
97.02873	1.2
97.06557	5.4
97.10170	41.3
98.23490	1.8
99.04466	1.4
99.08103	3.3
101.09672	1.2
103.05467	3.0
105.03405	2.0
105.04533	2.8
105.07031	63.7
107.04969	8.7
107.08595	37.2
107.09325	0.9
109.06525	11.8
109.10167	17.0
109.10887	1.3
111.04443	13.6
111.08086	10.1
113.09605	1.6
115.05483	2.9
116.06269	0.9
117.07013	26.3
117.07800	1.7
119.04967	0.9
119.08581	65.7
121.06515	9.2
121.10139	23.1
121.10980	1.5
122.10463	0.9
123.08085	13.5
123.11726	2.4
125.06006	1.1
125.09632	33.3
128.06238	2.8
129.07001	16.8
130.07829	2.7
131.07713	0.8
131.08565	32.2
133.06491	3.4
133.10127	35.3
135.08061	10.1
135.11703	17.6
137.09641	4.8
137.13249	1.0
139.11205	2.8
141.07016	2.6
142.07787	3.0
143.08559	13.4
143.10652	2.0
144.09320	1.3
145.06509	2.3
145.10117	32.1
145.11220	1.8
147.08038	12.3
147.11688	38.5
149.09599	9.9
149.13252	6.9
151.11177	1.8
153.07182	1.2
153.09135	11.0
153.12723	6.2
155.08574	4.8
155.10742	1.2
156.09361	1.2
157.10146	15.4
159.08095	2.4
159.11696	19.0
161.09616	8.4
161.13255	25.5
161.14519	1.7
163.07668	1.0
163.11180	14.8
163.14809	2.2
165.09140	6.1
167.08582	2.4
169.10129	4.2
171.08073	1.9
171.10181	3.5
171.11728	12.1
173.09605	6.1
173.13242	11.7
175.11238	2.9
175.14806	11.2
177.12823	1.4
177.16389	1.1
178.48610	0.9
179.08633	1.2
181.10551	1.4
181.12247	8.6
183.11719	4.8
185.13251	11.9
187.14798	4.5
189.11237	33.3
189.12794	3.3
189.16414	1.4
190.11433	1.0
191.10667	8.8
193.12270	2.3
195.11674	4.4
197.13322	4.5
199.11229	1.8
199.14764	7.3
201.12842	1.1
201.16437	1.2
203.14424	1.2
203.17908	1.1
205.12202	1.2
209.11783	3.7
209.13475	1.1
211.14899	2.1
213.12796	2.3
213.16426	4.1
215.18004	1.2
217.16014	1.0
217.69554	1.0
221.13432	1.0
223.13208	10.0
227.12752	8.1
227.17986	1.8
229.15700	1.4
231.17499	2.0
231.21089	6.0
233.15305	1.1
235.16965	1.7
237.16464	2.1
237.18460	1.1
239.17928	2.9
241.19516	20.8
242.19708	1.6
245.19106	3.8
249.14871	4.2
255.17453	3.9
257.19064	6.2
259.20584	53.9
263.20114	2.2
273.18497	29.3
275.17380	1.8
275.20093	18.4
277.21698	10.3
285.22192	1.3
289.18149	1.2
289.21561	1.4
291.19543	100.0
292.19894	3.3
293.21063	2.4
303.19754	1.0
309.20679	3.2
311.23853	1.1
313.21600	1.7
327.23254	1.6
331.26303	1.1
361.63794	0.9
377.28555	1.5
395.29440	3.9
407.29498	1.4
409.30560	1.1
411.28702	1.9
413.30502	6.8
423.32303	1.6
429.29953	1.9
439.31924	2.0
443.31592	1.8
457.32822	2.2
513.36731	2.1
531.38440	6.6
549.39539	9.4
560.96832	1.1
567.40387	17.0
568.40588	1.8
585.41974	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	586.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.8
61.02927	0.7
65.03937	1.8
69.03426	1.6
71.04961	0.4
79.05492	0.3
81.03405	0.9
81.06982	0.4
85.02902	7.0
85.13757	0.4
91.05481	100.0
92.05807	1.3
93.07013	0.7
95.04970	0.8
97.02894	2.0
107.04944	2.5
109.02876	5.1
121.06448	0.4
123.04466	0.4
125.02356	0.5
127.03143	0.3
127.03873	1.9
129.07045	0.5
131.04959	0.7
135.04471	0.4
137.02325	0.5
137.05060	0.4
137.05995	2.2
145.04968	3.2
149.02271	0.4
149.05946	0.6
151.03903	1.4
161.06035	0.5
163.06076	0.7
163.07556	0.3
165.05464	1.0
167.03436	0.5
167.07042	1.3
175.07475	0.4
177.05504	2.4
187.07542	0.8
191.07164	0.4
195.06548	1.2
200.60365	0.3
205.08539	0.3
209.08115	2.9
209.15344	0.8
213.07616	0.9
217.08559	2.2
245.08073	6.8
247.09673	0.5
257.60501	0.4
272.09137	0.4
311.09180	0.5
323.08911	0.6
341.14023	1.0
353.13895	0.9
371.10968	0.8
371.15005	1.0
389.11902	0.4
424.10065	0.8
533.26556	0.4
542.27808	0.8
586.15204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01867	1.0
55.05502	0.5
57.03423	2.6
61.02920	3.8
64.95030	0.4
65.03928	1.9
69.03068	0.5
69.03425	6.8
69.07073	0.6
70.06550	0.4
71.04985	1.2
72.97618	0.4
73.02918	1.5
77.87501	0.4
79.05481	0.6
81.03413	3.0
81.07053	1.5
85.02900	38.4
85.06561	0.5
86.09712	0.6
87.04471	0.8
91.03944	1.7
91.05476	100.0
92.05801	1.1
93.07031	0.9
95.04976	0.9
95.08616	1.0
97.02886	10.5
99.04469	2.0
105.07029	1.7
107.04948	1.0
107.08553	0.8
109.02865	4.6
109.06547	0.5
109.10170	0.8
119.04947	1.3
121.06527	0.8
126.14307	0.4
127.03905	9.9
131.04892	0.7
133.06503	0.4
135.04527	0.6
135.08089	0.4
137.02321	0.9
137.05981	6.6
138.06346	0.5
138.09132	0.5
145.04956	19.3
149.05991	0.6
150.39667	0.5
151.03841	0.7
151.07561	1.6
158.07106	0.4
163.03883	1.4
163.06015	6.1
163.07448	0.7
165.05443	0.8
167.03447	1.2
167.07080	0.8
175.07605	0.5
181.04991	1.0
181.08527	3.4
184.07320	2.0
189.09032	0.5
196.09622	0.6
227.12662	0.6
245.08054	5.3
249.11224	0.9
250.11510	0.7
287.05508	1.2
397.16510	0.7
424.10391	0.9
436.59488	0.5
459.59674	0.4
535.35089	0.5
586.29456	3.5
587.30042	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01867	0.6
55.05514	0.3
57.03424	0.7
61.02923	1.0
65.03936	2.0
69.03429	3.0
69.88274	0.4
71.04996	0.3
73.02908	0.4
77.22189	0.2
78.40861	0.2
79.05510	0.2
81.03403	1.1
83.04945	0.2
85.02903	11.6
87.04467	0.4
91.05478	100.0
92.05800	0.9
97.02892	10.0
99.04449	0.7
100.11253	0.3
103.05464	1.8
105.07041	0.5
107.04936	0.3
109.02898	1.1
115.03926	0.8
115.05508	0.3
117.03384	0.5
117.07011	0.7
127.03011	0.3
127.03909	2.6
128.06303	0.3
129.07010	0.5
131.04919	4.7
133.06514	0.8
135.04352	1.0
137.02306	0.3
137.05966	0.4
143.08627	0.4
145.02893	0.7
145.04955	4.6
145.06158	0.4
145.06570	0.3
152.72185	0.2
153.06905	0.3
157.06429	0.3
161.04517	0.4
161.06046	0.6
163.03903	7.3
163.06042	1.6
163.07552	2.7
163.11183	0.3
167.03398	1.3
169.08624	0.3
171.08110	0.5
173.30577	0.2
175.07581	0.2
176.41122	0.2
181.05026	0.5
209.08049	0.3
217.08607	1.0
227.07115	0.6
235.09706	0.3
245.08086	5.4
253.10866	0.3
278.26944	0.2
325.09229	0.8
397.16769	0.4
585.40027	1.7
585.90295	3.1
586.31830	0.3
586.40076	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01864	1.8
57.03426	0.8
65.03926	2.8
69.03429	1.0
70.06583	1.0
71.04964	0.7
73.01154	0.6
75.04474	4.4
76.61908	0.7
78.04707	2.3
79.05482	2.5
81.07050	0.8
82.25799	0.7
85.02905	3.2
86.09675	0.8
89.03896	1.3
89.06036	1.1
91.05479	13.6
91.91793	0.7
93.03400	12.6
93.07049	5.5
95.04957	5.7
95.08603	0.6
95.96953	0.8
97.02885	0.7
97.06509	2.1
103.05471	5.8
105.04491	1.6
105.07034	3.2
106.04175	27.8
107.04922	2.1
107.08533	0.7
109.06514	1.3
116.01678	2.3
117.03388	1.3
119.04939	2.9
121.06500	34.0
123.04412	1.5
123.08045	0.9
125.05992	9.3
131.04890	1.8
133.06456	2.0
134.03625	5.1
135.04437	1.2
135.08000	0.8
137.05972	7.3
138.06744	1.5
139.07520	2.6
145.02827	1.4
147.04442	3.2
148.05154	2.5
149.05971	52.2
150.06363	1.2
151.03889	0.7
151.07556	3.1
153.05453	2.3
153.09103	13.8
161.05968	3.5
162.02176	1.4
163.03865	2.0
163.07547	2.1
165.05513	1.4
167.07040	2.2
172.38341	0.7
175.07570	0.8
177.05458	24.8
178.05788	1.5
179.07045	2.8
181.04967	0.9
181.08592	19.4
191.07085	1.9
193.08601	2.9
209.08078	100.0
210.08403	1.6
217.08658	0.9
233.07870	1.1
257.17584	1.9
299.10187	1.3
339.12244	1.9
353.13660	1.0
357.13263	1.2
373.14258	0.9
390.12970	0.6
391.15369	0.8
466.81961	0.7
586.23834	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.2
57.03411	1.1
65.03931	3.9
69.03448	1.8
69.35321	3.0
69.35714	1.3
71.04986	1.0
75.04470	4.1
78.04715	3.2
79.05488	3.1
81.07018	1.4
85.02909	4.5
89.03936	1.7
90.97037	1.0
91.05481	13.5
91.43286	0.8
93.03401	12.6
93.07050	7.6
95.04956	7.1
97.06536	3.4
103.05470	15.1
105.04492	2.7
105.07024	2.4
106.03443	1.5
106.04167	30.4
107.04936	2.1
109.06515	1.6
116.02695	0.9
116.58618	1.0
117.03373	2.1
119.04943	3.5
121.06502	33.8
122.03615	1.3
123.04410	1.8
123.08073	1.4
125.05973	10.2
125.06646	0.8
127.03914	1.9
130.50429	1.0
131.04921	21.1
133.06511	1.6
134.03677	4.9
135.04416	1.9
135.08003	1.2
137.05986	23.0
138.06741	2.0
139.07523	1.5
139.88083	0.9
145.02832	1.7
145.04947	1.0
147.04405	3.7
148.05205	2.3
149.05978	51.8
151.07591	4.4
153.05460	2.4
153.09109	14.1
161.06023	5.0
163.03928	3.0
163.07538	29.9
165.05482	1.4
165.09171	2.1
166.06276	1.0
167.07054	2.0
175.07487	1.4
177.05469	25.0
179.07013	3.1
180.07904	1.1
181.08595	20.1
191.07005	1.7
193.08646	3.7
205.08675	2.5
209.08081	100.0
210.08472	0.9
219.09985	1.0
223.09691	1.8
283.09360	0.9
339.12299	3.2
355.15469	1.2
358.49811	1.1
373.16571	3.7
399.12701	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01866	3.7
69.03423	6.3
69.34325	8.0
71.04963	1.8
75.04460	1.6
77.03931	2.5
78.04719	2.2
79.05489	8.6
81.03430	3.3
81.07051	4.3
83.04983	2.4
85.02914	8.1
89.03904	4.4
90.25777	1.6
91.04957	1.9
91.05480	23.7
91.76479	1.7
93.03399	6.6
93.07047	6.4
95.04960	10.8
95.08604	2.4
97.02882	5.8
97.06570	2.3
98.23440	2.9
103.05461	14.2
105.03381	2.5
105.07005	12.6
106.04165	14.9
107.04952	16.8
107.08599	3.9
109.02852	5.9
109.06500	7.3
111.04409	2.0
117.03377	4.6
117.07017	2.2
119.04944	23.7
119.08541	3.4
121.06511	20.7
121.10157	4.2
123.04420	5.1
123.08049	3.0
125.05994	5.4
125.09610	1.6
127.03903	2.9
129.06985	2.1
131.04916	18.8
132.05701	2.2
133.06494	7.7
134.03609	4.1
135.04398	21.2
135.08006	3.5
137.05968	18.1
139.03900	5.5
139.07574	2.7
143.10652	1.8
145.02856	8.5
145.04964	4.5
145.06474	2.7
145.10054	2.0
147.04398	6.8
147.08090	3.5
149.05960	26.1
151.03900	2.4
151.07538	13.3
153.05408	2.3
153.09126	7.8
159.08076	5.7
160.05142	3.5
161.05972	27.8
162.06752	5.4
163.03888	87.7
163.07530	11.1
163.11205	2.3
164.04218	3.0
165.05498	15.6
167.07031	51.9
169.08531	1.8
173.05966	2.9
175.07523	15.7
177.05460	26.2
177.09087	1.9
179.07031	12.6
180.07834	2.3
181.04846	6.8
181.08568	15.7
182.04947	2.1
186.53081	1.8
187.07552	14.7
190.06277	2.6
191.07068	13.7
191.10703	2.1
192.07883	2.3
193.08638	12.5
195.06516	5.0
205.08591	32.1
209.08072	100.0
209.15305	2.3
210.08592	2.3
217.08601	8.1
219.10175	4.9
225.03690	2.6
227.09180	4.1
227.12794	4.0
227.16496	2.3
235.09598	14.1
237.18628	2.1
247.09657	3.3
249.11284	5.1
307.08112	4.0
309.11227	2.9
325.09158	5.0
341.13773	5.9
353.08392	6.2
353.13553	3.8
354.08664	8.8
357.15286	3.1
359.14813	4.3
371.14810	11.1
389.22781	1.7
423.12015	2.1
424.12582	3.1
586.18048	76.0
587.18494	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	586.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56262	0.2
56.05026	0.4
56.25199	0.2
58.06614	0.5
60.07869	0.4
60.08164	7.0
65.31027	0.2
67.05479	0.3
69.07040	0.2
69.24914	0.8
70.47623	0.3
71.07373	3.7
81.07053	0.3
83.08615	0.2
86.09702	33.3
87.10030	0.2
98.98466	3.2
104.10740	3.4
124.99998	21.1
135.08029	0.3
143.01067	0.3
144.44125	0.2
163.01559	0.2
177.12582	0.2
184.07333	100.0
185.07744	0.9
185.56902	0.2
263.19983	1.0
300.27695	0.2
317.80502	0.3
382.31577	0.2
538.96869	0.2
568.34076	1.1
586.35010	7.4
587.35236	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	9.9
55.05507	27.9
59.87149	4.3
67.05511	21.3
69.03439	3.5
69.07059	5.6
69.27077	22.0
73.71472	3.4
79.05483	28.0
81.03403	13.4
81.07055	53.7
83.04990	12.3
83.08610	16.5
86.09714	10.6
91.05479	13.4
93.07047	13.9
95.04961	20.6
95.08630	9.6
97.10178	24.3
98.22608	6.7
98.86697	3.6
105.07030	12.5
107.04986	5.6
107.08587	17.2
107.12582	4.4
109.06514	13.0
109.10200	7.1
111.04451	6.8
117.07010	7.7
119.05000	4.5
119.08647	23.7
121.06508	11.0
121.10149	4.4
123.08076	7.3
124.99989	7.6
125.09635	17.2
131.08582	9.3
133.10118	8.9
135.08035	11.3
135.11697	5.5
143.08600	6.5
145.10136	6.9
147.08037	9.4
149.06044	3.6
153.09108	7.6
159.11676	3.8
163.11172	13.5
165.09079	5.7
184.07329	28.7
189.11214	8.6
193.12236	27.3
219.13841	17.3
223.13374	4.6
263.12741	6.1
273.18478	22.5
291.19525	100.0
309.20493	5.7
339.38019	4.1
347.22211	38.4
354.96112	4.3
377.22839	4.6
465.29907	11.4
483.30798	12.6
501.31915	13.7
586.33984	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	587.2467
Annotation	Baccatin III
Peak:m/z	Relative Intensity
60.58472	0.5
60.69568	0.3
68.79347	0.3
69.03416	0.4
69.19675	0.9
69.20085	1.2
79.05498	0.3
88.35696	0.3
91.05530	0.5
97.06541	0.9
98.22604	0.7
99.87962	0.3
105.07034	0.6
107.04941	0.7
109.10183	0.4
135.04405	0.4
137.05981	0.5
163.03889	3.2
177.05556	0.4
211.14566	0.4
215.07140	0.9
221.74467	0.4
259.09732	1.6
287.05447	0.6
293.17334	1.1
332.24432	0.4
425.08630	0.6
517.19794	0.8
585.16992	0.4
587.24634	100.0
588.24994	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	587.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
64.82420	0.4
69.03433	0.4
69.07074	0.3
76.20297	0.4
79.05500	0.8
81.07042	0.7
85.02908	0.4
85.06539	0.7
86.09711	0.4
91.05462	1.5
93.07039	0.5
95.04977	1.1
97.06540	0.8
105.07029	0.6
107.04956	0.8
107.08585	0.8
109.02859	0.8
109.10164	0.4
119.04940	0.7
119.08575	0.4
120.08137	0.4
121.06541	0.5
127.03944	0.4
131.04951	1.0
135.04385	0.4
137.05971	3.4
137.49127	0.4
139.03957	0.4
141.05548	0.4
145.02934	0.4
147.04437	1.1
147.14249	0.4
149.05966	0.6
150.70636	0.4
151.03920	1.6
151.07622	0.6
161.05977	0.7
163.03876	3.2
163.07558	1.8
164.07957	0.4
165.05568	0.5
167.07010	0.8
175.07510	0.5
175.39987	0.4
177.05415	0.9
179.07024	1.2
241.10992	0.4
259.09711	1.3
293.17334	0.8
317.08231	0.7
349.05286	1.1
377.15759	0.4
427.09695	0.5
440.00299	0.6
489.04510	0.4
587.24640	100.0
588.25342	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	587.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	4.0
55.01870	5.7
55.05512	26.9
57.07097	2.9
65.03922	2.9
65.70336	2.8
67.05502	40.5
69.07050	14.1
69.11771	19.9
71.05700	2.6
71.08632	24.8
73.20252	2.5
74.10163	2.7
79.05498	37.9
81.03423	9.3
81.07059	52.0
82.52660	2.8
83.04993	8.7
83.08612	23.8
85.10180	7.0
91.05481	35.8
93.07036	53.3
95.04960	40.7
95.08617	28.7
97.06528	5.3
97.10149	9.8
98.22710	7.8
99.08080	10.3
105.07043	33.8
107.04963	16.8
107.05611	2.9
107.08611	30.6
109.06538	7.3
109.10154	12.7
111.08049	6.7
113.09635	9.1
117.07032	10.2
119.08574	18.5
121.06491	4.6
121.10147	31.4
123.08049	8.5
125.09626	5.4
129.06993	4.2
131.08531	14.6
133.10124	22.3
135.08067	3.9
135.11687	30.6
137.09561	4.6
143.08466	3.6
145.10124	17.0
147.11682	11.3
149.09610	24.2
149.13252	8.1
151.11194	8.7
159.11685	7.8
161.09612	3.7
161.13287	10.0
163.11172	20.3
165.12741	5.6
169.12355	3.0
173.13260	6.4
177.12743	5.0
179.14299	89.9
184.07344	3.6
187.11104	3.6
189.11205	9.1
205.12138	3.3
219.17526	3.8
223.13264	39.2
229.19467	4.2
247.20564	3.3
257.18954	10.5
275.20065	76.7
277.21622	100.0
293.21109	49.6
295.22797	22.8
321.10486	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	587.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20955	1.6
53.03944	4.0
55.01878	11.9
55.05514	56.8
57.03441	2.9
57.07081	7.0
59.05000	2.6
67.05154	3.6
67.05505	48.7
69.03428	3.4
69.07072	20.3
69.15965	5.1
69.16371	6.5
71.04971	4.3
71.08631	2.7
77.03939	1.6
79.05492	53.6
81.03426	6.0
81.07059	66.4
83.04993	10.3
83.08627	30.9
85.02906	3.4
85.06544	5.8
85.10201	2.4
85.18334	1.9
86.09717	1.9
91.05486	44.7
93.07049	44.9
93.07609	3.6
95.04967	40.2
95.08601	32.9
97.06551	6.6
97.10173	44.9
99.08098	2.4
103.05474	3.3
105.04533	3.8
105.07028	45.2
107.04974	7.2
107.08593	33.8
109.06526	15.5
109.10172	16.8
111.04460	10.8
111.08064	10.5
111.11731	1.7
113.09660	4.0
117.07021	17.2
117.24768	1.8
119.08581	42.7
121.06531	6.6
121.10136	21.2
123.08080	8.7
123.11716	5.4
125.09640	38.1
128.06195	2.9
129.07002	9.2
130.07851	2.6
131.08578	24.4
133.10127	30.8
135.08076	7.4
135.11691	14.8
137.09636	3.9
139.11185	3.2
142.07822	3.4
143.08554	10.9
145.10124	29.6
147.08037	4.6
147.11681	28.5
149.09612	11.7
149.13268	8.1
151.11142	4.3
153.09114	17.6
153.12750	5.0
155.08556	4.7
157.10150	11.2
159.11713	18.1
161.09647	2.9
161.13257	20.2
163.11215	18.5
163.14859	3.1
165.12785	7.7
167.10745	4.0
169.10143	6.8
171.10297	4.1
171.11717	11.6
173.09685	3.0
173.11868	2.0
173.13232	8.9
174.51959	1.9
175.11191	3.4
175.14835	10.1
177.12761	4.4
181.12238	5.2
183.11725	3.7
184.07372	6.6
185.13292	8.4
187.11197	3.6
187.14839	5.2
189.11232	32.9
189.12762	3.1
191.10674	5.5
193.12231	4.0
197.13232	5.2
199.14854	5.5
201.16426	2.7
205.12338	3.1
211.14896	2.1
213.16273	2.6
223.13199	19.5
227.12781	5.9
229.19745	1.9
231.17493	3.2
231.21022	3.0
241.19553	16.1
243.20988	2.8
247.17111	1.9
247.20406	2.7
257.19110	7.3
259.20581	37.3
261.18655	2.3
261.22229	5.4
273.18515	6.4
275.20071	34.4
277.21643	17.3
279.23334	2.5
285.22214	3.4
289.21548	2.7
291.19571	26.6
293.21100	100.0
294.21579	4.8
295.22772	3.3
381.31351	2.4
397.30960	6.6
415.32062	6.0
422.59833	2.1
432.92551	1.8
441.33569	2.7
515.38330	3.9
523.41400	2.4
533.39832	6.9
541.42493	2.2
551.40814	18.8
569.41913	28.0
587.44080	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	588.265
Annotation	Unknow
Peak:m/z	Relative Intensity
63.59696	2.2
63.61525	1.8
69.03423	3.8
75.77866	2.4
79.05497	6.8
85.02927	4.8
91.05486	9.4
97.02903	3.0
103.05478	25.4
105.07006	26.5
107.04964	3.5
117.57329	2.6
118.04179	6.4
119.04928	3.8
123.08023	3.3
127.03903	5.3
131.04927	38.0
133.06470	25.3
134.07211	2.6
135.04443	3.7
135.08034	5.1
137.05971	50.7
147.04381	6.9
149.06004	7.1
150.06772	15.6
151.07541	9.0
152.08298	5.0
161.06084	3.6
163.03908	5.9
163.07538	67.3
165.09100	20.9
167.07071	9.8
177.05408	3.5
179.07039	7.8
181.08612	3.3
193.08598	76.1
211.09631	100.0
213.11250	4.7
225.11179	3.0
239.95255	2.7
254.42633	2.6
262.09897	2.6
315.73706	2.9
341.13766	10.5
373.16437	5.5
375.18188	3.7
589.27649	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	588.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
56.05025	1.4
58.06341	0.3
58.06605	1.1
60.08163	14.7
66.89855	0.3
67.05486	0.7
69.07057	0.4
71.07381	5.7
79.05519	0.3
81.07047	0.6
86.09704	45.4
89.54227	0.3
93.07043	0.6
95.08631	0.4
98.98459	4.4
104.10740	75.7
105.06993	0.5
105.11077	0.4
107.08575	0.7
109.06549	0.3
112.82617	0.3
119.08597	0.4
121.10166	0.3
123.08054	0.7
124.99998	27.8
131.08621	0.4
133.10117	0.5
135.08064	0.9
163.01591	0.3
177.12866	0.4
179.14314	0.5
184.07336	100.0
185.07773	0.7
258.10989	0.9
259.48663	0.3
331.26129	0.7
432.79538	0.3
434.45642	0.3
570.35504	6.3
588.36572	30.6
589.37085	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04286	0.1
55.21195	0.1
56.05022	0.6
58.06613	0.5
58.68595	0.1
60.08161	6.1
62.09719	0.1
69.92539	0.4
71.07370	3.2
74.87579	0.1
81.07069	0.2
85.52692	0.2
86.09701	30.7
87.10032	0.2
98.22742	0.2
98.98466	2.9
104.10736	3.1
114.50349	0.1
123.45480	0.1
124.99998	22.5
133.10284	0.1
143.01056	0.2
163.76466	0.1
170.22807	0.1
179.14377	0.2
184.07330	100.0
185.07726	0.8
229.42131	0.2
243.84883	0.2
258.11017	0.3
279.96536	0.1
280.65121	0.2
419.38095	0.1
570.35699	0.8
588.36633	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	588.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.1
56.05042	0.6
58.06351	0.2
58.06625	0.4
59.07383	0.2
60.08163	5.9
67.05500	0.3
70.73202	0.2
71.07370	3.2
86.09703	30.6
87.10020	0.2
95.08646	0.1
98.98461	3.0
104.10743	3.2
109.10142	0.1
123.08087	0.2
124.99999	21.8
131.54559	0.1
135.08112	0.1
143.01045	0.2
146.43219	0.1
184.07335	100.0
185.07727	0.7
227.12845	0.2
258.11115	0.3
537.49408	0.1
570.35486	1.0
588.36578	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	588.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62907	0.2
51.63959	0.1
56.05034	0.7
58.06360	0.2
58.06618	0.4
60.07865	0.3
60.08164	5.6
61.06151	0.2
67.48644	0.2
69.87683	0.5
71.07373	3.1
81.07055	0.2
86.09707	27.2
87.10044	0.2
93.07056	0.2
98.23410	0.2
98.98460	2.7
104.10750	2.5
115.34590	0.2
125.00002	18.6
138.00774	0.2
139.59010	0.2
184.07339	100.0
185.07707	1.0
258.11063	0.3
307.44598	0.2
408.52295	0.2
570.35785	1.0
588.27850	0.2
588.36572	4.6
589.36945	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	588.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.2
56.05027	0.6
58.06613	0.5
60.07866	0.3
60.08163	5.7
67.05495	0.3
69.07082	0.2
69.66756	0.6
70.67509	0.1
71.07016	0.3
71.07371	2.8
71.75292	0.2
81.07046	0.4
86.09702	28.7
95.08607	0.3
98.23401	0.2
98.98466	2.7
104.10742	3.4
119.08565	0.2
124.99998	19.2
127.44302	0.2
150.06456	0.1
184.07333	100.0
185.07655	0.5
198.97513	0.2
258.11044	0.4
268.56625	0.2
317.14832	0.2
363.59509	0.2
570.35187	1.0
573.73706	0.2
588.36542	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	588.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17294	1.8
53.03954	2.7
55.01877	3.2
55.05513	20.5
65.25384	2.0
66.11358	2.2
67.05512	24.0
69.07069	12.7
71.23627	2.3
79.05495	24.5
81.03416	4.3
81.07063	30.0
83.04988	4.7
83.08623	15.3
91.05479	30.4
93.02622	2.3
93.07056	23.2
95.04971	31.6
95.08603	18.0
97.06544	6.0
97.10164	4.0
105.04543	2.4
105.07034	34.0
106.40284	2.4
107.04980	8.6
107.08595	20.0
109.06505	3.8
109.10183	11.5
111.08094	3.9
117.07035	13.2
119.08582	28.1
121.06516	4.9
121.10143	15.0
123.08141	3.6
125.09693	3.4
131.08568	15.9
131.36147	2.1
133.10135	22.3
135.08087	5.6
135.11722	6.4
137.09595	3.0
145.10133	19.1
147.11699	10.1
149.09650	21.8
149.13290	2.4
151.11169	4.6
155.08528	3.0
157.10188	2.4
159.11693	6.7
161.13243	5.0
163.11194	23.9
165.12822	3.3
169.10124	2.5
173.09637	2.5
173.13251	5.5
183.11795	3.9
185.13094	2.4
189.11360	3.7
205.12326	3.0
213.16556	2.8
222.99243	2.1
223.13342	17.0
229.19659	3.6
239.17958	9.0
257.19022	12.5
275.17053	5.3
275.20071	100.0
276.20416	4.8
277.21423	2.8
293.21152	31.1
436.82349	2.6
555.63525	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	589.226
Annotation	Unknow
Peak:m/z	Relative Intensity
67.81705	0.8
72.37591	0.8
79.43523	1.0
85.02934	2.2
98.97605	2.5
107.04937	1.0
127.03983	0.9
131.00188	1.1
143.00122	1.2
143.01933	1.1
149.01231	1.1
161.03180	0.9
182.84106	0.9
201.00854	1.4
219.01894	1.3
226.73003	0.8
243.14322	0.9
245.05254	1.9
256.03415	1.0
261.02975	2.3
348.46414	0.9
367.09274	1.1
529.14575	1.4
589.22595	100.0
590.22943	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	589.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08853	1.5
60.08162	2.8
71.07377	2.2
71.43383	1.3
74.29131	1.2
81.07051	2.1
86.09704	16.8
87.10052	2.4
98.98430	1.8
104.10760	3.6
105.07072	1.7
121.98405	1.4
125.00015	11.7
125.25040	1.4
138.02951	1.6
168.26616	1.4
184.07344	54.7
185.07649	8.5
290.60242	1.4
323.07742	2.2
325.08783	1.5
353.08365	15.8
355.09891	17.1
381.07965	17.0
383.09409	15.4
404.94983	1.4
411.48550	1.5
451.12125	100.0
452.12613	3.9
453.13675	28.2
453.19620	2.4
519.22174	2.9
557.23798	1.6
589.26172	91.7
590.26202	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	589.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.2
53.03926	0.4
55.05482	1.0
56.68895	0.2
62.60417	0.2
63.02352	0.5
67.05479	1.0
68.20468	0.2
69.03408	1.2
69.07046	1.1
69.07404	0.3
69.25645	0.7
69.26049	0.7
71.04982	0.4
72.13285	0.3
79.05498	1.8
81.03412	2.0
81.07056	1.2
83.04940	0.8
83.08595	0.4
85.02875	1.2
89.03465	0.3
89.03917	4.3
91.05500	1.4
93.07036	1.6
95.04966	3.0
95.08582	1.2
97.02875	0.3
97.06489	0.2
98.23474	0.5
99.04407	0.3
103.05423	0.3
105.07027	1.3
107.04966	1.5
107.08607	1.6
109.02866	1.1
109.06518	1.3
109.10130	1.0
111.04452	0.3
111.08088	0.4
117.03383	6.0
117.05217	0.3
117.06986	0.6
119.04932	0.4
119.08549	1.1
121.06517	0.6
121.10123	1.1
123.08072	0.5
123.11681	0.6
127.03838	0.3
131.08542	0.8
133.10124	0.8
135.04414	12.3
135.08035	1.7
135.11679	1.0
141.09018	0.2
143.08562	0.4
144.44493	0.3
145.02846	9.4
145.10146	1.4
147.11685	1.0
148.04846	0.3
149.09599	0.8
151.03908	0.3
157.10152	0.4
159.07994	0.7
159.11620	0.5
161.09566	0.3
163.03899	100.0
163.11153	1.1
163.14879	0.3
164.04234	1.4
165.05537	0.5
165.09109	0.5
165.12755	3.0
171.11688	0.4
173.13258	0.3
177.09103	1.4
181.04922	1.9
184.07307	0.3
187.14752	0.4
189.12694	0.7
191.10632	0.6
202.05637	0.3
205.15823	1.6
206.15437	0.5
208.48325	0.3
229.15898	1.1
247.16925	6.4
255.09052	0.4
265.17972	3.8
287.05420	1.4
307.08047	3.0
321.22366	0.3
325.09195	5.3
335.09454	0.9
465.03369	0.3
491.19324	0.3
589.32007	31.1
590.32513	0.5
603.73462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.2
56.05031	0.7
57.07096	0.1
58.06609	0.4
60.08165	5.9
67.05508	0.3
69.07071	0.1
69.55515	0.6
70.06604	0.1
71.07018	0.3
71.07378	3.5
79.05465	0.2
81.07057	0.3
86.09705	29.1
87.10013	0.2
95.03709	0.1
95.08606	0.3
98.98462	3.2
100.65472	0.1
104.10744	2.9
105.07067	0.2
119.11327	0.1
123.08086	0.3
125.00002	21.6
131.86856	0.1
143.01105	0.1
152.99734	0.1
157.20020	0.1
179.14270	0.3
184.07338	100.0
185.07654	1.0
186.07681	0.2
200.77380	0.1
257.14398	0.2
258.11053	0.2
264.02890	0.1
292.07031	0.2
341.72787	0.2
347.77829	0.2
490.54407	0.1
572.37170	0.9
590.38104	3.9
591.31812	0.3
613.02875	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	591.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43189	0.4
67.75155	0.4
69.03410	0.5
70.43473	0.4
71.44787	0.5
79.05486	0.6
81.03438	0.6
83.01093	1.0
84.59380	0.4
85.02928	0.6
86.06075	1.0
91.05477	0.8
93.07023	2.3
94.07378	0.6
95.01099	1.5
95.04978	0.7
96.01852	0.7
97.02842	0.6
100.75156	0.4
106.04178	0.5
107.04937	0.7
107.08626	0.5
112.01353	0.6
113.02142	1.8
121.06532	0.6
121.10168	1.9
122.10442	0.8
123.04457	0.5
124.03936	0.6
126.02884	0.8
131.04948	0.6
135.04463	0.4
137.05995	1.4
147.04436	0.5
149.05977	1.8
152.07007	0.5
157.04762	0.8
161.06009	0.5
163.03946	1.5
163.07648	0.7
167.07019	2.8
167.10681	1.1
177.05515	1.0
185.04195	3.4
193.95639	0.5
201.03680	4.4
202.06044	0.6
203.05241	3.5
203.06828	0.6
209.08058	1.1
217.04811	1.6
227.09151	1.8
228.09537	0.9
232.07059	13.0
233.07835	3.8
294.13812	0.4
298.07553	0.7
381.13177	4.7
411.14331	0.7
489.26172	0.4
493.97205	0.4
495.01587	0.4
573.20935	0.7
591.20416	100.0
591.28448	3.8
592.20862	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	591.205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06324	0.3
56.35526	0.3
69.30711	0.6
69.31117	1.1
75.98850	0.3
83.01114	0.7
84.01875	0.9
85.02917	0.5
85.74818	0.3
95.01096	3.0
95.04932	0.4
96.01888	1.1
97.02706	0.3
107.04950	0.6
109.02832	0.3
112.01360	1.2
113.02126	3.9
126.02913	0.6
131.04964	0.7
132.08133	0.3
135.04413	0.4
137.05984	2.1
141.01587	0.4
141.05290	0.6
151.03850	0.4
155.06209	0.3
157.04695	0.9
163.03897	4.2
163.07518	0.4
167.03191	0.6
176.33321	0.3
185.04230	5.6
185.05783	0.8
201.03687	1.1
203.05315	1.4
217.04814	1.5
232.07057	12.9
259.09720	0.5
260.09973	0.4
262.25018	0.4
277.06729	0.3
298.07474	0.6
351.10422	0.4
365.12033	1.4
381.07111	0.4
381.11496	1.7
407.13208	0.7
505.54083	0.4
561.19604	0.5
571.65375	0.4
591.20428	100.0
592.20618	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	591.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05493	0.9
80.42829	0.8
89.81168	0.9
91.05497	1.1
93.07123	0.8
98.02691	0.8
130.54301	0.9
135.45406	1.1
147.04430	1.6
167.02032	0.9
196.14484	1.0
244.74866	1.0
322.10504	1.0
414.61722	1.2
541.31262	9.0
573.33783	1.6
580.05341	1.0
591.35138	100.0
592.35583	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	592.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61146	0.7
57.03425	0.8
58.99588	1.5
60.76764	0.6
66.60220	0.8
67.05499	0.9
69.03429	1.8
73.02919	1.0
78.20935	0.7
79.05493	1.9
81.03407	1.2
81.07025	0.7
85.01122	1.5
85.02892	3.0
86.00173	1.4
86.00650	13.3
86.81306	0.7
90.13586	0.7
91.05460	1.3
93.07058	1.6
95.01153	0.7
95.04961	3.1
96.04469	2.2
97.02876	3.5
97.06519	0.8
98.03160	0.8
100.02225	0.9
101.48353	0.7
102.03741	1.9
103.05486	0.7
105.00092	1.2
106.06569	1.2
107.04939	2.4
109.02886	0.7
112.01361	0.8
113.02149	1.5
121.06497	1.3
123.04427	1.5
123.09968	0.7
124.03951	64.8
125.04310	0.8
127.03928	0.8
132.01138	6.3
135.04401	1.8
137.05934	2.0
137.35811	0.8
140.03441	1.9
149.05008	0.8
149.05968	3.7
151.03969	3.5
153.05446	3.6
163.03931	3.6
164.04198	0.8
165.09178	1.0
177.05533	1.0
181.03214	0.9
182.02710	17.6
184.04240	2.6
185.04242	1.3
195.06526	1.7
206.06319	1.2
210.05934	1.3
224.07361	3.3
228.03252	31.7
230.04802	1.3
234.06055	1.8
234.08682	3.3
252.06892	33.2
280.06387	3.1
298.07431	100.0
299.07755	3.0
460.12662	8.5
468.99710	0.8
592.20795	3.3
593.22070	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	592.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	9.2
55.05497	37.9
56.15865	7.5
60.48075	6.6
67.05504	27.3
69.07065	22.7
73.29352	7.5
79.05496	56.7
81.07055	65.9
83.04986	17.9
83.08626	22.8
84.21561	7.6
91.05494	70.7
93.07033	42.8
95.04993	16.7
95.08633	25.2
97.10182	27.1
105.07044	35.2
107.08617	27.0
109.10136	13.3
111.04440	12.4
117.07014	23.0
119.08570	40.9
121.06510	15.7
121.10143	13.8
123.08109	8.7
125.09634	17.7
129.07005	12.7
130.18010	7.6
131.08594	23.6
133.10143	45.7
135.08044	9.6
135.11647	12.3
143.08617	17.8
145.10164	25.7
147.08119	14.1
147.11687	26.3
153.09093	11.0
157.10149	26.2
163.11209	11.2
171.11722	14.7
185.81181	7.0
189.11234	21.9
213.16411	24.3
223.13264	9.8
231.17343	47.3
243.29256	8.3
273.18613	16.2
291.19534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	8.0
53.16561	5.1
55.01859	9.7
55.05513	48.6
60.78106	5.3
67.05496	57.3
69.07069	36.3
69.25526	27.5
69.46445	5.0
71.04978	6.5
73.38174	4.8
74.42138	5.0
78.71967	6.1
78.93056	6.3
79.05492	79.1
81.03412	22.3
81.07054	55.9
83.04963	17.1
83.08624	29.9
90.25522	6.2
91.05477	69.0
93.07037	89.8
95.04966	56.7
95.08600	36.3
97.06532	16.2
98.23520	9.3
105.04514	6.6
105.07035	73.0
107.04964	24.9
107.08585	48.5
109.06511	10.3
109.10144	15.5
111.08087	8.3
117.07008	36.2
118.09377	5.2
119.08580	58.8
121.06480	10.3
121.10136	29.1
129.07031	13.9
131.08588	37.5
133.10138	44.2
135.08061	40.1
135.11688	14.9
137.09592	12.3
141.06937	6.8
143.08569	13.7
145.10117	41.6
147.08028	7.5
147.11699	22.6
149.09613	75.4
149.13258	7.0
151.11166	12.0
155.08531	9.7
157.10103	13.5
159.11697	16.5
161.13229	10.5
163.11154	36.3
165.09149	6.7
169.10228	13.4
171.11697	12.6
173.09660	11.7
173.13156	12.0
175.11203	7.5
177.09146	7.1
183.11655	9.0
185.13232	8.4
187.11166	12.4
187.14793	10.9
189.11209	7.8
189.12733	7.7
195.10184	22.7
195.13725	8.0
199.14787	7.5
201.16399	16.7
211.14787	15.5
223.13300	19.3
229.15912	33.1
239.18021	9.0
245.20502	5.9
247.16913	87.4
257.18982	12.1
259.20575	13.3
265.17972	65.7
269.73611	5.4
275.20068	100.0
281.17514	17.6
293.21106	40.2
315.23349	5.4
321.67316	6.8
333.24268	9.1
411.83740	5.8
498.52045	6.2
539.36615	13.8
589.43311	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	593.2759
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
67.05471	0.1
69.30326	0.6
80.55766	0.1
81.06989	0.2
91.79967	0.1
92.10946	0.1
92.38342	0.1
95.08556	0.1
109.10065	0.1
150.16907	0.1
209.10667	0.3
211.12216	0.1
219.09038	0.1
221.10779	0.1
221.96210	0.1
223.12148	0.2
236.13008	0.1
237.13802	0.2
287.13797	0.1
300.14932	0.2
310.13312	0.2
312.15167	0.2
314.27722	0.2
322.13541	0.1
323.13986	0.2
326.16400	0.2
338.16345	0.2
354.19464	0.1
374.15561	0.2
387.15839	0.3
388.16873	0.4
389.17444	1.0
390.18427	0.3
391.18951	0.3
401.17719	0.5
402.18359	0.9
403.14169	0.2
403.19208	3.4
404.19962	1.2
405.15961	0.2
405.20749	2.3
406.21347	0.4
415.19510	0.3
416.15979	0.5
416.20834	0.8
417.16641	1.5
417.21548	3.8
418.21817	2.2
419.17172	0.2
419.22375	4.7
420.22903	0.5
421.24161	0.2
429.20963	0.5
430.17078	1.0
430.22687	0.2
431.18213	9.4
432.18588	2.6
432.23703	0.5
433.24185	6.3
434.24896	1.5
440.20135	0.1
443.18243	0.2
444.18463	0.5
444.24316	0.2
445.19897	11.2
446.20728	6.0
447.21652	5.9
448.22845	0.3
449.23434	0.4
458.21100	0.2
458.38409	0.1
459.21512	4.0
460.22556	10.1
461.23245	8.5
462.19565	0.2
462.24963	0.6
463.21060	0.4
464.15735	0.1
464.22131	0.2
473.23999	2.0
474.24234	0.6
476.26804	0.7
477.22006	0.8
478.24130	0.2
486.20047	0.2
487.25250	1.0
488.22107	0.2
489.18573	0.2
489.26483	0.2
491.25305	0.8
492.25348	1.2
493.26248	0.2
503.23743	0.2
504.21429	0.3
505.21918	5.4
506.22742	0.4
515.24274	0.2
518.23224	0.5
519.23962	1.0
520.24103	0.1
521.21741	0.3
533.25458	24.1
534.25861	1.9
547.27332	0.3
550.25623	0.1
561.25110	0.5
563.22668	0.2
564.23419	0.7
565.28479	0.6
575.26483	0.4
578.25897	0.2
593.27533	100.0
594.27850	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	593.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07013	0.2
64.98318	0.2
72.42259	0.2
126.78593	0.2
334.06104	0.2
387.15857	0.3
388.16333	0.3
389.17480	0.7
401.17914	0.3
402.18158	0.6
403.19016	2.1
404.19867	0.6
405.20651	0.9
416.20297	0.3
417.16016	0.4
417.21194	2.4
418.21558	1.0
419.22241	2.4
430.17383	0.3
431.18054	5.3
432.18539	1.5
432.24023	0.4
433.24164	5.2
434.24460	0.8
445.19843	6.1
446.20615	3.3
447.21518	3.1
448.22379	0.4
459.21579	2.6
460.22559	10.5
461.23273	10.0
462.23688	0.7
463.21219	0.3
473.23721	1.7
474.23969	0.5
476.26138	1.1
477.22580	0.3
477.26782	0.5
487.25064	0.9
488.25748	0.3
489.26645	0.4
491.24545	0.5
492.25043	1.3
493.26215	0.4
505.21930	4.1
515.24628	0.5
518.22980	0.5
519.23712	0.5
533.25446	36.7
534.25836	3.4
547.26959	0.6
548.93604	0.3
561.24982	0.4
564.23547	0.6
565.27802	0.8
575.26990	0.4
593.27527	100.0
594.27856	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	593.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21746	0.3
55.01871	0.5
55.05499	0.9
56.96286	0.5
56.96561	7.8
57.03429	1.2
67.05479	1.5
69.03423	0.4
69.07063	0.5
71.05011	0.3
71.83750	0.3
71.95264	0.4
73.71961	0.3
79.05491	2.9
81.03419	0.7
81.07059	3.3
83.04994	0.4
83.08569	0.4
91.05480	2.8
93.07051	2.7
95.04926	0.6
95.08582	1.9
97.02905	0.5
97.96814	0.8
98.97576	1.2
98.98478	1.0
105.07039	2.1
107.04984	0.6
107.08582	1.5
108.80131	0.4
109.02888	1.1
109.10145	0.5
110.97554	2.5
115.97806	0.4
116.98657	0.6
117.07017	1.1
119.08576	1.9
121.02864	0.7
121.06530	0.4
121.10149	1.1
123.04454	0.4
123.85190	0.4
127.03899	0.4
128.98596	3.2
131.08563	0.8
133.10114	1.7
135.11665	1.0
137.02783	0.5
143.00194	0.6
145.06487	1.0
145.10092	0.6
146.99696	1.1
147.11658	1.1
149.13234	0.5
157.01761	0.3
159.04442	0.5
159.11681	1.0
159.58334	0.3
161.01202	0.8
161.13255	1.0
163.02805	0.3
163.14883	0.3
167.03647	0.3
171.03307	1.1
171.11621	0.5
173.04771	0.7
173.06029	1.0
175.14894	0.5
181.03906	0.3
181.05322	0.7
183.03362	0.6
185.01323	0.4
185.04828	1.0
185.13275	0.6
189.04401	0.8
191.07188	0.6
193.01740	0.7
197.04842	1.1
199.06378	4.1
201.08049	1.0
203.05940	1.0
204.06685	0.7
205.07503	0.8
207.03148	0.5
211.02806	1.6
211.06337	2.0
213.08043	1.7
214.05145	1.2
215.05991	0.4
215.18123	0.4
217.07465	3.4
217.19537	0.6
219.06630	0.8
225.04344	1.7
225.07852	1.6
227.05856	0.4
229.07463	16.6
230.07768	0.5
231.08972	1.6
232.06145	0.4
235.06364	0.4
237.07811	1.7
239.05904	0.7
239.09505	1.1
241.19458	2.3
242.04823	0.4
243.08972	2.0
247.08524	8.9
249.08104	0.6
251.09523	2.4
252.09125	1.0
253.07423	0.4
253.11070	1.9
255.09039	4.1
257.06949	0.5
257.10504	0.4
259.12183	0.3
259.20590	1.6
265.11093	6.5
267.09061	0.6
268.09857	1.5
269.10587	4.3
271.05991	1.0
271.12158	0.5
273.09991	1.7
279.09012	1.1
280.09906	0.9
281.10455	0.9
283.12167	17.0
286.11005	0.6
287.11737	1.6
292.12341	0.5
293.10580	0.6
297.10028	0.5
301.13223	3.1
305.14136	0.4
306.13803	1.3
311.11584	1.7
313.14764	0.6
315.16153	1.8
329.12875	1.4
331.15814	6.8
333.17743	2.6
333.24203	11.8
334.24661	0.7
349.12637	0.5
349.16879	7.4
351.18393	1.4
358.87485	0.3
363.10669	0.4
363.14590	0.6
363.18491	1.1
367.17935	0.4
372.18359	0.8
381.19473	100.0
382.19904	3.5
399.20740	5.1
422.22183	3.5
593.32910	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.5
55.01876	5.1
57.03437	4.2
65.03943	6.6
67.05508	2.3
69.03435	27.4
69.64227	6.8
71.01345	2.3
71.04980	3.3
73.02906	3.3
75.00311	2.1
77.03916	2.6
79.05479	8.8
80.61395	1.9
81.03416	36.9
82.33512	1.9
83.01321	2.4
85.02902	14.5
91.05488	18.5
93.03406	7.5
93.07037	10.7
95.04965	51.0
97.02888	37.6
99.04448	11.6
103.05464	5.8
105.04489	2.6
105.07024	7.2
106.10093	1.7
107.04954	34.7
107.08581	2.9
108.04466	2.6
109.02872	95.4
109.06496	5.1
111.04436	7.5
115.05443	18.9
117.07011	55.3
119.04897	3.8
119.08547	3.0
121.02857	48.2
121.06506	19.4
123.04426	28.3
123.08053	3.2
125.02348	14.4
127.03029	2.9
127.03914	42.9
127.05371	3.4
129.07004	6.0
131.04929	15.0
133.06488	5.1
135.04378	3.1
135.08037	18.0
139.03897	19.5
145.04994	8.1
145.06477	92.3
147.04387	8.2
147.08029	5.6
149.02345	18.3
149.05978	21.1
151.03911	9.0
153.05460	8.8
155.04924	2.7
155.06044	9.6
157.06516	2.6
159.04449	12.5
159.65518	2.1
161.05956	5.2
163.03976	2.0
163.07535	41.6
165.05450	5.7
167.03372	19.0
167.07037	2.2
168.82346	1.8
173.05969	100.0
175.03853	10.6
175.07567	7.5
177.05469	12.7
180.66733	1.8
181.04930	4.5
182.80128	2.1
185.04451	6.5
189.05441	5.9
191.05266	3.9
191.07019	80.7
199.06033	6.2
201.05455	15.0
203.06934	2.0
205.08617	11.5
207.06575	2.1
209.08075	6.1
219.06508	82.7
220.06784	3.0
223.09659	8.9
233.08081	5.1
237.07559	77.1
245.32764	1.9
251.09132	11.8
255.08469	10.9
269.10236	7.9
271.74350	1.7
281.08072	2.0
291.08655	2.1
293.06534	6.8
293.09921	2.2
307.08258	3.3
311.07678	14.1
311.10931	2.9
317.09784	2.1
325.08966	3.4
327.08606	3.3
343.10114	4.6
345.09756	13.8
359.11050	2.4
363.10712	31.2
377.12177	21.5
381.11752	30.6
395.13373	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	594.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.6
53.03928	0.8
55.01869	1.6
55.05507	6.1
57.03436	0.7
57.07063	2.1
65.03927	1.2
65.53145	0.7
67.05505	8.0
69.03444	4.0
69.07065	1.5
69.29982	2.4
71.04980	2.7
72.24596	0.6
78.33106	0.6
79.05496	11.4
81.03419	2.3
81.07056	31.9
83.04973	2.9
83.08607	2.5
85.02889	3.9
85.06539	2.1
89.06088	0.9
89.29630	0.6
91.05482	7.5
93.07040	7.0
95.04963	8.0
95.08607	8.3
97.02865	2.0
97.06536	1.2
97.10155	1.8
98.06039	1.0
99.04445	1.8
99.08120	1.0
100.07621	0.8
100.11257	7.5
103.05448	1.0
105.04510	0.9
105.07036	14.0
107.04954	2.8
107.08599	5.3
109.02875	3.0
109.06522	15.8
109.10173	1.7
110.06047	0.7
111.04442	10.8
111.08074	10.0
113.06021	1.8
115.05427	1.8
117.07036	2.2
119.04925	1.9
119.08612	1.1
121.02962	0.6
121.06503	3.3
121.10165	1.7
122.07222	0.7
123.04440	2.3
123.08105	4.1
123.11703	17.6
125.06003	2.4
126.09157	0.7
127.03921	16.3
128.07072	0.9
131.04904	1.3
133.06488	17.1
133.10132	1.3
135.04401	1.7
135.08034	2.8
137.05998	1.7
137.09636	2.8
140.10715	0.9
141.05476	3.5
145.10048	0.7
147.04401	2.4
147.11600	0.9
149.06007	1.9
149.09557	0.8
151.03911	9.0
151.07526	10.0
151.11180	2.7
153.01764	1.1
153.05478	1.4
155.07013	1.2
156.13870	2.8
161.05948	4.7
163.03912	3.8
163.07515	0.9
165.05487	12.8
165.09131	7.1
167.07031	4.3
167.10635	0.8
168.10202	0.6
168.13828	1.5
169.12248	4.7
175.07544	0.9
179.07033	41.3
181.08551	0.6
182.15392	3.6
184.13342	2.6
184.17056	1.3
187.07652	0.7
187.13332	3.8
193.08601	11.8
197.08092	21.0
202.22458	0.6
209.16516	1.2
210.14909	3.8
211.09653	100.0
212.10010	1.8
228.15968	0.7
271.05997	11.1
272.06296	2.3
287.05466	15.7
295.15356	0.7
300.26300	0.7
319.19006	8.6
331.17584	1.3
337.10538	0.9
341.12366	1.1
347.14218	1.0
347.18533	17.4
365.19547	8.9
379.21152	17.6
397.21927	1.1
410.29828	1.0
411.33139	1.0
509.23215	0.8
576.44684	1.2
594.29797	0.9
594.45905	10.4
595.23511	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.2
63.21508	0.6
67.05499	1.5
69.07077	0.7
71.42988	0.5
79.05489	1.1
81.07045	1.8
88.07627	1.4
91.05489	1.8
93.07063	1.2
98.98471	4.2
101.04453	0.6
105.07017	1.1
117.07061	0.8
118.06532	0.9
119.07372	0.6
119.08600	0.7
125.00008	12.1
133.10120	0.8
134.09656	11.5
134.58900	0.6
144.08076	6.7
145.08887	3.3
160.11220	86.0
161.11557	1.8
178.12262	4.9
256.26437	1.0
258.08914	100.0
259.09198	1.7
259.16806	1.1
271.05560	0.6
275.20105	1.0
287.05453	0.8
576.45953	1.6
594.27551	0.6
594.35480	3.6
594.47028	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	595.1448
Annotation	Apigenin 7-(6''-E-Caffeoylglucoside)
Peak:m/z	Relative Intensity
53.03950	0.1
63.02381	0.1
65.03953	0.1
67.01863	0.6
68.99442	0.1
68.99767	0.5
69.03421	0.2
70.98023	0.1
79.05488	0.2
81.03425	0.7
82.05795	0.1
85.02897	0.2
89.03916	1.3
91.05488	0.3
95.04945	0.1
97.02886	0.1
107.04945	0.3
109.02871	0.3
111.00803	0.1
117.03383	1.3
119.04939	1.9
121.02860	1.1
122.99762	0.1
127.03887	0.1
129.01862	0.1
135.04411	2.6
140.32333	0.1
145.02841	3.3
153.01819	6.2
163.03894	21.3
164.04210	0.3
165.64485	0.1
167.07022	0.1
171.02917	0.8
181.04907	0.4
185.05936	0.1
187.03963	0.2
197.06024	0.1
203.07036	0.4
211.04095	0.1
225.05438	0.8
229.04939	0.4
243.06528	0.3
243.29312	0.1
247.06142	0.1
270.05310	0.1
271.05988	100.0
272.06326	2.8
307.08124	1.5
313.06927	0.1
325.09091	0.6
415.10562	0.1
433.11060	0.2
595.13989	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.145
Annotation	Kaempferol 3-(3''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
65.03924	0.3
67.01862	0.6
68.99785	0.6
69.03443	0.1
71.25204	0.2
72.51733	0.1
81.03417	1.0
82.00717	0.1
83.49426	0.1
89.03960	0.2
91.05477	1.5
107.04927	0.3
109.02856	0.3
117.03415	0.2
119.04950	4.3
127.03911	0.2
135.04393	1.4
137.02359	0.8
138.84071	0.1
147.04405	27.9
148.04745	0.5
153.01830	6.1
161.02385	0.8
163.03911	0.8
165.05481	0.8
171.02872	0.7
179.03447	0.4
219.06529	0.2
230.66933	0.2
241.04839	0.9
245.04506	0.4
245.39389	0.1
263.05270	0.2
269.04468	0.5
271.05991	4.1
272.06372	0.2
287.05490	100.0
288.05768	2.7
291.08591	1.7
309.09821	0.8
502.91141	0.2
568.75574	0.2
595.14130	0.3
595.24390	0.2
602.69940	0.1
623.24921	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	595.1455
Annotation	Apigenin 7-(6''-E-Caffeoylglucoside)
Peak:m/z	Relative Intensity
55.01849	0.2
55.05474	0.2
58.45973	0.1
65.03902	0.3
67.01855	0.8
67.05448	0.4
67.71902	0.1
68.41734	0.1
68.99782	0.8
69.03376	0.4
69.07035	0.2
70.71371	0.2
71.04940	0.2
72.08113	0.1
72.37228	0.1
79.05441	0.5
81.03420	0.6
81.07072	0.7
83.08575	0.2
85.02903	0.6
85.06503	0.3
86.92245	0.1
89.03905	0.8
91.05482	1.3
93.06976	0.4
95.04923	0.3
95.08552	0.5
97.02843	0.2
97.05235	0.1
97.06506	0.2
99.04417	0.1
103.75648	0.1
105.07001	0.3
107.04909	0.5
107.08527	0.4
109.02837	0.3
109.10092	0.4
111.04366	0.1
111.08035	0.2
115.05392	0.1
117.03397	0.8
119.04941	3.4
119.08559	0.2
120.08047	0.1
121.02863	0.8
121.06496	0.2
121.10112	0.2
123.04419	0.1
123.11684	0.2
127.03860	0.5
129.01747	0.2
131.04860	0.2
133.06406	0.2
133.10124	0.2
135.03482	0.2
135.04411	2.5
135.11658	0.2
137.02284	0.3
137.05908	0.2
145.01826	0.2
145.02840	2.0
147.04405	9.6
148.04704	0.1
149.05850	0.1
151.03809	0.3
151.07451	0.3
153.01826	7.3
154.02119	0.1
161.02301	0.5
161.06029	0.2
163.03903	11.2
165.05399	0.4
167.07019	0.8
171.02905	1.5
173.05902	0.2
175.07501	0.2
177.05421	0.3
179.03304	0.3
179.07077	0.3
181.04962	0.7
203.07036	0.3
209.07961	0.1
211.09610	0.7
225.05400	0.5
229.05005	0.2
241.04842	0.5
243.06499	0.3
247.06087	0.2
247.24289	0.2
269.04370	0.1
271.05994	100.0
272.06311	2.5
287.05490	56.7
288.05862	1.4
291.08563	0.4
301.07132	0.3
307.08142	0.5
309.09808	0.3
325.09042	0.2
416.14719	0.3
433.09454	0.1
590.07739	0.1
595.14447	0.3
595.22693	0.9
595.34656	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1657
Annotation	6-C-Glucopyranosyl-8-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
54.27242	1.8
55.01875	1.9
69.29703	8.8
70.55099	1.7
75.49728	1.8
81.03419	2.1
85.02918	6.0
95.04982	2.5
95.80502	1.5
98.85977	1.7
98.86618	1.6
103.03953	2.7
107.04978	2.2
119.04962	7.6
121.02859	39.9
145.02814	4.2
151.03914	2.3
163.03944	3.9
177.01848	2.7
177.05415	2.0
179.03526	3.1
187.03876	3.5
189.01791	10.2
189.05490	2.8
191.03389	3.7
195.02933	5.1
201.01791	3.1
203.03413	12.1
207.02859	9.0
215.03497	2.3
217.04974	4.0
219.02841	5.4
219.39262	1.7
221.04420	3.5
227.03522	2.2
229.04990	5.1
233.04463	3.3
243.02982	2.4
253.04919	2.0
255.02864	4.1
257.04575	2.5
267.06534	2.4
268.07281	5.4
273.03967	3.0
279.06601	5.6
280.07291	2.7
281.08057	7.5
283.05994	5.9
285.03995	4.0
291.06491	2.4
292.07684	1.9
293.07941	4.3
294.05212	23.2
294.08557	2.9
295.06018	83.6
295.09198	2.8
296.06689	12.0
297.07532	9.0
305.08002	2.3
307.05991	50.7
308.06754	21.2
309.07520	16.8
313.06924	2.7
317.08292	2.2
319.05991	5.1
319.09451	2.2
320.06729	5.2
321.07574	30.1
322.08490	15.3
323.09161	6.8
325.07047	97.0
326.07379	4.0
333.07700	9.3
335.05298	3.5
335.09003	16.9
336.06116	2.3
337.07010	55.5
338.07281	2.4
347.09149	9.5
349.07065	31.9
351.08548	23.6
353.06485	2.6
355.08084	18.2
361.07068	15.2
361.10767	3.6
363.08594	8.4
365.10284	9.7
367.08215	5.0
373.07190	6.6
374.07568	2.3
375.08829	11.9
379.08078	46.8
385.06815	5.2
387.08502	2.8
389.10223	4.1
391.08136	28.1
401.10260	3.5
403.08072	24.8
403.12939	2.8
409.09143	44.5
415.08023	4.1
421.09146	20.8
427.10187	43.3
433.09125	4.2
439.10266	26.9
445.10745	6.4
457.11307	100.0
458.11539	1.9
463.10257	4.4
475.12485	19.1
481.11325	29.8
493.10889	3.1
499.12469	22.7
505.11301	4.7
511.12421	29.1
523.12292	22.7
529.13428	12.9
541.13397	25.1
559.14459	25.8
560.14679	2.6
577.15277	13.9
594.24091	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	595.1658
Annotation	Rhamnocitrin 3-lathyroside
Peak:m/z	Relative Intensity
50.58796	0.1
53.29314	0.1
57.03415	0.2
61.02902	0.2
69.03392	0.2
69.22227	0.2
69.22614	0.3
73.02914	1.8
85.02899	0.3
88.39169	0.1
97.02859	0.2
115.03883	0.2
136.21777	0.1
149.06032	0.1
153.01785	0.5
163.03864	0.2
171.02873	0.1
191.61467	0.1
224.75711	0.1
229.05013	0.2
258.05237	6.3
259.05701	0.2
271.05960	1.2
286.04697	30.0
287.05145	1.2
301.07043	100.0
302.07382	3.0
357.92706	0.1
397.09235	0.1
433.11316	0.2
433.60959	0.1
463.12323	23.5
464.12695	0.9
595.17023	0.4
600.84003	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	595.1658
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
57.03433	0.6
63.67732	0.1
67.01841	0.3
68.99777	0.2
70.00241	0.2
70.00576	0.2
71.04992	3.5
71.23121	0.1
73.02898	0.2
75.04448	0.2
85.02903	4.5
87.04416	0.2
98.23376	0.2
107.04935	0.1
111.04403	0.2
116.64635	0.1
129.05457	1.1
133.08459	0.1
135.04419	0.9
137.02347	0.3
140.76968	0.1
147.06497	0.1
153.00629	0.2
153.01823	3.4
161.02299	0.5
171.02844	0.3
179.03362	0.2
194.93576	0.1
213.05672	0.1
219.06499	0.1
241.04904	0.4
269.04486	0.3
271.06012	0.8
287.05478	100.0
288.05780	2.4
431.97885	0.1
449.10760	17.7
450.11230	0.6
526.84131	0.1
547.98914	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	595.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03683	0.6
53.03941	0.7
55.01873	0.6
55.05511	6.7
57.03190	0.5
57.03444	7.7
57.07079	0.8
57.90705	0.5
65.03931	1.2
67.05503	28.0
69.03442	0.6
69.07069	6.3
69.79883	0.6
69.80236	1.8
71.04986	0.6
77.03913	0.6
79.05048	0.9
79.05492	15.0
79.05948	1.0
81.03413	3.5
81.07055	24.9
83.04984	0.8
83.08620	2.2
85.06537	0.9
85.84981	0.5
91.05479	8.1
93.07043	15.7
95.04945	1.8
95.08603	20.0
97.06538	0.8
97.10159	0.8
98.98470	9.0
105.04491	0.9
105.07026	3.8
107.08590	7.2
109.02886	2.8
109.06492	0.7
109.09489	0.8
109.10159	6.2
117.07020	1.4
119.08587	3.2
121.10146	5.5
123.11703	2.5
131.08578	2.4
133.10117	2.4
135.11702	3.3
137.13309	0.7
145.10114	1.7
147.11659	1.3
149.13232	1.5
155.01028	1.6
159.11696	1.3
161.13210	0.8
163.14812	0.6
173.02126	0.8
173.13220	0.9
187.14832	0.5
188.73044	0.4
243.21152	0.8
261.03754	3.5
261.22089	2.5
261.24588	0.5
271.06039	0.5
317.24796	0.9
335.07413	1.2
335.25784	100.0
336.25998	3.9
358.54044	0.6
451.75565	0.5
573.26440	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.01875	5.3
55.05514	2.2
56.74258	2.0
61.62708	2.0
64.40771	1.8
65.03942	7.9
67.05513	3.0
69.03433	6.5
69.07068	3.8
69.14111	4.2
69.14510	10.5
71.14819	2.0
79.05488	27.9
81.07049	4.6
83.04973	2.3
85.02908	7.1
85.06541	2.0
91.05476	26.2
93.03406	4.3
93.07053	10.8
95.04971	33.3
95.08604	2.7
95.33842	2.0
97.02907	6.3
103.05466	100.0
105.03374	2.1
105.04520	2.0
105.07034	8.9
107.04954	69.6
107.08622	6.5
109.02928	2.5
109.06528	6.3
111.04432	14.8
115.05472	8.3
117.07014	35.9
119.04951	5.5
119.08596	3.0
121.01975	2.5
121.02862	48.1
121.03828	3.0
121.04002	2.2
121.06505	18.1
123.04427	7.6
123.08046	2.9
125.02303	4.0
129.07036	5.2
131.04922	77.6
131.08632	2.5
133.06508	4.7
135.04454	3.7
135.08058	12.7
135.11664	3.0
139.03885	18.5
142.32837	2.0
145.06488	52.5
145.07582	4.3
147.04387	13.6
148.04730	4.0
149.02338	25.5
149.05972	51.2
151.03906	12.5
153.01804	2.3
153.05505	5.3
155.04915	2.6
155.06039	7.3
159.04442	8.3
161.05984	5.1
163.03920	4.3
163.07539	33.1
165.05473	4.0
167.03394	7.6
167.07068	18.6
167.08534	4.5
168.07350	5.1
173.05995	51.4
175.03947	5.8
175.07581	6.5
177.05492	11.0
177.06783	1.9
179.07095	4.3
179.08514	4.4
181.04988	18.1
181.06419	4.5
187.07585	3.6
191.05276	4.3
191.07030	84.3
195.08087	4.1
199.06070	7.7
201.05493	8.4
205.08684	3.9
209.08142	8.5
213.08943	2.5
219.06526	35.4
223.07532	4.3
223.09526	3.6
233.08090	4.2
237.07570	55.4
241.08578	5.2
251.06775	2.1
271.06018	9.1
272.06290	6.6
287.05533	10.1
288.05762	6.2
293.11652	2.1
297.07538	4.8
315.08716	9.3
321.11127	3.8
339.12256	36.6
347.11221	16.7
352.13083	2.2
357.13437	9.2
367.11786	24.8
385.12839	38.6
399.14420	6.4
511.31088	2.6
558.77295	2.1
585.44672	2.4
596.21942	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	596.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.2
55.01877	6.3
61.02926	3.8
65.03937	4.7
67.05524	4.0
69.03441	21.6
71.05000	5.5
71.58474	2.6
79.05486	20.4
81.03422	31.1
85.02905	20.1
85.06554	13.0
87.04499	3.3
87.98576	2.6
91.05482	35.7
93.07037	22.2
95.04977	16.9
97.02895	24.9
97.06485	3.7
99.04465	5.0
99.58974	2.9
103.03960	3.9
103.05466	27.2
105.03384	2.5
105.07032	34.3
107.04950	16.7
107.08598	3.8
109.02886	32.6
109.06539	3.7
111.04456	5.2
115.05449	14.6
117.07027	50.6
119.04980	4.0
119.08551	3.3
121.02872	7.9
121.06504	45.8
127.03905	17.0
128.06242	10.8
129.07019	16.8
131.04944	12.9
131.08607	5.0
133.06487	16.6
135.04414	4.8
135.08049	100.0
139.03935	9.5
143.08528	3.4
145.04948	2.7
145.05234	3.5
145.06487	51.7
147.04428	4.7
147.08066	4.3
149.02339	4.2
149.05975	33.0
151.03914	4.6
153.05505	8.3
155.04924	9.2
155.06096	7.7
157.06502	6.4
159.04422	38.3
159.08099	12.0
161.05997	6.3
163.03967	10.8
163.07512	18.5
165.05484	22.0
165.06729	3.7
167.07092	9.0
171.07948	3.0
173.05965	62.2
174.73804	3.0
177.05511	7.4
177.09169	6.6
179.07112	3.5
181.08609	12.4
187.04077	3.2
187.07458	17.6
189.05470	3.5
191.07027	21.8
201.05511	11.8
203.07082	4.0
205.08601	37.3
215.07072	6.0
219.06474	19.3
219.10039	6.0
233.08080	23.3
237.07651	7.7
240.40086	2.7
250.45055	2.8
251.09142	60.5
271.05896	6.6
272.06284	3.0
275.09122	6.4
281.08145	3.2
287.05402	5.1
293.10153	10.7
311.07761	4.4
311.11554	3.6
325.12888	14.8
327.08591	3.9
337.14023	3.9
345.09695	19.4
355.15442	5.4
359.11288	16.7
363.10608	21.9
376.56061	3.4
377.12299	38.5
381.12079	4.0
391.13928	7.1
395.13391	29.4
409.15082	3.9
459.19913	4.1
596.27710	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	596.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.01843	1.5
55.05509	13.3
57.03428	4.9
57.07068	2.8
58.89935	1.7
59.05494	1.3
59.15771	1.6
65.03940	2.3
67.05502	64.7
69.07065	9.6
70.73318	2.1
71.04972	1.7
73.02901	2.1
75.04470	2.4
79.05489	39.2
81.07053	69.5
83.08590	7.8
85.02869	1.8
85.06561	2.1
91.05475	22.8
93.07038	50.8
95.04947	2.4
95.08599	63.9
97.06522	1.8
97.10166	2.5
99.04434	2.6
99.08102	2.7
100.26629	1.6
105.07010	15.9
107.08584	33.3
109.02858	5.0
109.10155	35.2
110.03619	1.8
111.04413	3.6
117.06978	8.3
119.08575	15.6
121.10140	36.3
123.08043	2.5
123.11700	18.3
125.09635	2.4
127.03922	4.3
131.08571	19.0
133.10107	15.2
135.11679	28.5
137.09612	2.0
137.13258	7.0
145.10115	16.6
147.11697	12.8
149.13246	22.4
151.14815	4.1
159.11668	13.9
161.13235	10.7
163.14804	13.8
165.12740	3.4
173.13254	14.2
175.14848	5.1
177.12781	2.2
177.16383	6.1
179.14320	3.0
179.29161	1.5
187.14809	8.8
191.00114	2.6
201.16367	4.0
205.15758	2.3
218.05489	1.5
219.17438	1.7
233.22594	3.9
243.21075	36.6
254.45430	1.6
261.22119	100.0
262.22446	4.7
273.22473	1.7
275.36060	1.6
279.23248	3.4
282.37106	1.8
335.25833	29.6
337.27252	3.2
353.26807	47.7
377.26187	1.7
561.27197	11.5
621.12610	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	596.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.1
55.01871	2.4
55.05508	18.6
57.03435	6.4
57.07067	5.0
64.53393	1.4
65.03937	2.7
67.05503	75.8
68.05824	2.1
68.12748	1.5
69.03437	3.5
69.07059	13.1
71.04996	3.2
71.08640	2.3
73.02918	4.0
75.04473	2.0
79.05494	43.6
81.03422	4.2
81.07056	92.9
82.07410	1.6
83.04980	2.3
83.08617	7.9
85.02914	4.0
85.06510	2.6
91.05481	27.1
93.07038	59.2
95.04978	5.1
95.08604	68.3
95.09220	3.4
97.06512	2.9
97.10146	2.4
98.97582	2.3
98.98460	3.8
99.04455	2.0
99.08060	2.0
105.04538	2.5
105.07030	21.6
107.08593	41.7
109.02876	6.0
109.06583	1.6
109.10156	32.6
110.03686	2.1
111.04408	1.9
111.08098	2.5
114.41090	1.8
116.98619	2.0
117.07027	9.2
119.08581	14.7
121.10153	31.8
122.10511	2.3
123.11668	15.7
124.99996	7.9
125.09573	1.8
127.03945	4.1
131.08577	21.4
133.09088	2.5
133.10121	15.0
134.09651	5.8
135.11696	25.8
137.09596	2.9
137.13278	8.8
138.09175	3.3
142.32880	1.7
145.10136	15.7
147.11673	14.2
149.09668	1.7
149.13254	20.3
151.14798	2.7
153.12738	2.3
155.01025	1.8
159.11668	16.1
161.13255	11.1
163.14824	17.3
164.10721	39.0
165.12733	2.3
165.72729	1.8
173.13249	14.7
175.14850	5.6
177.16365	3.9
179.14313	3.5
182.11728	2.5
187.14835	11.4
191.00127	2.1
201.16444	3.1
215.17932	2.1
219.17641	1.8
233.22644	4.5
243.21098	36.9
259.20840	1.9
260.85489	1.7
261.22134	100.0
262.08395	49.1
262.22446	2.5
272.57248	1.8
279.23242	5.9
284.74756	1.6
327.22839	2.0
335.25778	24.1
336.26019	4.1
337.27386	2.1
353.26862	47.1
354.27731	1.9
472.15991	1.8
561.27222	9.9
573.30701	1.9
579.13922	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	596.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85612	0.9
53.03941	1.4
55.05510	8.4
57.03435	2.4
57.07059	1.9
59.04989	1.9
61.02914	2.7
65.03934	1.4
67.05503	6.5
69.03438	6.4
69.07064	7.3
69.11956	4.1
69.12359	2.3
71.04990	28.8
73.02906	1.4
73.06554	2.2
79.05493	14.2
81.03400	2.0
81.07056	29.5
83.04970	2.1
83.08601	4.3
85.02909	21.4
85.06539	4.2
87.04459	1.5
91.05479	14.8
93.07043	17.5
95.04967	3.6
95.08606	21.3
97.02893	7.3
97.06525	3.5
97.10163	2.5
98.22771	2.4
99.04453	1.5
99.08076	7.2
103.03950	1.0
103.05471	1.3
105.07026	41.8
105.07737	2.1
106.07341	1.5
107.04959	1.3
107.08587	21.8
109.02872	2.7
109.06518	1.6
109.10153	15.3
115.03962	1.2
115.05462	1.4
117.07087	2.2
119.08572	16.4
121.06512	1.1
121.10134	13.0
123.08035	1.4
123.11664	7.0
125.09634	27.8
127.03886	5.9
127.07548	4.4
127.11179	8.1
131.08565	8.3
133.10124	84.4
133.69827	1.1
134.10449	1.3
135.08064	1.1
135.11679	6.0
137.05995	2.5
139.11156	1.6
143.10669	74.9
145.02879	1.2
145.04936	6.5
145.10112	13.4
147.11676	18.9
149.05997	1.6
149.13260	12.1
151.03888	1.7
151.11191	5.6
153.01813	12.6
159.11685	10.9
161.13223	6.2
163.03889	4.5
163.05989	3.7
163.11134	1.9
164.04289	1.6
165.01778	2.6
165.05434	1.0
167.14310	44.6
169.12212	5.5
171.02847	1.7
173.13354	2.1
177.05481	11.5
179.03371	1.9
185.15474	1.2
191.17838	1.2
195.02885	7.4
201.16377	13.9
203.17915	2.6
216.95992	0.9
219.17432	100.0
220.17755	5.0
221.18867	1.6
231.02856	1.1
237.18469	19.8
249.04019	2.6
302.07227	2.1
303.08603	24.5
315.08572	1.5
325.11230	1.8
345.10083	2.5
363.21490	1.2
369.09326	1.1
435.12994	1.0
596.23285	8.1
596.31787	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1817
Annotation	Okanin 4-methyl ether 4'-primveroside
Peak:m/z	Relative Intensity
50.75690	0.6
53.02959	0.5
53.03938	0.7
55.01867	0.9
56.95877	0.6
57.03432	3.9
61.02921	1.6
67.01871	1.5
67.05486	1.4
68.99796	0.7
69.03429	3.3
73.02917	7.1
76.52393	0.6
79.05493	1.9
81.03409	1.8
81.07054	1.5
83.04950	0.8
85.02905	7.4
87.04442	1.1
89.03941	1.3
91.05467	1.6
93.07037	1.7
95.04956	2.1
95.08638	1.1
97.02897	4.9
101.99237	0.6
105.07042	1.9
107.04955	1.5
107.08588	1.8
109.02877	1.9
109.10171	1.4
111.04439	1.9
115.03931	2.0
115.05386	0.8
117.03374	2.5
117.07037	1.4
119.04945	1.1
119.08592	1.0
121.02858	1.7
121.10163	1.0
123.04455	1.2
125.02342	1.0
127.03885	1.3
129.06970	0.8
131.08521	1.0
133.04951	1.1
133.10106	1.0
135.04430	1.8
135.11696	0.8
137.05983	3.7
139.03947	0.7
143.10732	0.7
145.02827	2.6
145.04993	1.5
145.06473	2.7
145.10158	0.9
147.08029	0.9
149.05965	2.5
151.03938	4.4
151.07541	1.9
153.01822	52.0
157.06490	1.0
161.06020	0.8
163.03935	8.0
165.01860	4.2
165.05449	2.2
167.07027	5.2
171.02916	7.6
173.05977	6.2
175.07535	1.6
177.01839	2.0
177.05467	38.2
178.07576	0.6
179.03401	6.8
183.02872	1.9
187.07478	1.1
189.01802	0.8
190.06245	1.9
191.03345	2.5
195.02863	13.9
195.04497	1.1
201.05371	0.9
203.03447	3.0
204.20430	0.9
205.08600	7.4
207.02901	1.1
217.08614	3.3
219.02925	5.6
219.17470	0.8
221.04443	0.6
231.02901	3.9
235.09708	2.0
247.87711	0.7
247.90352	0.7
249.03979	7.6
250.14209	0.9
261.04034	0.9
265.10757	3.5
267.05063	2.2
285.07443	1.1
303.08624	100.0
304.08997	3.0
315.08612	4.3
327.08472	1.9
330.29431	0.6
345.09564	3.7
369.09525	4.4
381.09698	1.9
399.10632	4.1
401.16125	1.0
417.11615	2.1
435.12592	2.3
465.13290	0.9
524.18964	5.2
597.21948	3.4
597.36761	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	597.1814
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
50.56041	2.9
55.01860	5.1
65.03922	5.1
69.03445	4.4
73.61097	3.2
81.03426	8.3
83.01361	3.1
85.02908	27.2
91.05431	4.4
93.03424	11.4
95.05006	7.3
97.02891	6.3
103.05460	3.5
105.03349	3.8
105.07036	4.2
107.04977	24.4
109.02875	15.5
111.04453	8.4
111.42588	3.6
119.04935	9.1
121.02866	26.8
121.06500	9.8
123.04421	13.3
131.04964	8.2
133.06512	6.8
135.04420	18.5
137.05994	4.3
139.03876	7.2
145.06493	5.0
147.04401	23.4
149.02357	6.6
149.05956	5.0
150.83278	3.4
151.03903	8.6
159.04425	12.9
161.02380	4.7
161.05957	5.7
163.03889	9.6
165.01830	14.3
167.06970	5.2
173.02336	7.4
173.06003	10.4
175.00275	4.4
175.03856	5.7
177.01825	21.6
177.05450	10.0
181.04951	5.4
187.03896	10.1
189.01817	28.4
189.05504	6.8
191.03362	14.6
193.01276	3.2
195.02910	29.2
201.01740	7.3
201.05429	14.0
203.03447	11.1
205.01341	10.8
205.04906	6.7
207.02890	48.1
215.03395	19.8
217.01204	4.9
217.04961	6.7
219.02892	87.7
221.00815	4.5
221.04445	6.3
223.02380	9.3
225.03926	14.7
227.03470	7.9
229.05006	18.5
231.02835	56.3
233.04477	24.0
235.47575	3.5
237.03886	24.8
241.01363	3.9
241.05139	3.8
243.02844	37.9
243.06538	6.8
245.04433	6.1
249.03860	11.1
255.02925	9.8
257.04440	21.4
259.02359	4.6
259.06082	4.6
261.01205	5.5
261.03940	100.0
269.04581	7.3
271.02588	3.6
271.05978	6.7
273.03958	53.1
281.04498	3.7
285.03915	49.2
291.05020	23.2
297.03955	15.3
297.07474	11.0
299.05389	9.9
303.05020	33.3
309.03717	6.7
309.07425	9.4
315.04965	9.1
321.06009	19.5
325.07120	4.1
327.04962	44.3
327.08643	18.8
339.08307	32.1
345.06039	8.0
351.08682	14.5
357.05975	11.8
363.07159	34.9
369.06113	8.2
375.07089	8.0
381.09622	29.5
387.07199	6.2
393.09641	33.0
405.08444	33.2
409.09088	4.6
411.10684	9.5
417.10004	4.4
417.15649	3.8
423.10208	23.5
429.11725	31.5
441.10757	31.5
447.10565	24.4
459.13089	29.3
465.11691	7.6
477.12354	8.1
483.12689	16.9
489.11987	4.2
495.12802	14.4
507.12970	8.0
525.13879	16.5
543.14886	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	597.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01856	0.4
55.05259	0.6
55.05512	11.3
57.03178	0.7
57.03439	8.2
57.07065	1.6
58.44397	0.3
62.63831	0.4
65.03933	1.3
67.05505	26.4
67.08263	0.4
69.03423	0.5
69.07067	16.9
69.11620	0.4
70.72892	0.6
71.04986	0.6
71.08604	1.0
74.49895	0.4
79.05489	8.7
81.03415	2.3
81.07056	29.9
82.07392	0.6
83.04968	1.2
83.08618	8.0
85.06547	0.9
91.05477	5.4
93.07043	7.6
95.04951	1.1
95.08607	21.2
97.06522	2.0
97.10175	3.9
98.11787	0.4
98.98471	8.5
99.08101	0.5
105.04469	0.4
105.07037	3.6
107.07915	0.6
107.08597	4.6
109.02881	2.3
109.06467	0.7
109.10143	7.3
111.08082	0.8
111.11732	0.6
113.09651	0.7
119.08585	3.5
121.10107	2.8
123.08069	0.6
123.11713	2.6
125.09629	0.7
133.10127	2.8
135.11670	2.3
137.13252	1.0
138.19266	0.4
147.11684	2.2
149.13269	1.0
151.14764	0.7
155.01059	3.4
161.13263	1.5
163.14787	0.5
173.02068	0.5
175.14798	1.1
180.61327	0.4
189.16476	0.6
212.92334	0.4
233.10970	0.4
245.22600	0.5
251.02499	0.4
261.03711	1.8
263.23685	1.9
304.55325	0.4
335.07336	0.7
337.27356	100.0
338.27689	4.0
383.25378	0.4
597.38989	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3764
Annotation	Methylanhydrovilangin
Peak:m/z	Relative Intensity
51.55208	1.4
51.91525	1.3
55.05517	2.4
67.05508	2.8
71.43011	1.6
79.05493	2.4
81.07069	4.0
91.05518	3.2
93.07058	1.8
95.08631	2.8
105.07027	2.9
106.10663	1.4
109.06544	1.4
109.10186	1.4
119.08624	2.2
121.06619	1.8
121.10171	2.5
123.08089	1.6
131.08646	1.5
133.10149	2.1
145.10086	1.8
171.11755	1.6
257.62433	1.4
331.18820	1.9
410.97995	1.7
579.36230	15.9
597.28302	3.9
597.37646	100.0
598.37708	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	597.3763
Annotation	Methylanhydrovilangin
Peak:m/z	Relative Intensity
55.05512	0.7
56.53062	0.4
67.05497	1.9
69.07069	0.4
69.17587	1.9
79.05488	1.8
81.07050	2.0
91.05481	1.4
93.07050	2.7
95.04954	1.1
95.08598	1.1
98.22683	0.8
105.07023	1.1
107.08611	1.3
109.10178	0.5
119.08587	0.8
121.10105	0.4
129.07060	0.4
133.10118	0.9
135.11749	0.6
137.36754	0.3
145.10176	0.5
147.11697	0.7
171.11679	0.5
199.07515	0.4
247.13101	4.0
260.80707	0.3
281.50211	0.4
287.15982	0.4
299.19662	0.3
303.15720	2.7
305.17456	0.4
317.20776	1.7
333.20258	0.4
373.23633	1.7
597.37610	100.0
598.37909	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	598.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
55.01859	4.5
57.03424	2.1
59.04992	5.5
61.02915	3.3
67.05494	3.0
69.03426	15.5
71.01360	5.8
71.04995	2.0
71.45279	1.1
73.02910	4.1
75.04489	6.3
77.03916	1.5
79.05495	15.5
81.03414	8.7
81.07043	3.0
81.63818	1.2
83.01328	3.3
83.04988	2.5
85.02908	8.7
87.04462	8.1
91.05478	6.5
93.07030	7.1
95.01313	2.2
95.04964	20.3
97.02892	18.1
99.04440	2.2
101.02366	6.0
101.05997	3.1
103.03949	3.9
103.05462	4.8
105.03466	1.1
105.04502	1.6
105.07011	2.6
107.04948	67.4
107.08634	1.3
109.02878	37.9
109.06512	4.7
111.04451	10.5
113.02378	2.0
113.58155	1.2
115.03909	3.0
119.04966	1.9
121.06511	10.5
123.00758	1.3
123.04437	6.9
125.02342	11.9
125.06020	2.0
127.03903	3.9
129.05486	17.1
131.04909	4.0
133.02800	1.7
135.04410	100.0
136.04720	1.9
137.05963	3.5
139.03897	22.5
139.07491	1.5
143.03461	2.8
145.05020	1.4
147.04469	1.5
147.06520	7.4
149.05951	17.9
151.03902	25.6
153.05472	11.4
155.10629	2.4
157.04980	3.3
159.04433	6.2
163.07608	1.4
165.05476	41.5
167.07022	17.7
175.06003	11.3
177.05464	49.6
178.08626	1.6
185.05943	1.6
191.07002	8.2
193.07060	29.7
195.06523	47.2
196.18137	1.2
209.08069	51.4
217.07066	1.6
221.06490	2.6
222.11218	2.8
223.16286	1.2
227.09079	10.6
268.46808	1.3
288.74463	1.3
339.10675	1.4
351.10852	3.1
369.11804	24.2
383.13345	4.4
387.12851	19.3
401.14484	2.8
419.15353	1.3
598.24054	4.8
599.22406	5.2
612.33673	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01860	0.8
58.59649	0.6
61.02923	2.5
61.15131	0.7
67.05504	1.1
67.77457	0.7
69.03433	3.7
69.88295	1.5
69.88618	0.9
71.04984	2.6
73.02926	1.0
78.04714	0.9
79.05504	4.1
81.03421	13.6
81.07052	8.0
85.02408	1.3
85.02907	19.4
87.15203	0.7
89.68090	0.8
91.03958	1.6
91.05479	2.7
93.07043	3.4
95.04965	2.0
95.08608	1.9
97.02877	6.1
98.23383	1.4
99.59714	0.7
103.05449	1.5
104.57756	0.7
105.07035	6.4
107.04955	8.8
107.08581	4.2
109.02875	1.9
109.10154	3.1
115.05442	5.0
117.07015	11.0
119.08588	8.1
121.10144	1.0
123.04432	2.4
123.11725	1.3
124.05210	0.9
127.03908	4.4
127.11191	2.1
129.06999	2.3
131.04889	1.0
131.08603	3.2
133.06548	1.7
133.10081	3.4
135.11699	6.6
137.05954	1.2
141.06966	0.8
143.10730	1.3
144.05618	1.4
145.04976	8.2
145.06482	29.0
147.04372	0.9
147.11676	3.4
149.13222	0.9
152.04703	0.9
155.06006	5.8
155.07040	0.7
156.05705	4.8
157.06450	2.2
157.94519	0.8
159.08072	4.2
161.05971	3.8
161.13252	1.4
162.07611	1.1
163.03882	2.0
163.06021	4.3
167.07040	48.2
168.07333	0.9
173.05981	57.9
174.06419	0.9
175.04150	0.6
175.07512	2.0
179.07016	0.9
180.08667	5.1
181.04929	1.1
181.08572	0.8
183.06581	1.7
184.05196	1.6
187.07529	6.3
190.06247	31.2
191.06932	2.2
193.08624	2.5
195.06522	1.6
202.06194	3.6
203.06990	5.9
203.17896	5.1
204.07721	0.9
205.08597	100.0
206.08949	2.4
207.06526	1.2
209.07976	1.0
215.06985	1.0
217.08598	37.4
218.09035	0.9
219.10138	4.8
221.19011	8.4
223.09607	2.3
231.07915	0.8
231.10135	0.8
235.09639	30.3
236.10132	0.7
247.07521	1.3
247.09660	6.8
248.08293	1.5
261.08896	1.0
263.10629	1.0
264.07706	1.0
265.10724	35.0
266.11313	0.9
271.09595	1.6
275.06882	0.9
276.07932	0.9
279.10199	1.1
291.10190	1.1
293.08075	1.4
301.06918	0.8
307.09537	1.7
308.10422	1.2
315.08591	4.1
323.12744	1.9
325.11191	2.9
330.11005	6.2
331.11545	3.5
339.12122	1.4
343.11920	1.1
351.12268	3.5
371.14862	2.4
383.14822	11.1
396.51089	0.8
401.15933	10.3
598.23621	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52734	0.9
53.03944	1.1
53.85448	0.9
55.01857	1.1
55.05509	2.0
56.52612	0.9
57.03429	2.9
61.02922	1.5
69.03420	4.4
69.19791	1.9
69.20202	3.3
71.04979	1.3
73.02915	2.6
79.05496	5.2
79.55887	1.0
81.03415	11.4
81.06631	0.8
81.07040	5.9
83.04975	1.2
83.08617	1.2
85.02908	14.0
85.06562	1.0
86.09700	1.1
87.04482	5.1
91.05494	3.5
93.07024	2.3
95.04962	2.6
95.08591	1.9
97.02903	3.9
100.11246	1.9
102.64000	0.9
103.05456	1.5
105.07015	3.6
107.04955	11.0
107.08588	3.4
109.02834	1.2
109.10120	2.3
115.03966	1.3
115.05436	6.5
116.01710	1.3
117.03376	1.4
117.05773	1.6
117.07018	17.3
119.08596	4.3
121.08874	1.5
121.10136	2.4
123.04434	3.0
124.05213	1.8
126.08353	0.9
127.03876	2.1
127.11192	1.8
128.06198	1.7
129.06982	2.1
131.04922	1.6
131.08591	4.3
132.08075	3.2
133.06516	2.2
133.10152	2.1
135.04376	2.0
135.11676	3.2
137.05940	3.4
138.06392	1.0
139.03960	1.1
141.06949	1.5
144.05705	3.8
145.02779	1.0
145.06479	35.3
147.11687	1.7
149.05934	1.5
151.03848	1.2
151.07520	1.6
153.01830	11.0
153.05441	1.0
154.02127	4.5
155.06018	6.5
155.07048	1.1
156.05672	5.5
157.06476	1.2
157.07632	1.2
159.08078	5.2
161.05952	5.3
162.02168	1.5
162.07590	1.3
163.03911	9.0
164.04401	1.1
164.10707	14.2
165.01825	1.4
167.07031	46.6
168.07350	1.1
169.07700	1.2
171.02884	2.3
172.05249	1.4
173.05980	68.2
174.06401	1.8
175.07491	1.9
177.05466	9.6
178.05800	3.9
179.03345	1.2
180.08673	4.8
181.04936	1.7
181.06621	1.3
182.15398	1.7
183.06517	2.0
184.05171	1.7
187.07504	7.1
190.06236	41.2
191.06970	2.8
193.08633	2.8
195.02895	4.7
196.03214	2.2
202.06279	4.5
202.93532	0.9
203.06958	6.8
203.17924	2.5
205.08589	100.0
206.08867	2.2
207.06451	2.0
210.15073	1.9
215.07001	1.1
217.08585	43.1
218.08986	1.1
219.02910	1.4
219.08119	2.1
219.10127	5.7
220.03178	0.9
221.06023	1.2
221.19009	4.3
223.09674	2.9
231.08011	1.8
235.09634	29.2
247.07495	1.7
247.09676	7.3
250.04233	1.1
250.14400	27.2
261.08859	1.2
263.10730	1.3
264.07623	1.1
265.10699	43.6
266.11044	1.6
269.08047	1.4
269.20990	1.2
271.09653	2.3
276.07645	1.2
279.10095	1.8
282.08704	1.1
285.07761	1.1
287.05536	2.0
291.06540	2.1
291.10010	1.4
291.17065	1.0
293.07932	0.9
303.08652	12.6
304.08984	18.0
307.09576	1.7
308.10269	1.1
315.08615	5.1
319.80579	0.9
321.07724	1.1
323.12634	2.4
330.10916	6.2
331.11612	3.8
337.10419	1.0
339.12241	1.6
346.09915	1.5
351.12241	2.9
368.12564	1.2
371.14920	3.0
383.14856	11.8
389.13837	1.5
400.10965	0.9
401.15976	13.5
598.23602	2.6
598.32019	11.2
599.25720	1.7
599.39185	1.5
625.78955	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	19.5
57.03430	5.0
57.07063	11.9
65.03938	4.3
67.05502	70.1
69.07066	25.9
70.06577	6.1
71.08622	8.8
73.61464	3.4
77.26894	3.0
79.05486	26.1
79.82240	3.1
81.07054	100.0
83.08621	19.9
85.02872	4.4
88.07629	5.1
91.05485	15.4
93.07040	27.2
95.08598	76.1
97.06543	7.4
97.10164	13.3
102.09217	5.4
105.07030	14.9
107.08575	24.8
109.02870	5.1
109.06536	4.7
109.10145	39.3
110.03707	3.4
111.08065	7.5
111.11707	4.5
119.08559	13.3
121.10154	27.2
123.11716	18.3
125.09584	3.4
131.04918	3.1
131.08673	3.4
133.06445	6.6
133.10114	16.5
135.11694	13.5
137.13277	5.9
147.11696	12.0
149.13261	10.3
151.14928	4.0
157.10187	3.4
161.13254	12.5
162.09119	3.4
162.80978	3.8
163.14819	13.0
165.16406	8.7
175.14825	10.1
177.09087	19.8
179.17953	9.2
189.16391	5.2
193.04886	8.2
203.17966	3.4
206.12790	2.9
245.22670	65.9
256.26328	21.4
263.23706	100.0
337.27359	62.7
355.28201	6.1
356.65540	3.1
369.13556	19.0
503.22116	4.3
563.28711	12.9
598.27618	5.0
598.37183	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00785	2.6
53.03942	3.1
54.57655	2.7
55.01866	3.2
55.05518	21.5
57.03432	7.4
57.07074	11.1
57.73961	2.8
61.05198	2.7
64.06704	2.5
65.03925	3.6
67.05505	77.5
69.03426	5.4
69.07063	29.1
71.04977	4.2
71.08628	3.9
79.05499	24.0
79.99644	2.6
81.03432	5.5
81.07057	96.0
83.04992	6.8
83.08615	26.0
85.06538	2.7
85.99722	2.6
87.30491	2.8
87.97886	2.7
91.05499	19.7
93.07040	33.1
95.04964	3.5
95.08020	5.5
95.08608	81.1
97.06522	8.7
97.10156	10.1
99.08102	5.0
104.10729	9.2
105.07019	15.9
107.08591	21.7
109.02861	5.6
109.06526	3.5
109.10159	35.8
111.08091	4.9
111.11743	6.9
117.07034	4.9
119.08610	17.5
121.06493	3.1
121.10170	25.9
123.08010	4.9
123.11711	15.3
131.08569	5.7
133.10147	15.9
135.11694	15.6
137.13278	7.8
141.12779	3.8
143.08589	3.6
147.11690	13.5
149.13240	8.5
151.14819	7.7
153.12772	4.3
155.14299	4.5
161.13248	16.8
163.14816	10.6
165.16383	5.2
175.14809	11.8
179.17880	6.4
182.11801	2.6
183.11528	3.4
245.22649	56.5
262.08264	3.9
263.23712	100.0
264.24112	4.9
281.24905	3.3
291.19577	3.8
337.27350	58.7
355.28339	6.8
522.32959	3.0
554.32556	4.2
563.28839	17.1
598.39642	4.0
599.41101	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	598.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18460	2.4
53.03942	3.9
55.05500	11.4
67.05489	7.6
69.03414	7.4
69.07060	16.1
69.13505	14.0
69.13909	4.5
71.04994	16.5
73.02911	3.9
79.05489	21.8
81.03412	5.4
81.07058	92.4
83.04965	4.1
83.08620	7.8
85.02902	34.2
85.06571	5.6
86.09692	5.0
91.05487	16.4
93.07039	33.8
95.04973	3.9
95.08602	38.0
97.02890	14.0
99.08099	6.1
105.07034	39.4
107.04939	3.9
107.08582	51.1
109.02935	3.3
109.10159	39.3
111.08084	2.7
111.11716	2.8
116.01680	4.2
117.07029	4.9
119.08579	58.2
121.06496	2.8
121.10133	14.7
123.08111	3.2
123.11697	25.8
124.03983	2.8
125.09635	6.9
127.03933	10.8
127.11187	29.3
131.04916	3.6
133.10120	34.7
135.04422	3.5
135.11690	80.4
136.03961	3.9
137.05984	8.7
137.09608	3.8
137.13318	4.0
139.11115	3.0
143.10680	32.9
145.04936	16.3
145.10097	4.8
147.04384	3.7
147.11713	21.6
149.05963	3.6
149.13245	10.2
151.03986	3.3
153.12726	6.4
159.11758	6.4
161.06003	4.3
161.13228	21.3
162.02142	5.4
163.03925	9.2
163.05998	11.0
164.03421	14.1
165.05476	4.9
167.07100	5.0
175.14694	3.2
177.05449	4.6
177.16324	3.9
178.08731	4.2
184.07410	4.0
203.17950	75.9
205.08592	5.8
221.19005	100.0
233.19168	3.8
239.20107	5.2
250.14336	4.3
251.78604	3.0
265.10965	3.1
270.47308	2.7
277.11945	3.0
280.73248	3.0
291.06161	3.0
293.10709	2.8
302.39755	2.8
319.16211	3.7
325.11093	3.5
342.11020	3.1
598.23334	6.5
598.33173	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	598.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.3
55.05516	5.8
57.03433	2.5
57.07055	2.2
61.02928	1.8
62.03823	2.0
65.03951	2.3
65.20483	1.6
67.05508	6.0
68.82224	1.7
69.03426	4.2
69.07083	8.2
70.11137	4.7
71.04996	17.4
79.05496	16.8
81.03426	6.0
81.07056	69.0
83.08601	3.4
85.02902	20.9
91.03997	1.7
91.05499	9.9
93.07040	27.4
95.04939	3.0
95.08608	23.2
97.02893	4.0
97.10164	2.1
99.08073	4.6
103.05455	2.0
105.07033	31.1
107.04995	2.0
107.08590	37.8
109.10152	23.7
111.04334	2.1
111.11700	1.8
113.09599	1.7
115.05414	1.6
117.06999	3.9
119.08581	46.5
121.10133	9.0
123.08050	1.8
123.11703	22.9
125.09626	6.5
127.03906	4.1
127.11183	18.1
129.54742	1.6
131.08583	2.0
133.10124	31.9
135.11690	77.5
136.97607	1.9
137.06007	1.9
137.13255	5.8
139.11143	2.3
143.10666	32.7
145.05011	9.2
145.06529	7.2
145.10112	2.2
147.11699	15.9
149.13240	6.6
153.12744	3.9
156.05731	2.1
159.08034	2.3
161.13255	14.3
163.03946	3.5
163.05963	4.9
163.14825	6.2
167.07040	14.0
173.05980	15.4
175.14845	2.9
177.16367	2.9
187.07681	2.2
190.06236	6.1
203.17953	64.3
205.08591	23.5
205.19463	2.1
217.08557	7.5
217.10509	1.9
221.18994	100.0
222.19424	2.7
235.09660	7.9
239.20053	7.6
265.10703	10.4
291.98822	1.7
325.11295	2.0
383.14832	2.5
383.24225	3.1
389.93549	1.9
401.16211	2.8
545.22876	2.2
583.69989	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68249	1.8
53.03943	6.6
55.01876	10.3
55.05511	6.8
57.03435	2.7
57.07079	22.4
59.58003	1.5
59.73738	1.7
67.01834	1.8
67.05508	15.4
69.03431	20.1
69.07072	9.3
69.22741	10.4
70.06587	4.2
71.04992	10.2
71.08635	18.3
73.02908	5.0
79.05478	4.5
81.03409	27.7
81.07053	15.4
83.05004	2.7
83.08614	8.4
85.02883	10.8
85.10176	9.6
88.07607	2.7
91.05480	5.5
93.07051	7.4
95.04958	3.7
95.08606	19.3
97.02890	32.0
97.10188	4.6
98.22684	4.0
99.04454	54.2
99.94534	1.7
101.02402	2.0
105.03401	2.2
105.07030	4.4
107.04985	1.8
107.08596	2.5
109.02879	43.5
109.03633	2.6
109.10142	6.7
116.07011	2.8
117.07034	2.0
119.08582	4.4
121.10147	6.2
123.11720	3.1
127.03911	100.0
131.08583	4.2
137.09596	1.8
145.04948	15.8
149.05972	6.4
149.09697	2.0
157.10104	2.7
157.18491	1.6
161.09662	1.6
167.10648	1.6
171.11693	2.7
184.40681	1.6
193.04874	2.2
195.11533	1.8
239.23669	16.6
257.24741	4.5
263.82767	1.8
284.29507	4.9
311.25742	3.4
335.25882	4.2
339.28940	4.7
341.10184	5.5
383.27902	28.8
384.28467	2.1
401.28986	47.6
496.49957	2.1
598.37665	12.0
599.41028	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	599.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69722	0.3
57.24362	0.3
59.49736	0.3
69.56412	1.3
71.24310	0.3
81.01028	0.4
138.02937	0.5
167.03159	0.9
169.04761	0.6
171.00569	0.8
186.06563	1.1
221.04251	1.4
241.24507	0.4
263.05521	0.4
291.08466	1.2
331.11475	0.8
337.09048	2.8
349.12637	1.5
365.08582	1.4
435.12686	0.7
471.16290	0.6
487.15732	0.7
497.14120	0.9
501.17303	13.2
502.17908	0.9
524.42676	0.4
529.16815	13.4
530.17505	0.9
567.18262	1.4
599.20984	100.0
600.21051	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	599.2506
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
55.05507	5.4
57.07085	3.2
69.07059	5.0
69.45333	3.4
81.07055	10.7
91.05489	5.1
93.07101	7.9
95.08592	5.3
97.80484	3.3
100.79739	3.4
105.07040	3.8
107.08604	4.9
145.10104	8.3
196.93724	3.1
221.15390	5.4
231.52159	3.0
239.81525	3.0
251.15552	4.3
280.96484	3.0
294.42511	3.1
314.16476	4.5
330.19266	4.0
339.16290	6.3
340.17841	6.0
352.17926	4.1
353.17810	9.1
354.18478	13.7
365.17447	4.8
369.20804	23.9
377.17587	4.4
379.19180	13.2
381.16840	4.2
381.21106	3.6
397.20401	7.1
404.17096	3.0
425.19693	28.8
437.19519	5.2
451.21283	21.7
452.22244	6.7
453.19174	6.5
455.24316	5.8
456.25177	5.3
462.20813	5.7
467.24454	4.1
483.22839	3.6
484.24448	10.8
497.21783	4.4
511.23398	4.8
512.24249	36.4
513.24915	3.7
539.22778	41.1
582.22021	4.1
599.25006	100.0
599.39850	4.2
600.26178	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	599.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.7
53.03932	0.7
55.01856	0.9
55.05513	4.3
57.03408	0.6
57.07071	6.1
57.13985	0.7
59.04974	2.0
65.03911	1.5
66.28450	0.5
67.05506	9.3
67.48264	0.6
69.03429	8.1
69.07074	3.6
69.54218	1.3
69.54574	1.4
72.12518	0.6
77.03915	1.4
79.05492	8.3
81.03411	0.8
81.07058	12.7
82.07394	0.7
83.04945	2.5
83.08598	1.8
84.99973	0.7
85.06538	3.9
86.09691	1.7
91.05477	13.1
93.07047	18.6
95.04970	6.5
95.08028	0.9
95.08604	14.4
96.08920	0.8
97.06541	3.2
103.05467	1.5
104.10722	1.9
105.04503	1.3
105.06358	1.2
105.07027	21.6
107.07947	0.9
107.08600	12.0
109.06511	6.4
109.10150	4.7
110.10492	0.7
111.08069	1.2
115.05396	1.5
116.06226	0.9
117.07015	4.9
119.07756	1.3
119.08585	24.9
121.06507	4.3
121.10139	14.6
123.08065	13.2
123.11681	1.7
125.06006	3.3
125.09611	0.6
128.06216	2.4
129.06973	5.0
130.07777	2.0
131.07648	0.9
131.08554	9.7
133.06454	2.5
133.10124	12.0
135.08063	11.7
135.11687	4.4
137.05937	1.4
137.09616	11.6
139.07516	2.0
141.06970	2.5
142.07784	6.3
143.08565	11.2
144.09309	2.3
145.06476	1.0
145.10118	18.1
146.98157	1.7
147.08041	22.7
147.11703	4.1
148.08727	0.9
149.09633	3.6
151.07555	9.8
153.01830	1.2
153.06995	1.0
154.07753	1.3
155.08536	5.4
156.09317	5.1
157.10127	16.7
158.10918	1.1
159.08040	2.5
159.11711	10.3
160.08846	0.8
161.09615	5.5
161.13252	4.5
163.11172	7.8
163.14798	0.8
165.09113	50.5
166.07773	0.6
166.09393	0.9
167.08562	1.7
167.10658	1.0
168.09338	2.5
169.10123	7.5
170.10931	3.5
171.11670	9.6
172.12312	0.8
173.09631	3.9
173.13268	3.3
175.11163	2.3
175.14735	2.0
176.20116	0.6
177.09140	1.7
177.12746	1.3
179.08525	1.8
179.10548	0.8
180.09389	1.3
181.10110	2.8
181.12242	7.8
182.10912	2.0
183.08162	0.7
183.11685	9.6
184.07343	0.7
184.12350	1.0
185.09700	1.3
185.13246	6.3
186.10394	0.9
186.13905	0.8
187.11183	2.0
187.14798	1.9
189.12735	3.9
191.10664	3.7
191.14291	1.3
193.10118	2.1
193.12025	1.1
194.10919	1.7
195.11688	5.0
195.13538	1.2
196.12479	3.1
197.09615	1.2
197.13284	5.2
198.10492	0.7
199.11179	2.4
199.14766	1.0
201.12761	1.9
203.14308	16.8
206.10890	0.9
207.11707	2.0
207.13800	4.9
208.12433	0.8
209.13234	5.1
209.15230	1.4
210.10320	0.7
211.11145	2.0
211.14799	4.8
213.12724	2.1
215.14310	1.4
219.11609	1.0
220.12312	0.8
221.13477	3.5
221.15358	100.0
222.15782	2.0
223.11125	1.2
223.14803	2.3
225.12794	1.6
225.16331	1.4
227.14264	1.6
229.12286	1.6
229.15842	1.9
231.11655	0.9
231.13719	1.5
233.13161	1.6
233.15421	2.1
235.14757	1.3
236.15572	0.6
237.12837	1.1
237.16328	1.1
239.14334	1.2
239.17923	1.1
243.17500	0.7
247.14795	1.3
247.16928	17.1
249.16357	1.3
259.14798	0.8
261.16275	1.0
261.18658	1.1
269.18726	0.9
271.16940	1.1
273.16168	0.9
275.17651	0.8
281.19147	1.3
286.19168	1.4
287.20145	7.5
289.19501	0.8
295.20679	0.8
299.20145	5.6
301.21671	3.1
311.20026	1.9
313.21585	1.9
325.21677	1.6
327.23221	1.9
337.27316	1.4
338.27628	1.2
339.27982	1.4
365.24756	5.1
373.25247	0.8
391.26251	8.7
413.26865	1.8
419.29587	2.9
421.04678	0.8
427.28363	6.0
441.29825	0.8
444.90750	0.7
453.29849	1.6
483.24722	1.1
507.34741	9.2
519.34802	2.3
542.32452	3.5
581.39844	2.3
599.11780	3.3
599.40924	75.5
600.41162	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	599.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10260	0.8
53.03942	1.7
55.01865	0.9
55.05507	7.6
57.07076	4.5
58.95137	0.8
59.04998	2.4
65.03939	1.5
67.05505	10.7
69.03424	7.4
69.07077	6.0
69.98093	1.9
69.98433	1.3
71.04976	1.1
79.05505	10.2
81.07062	14.5
83.04982	8.2
83.08615	4.7
85.06538	4.7
87.04493	1.0
91.05482	19.0
93.07047	20.0
95.04975	11.1
95.08606	8.1
97.06534	5.1
103.05491	1.2
105.07034	27.7
107.08600	20.5
109.06519	8.3
109.10146	7.6
111.08092	2.6
113.09635	1.5
115.05484	2.6
116.06258	0.9
117.07017	7.3
119.04937	1.1
119.08584	22.1
121.06496	7.0
121.10146	22.8
123.08071	8.3
123.11742	2.8
125.06004	1.6
125.09644	4.0
128.06239	3.6
129.06996	7.0
130.07762	2.1
131.08574	13.9
133.06505	3.7
133.07486	1.1
133.10121	14.9
135.08037	8.6
135.11688	6.0
137.09621	5.5
141.07039	3.3
142.07779	7.5
143.08578	18.1
144.09296	4.3
145.06413	1.2
145.10127	20.6
147.08040	10.7
147.11681	4.5
149.09602	9.9
151.07545	10.3
151.11203	1.1
153.06993	1.5
153.09116	1.6
155.08551	7.5
156.09344	6.5
157.10126	21.5
158.10922	3.3
159.08049	6.8
159.11717	14.5
161.09651	8.0
161.13318	3.5
163.11195	4.9
165.07043	2.1
165.07771	1.3
165.09106	16.5
166.07817	1.1
167.08603	3.3
167.10660	12.1
168.09384	3.0
169.10123	14.8
170.10944	3.8
171.08051	1.5
171.11687	14.1
172.12476	0.9
173.09619	4.8
173.13242	5.8
175.11177	4.2
175.14824	2.4
177.09186	2.4
179.08568	4.4
180.09413	1.6
181.10194	6.9
181.12239	4.2
182.10947	4.0
183.11687	10.4
184.12477	2.0
185.09737	2.3
185.13248	6.5
187.11241	3.6
187.14871	2.8
189.12782	7.0
191.10837	1.6
191.14354	2.7
192.09442	1.5
193.10152	5.5
193.11916	1.3
194.10898	4.3
195.11700	8.2
195.13432	1.5
196.12483	2.5
197.09637	2.6
197.13266	9.0
198.10318	1.2
198.14018	1.0
199.11215	2.9
199.14870	2.8
201.12764	2.9
203.14330	7.0
205.10260	1.5
206.10976	2.6
207.11749	5.3
207.13857	7.4
208.12560	2.9
209.13319	10.4
209.15268	1.6
210.13869	1.2
211.11209	3.1
211.14763	5.3
213.12793	3.3
213.16479	1.2
215.14377	3.1
217.15800	1.4
218.10857	1.3
219.11696	2.6
219.13742	1.6
220.12430	2.1
221.13293	6.0
221.15314	29.8
221.17416	1.8
222.14001	1.4
223.11284	2.0
223.14905	5.2
225.12813	3.6
225.16374	2.8
229.12236	1.7
229.15854	1.0
231.11717	1.2
233.13237	3.5
233.15347	25.0
233.17606	1.5
234.14082	1.8
235.11143	1.8
235.14845	3.9
236.15656	1.4
237.12733	1.2
237.14725	1.7
237.16689	1.6
239.14401	1.6
244.12503	1.3
245.13210	2.4
246.14113	1.3
247.14851	2.8
247.17072	1.8
248.15681	1.4
249.16507	1.8
251.14191	1.7
253.15964	2.3
257.13263	1.5
259.14850	3.1
259.17313	1.1
261.16345	1.7
263.17969	2.0
267.17392	1.4
271.17136	1.7
273.18753	1.5
274.19305	1.6
275.17938	1.7
279.17682	1.1
281.19022	6.5
286.19308	3.3
287.20117	3.8
287.30322	1.0
295.20612	1.4
299.20212	2.6
307.20480	1.0
311.19986	1.1
312.21259	1.1
313.21957	1.1
319.20377	1.0
335.21866	1.6
347.23914	1.2
349.21664	1.0
351.23215	1.2
364.24207	1.9
365.24841	1.2
373.25171	1.9
377.24890	2.1
387.96262	1.0
391.26617	2.4
415.28323	1.9
441.30185	1.9
489.33801	3.6
507.34720	64.9
508.35156	3.0
520.35547	1.5
581.39844	6.1
599.40955	100.0
600.41443	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	599.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.5
55.05509	8.9
57.07074	4.7
59.04997	2.2
59.35595	1.1
59.98692	1.2
65.03917	1.9
67.05505	12.5
69.03432	7.9
69.07074	6.8
71.05012	1.4
77.03930	1.2
79.05498	13.7
81.03440	1.8
81.07066	14.8
83.04976	10.6
83.08613	5.0
85.06526	6.5
87.04494	1.4
91.05484	22.3
93.07047	24.0
95.04971	12.0
95.08605	13.1
97.06532	5.1
103.05418	1.3
103.50702	1.2
105.04573	1.5
105.07030	37.9
107.04943	2.9
107.07913	2.5
107.08597	24.6
109.06520	9.1
109.10171	9.0
111.08081	3.2
115.05485	1.6
115.47445	1.2
117.07011	8.4
119.08578	34.4
121.06523	7.5
121.10148	27.9
123.08066	12.1
123.11719	3.4
125.09650	5.7
128.06232	5.8
129.07011	8.6
130.07788	3.4
131.08563	15.8
133.06503	4.4
133.07471	1.4
133.10132	17.8
135.08080	12.2
135.11734	5.6
137.09631	6.1
139.07597	1.6
139.11194	1.8
141.07045	4.4
142.07765	10.3
143.08572	20.0
144.09387	5.9
145.10118	25.2
147.08032	12.5
147.11723	5.5
149.09613	9.9
149.13257	1.4
151.07544	13.0
151.11180	2.4
153.07126	1.5
153.09111	1.7
154.07785	2.1
155.08546	8.4
155.10744	1.4
156.09360	8.1
157.10132	26.3
158.10889	2.8
159.08083	7.8
159.11703	14.5
161.09604	8.8
161.13266	2.8
163.11237	4.9
165.06992	3.0
165.09100	13.7
167.08603	5.7
167.10675	13.3
168.09361	5.6
169.10120	13.5
170.10909	6.5
171.08144	1.9
171.11665	16.5
173.09590	6.4
173.13286	6.5
175.11122	6.4
175.14920	2.3
177.09105	2.3
177.12762	1.6
179.08586	4.8
179.10732	2.4
180.09366	2.5
181.10139	8.0
181.12251	4.4
182.10931	4.2
183.11699	13.3
184.12512	2.1
185.09680	3.6
185.13245	7.2
186.10304	1.4
187.11253	5.8
187.14833	2.4
189.12807	5.5
191.14226	2.5
192.09360	2.7
193.10168	5.8
194.10913	4.1
195.11694	8.5
196.12509	2.2
197.09726	1.6
197.13255	10.6
199.11198	3.0
199.14870	3.3
201.12744	2.5
203.14313	6.7
205.10129	2.6
206.11008	4.4
207.11726	9.9
207.13872	9.5
208.12462	3.6
208.14319	1.7
209.13307	8.7
209.15144	2.5
210.10374	1.9
210.14021	2.0
211.11269	2.1
211.14838	5.4
213.12772	2.9
213.16350	1.8
215.14339	1.9
218.10896	1.9
219.11667	2.9
220.12463	2.9
221.13312	6.8
221.15327	35.1
221.17445	2.2
222.13959	2.8
223.11273	2.1
223.14824	7.0
225.12791	4.7
225.16339	2.9
227.14381	2.2
229.10162	1.5
229.15958	2.2
231.11697	2.6
233.13206	4.7
233.15417	23.1
233.17616	1.7
234.13966	2.1
234.16129	1.7
235.14876	4.1
237.16599	2.0
247.14868	4.2
247.17090	2.7
249.16429	2.7
251.17973	1.5
259.14798	3.0
260.15533	1.7
261.16351	1.8
263.18161	2.3
265.15967	2.0
269.19012	2.9
271.17120	2.0
275.18057	2.3
281.18958	10.2
283.20651	1.4
286.19489	2.0
287.20227	3.1
289.19489	2.2
293.18893	1.8
299.20096	5.0
309.80240	1.4
311.20114	1.4
312.20993	2.1
337.21756	1.9
352.24011	1.8
364.23819	2.2
365.24847	3.1
373.25348	3.2
377.24811	2.3
377.58813	1.4
389.15433	1.3
391.26340	2.7
441.30768	2.3
450.80023	1.2
489.33481	2.5
493.33279	3.4
507.34671	63.2
508.35025	2.6
581.40057	5.0
599.40955	100.0
600.41376	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	600.265
Annotation	Unknow
Peak:m/z	Relative Intensity
60.88818	0.3
67.05512	0.4
69.12726	2.6
69.13118	0.7
79.05495	0.6
81.07022	0.5
85.02887	1.4
85.59534	0.4
91.05478	1.5
93.06993	0.5
95.04948	0.4
97.02880	0.8
98.22700	0.9
105.07005	1.1
107.04943	1.0
109.02832	0.5
115.05447	0.9
117.06983	0.6
121.06490	0.5
128.06192	1.5
129.06985	3.9
131.04898	0.5
131.08571	5.0
133.04974	0.5
133.06480	1.0
133.10078	0.5
135.04384	0.4
137.05991	1.4
141.06989	1.4
142.07745	0.7
143.08504	1.1
144.05678	1.7
145.06458	2.3
146.07225	0.7
147.04378	1.0
153.07022	0.5
155.06065	0.6
156.05763	0.5
157.06474	2.8
157.18349	0.4
159.08037	9.1
161.05991	1.3
161.09642	2.7
163.03873	2.2
167.07072	0.7
169.06314	0.5
169.07608	1.2
170.07249	1.7
171.08064	2.3
172.05202	0.5
173.05974	1.3
174.06857	0.6
175.07489	0.5
181.35931	0.5
187.07526	7.4
188.08382	0.5
189.05556	0.6
189.09117	4.1
193.08571	0.5
198.06657	0.7
199.07507	0.9
201.09109	0.8
203.07037	1.4
204.07806	4.2
205.08612	0.6
216.07785	1.1
217.08571	0.6
218.09529	0.4
219.10167	2.0
221.11755	1.6
231.10208	3.2
233.11609	0.9
234.08865	0.5
237.11261	0.5
249.11201	100.0
250.11545	2.6
251.12784	2.2
267.12256	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	600.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90096	0.3
61.02909	0.5
67.05495	0.3
69.03408	0.8
69.18168	1.6
70.06606	0.2
79.05490	0.3
81.03405	0.7
85.02929	2.0
91.05476	1.4
93.07030	0.5
95.08618	0.2
97.02905	1.2
105.07040	0.8
107.04952	1.1
109.02902	0.3
115.05469	0.9
116.06193	0.4
117.07000	0.8
119.04919	0.3
121.06617	0.3
123.04376	0.3
127.03922	0.5
128.06198	1.8
129.07001	4.7
131.04938	0.5
131.08560	5.8
133.06477	1.0
137.05952	0.9
138.06332	0.3
141.06950	1.7
142.07785	0.6
143.08545	1.1
144.05675	2.5
144.06602	0.3
145.04926	0.4
145.06503	1.3
146.07271	0.7
147.04387	0.6
150.09145	0.3
153.06960	0.5
155.05991	0.6
156.05658	0.5
157.06476	2.4
158.07248	0.7
159.08044	10.3
161.05956	1.1
161.09634	2.5
162.07643	0.3
163.03932	0.4
165.05557	0.4
165.86557	0.3
167.07065	2.2
169.06357	0.4
169.07747	1.2
170.07295	1.4
171.08023	2.3
171.09253	0.3
172.05142	0.7
173.05980	1.4
174.06749	0.8
175.07570	1.0
177.05473	0.4
180.08727	1.2
187.07547	8.7
188.08246	0.5
189.05438	0.7
189.09077	3.9
191.07062	0.4
193.08521	0.5
198.06703	0.5
199.07487	1.5
201.05469	0.4
203.07059	1.5
204.07805	4.3
205.08609	0.7
206.09343	0.7
207.06635	0.3
216.07852	1.5
217.08617	0.3
218.09332	0.6
219.10150	1.8
221.08107	0.6
221.11731	1.5
231.10178	3.1
234.08859	0.5
237.11191	1.0
249.11211	100.0
250.11572	2.7
267.12323	1.5
422.47171	0.3
486.37695	0.3
509.23105	0.3
600.26514	1.2
600.35504	0.4
610.92303	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	0.5
69.03419	0.5
69.17276	1.0
69.17686	0.7
73.90974	0.3
74.36129	0.3
81.03410	0.3
81.07058	0.3
85.02903	0.6
91.05464	1.1
93.06995	0.4
97.02878	0.9
97.49869	0.3
100.11240	0.3
105.07027	0.5
107.04926	0.7
115.05465	1.0
116.06216	0.5
117.06972	0.7
121.02883	0.3
128.06194	1.7
129.07001	4.7
131.04919	0.6
131.08553	5.4
133.06479	1.0
133.10109	0.6
137.05988	0.5
138.06262	0.3
141.07028	1.3
142.07753	0.8
143.08542	1.2
144.05663	2.2
145.06473	1.6
146.07262	0.7
147.04420	0.5
147.08092	0.3
151.03920	0.4
153.06978	0.6
155.06036	0.4
156.05688	0.3
157.06491	3.2
158.07251	1.0
159.08047	10.1
161.05923	0.8
161.09610	2.3
163.03882	0.4
167.07011	0.9
169.06398	0.5
169.07639	1.1
170.07230	1.9
171.08003	1.8
172.05206	1.1
173.05984	1.4
173.09673	0.3
174.06726	0.7
175.07526	1.0
182.15417	0.3
185.05936	0.3
187.07535	7.9
188.08272	0.4
189.05464	0.6
189.09077	3.9
190.06128	0.4
191.07039	0.4
192.07817	0.3
193.08501	0.4
198.06682	0.6
199.07555	1.3
201.05429	0.6
201.08955	0.3
203.06976	1.4
204.07808	4.7
205.08594	0.6
206.09244	0.5
210.14832	0.4
216.07744	1.3
217.08560	0.4
218.09288	0.4
219.10117	2.3
221.08223	0.5
221.11728	1.3
231.10162	2.7
233.11710	1.5
234.08957	0.3
237.11267	0.8
249.11203	100.0
250.11514	2.4
251.12721	2.1
267.12250	3.0
407.85364	0.3
599.41388	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
54.45768	1.0
55.05511	4.7
57.03437	1.3
67.05508	5.9
69.03420	4.7
69.07065	4.8
69.18446	6.4
71.04989	13.1
73.06541	3.1
74.00675	1.0
79.05488	10.4
80.05020	1.5
81.03407	4.7
81.07056	28.2
83.04966	1.1
83.08631	1.7
84.04507	3.0
85.02892	2.1
91.05470	9.0
93.07048	20.2
94.07362	1.0
95.04960	7.1
95.08618	8.8
97.02884	3.5
97.06545	1.7
99.01421	3.2
100.02210	3.3
105.04509	1.3
105.07041	5.4
107.04958	4.3
107.08595	13.2
109.02879	5.2
109.06512	3.5
109.10149	4.5
112.02195	4.0
114.03770	3.9
116.01707	1.7
117.07022	7.2
119.08580	3.6
121.02856	6.0
121.06488	2.4
121.10114	2.6
123.08070	1.3
125.02325	1.7
127.03928	3.5
131.04977	1.3
131.08560	3.0
133.10083	1.5
135.08061	2.4
135.11696	21.7
138.03696	1.1
139.03894	2.3
140.05283	3.8
145.04991	1.2
145.06487	7.9
145.10089	3.3
147.11688	2.0
149.02393	1.8
149.09642	1.5
149.13184	1.3
152.05244	1.5
153.12740	100.0
154.13075	1.9
155.06078	1.8
159.04431	1.2
159.11739	1.6
163.07507	3.3
163.11186	1.8
167.03336	1.9
168.08401	10.2
173.06009	7.8
173.13274	1.6
177.05524	1.5
191.07045	6.7
197.52713	1.0
202.04100	1.8
209.15508	1.5
219.06520	5.5
231.04375	2.6
237.07497	7.0
251.09285	1.2
254.91003	1.2
255.08125	2.2
264.14182	3.1
264.53979	1.2
269.10031	2.0
270.10272	4.5
275.20090	4.0
282.15219	20.0
311.07492	1.3
333.18628	1.5
350.21338	5.3
355.15131	1.3
363.10651	2.8
368.22528	5.6
377.12234	3.2
381.11737	3.8
384.16922	6.2
395.13254	1.8
453.24161	67.1
454.24493	2.3
525.26025	2.5
600.29791	6.1
601.22455	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41766	3.7
51.60231	3.5
55.01862	6.5
55.05499	15.3
67.05512	30.9
69.03439	3.8
69.07069	13.6
69.78354	11.5
71.04988	4.2
73.06551	3.5
79.05490	29.2
81.03400	4.7
81.07056	28.5
83.08611	15.3
85.02906	8.0
91.05476	40.4
93.07046	28.1
95.04952	15.0
95.08608	15.8
97.02908	4.6
97.06501	5.2
97.10174	6.1
103.05428	4.3
105.07035	25.7
107.04948	17.6
107.08592	17.3
109.06526	9.8
109.10125	7.7
115.05450	11.1
115.23174	4.4
117.07005	30.8
117.77972	4.0
119.04949	9.4
119.08592	15.6
120.35115	4.0
121.06537	10.4
121.10147	9.5
123.04466	4.4
128.06241	9.4
129.07005	37.3
131.04904	9.8
131.08559	22.2
133.06474	11.5
133.10162	6.7
135.04390	6.4
135.08031	5.9
135.11679	12.6
139.03879	5.3
141.06958	35.2
142.07823	5.0
143.04916	6.0
143.08582	16.5
145.06419	19.1
145.10117	13.0
147.04404	6.5
147.08076	6.7
149.05984	9.0
149.32797	3.6
151.03967	4.7
151.11176	6.4
153.06992	10.7
153.12753	29.6
154.07808	6.8
155.08527	41.2
156.27049	4.1
157.06470	20.4
157.10110	11.3
159.04373	8.7
159.08023	8.6
159.11723	5.8
161.05995	12.6
163.07547	4.5
165.05490	70.5
165.06973	10.7
166.07780	9.8
167.07135	5.6
167.08562	45.9
168.09331	5.7
169.06462	21.1
169.10156	25.5
171.08041	13.3
171.11751	5.0
173.05965	6.6
173.09622	8.9
173.13287	4.1
175.03877	5.3
177.05487	7.5
178.07820	4.5
179.08565	17.2
180.68687	4.0
181.06487	5.0
181.10056	27.6
183.08037	14.3
183.11763	8.8
185.05986	10.6
185.09665	15.7
187.07483	10.3
189.05428	5.9
191.08609	9.3
193.10123	15.0
195.08084	26.3
195.11765	4.6
197.06003	10.8
197.09634	14.2
199.07472	9.1
199.11165	3.8
205.10120	5.2
207.08168	5.1
207.11836	4.9
208.08698	5.0
209.09663	9.9
209.13139	6.3
211.07515	5.2
213.09021	8.5
213.12669	4.3
215.07135	5.3
221.09764	7.3
221.15604	3.5
223.07477	5.2
223.11220	4.8
229.12247	7.9
237.09253	4.4
237.12769	6.3
239.10677	5.4
255.13667	9.9
257.11761	8.2
261.16278	7.0
273.14859	21.6
275.16391	5.0
279.17422	18.3
283.13419	4.3
289.15817	9.6
291.17456	5.8
297.18436	32.0
301.14560	9.9
301.17899	5.4
305.17499	14.6
307.15631	48.7
309.18491	6.3
315.19473	9.3
317.15356	7.1
319.15460	7.7
325.17987	92.7
335.16479	45.4
339.19467	6.5
343.19089	24.6
353.17487	100.0
357.20602	8.5
367.19196	18.9
371.18506	35.7
385.20013	34.2
386.19931	4.1
389.19717	19.9
403.21271	18.4
471.16180	11.7
569.19800	31.6
601.22516	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	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.8
55.01859	5.6
55.05517	28.4
57.07071	7.5
65.03932	5.8
67.05503	48.3
69.03427	13.3
69.07074	21.7
71.04985	7.4
77.03902	3.5
79.05484	47.3
81.07059	55.7
83.04964	20.5
83.08620	18.3
85.06533	7.4
89.06040	16.4
91.05474	71.8
93.07042	75.1
95.04962	35.4
95.08605	48.2
97.06529	16.1
97.10177	7.8
98.23421	9.5
103.05473	6.0
104.83112	3.8
105.04499	4.7
105.07030	100.0
107.04947	9.4
107.08592	65.1
109.06503	19.7
109.10163	30.8
111.04398	3.9
111.08085	6.5
113.09655	3.8
115.05467	9.2
117.07019	31.6
119.04940	3.9
119.08582	90.1
121.06504	16.5
121.10150	51.2
123.08052	30.1
123.11721	8.1
125.09641	16.5
128.06219	17.9
129.07001	25.1
130.07790	7.1
130.69887	3.5
131.08563	47.7
133.06558	6.3
133.07602	3.7
133.08614	8.4
133.10127	54.2
133.30452	3.2
135.08034	19.9
135.11673	17.0
137.09634	16.7
139.11177	7.4
141.06993	12.7
142.07813	26.8
143.08553	48.6
144.09349	9.0
145.06488	7.2
145.10124	72.3
146.10873	3.6
147.08102	18.0
147.11716	27.8
149.09576	21.7
149.13275	4.7
151.07584	7.6
153.07050	6.2
155.08583	21.2
155.10666	13.8
156.09335	25.7
157.10118	59.6
158.10844	12.9
159.08044	16.0
159.11700	40.0
160.08960	3.9
161.09631	13.5
161.13248	11.3
163.11186	14.2
165.07021	10.6
165.09128	11.9
166.07800	5.8
167.08530	9.6
167.10652	19.8
168.09323	6.0
169.10141	31.0
170.10893	13.0
171.11691	41.9
172.08675	3.9
172.12416	4.4
173.09645	14.7
173.13249	24.4
175.11192	21.3
175.14795	9.9
175.45313	3.5
177.12663	4.5
179.08551	13.5
180.09393	8.2
181.10138	16.7
181.12268	9.8
182.10896	11.9
183.11679	32.8
184.12383	4.8
185.09616	5.8
185.13251	27.0
186.14180	4.3
187.11183	9.4
187.14774	7.1
189.12778	7.0
191.10754	4.4
191.14262	8.2
192.09373	6.0
193.10074	17.1
193.12146	5.6
194.10963	11.3
195.11736	27.1
196.12393	6.5
197.09601	5.5
197.13223	26.1
198.13918	5.0
199.11163	12.1
199.14778	14.3
201.12822	4.8
201.16312	3.7
203.14305	10.4
206.10815	6.3
207.11668	15.0
207.13573	4.3
208.12483	7.2
209.13307	22.4
211.14822	15.0
213.12767	9.6
213.16399	5.5
215.14334	7.2
217.15823	4.3
218.11043	3.6
219.11685	7.9
219.13817	5.8
220.12564	5.7
221.13237	12.6
221.15381	22.7
222.13924	7.0
223.11053	4.6
223.14876	12.3
225.12752	7.6
225.16350	9.5
227.14384	7.3
229.15894	6.0
233.13269	6.5
233.15378	20.3
235.14859	9.2
237.16492	11.3
239.14386	3.9
239.17941	5.2
241.15846	4.3
245.13260	5.1
247.14842	6.4
249.16432	7.2
253.15781	5.6
255.17496	27.4
257.18942	7.5
261.16345	7.1
263.17990	7.7
265.19574	3.1
269.18961	7.3
270.19836	4.5
273.18607	8.3
275.20120	16.2
276.20483	4.6
281.19092	3.6
291.19531	23.1
293.21213	3.8
295.20654	4.8
298.10965	3.7
299.20206	4.8
323.67877	3.6
347.23837	5.4
365.24713	5.6
373.25671	3.5
383.25879	7.4
467.30579	3.7
497.33768	4.5
513.17578	8.8
564.39191	4.3
582.38916	7.4
600.41077	19.3
601.22845	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	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.05505	19.2
57.07064	10.8
59.05002	6.5
65.03917	5.1
67.05499	30.4
68.46835	2.7
69.03428	15.7
69.07062	17.4
69.72438	2.8
70.07401	2.9
73.74070	2.7
77.03922	3.5
79.05493	35.0
80.06279	3.2
81.07054	36.4
83.04971	18.2
83.08607	8.7
85.06534	7.0
85.23165	3.3
89.06008	6.9
91.05473	58.0
92.06342	3.0
93.07037	68.5
95.04948	26.3
95.08591	32.4
97.06528	9.3
103.05448	4.6
105.04523	5.4
105.07025	100.0
106.07861	3.0
107.04957	8.3
107.08588	56.6
108.08860	3.4
109.06508	21.5
109.10136	18.5
111.04520	3.0
111.08085	6.6
115.05437	7.2
117.07004	26.7
119.07745	5.0
119.08582	95.2
121.06506	16.3
121.10140	33.7
123.08074	27.6
125.09636	7.2
128.06203	13.1
129.07005	23.7
130.07782	7.6
131.08556	44.9
133.06471	9.5
133.08589	5.6
133.10117	41.4
135.08022	24.4
135.11676	11.8
137.09595	13.4
139.07520	4.1
141.06982	10.9
142.07788	27.5
143.08575	49.3
144.09312	12.7
145.06424	3.2
145.10117	65.5
146.07280	4.1
147.08052	30.7
147.11688	15.5
149.09561	14.3
151.07536	19.1
153.06947	5.7
154.07718	4.1
155.08566	21.2
156.09355	26.0
157.10127	64.5
158.10892	8.8
159.08076	15.0
159.11696	31.9
160.08794	5.6
161.09578	19.1
161.13237	10.2
162.10318	4.3
163.11165	14.0
165.07014	7.1
165.09100	41.4
166.07745	4.2
167.08572	11.8
167.10648	8.6
168.09320	11.3
169.10109	23.0
170.10844	11.4
171.08099	4.0
171.11690	33.5
172.12439	9.7
173.09621	13.4
173.13243	13.7
174.10445	4.1
175.11171	28.5
177.09163	4.0
177.12704	4.0
179.08562	8.7
179.10721	6.1
180.09325	4.3
181.08685	3.2
181.10072	14.9
181.12170	10.2
182.10892	9.6
183.11703	22.3
184.08640	3.1
184.12349	7.2
185.13394	15.2
186.14001	5.6
187.11166	8.2
187.14740	5.0
189.12715	14.5
190.13495	8.2
191.10681	6.3
192.09303	5.4
193.10127	12.4
193.12253	9.7
194.10928	8.1
195.11679	28.6
196.12396	8.9
197.09605	6.0
197.13234	24.8
198.10321	2.9
198.13980	4.7
199.11131	8.9
199.14803	7.5
201.12711	9.2
201.16502	4.3
203.14337	25.8
206.10889	8.2
207.11656	16.7
207.13800	16.5
208.12621	6.2
208.14589	10.1
209.13219	21.8
209.15169	7.1
210.10173	3.4
211.11171	5.8
211.14783	13.2
212.11905	4.6
213.12685	10.2
217.10219	4.4
217.27498	3.2
218.10857	3.9
219.11754	6.7
219.13881	3.8
220.12526	6.9
221.13310	11.2
221.15349	87.8
222.10399	3.1
223.11214	4.8
223.14781	10.4
224.15640	3.9
225.12755	4.9
225.16370	4.9
227.14276	8.0
229.15929	6.0
230.12886	5.2
231.11577	5.0
233.13171	8.8
233.15369	18.1
234.13936	6.1
234.16098	10.9
235.14857	9.9
236.15504	4.0
237.12610	5.0
237.14665	32.6
239.14291	6.4
241.15845	5.1
247.14751	6.3
247.16960	9.7
248.14032	10.8
249.16345	7.6
250.15581	3.9
253.15840	7.8
255.17401	25.7
259.16974	4.2
260.34647	4.2
270.19778	7.3
271.16983	6.1
273.18665	5.4
274.16757	3.1
274.19360	22.5
279.17441	3.7
281.18829	7.2
285.18442	8.8
286.19211	13.8
287.19955	13.7
294.19916	6.6
295.20361	6.0
297.18524	5.0
299.20010	18.4
300.20618	3.4
303.19516	51.8
311.20050	4.6
313.21695	15.7
325.21558	11.5
337.21573	7.8
352.23962	89.3
365.24643	16.9
377.24808	7.3
383.25873	9.6
420.29932	4.9
459.51068	3.4
487.31848	4.4
502.34448	13.2
503.35040	5.0
505.33072	9.4
507.34488	13.9
520.35455	46.2
544.19080	4.5
600.41687	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	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14950	3.2
55.05502	17.1
57.07077	10.1
67.05495	27.5
69.03424	11.9
69.07063	13.4
69.45887	15.3
69.71145	3.2
79.05506	30.1
81.07052	39.5
81.88351	3.1
83.04974	16.0
83.08618	9.8
83.09119	3.2
85.06541	4.7
91.05486	49.9
93.07040	58.7
95.04970	20.8
95.08598	32.3
96.13681	2.9
97.06539	12.0
102.82825	3.0
103.05413	3.8
105.04554	4.8
105.07023	88.2
107.08588	52.2
107.09264	4.4
109.06499	15.8
109.10169	17.2
111.08109	5.4
115.05463	5.8
117.07007	23.3
119.08572	69.4
121.06509	13.9
121.10132	41.0
123.08084	17.2
123.11716	6.0
125.05988	4.0
125.09653	5.8
128.06235	11.5
129.06984	16.9
130.07779	9.5
131.08563	42.4
132.09386	3.7
133.06494	7.4
133.10124	34.0
135.08047	21.9
135.11710	9.8
137.09653	15.3
139.11121	3.9
141.07021	5.4
142.07770	24.3
143.08562	49.3
144.09348	10.6
145.06445	5.6
145.10126	56.6
147.08040	24.7
147.11713	13.4
149.09612	16.7
151.07559	14.4
151.11177	4.4
153.06972	3.9
155.08498	17.0
156.09328	16.9
157.10109	56.4
158.10860	11.9
159.08061	19.7
159.11690	33.0
160.08797	18.5
161.09593	22.4
161.13261	9.4
162.10352	4.2
163.11235	11.7
165.09102	43.2
166.07896	5.0
167.08549	4.7
167.10684	12.7
168.09357	6.7
169.10115	23.8
170.10939	14.1
171.08051	5.9
171.11681	37.8
172.12347	5.0
173.09621	9.6
173.13257	17.8
175.11137	25.7
175.14893	3.9
177.09143	5.3
177.12749	4.4
179.08574	9.4
179.10681	4.5
180.11473	3.7
181.10223	15.9
181.12239	11.3
182.10851	6.8
183.11699	26.9
184.12524	5.6
185.09659	6.0
185.13248	20.4
186.14047	3.2
187.11185	5.8
187.14793	7.2
189.12755	11.8
190.13495	16.0
191.14275	5.1
193.10153	11.7
193.12294	6.5
194.10954	5.2
195.11690	23.6
197.09785	6.5
197.11659	4.3
197.13339	21.6
199.11194	10.3
199.14862	9.5
201.12802	6.8
203.08656	5.6
203.14275	17.6
206.10825	4.9
207.11731	10.2
207.13843	13.4
208.12587	6.1
208.14557	9.1
209.13257	21.9
209.15331	9.1
210.13943	5.3
211.11270	6.5
211.14877	14.0
213.12781	9.0
213.16278	3.7
214.64267	3.4
215.10536	3.7
215.14368	6.6
219.11647	5.6
219.13797	5.7
221.13309	10.7
221.15311	93.1
223.11328	8.0
223.14839	10.0
225.12759	10.0
225.16417	4.1
227.14256	3.9
229.15829	4.1
233.13261	5.8
233.15363	20.8
234.14018	4.2
234.16122	14.6
235.14871	9.5
235.17105	3.5
237.12645	5.8
237.14699	36.2
239.14346	5.5
247.16989	11.4
248.14177	11.2
249.16341	5.0
253.15997	7.0
253.19496	4.2
255.14780	3.7
255.17435	29.3
259.14758	6.8
260.15732	3.4
261.16486	6.1
263.18124	6.6
269.18982	5.1
270.19766	8.9
271.17072	5.0
273.18771	4.5
274.19290	15.1
279.17511	7.0
281.19046	7.3
285.18546	6.3
286.19266	19.5
287.20108	8.9
294.19760	7.5
295.20618	3.9
298.19287	4.5
299.20105	15.7
303.19580	56.1
311.19919	4.5
312.20767	7.8
313.21576	14.4
325.21823	18.3
337.21564	7.4
352.23969	100.0
353.24448	6.3
365.24738	18.7
377.24725	4.9
383.25674	5.3
502.34192	8.8
503.35852	4.2
505.32770	8.6
507.34698	9.3
508.35281	3.4
520.35498	51.9
582.40894	6.9
583.40588	3.8
585.39215	6.1
600.41571	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20197	8.6
57.07079	13.1
69.16717	55.7
78.49335	9.6
79.05486	10.7
81.07057	12.6
83.04968	11.8
91.05465	16.9
93.07037	23.4
95.08600	15.5
98.23430	16.2
103.90653	9.5
105.07054	25.1
107.08600	20.8
119.08553	43.9
121.10159	14.6
131.08524	14.4
133.10156	15.2
135.08075	11.5
143.08543	12.9
145.10132	36.6
147.08067	18.2
149.09525	12.1
151.07529	11.4
157.10173	16.8
163.11188	13.0
165.09048	33.6
173.09720	10.2
175.11177	15.8
181.12268	21.1
193.12277	8.5
197.13254	13.7
203.14304	11.8
205.78430	9.9
221.15381	100.0
222.15701	15.8
234.16125	17.0
247.16931	27.3
287.19971	11.5
299.20175	10.9
309.64066	8.2
322.17188	9.8
325.21500	13.4
352.23956	24.6
365.64743	9.2
427.28421	20.0
440.29126	46.4
513.46594	10.0
520.35400	41.8
600.41101	27.8
600.55133	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	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	7.4
55.05513	8.7
57.07065	16.0
59.89740	7.4
64.22254	6.8
67.05512	10.5
77.32552	7.3
79.05497	17.8
80.99370	7.3
81.07054	26.3
85.06534	8.1
87.00793	8.5
87.90522	7.8
88.71738	7.0
91.05486	43.3
93.07023	38.4
95.04970	13.1
95.08610	35.0
96.00546	7.0
97.06558	9.8
101.46687	6.5
101.89954	7.0
104.81165	7.1
105.07020	66.6
107.08594	34.7
109.06522	12.0
109.10169	9.1
112.42276	7.9
117.07039	11.7
119.08571	87.6
121.06490	7.5
121.10158	28.0
123.08086	23.4
125.05998	11.2
128.06236	8.3
131.08582	25.5
133.10135	27.1
135.08070	25.1
135.11681	14.7
143.08557	30.4
145.10121	45.3
147.08049	33.2
149.09619	14.6
155.08499	11.2
157.10130	26.1
158.10742	11.2
159.11723	24.6
161.09697	13.9
163.11206	22.4
165.09106	53.9
169.10158	10.6
170.10857	13.9
171.11740	19.3
173.09503	13.5
173.13293	9.8
175.11192	22.7
181.12254	14.8
183.11760	11.3
185.13261	12.1
187.11209	11.1
197.13388	10.7
203.14383	27.2
207.13846	13.8
209.13483	8.7
219.13806	10.8
221.15335	100.0
233.15396	9.0
234.16098	15.2
247.17039	20.8
263.11377	8.3
287.20300	9.3
299.20035	20.9
311.20142	8.9
313.21826	8.6
325.21637	12.3
339.23196	10.1
340.23883	22.3
352.23962	27.9
425.26773	12.9
426.28333	9.2
427.28448	19.9
440.29181	43.9
467.12607	9.9
520.35449	38.3
520.68420	8.3
600.40985	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	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
53.71318	1.6
55.01864	2.4
55.05509	18.3
57.07065	7.4
59.05002	3.1
65.03954	3.8
67.05505	28.4
69.03424	11.9
69.07060	18.8
69.24515	10.0
71.04979	5.0
74.53111	1.7
76.13899	2.1
77.03904	2.6
79.05486	33.7
79.05888	2.9
81.07055	34.2
83.04971	18.2
83.08633	10.0
85.06544	8.6
87.04462	3.7
91.05479	55.6
91.06055	2.7
93.07047	58.9
95.04964	24.8
95.08607	29.8
97.06541	14.7
103.05486	6.9
105.04505	4.4
105.07027	100.0
106.07873	2.0
107.04990	4.3
107.08589	57.4
109.06532	15.7
109.10152	25.2
111.08095	5.2
115.05471	6.0
116.06224	4.4
117.07022	26.6
119.08579	76.0
119.90467	1.8
120.09348	3.5
121.06530	14.2
121.10152	46.2
123.08065	22.4
123.11684	4.6
125.05976	2.8
125.09610	10.3
128.06213	18.9
129.07014	26.6
130.07753	9.6
131.08569	46.2
132.09320	2.4
133.06509	4.6
133.10143	44.5
134.10936	2.9
135.08022	16.3
135.11646	9.4
136.08827	3.0
137.09648	10.1
139.11186	3.9
141.06982	13.6
142.07790	34.3
143.08551	53.1
143.09618	3.8
143.72366	1.9
144.09334	15.2
145.06508	7.5
145.10120	63.7
146.10803	2.4
147.08032	13.6
147.11694	17.9
149.09624	13.0
149.13252	3.0
151.07529	7.4
151.11194	2.0
153.07024	6.3
154.07773	6.5
155.08540	23.2
155.10681	7.0
156.09340	28.2
157.10133	62.2
158.07245	2.8
158.10921	12.6
159.08064	20.2
159.11700	38.5
160.08859	7.4
161.09612	16.1
161.13251	7.1
163.11189	6.2
165.07024	9.7
165.09114	6.0
165.12764	2.5
166.07825	4.3
167.08533	14.9
167.10669	15.1
168.09384	7.5
169.10136	29.4
170.10889	15.7
171.08109	3.0
171.11697	39.4
172.08836	3.1
172.12508	3.9
173.09616	9.0
173.13251	18.7
175.11217	14.8
175.14864	5.2
177.12703	3.3
178.07841	3.1
179.08507	16.7
179.14317	2.5
180.09329	8.1
181.10136	18.7
181.12253	3.5
182.10934	12.3
183.11679	28.3
184.12476	5.1
185.09645	7.4
185.13272	20.2
186.10384	2.0
186.14046	3.5
187.11214	6.8
187.14830	6.2
189.12772	7.3
190.13519	3.3
191.08696	3.0
191.14326	4.0
192.09373	6.0
193.10162	18.3
193.12204	4.5
194.10904	13.0
194.12608	2.1
195.11681	27.0
196.12437	8.3
197.09610	3.0
197.13258	27.0
199.11208	7.2
199.14822	12.5
201.12782	5.5
201.16370	2.2
203.14343	10.4
204.09267	2.2
205.10025	3.9
206.10909	6.8
207.11693	17.6
207.13802	5.1
208.12505	8.3
209.13251	23.1
209.15251	3.4
210.10542	2.1
210.14020	4.8
211.11287	5.5
211.14749	18.9
213.12923	9.4
213.16389	5.9
214.13463	2.7
215.14339	8.3
217.10194	2.6
217.12184	2.5
218.10812	3.8
218.16655	4.6
219.11729	5.1
220.12463	6.9
221.13246	13.3
221.15405	17.1
222.13913	4.2
223.11192	2.5
223.14772	14.0
224.15627	2.1
225.12761	4.5
225.16393	7.0
227.14336	6.3
231.11745	5.2
231.13812	2.3
232.12413	5.2
233.13246	8.4
233.15396	20.8
234.13969	3.7
234.16083	5.2
235.14804	12.0
236.15578	3.3
237.16403	10.5
239.14308	4.4
239.17967	3.1
241.15865	2.3
243.11563	2.8
243.17397	2.1
245.13208	7.3
246.14008	4.0
247.14819	8.1
249.16327	5.1
251.17964	4.9
253.15929	4.3
255.17448	26.8
257.13297	3.2
257.19000	2.3
259.14844	3.0
260.15720	2.1
261.16367	7.2
262.17032	1.9
263.17987	6.4
265.15921	3.2
265.19363	4.9
268.18243	3.6
269.19000	5.2
270.19794	7.2
271.17203	2.7
273.18585	6.0
275.17877	3.1
279.17505	3.8
281.19086	7.8
282.19836	2.6
283.20450	3.5
285.18707	3.2
286.19202	3.0
295.20493	4.4
297.18567	2.2
299.20135	3.4
307.20670	2.1
337.21729	2.5
347.23636	3.1
352.23944	5.1
365.24619	7.9
381.25961	2.2
383.26025	4.5
455.26218	1.9
520.34918	2.3
567.38275	3.3
600.41998	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	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33297	3.1
53.03949	5.1
55.05516	23.3
57.07068	8.9
65.03941	5.9
67.05502	48.8
69.03426	14.3
69.07073	34.0
69.30117	10.9
69.88457	3.0
71.04987	7.6
77.03918	6.4
79.05484	44.4
81.07059	50.4
83.04982	20.2
83.08624	21.3
85.06534	8.4
87.04466	5.1
89.06030	26.6
91.05482	77.7
91.06056	5.0
93.07040	78.2
95.04964	28.3
95.08603	44.1
97.06538	17.6
97.07030	2.9
97.10167	8.7
103.05455	7.3
105.04485	5.5
105.07026	100.0
107.04934	4.6
107.08589	71.6
109.06525	26.9
109.10144	42.9
111.08082	9.3
113.09631	3.8
115.05470	9.9
115.90981	2.8
117.07033	29.9
119.08584	85.4
120.09357	3.7
121.06518	14.2
121.10146	64.6
123.08058	30.2
123.11720	8.3
125.09642	15.4
128.06230	18.6
129.07019	29.3
129.09193	3.6
130.07780	11.0
131.08563	54.0
131.09477	6.1
133.06520	6.8
133.07623	4.8
133.08606	15.6
133.10129	47.5
135.08057	17.4
135.11717	12.4
137.09613	16.1
139.11203	4.4
141.06975	14.2
142.07790	33.1
143.08563	60.0
144.09305	12.7
145.06456	6.2
145.10117	66.3
146.07309	4.2
147.08037	20.2
147.11693	26.6
149.09627	20.5
149.13261	6.7
151.07549	9.6
153.06979	7.1
153.09071	3.7
154.07713	3.8
155.06032	3.9
155.08539	25.7
155.10681	9.9
156.09331	28.0
157.10136	70.6
158.10861	12.3
159.08075	17.7
159.11720	43.9
160.08833	4.7
161.09615	17.9
161.13289	12.5
163.11198	13.4
165.07002	12.4
165.09120	9.6
167.08569	18.7
167.10670	18.3
168.09329	8.8
169.10133	30.3
170.10925	16.7
171.08008	3.3
171.11676	43.9
172.08818	3.8
172.12405	7.0
173.09607	11.4
173.13271	25.1
174.10376	4.7
175.11182	21.4
175.14803	7.3
177.11212	6.4
177.12680	5.6
179.08553	13.3
180.09273	9.6
181.10110	18.8
181.12190	6.0
182.10889	12.5
183.11710	25.0
184.12491	5.8
185.09726	5.1
185.13248	32.1
186.10449	3.5
187.11195	7.8
187.14847	11.1
189.12709	9.5
190.13519	4.6
191.14320	4.9
192.09293	5.0
193.10138	23.6
193.11835	4.0
194.10925	10.6
195.11690	31.2
196.12488	13.5
197.09570	4.1
197.13248	30.9
199.11189	8.4
199.14880	15.4
201.12694	5.5
201.16385	3.9
203.14294	8.9
206.10924	7.0
207.11662	19.0
207.13657	6.9
208.12444	12.0
209.13268	30.4
210.14024	4.7
211.11191	6.5
211.14847	21.8
213.12799	10.0
213.16344	7.1
215.14294	8.7
217.10138	5.1
217.12141	3.7
218.16698	3.4
219.11804	7.5
220.12450	8.5
221.13239	17.6
221.15378	22.0
223.14778	15.7
225.12828	6.9
225.16405	11.9
227.14267	8.4
231.11694	5.5
232.12471	6.5
233.13234	10.2
233.15388	19.9
234.13948	4.3
234.16119	5.0
235.14799	11.1
236.15501	4.5
237.12711	6.7
237.16386	11.2
241.15802	9.3
245.13312	5.1
247.14764	8.4
247.24132	5.9
249.16470	8.8
251.14301	3.7
251.18008	5.7
253.19527	5.2
255.17470	31.8
257.19174	3.9
261.16339	6.2
263.17886	7.9
265.16006	4.1
265.19534	6.4
265.25290	9.4
268.18237	4.2
269.18997	9.5
270.19861	7.4
273.18588	7.1
275.20184	7.4
277.19760	4.6
279.17490	5.4
281.18994	9.1
283.20593	3.9
286.19626	4.9
287.20172	6.2
289.19519	5.7
299.20126	4.2
339.28903	11.4
347.23743	4.3
357.29861	6.4
365.24573	4.4
383.25616	9.2
415.25516	7.2
464.76126	3.6
582.39020	10.8
600.39850	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	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56421	2.2
55.05512	20.6
57.03448	2.9
57.07065	11.0
58.65857	2.1
59.05005	5.8
62.31578	2.2
62.44559	2.7
65.03955	3.9
67.05502	27.7
69.03428	16.9
69.07053	18.5
69.69949	9.6
71.04989	8.5
77.03918	3.7
79.05499	35.9
79.27676	2.3
81.07053	48.9
83.04975	24.8
83.08619	10.5
85.06547	10.0
91.05472	47.5
93.07047	80.2
95.04973	33.5
95.08603	47.5
97.06537	13.9
99.08115	3.4
101.91508	2.3
103.05427	3.1
105.07030	98.9
107.04922	5.7
107.08594	73.7
108.05727	3.4
108.36620	2.5
109.06500	28.0
109.10156	26.4
111.08092	12.2
115.05457	8.1
116.06245	2.8
117.07016	25.5
119.04929	3.6
119.06020	3.0
119.08580	91.7
120.09389	3.8
121.06492	19.3
121.10139	70.6
123.08060	38.5
123.11697	6.2
125.05968	7.7
125.09626	10.6
128.06200	17.6
129.07019	18.6
130.07825	8.8
131.08566	53.0
132.09373	5.2
133.06525	14.6
133.07417	2.9
133.10120	66.6
135.08049	30.1
135.11685	20.8
137.06000	4.6
137.09615	21.2
139.07504	5.8
139.11185	3.7
141.07001	9.1
142.07764	28.6
143.08563	64.2
144.09363	17.9
145.06505	3.5
145.10123	82.4
146.10881	6.9
147.08031	44.7
147.11659	25.4
148.08775	3.2
149.09601	27.3
149.13264	4.6
151.07542	25.1
151.11200	5.4
153.06995	5.3
155.08582	21.3
156.09332	20.5
157.10129	100.0
158.10930	14.1
159.08052	20.2
159.11685	51.9
160.08846	5.9
161.09618	30.8
161.13243	12.5
162.10356	3.4
163.11176	25.5
165.07043	5.8
165.09117	57.2
167.08583	10.3
167.10655	17.0
168.09366	8.6
169.10115	35.3
170.10904	14.9
171.08047	4.2
171.11685	57.2
172.12453	12.8
173.09627	17.1
173.13243	28.8
174.10379	3.6
175.11183	31.1
175.14803	6.3
177.09056	5.1
177.12805	7.4
178.07663	3.1
179.08565	9.8
179.10655	6.9
180.09242	3.8
180.11467	4.1
181.10085	25.1
181.12161	13.9
182.10881	11.3
183.11678	32.6
184.12376	7.1
185.09639	10.2
185.13266	31.9
186.10320	3.1
186.14047	4.3
187.11201	15.1
187.14766	11.1
188.11919	3.7
189.12741	16.5
190.13568	14.4
191.10629	2.9
191.14275	4.8
192.09410	5.4
193.10385	17.4
193.12265	17.0
194.10890	11.4
195.11682	41.3
196.12450	6.4
197.09602	5.6
197.11662	2.8
197.13269	32.4
197.66130	2.8
199.11241	14.9
199.14772	17.1
201.12744	12.6
203.14328	35.5
205.10274	2.8
205.12366	4.0
206.10863	6.0
207.11711	22.6
207.13835	19.8
208.12483	11.7
208.14569	11.4
209.13280	30.8
209.15228	5.9
210.14046	7.7
211.11160	6.4
211.14760	17.6
212.11900	4.5
213.12703	15.7
213.16368	8.8
214.13583	2.8
215.14230	12.0
216.15022	3.0
217.10205	3.2
217.15891	6.3
218.10861	3.0
218.16711	2.8
219.11659	8.4
219.13779	6.8
220.12453	5.9
221.13245	21.0
221.15308	100.0
222.13885	5.1
222.15825	3.4
223.11200	5.8
223.14848	18.5
224.15591	4.3
225.12732	9.5
225.16417	11.1
227.14325	7.5
229.15903	6.4
231.11710	6.0
233.13196	10.3
233.15382	34.3
234.13985	5.2
234.16110	16.6
235.14857	19.4
235.16873	3.9
236.15567	4.5
237.12683	9.5
237.14851	35.8
237.16803	6.0
239.14305	7.2
239.18044	4.9
241.15854	6.1
243.13995	4.1
245.13210	5.5
245.15466	4.0
246.13983	5.7
247.10999	3.1
247.14815	7.0
247.16982	8.5
248.13805	13.6
249.16414	11.2
250.15768	4.6
251.14320	6.8
251.17975	4.2
253.15823	8.4
255.17415	35.1
259.14667	6.2
259.17072	5.3
260.15543	4.0
261.16388	11.5
263.18048	5.4
265.15927	3.4
265.19623	3.0
267.17697	3.6
268.18140	5.0
269.18982	6.1
270.19778	11.2
271.16937	9.3
273.16034	3.9
273.18491	8.0
274.19342	17.5
275.17719	3.5
279.17380	7.1
281.19067	10.3
281.22189	2.6
283.16916	3.0
285.18506	8.8
286.19421	14.5
287.20261	11.7
291.19812	5.5
293.19019	5.9
294.19598	5.6
295.20667	5.1
297.18332	5.4
298.19269	2.6
299.20084	18.2
300.20953	2.9
301.19232	3.3
303.19556	59.9
304.19867	3.6
307.20593	3.4
310.19235	4.0
311.20013	3.7
312.20660	4.3
313.21628	12.6
315.21182	3.2
319.20447	4.0
325.21640	18.7
337.21716	14.2
347.23492	4.4
352.23956	99.5
353.24313	5.6
359.23630	4.7
365.24747	22.3
377.24774	7.8
378.25388	3.2
383.25790	8.7
420.30591	3.3
475.50803	2.9
487.32013	5.3
502.34064	13.8
503.35339	9.2
505.33182	6.3
507.34668	10.7
508.34631	2.7
520.35449	56.4
521.35791	3.3
582.40515	2.7
585.39368	3.8
600.41290	30.4
601.41693	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	601.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80565	0.5
55.05514	0.6
67.05497	1.8
69.07063	0.9
69.62091	1.9
79.05468	1.2
81.07065	2.3
91.05478	0.6
93.07054	0.8
95.08620	1.0
105.07030	1.2
107.08607	1.3
115.03688	3.7
119.01940	0.5
119.08582	1.0
121.10165	0.8
123.11687	0.6
126.23413	0.4
131.01917	0.5
131.08641	0.5
132.00829	0.6
133.03444	1.1
149.02097	1.2
159.11711	0.7
170.10596	0.5
185.02960	0.8
201.06136	0.6
230.99368	5.0
240.89299	0.6
242.08200	0.6
249.00612	3.0
272.01938	0.5
281.01703	0.7
294.85577	0.5
301.20117	3.8
323.03873	0.7
335.25983	0.5
341.05112	12.8
357.23819	0.7
359.04776	0.5
375.25052	100.0
376.25241	3.3
417.26208	0.6
431.30133	0.5
503.29834	1.7
518.84967	0.6
540.16296	0.6
541.23071	1.1
583.25494	5.1
600.40820	1.2
601.26135	9.2
601.35742	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52269	0.4
51.61052	0.3
69.03429	0.4
69.22122	2.0
79.05527	0.4
79.70560	0.4
84.26514	0.4
93.07086	0.5
95.04926	0.4
98.04749	0.3
107.05001	0.5
113.02108	0.4
129.86636	0.3
137.05968	0.7
159.04437	0.4
185.04266	0.4
201.03748	0.8
203.05244	5.9
243.17102	0.4
261.18237	0.8
277.17572	0.3
343.49435	0.4
421.21954	10.3
422.22546	0.5
423.23529	27.4
424.24048	1.4
439.23138	3.3
458.20221	1.9
479.45444	0.4
601.28259	100.0
602.28534	6.5
602.37329	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	1.1
53.03946	3.8
55.01875	9.3
55.05256	1.8
55.05507	20.9
57.03430	16.5
57.07073	2.0
59.69106	1.1
65.03933	3.1
67.05502	41.1
69.03407	3.3
69.07069	11.5
71.04980	4.0
77.03921	1.5
77.50496	1.1
79.05492	33.2
81.03409	4.8
81.06562	1.8
81.07049	36.8
83.04977	5.6
83.08617	13.6
85.06539	11.4
91.05478	34.6
93.07041	31.0
95.04965	58.2
95.08604	23.5
97.06522	7.0
97.10168	6.4
98.22633	2.4
99.04430	1.1
99.08104	1.3
103.05472	1.7
105.04522	2.1
105.06347	2.2
105.07024	32.0
106.07281	1.9
107.04955	11.3
107.08588	24.9
109.06511	43.7
109.10156	9.0
110.10484	1.2
111.04448	1.8
111.08055	3.8
113.06004	35.2
115.05469	2.4
117.07002	15.2
119.04904	1.6
119.08575	27.5
120.08878	2.2
121.06499	5.4
121.10120	12.7
123.04443	1.5
123.08080	6.8
123.11662	1.9
125.09613	5.2
128.06200	3.2
129.07025	9.7
130.07761	2.3
131.08559	21.1
132.08896	1.6
133.06450	3.2
133.10146	16.7
134.10687	1.2
135.08035	38.7
135.11687	9.4
137.05972	2.3
137.09608	4.0
139.11197	1.5
141.07013	2.6
142.07767	4.5
143.08575	10.7
145.06477	2.5
145.10115	24.0
146.10480	2.1
147.08015	7.6
147.11661	9.0
149.09608	21.2
149.13275	3.6
149.37839	1.1
151.07494	2.1
151.11118	2.3
155.08548	3.9
156.09352	1.7
157.10126	11.3
158.10500	1.9
159.08014	2.6
159.11697	14.1
161.09641	7.5
161.13232	3.9
163.11191	17.6
165.09077	4.8
165.12836	1.3
167.08559	1.5
167.10593	3.0
169.10098	3.6
170.10797	1.3
171.11684	7.2
172.12048	1.5
173.09645	3.0
173.13222	5.9
175.11110	5.5
175.14847	2.4
177.12715	5.0
181.10068	1.6
181.12242	2.1
183.11658	5.1
185.13245	4.5
186.13834	1.1
187.11139	3.0
189.11195	5.0
191.10564	1.7
193.12209	8.3
195.11627	2.8
195.13600	1.5
196.12090	1.4
197.13191	2.6
198.13635	1.3
199.11110	2.0
199.14815	3.6
201.12733	2.3
201.16434	1.5
203.14305	2.4
205.12045	1.4
207.11772	2.4
207.13734	2.1
209.13239	2.0
211.14763	3.0
217.15834	10.6
221.15367	5.8
222.15790	2.2
223.13223	19.5
223.15242	1.6
227.17946	1.7
233.15372	3.0
234.16035	1.3
237.14612	1.4
239.17964	3.0
241.19357	1.9
255.17389	3.8
257.18964	4.1
259.20529	3.4
273.18463	26.6
275.20084	36.1
287.19693	1.8
289.18134	3.0
291.19516	100.0
292.19937	3.1
293.21075	21.7
303.19452	2.0
304.19882	2.0
309.20416	1.6
352.24045	1.7
353.24414	3.5
382.40408	1.4
521.35559	2.1
583.40338	2.7
601.42291	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	602.245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.9
55.01869	5.6
55.05496	4.2
57.03433	4.5
67.05499	9.3
69.03446	17.8
69.06718	4.1
69.07072	62.5
69.09245	22.6
71.05001	4.9
71.08630	4.5
79.05484	14.0
81.03420	9.1
81.07049	10.8
85.02903	22.1
91.05479	13.3
93.07073	8.2
95.04961	20.5
95.08620	5.9
97.02888	17.8
97.06532	93.5
98.23417	8.5
105.03403	4.4
105.04518	4.2
105.07027	18.3
107.04943	12.7
107.08578	8.3
109.02865	6.6
109.06486	5.4
109.10144	5.5
112.37673	3.8
114.09161	8.3
115.05460	5.5
117.07018	12.6
119.04948	8.6
119.08556	7.3
121.06537	4.3
121.10163	5.7
123.04417	13.1
123.07984	3.7
124.07571	4.8
127.03918	13.5
128.06216	9.7
129.07001	14.7
131.04909	7.2
131.08568	8.5
133.02872	8.2
133.06477	18.8
135.04420	14.9
135.08011	6.0
137.05949	31.6
137.09586	8.9
138.09125	5.9
139.03889	6.4
141.07025	7.8
142.08653	18.0
143.08516	8.6
144.05687	4.2
145.06485	8.7
145.10106	4.9
147.04431	7.9
147.08032	7.5
149.06000	6.4
150.05496	9.1
150.09232	4.0
151.03914	42.4
151.07578	6.2
153.05469	36.9
155.08556	9.1
157.06479	15.9
157.10201	9.0
159.04437	6.0
159.08034	8.4
159.09312	3.6
161.05977	10.5
163.03902	18.4
163.07535	4.7
165.05489	92.4
165.06816	6.2
165.09157	11.2
167.07051	91.9
167.08421	4.6
171.04517	4.2
171.08037	39.6
173.06004	10.6
173.09622	11.2
174.06734	5.9
175.03844	5.5
175.07561	14.6
178.08783	4.1
179.03297	5.4
179.07056	6.6
181.10040	4.8
183.08092	10.8
185.05965	8.9
185.09605	8.7
185.13284	8.4
187.07547	10.5
189.05530	4.8
191.07004	5.2
193.08621	15.4
193.10167	5.0
195.08075	8.9
195.10046	4.7
197.08086	6.1
203.06923	17.1
204.10214	5.3
205.04909	5.7
205.08549	4.2
211.07503	9.2
211.09663	18.3
213.09132	13.1
213.12788	11.2
215.07091	17.0
227.10698	4.9
228.10214	4.0
229.05009	4.4
229.08525	8.2
231.10190	5.8
233.08073	6.5
239.06963	7.8
239.10852	4.1
241.08755	18.0
243.13889	3.9
247.09642	6.0
249.07471	6.3
250.10722	8.2
253.12215	7.7
255.13876	5.7
257.04401	4.5
257.08051	14.6
257.11786	7.2
259.06250	6.8
259.09674	77.5
267.10468	5.0
271.13321	6.4
273.11148	10.9
277.07285	4.7
278.13876	8.6
281.11737	8.2
282.14993	5.3
283.13446	6.1
284.09070	4.8
284.12772	3.9
285.07516	16.1
285.10925	7.1
299.12753	9.9
301.14304	9.3
302.10193	11.7
303.08588	26.5
303.11996	7.2
309.11227	10.0
310.14420	9.7
311.12793	5.5
315.15894	3.7
316.11652	4.6
317.10211	11.6
317.13831	11.6
320.11313	7.9
321.09790	8.7
326.13800	8.5
327.12280	23.5
328.15433	14.8
329.13791	36.9
334.12851	6.4
335.11215	5.1
337.10596	6.6
343.15393	6.1
344.14795	5.4
345.13303	21.8
347.14810	11.7
352.13828	4.4
354.13397	20.0
355.11710	21.7
358.16043	4.2
359.14847	10.8
363.14380	4.8
365.10532	14.2
368.14816	8.4
372.14429	53.2
373.12726	56.4
377.15771	5.0
386.10901	6.6
386.15933	88.6
387.14264	23.4
390.15521	48.5
391.13907	53.4
404.17059	100.0
405.15289	27.5
408.16440	13.1
422.18124	73.1
423.17538	4.5
423.23727	5.1
440.18921	9.5
467.01825	3.7
602.28687	46.0
603.21948	4.0
603.29810	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	3.6
55.05506	3.2
55.76614	2.8
63.87728	2.7
65.03937	17.1
67.05509	6.5
69.03418	7.1
69.07061	4.9
71.45360	2.9
79.05486	6.6
81.03387	6.5
81.07059	14.0
83.04962	3.2
85.02922	5.4
85.06515	3.1
86.09707	6.1
91.05466	8.9
92.46426	2.6
93.03384	9.7
95.01328	3.9
95.04947	14.0
95.08569	9.0
97.02834	4.1
97.06516	7.0
98.09666	5.6
104.10706	11.0
105.07030	6.4
107.04955	12.4
107.08601	4.6
109.02841	3.6
109.06507	4.7
109.10145	7.0
110.03655	13.2
111.04427	16.1
119.04927	9.9
121.02847	19.5
121.06501	3.1
123.04427	5.3
125.02466	3.0
125.05973	18.2
127.03922	4.4
131.04919	4.3
133.06540	3.9
137.05972	11.5
138.03104	3.6
142.12265	6.6
145.10237	3.2
147.04382	7.5
149.05957	3.6
151.03835	10.3
151.07527	6.0
153.01779	4.5
153.05444	100.0
159.08112	4.8
161.05940	8.4
163.03880	11.5
163.07529	3.9
167.07043	11.3
175.07716	3.6
177.05515	6.5
179.07011	5.9
179.08484	3.0
181.05011	2.9
191.07002	4.4
197.08115	3.8
201.05522	3.2
209.07893	5.6
211.49777	3.3
215.06934	5.6
216.07814	9.6
236.08182	4.1
238.68942	3.1
239.07065	4.7
243.23137	4.3
247.09645	8.0
251.10808	4.7
253.08554	14.9
259.09579	17.4
265.08759	3.2
269.11539	3.6
271.05911	5.2
279.10123	4.1
282.08932	4.3
287.05478	56.2
288.05771	5.3
294.71204	3.3
297.11215	9.5
307.09497	10.4
325.10645	51.8
339.12201	14.8
340.13068	4.0
341.13849	3.8
357.13266	59.3
369.13422	8.4
407.49673	2.8
423.19937	3.9
440.10712	6.1
440.29947	5.2
441.20993	5.6
514.67737	3.7
601.34442	3.5
602.27905	9.1
602.35974	5.9
610.84540	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	603.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
55.01877	11.3
55.05514	28.1
55.21753	1.4
56.86810	1.5
57.03436	3.2
57.07075	2.1
65.05262	1.3
65.16640	1.4
65.26549	1.6
67.05506	47.3
69.03413	3.8
69.07072	16.4
69.95921	4.3
71.05000	2.9
71.08634	23.4
79.05492	57.1
79.05952	3.5
81.03418	8.0
81.07056	82.2
83.04977	13.0
83.08619	21.5
85.02909	2.1
85.06538	1.8
91.05475	41.4
93.07050	60.1
95.04966	30.6
95.08607	37.5
95.09211	2.1
97.06530	11.4
97.10169	18.9
99.08088	16.6
103.05510	1.7
105.04534	3.0
105.07027	35.2
107.04952	14.4
107.08591	40.8
109.06512	11.4
109.10155	18.9
111.04436	5.8
111.08091	6.0
117.07026	15.3
119.08578	33.8
121.06528	7.0
121.10152	32.1
123.08073	9.2
123.11699	2.1
125.09628	12.6
128.06293	2.6
129.06989	7.2
131.08565	16.4
133.06552	2.6
133.10136	15.9
135.08052	7.5
135.11694	30.2
137.09621	5.2
139.11189	2.2
141.09137	4.3
143.08568	4.8
143.43491	1.5
145.10133	18.3
147.08067	8.9
147.11649	8.6
149.09607	13.7
149.13219	8.2
151.11191	6.9
153.09119	5.6
153.12761	2.1
155.08611	1.7
157.10117	5.8
159.08055	1.5
159.11693	8.7
161.09645	5.2
161.13264	9.5
163.11185	15.7
163.14714	2.7
165.09137	5.7
167.10680	3.7
169.10120	2.0
171.11664	3.9
173.09622	1.7
173.13306	3.2
175.11255	4.0
175.14793	1.8
177.09216	1.9
177.12741	5.9
179.14314	89.9
181.12280	2.1
184.30931	1.7
185.13261	5.2
189.11198	11.0
189.12793	3.9
189.65527	1.5
191.10609	3.0
193.12247	6.5
195.13853	1.7
203.14339	1.7
221.15245	3.3
223.13365	9.1
227.12822	3.5
227.17740	2.8
249.14812	3.7
255.17435	4.7
257.18909	2.3
259.20535	4.4
263.94162	1.5
273.18524	24.9
275.20044	18.8
277.18561	3.3
277.21631	69.4
278.21991	1.5
291.19550	100.0
292.19977	3.4
293.21161	18.9
295.22583	1.7
309.20779	4.4
311.22263	1.6
514.35602	2.0
603.36786	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25064	0.3
51.90283	0.3
52.87568	0.3
56.05027	0.9
58.06592	0.5
60.07874	0.4
60.08162	7.6
69.68572	0.6
69.68964	0.6
71.07372	3.9
71.93633	0.3
79.05470	0.6
81.07039	0.4
86.09703	37.1
93.07040	0.5
95.08601	0.3
97.49547	0.3
98.98458	3.7
104.10741	4.9
107.08572	0.5
115.50385	0.2
124.99998	24.1
143.01109	0.3
153.01802	0.5
168.80067	0.3
184.07332	100.0
185.07707	0.7
249.18713	0.3
258.11252	0.3
319.26102	0.4
347.25772	3.8
365.26834	3.2
421.29468	9.7
422.30038	0.4
425.15918	0.9
545.28772	5.1
586.34747	1.0
604.36060	7.3
605.23773	0.5
605.36536	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.2
59.12009	0.5
62.06098	0.5
67.05489	1.4
69.03419	0.9
69.07064	1.5
71.08633	4.8
71.43838	0.7
72.04082	0.6
72.08142	1.7
79.05494	1.3
81.03403	0.6
81.07056	2.7
82.31460	0.6
84.08148	1.0
85.02901	1.3
86.06078	6.0
86.09710	1.8
91.05489	1.1
93.07041	0.9
93.56641	0.6
95.08608	1.7
96.08141	2.9
97.06528	0.8
98.06061	0.8
98.09686	2.2
99.08078	1.9
103.02433	0.6
105.07001	1.4
107.08616	1.1
108.08112	1.5
109.08884	0.6
114.09144	0.5
116.10727	19.9
119.08620	1.0
122.09641	1.3
123.11702	0.7
124.07617	0.7
125.00011	0.9
131.96114	0.6
133.10085	1.0
136.11172	1.1
143.10675	2.3
147.11655	2.3
154.15923	2.6
161.98097	0.5
164.14294	0.5
165.12946	0.6
166.15901	1.6
168.17430	0.7
170.43654	0.6
184.07314	4.2
196.16948	6.5
214.18015	100.0
215.18343	2.1
268.09418	0.6
269.10577	1.2
270.10938	0.9
282.24350	1.1
284.22189	0.6
301.60724	0.7
308.22052	0.8
326.23047	1.2
344.24316	14.1
353.08411	2.1
355.09604	0.7
376.23325	1.6
383.09451	1.0
398.89319	0.6
424.30664	0.7
442.31625	12.7
443.31705	0.7
451.12198	4.1
453.13333	1.0
495.92416	0.6
506.29602	2.2
582.97546	0.7
604.16815	1.2
604.25275	0.8
604.36450	3.8
605.25775	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	604.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01867	3.4
55.05511	24.5
57.03436	1.8
65.03938	1.5
67.05504	27.4
69.03455	1.9
69.07064	11.0
69.09586	2.0
69.09982	7.8
71.04977	1.6
79.05492	26.4
81.03422	4.2
81.07059	27.7
83.04972	5.8
83.08616	17.0
84.57972	1.1
91.05480	30.8
93.07046	27.2
94.92007	1.2
95.04961	21.8
95.08602	18.6
95.58116	1.3
97.06521	4.5
97.10165	5.6
103.05451	1.9
105.04529	1.9
105.07027	32.5
107.04972	6.5
107.08597	15.2
109.06517	3.9
109.10149	10.5
111.08085	4.4
117.07005	14.4
119.08585	25.3
121.06510	4.4
121.10125	11.2
123.08089	4.2
123.11681	2.5
125.09640	4.2
129.06998	5.6
130.07782	2.6
131.08562	17.8
133.06509	1.3
133.10130	21.5
135.08023	3.6
135.11679	4.9
137.09616	3.6
139.11177	2.4
141.07034	3.0
143.08553	4.5
145.10124	15.3
147.08026	2.6
147.11679	10.3
149.09604	18.1
149.13293	1.2
151.11218	2.8
155.08557	5.6
157.10121	5.1
159.11691	10.6
161.09677	1.4
161.13287	4.0
163.11185	22.3
165.12794	2.5
169.10130	3.6
171.11719	3.8
173.09691	1.4
173.13269	4.0
175.11078	1.9
175.14816	1.9
177.12744	2.5
183.11742	5.2
185.13245	1.7
187.11305	1.5
189.11224	2.4
189.12791	1.7
191.14481	1.2
193.15894	1.5
197.13272	3.5
213.16266	1.6
223.13249	16.0
223.14900	1.3
229.19690	3.0
231.21082	1.6
232.51653	1.2
239.17972	9.3
247.16968	1.5
247.20413	2.1
257.19016	12.8
259.20715	5.9
275.20068	100.0
276.20502	6.0
277.21619	13.9
293.21136	31.9
301.21667	3.4
423.32718	2.6
441.33545	2.6
533.39563	1.4
551.40887	4.0
569.42017	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	604.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96097	2.7
53.03948	3.8
54.21889	2.8
55.01883	4.1
55.05502	19.9
57.07068	3.7
67.05505	35.5
69.07069	14.1
69.20741	12.8
77.03922	4.1
79.05492	40.0
81.03452	3.3
81.07060	55.1
83.05000	3.8
83.08617	17.4
91.05482	46.5
93.07043	34.7
95.04986	19.0
95.08595	22.7
97.06569	3.7
105.07037	51.8
107.04980	8.9
107.08577	21.6
109.06509	11.3
109.10163	11.1
111.08054	4.0
117.07035	12.0
119.08585	41.1
121.10155	22.2
122.52682	2.7
123.11698	5.9
125.09706	5.2
128.80775	3.1
129.07016	3.4
131.08575	22.5
133.10127	37.9
135.07991	3.4
135.11697	15.2
137.09595	4.5
142.25835	3.7
143.08591	5.2
145.10139	18.7
147.11690	39.7
149.09657	16.9
149.13338	5.7
151.11285	4.6
157.10176	7.9
159.11674	15.9
161.13268	11.9
163.11180	15.0
171.11725	6.5
173.13277	9.6
175.11244	4.9
175.14922	5.2
183.11780	4.1
184.15546	3.0
185.13254	5.0
187.14876	3.1
196.88504	3.0
201.12993	3.3
213.16454	5.0
215.17976	3.9
223.13249	7.7
231.21021	5.0
235.16940	5.5
239.17923	6.5
241.19595	15.5
247.20467	3.1
257.18979	14.9
259.20596	46.5
275.20093	100.0
276.20538	8.9
277.21628	16.7
293.21103	33.4
294.21536	5.8
299.13113	3.3
332.61224	2.9
448.35855	3.3
533.40137	5.0
534.49579	3.8
537.95947	3.7
551.41113	7.5
569.41956	4.8
605.36481	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01878	7.4
55.05511	28.8
57.03431	3.2
67.05506	29.5
67.05866	1.9
69.03427	4.2
69.07066	9.9
70.59679	2.1
71.05011	2.7
79.05493	31.3
81.03412	4.3
81.07055	68.2
83.04980	9.0
83.08620	19.2
85.02879	1.7
85.06584	1.5
87.10109	1.1
91.05476	21.5
92.52325	1.2
93.07043	25.7
95.04969	18.2
95.08605	19.0
97.06539	3.3
97.10168	31.7
98.10421	1.2
99.04417	1.2
103.05471	1.7
105.07027	16.9
105.73302	1.2
107.04330	1.2
107.04931	6.7
107.08589	22.7
109.06514	7.9
109.10150	12.6
111.04448	11.0
111.08103	5.9
117.07018	14.6
119.08587	30.3
119.94798	1.1
121.06507	10.0
121.10137	17.0
123.08060	13.7
125.06034	1.1
125.09621	24.3
129.07014	6.7
131.08568	14.7
133.06526	3.5
133.10132	10.9
135.08054	8.7
135.11705	9.2
137.09608	5.9
139.11166	1.7
142.07733	1.2
143.08568	5.1
145.06479	1.8
145.10121	22.5
146.10478	1.4
147.08046	20.2
147.11690	4.1
149.09598	7.8
149.13289	2.4
153.09105	7.4
153.12720	6.0
155.08488	2.0
157.10144	4.9
159.08092	3.7
159.11685	7.1
161.09619	5.4
161.13301	2.7
163.11183	15.9
165.09137	8.0
171.10283	1.8
171.11700	4.5
173.09659	4.5
173.13293	3.6
175.11156	2.2
177.12733	2.3
181.12222	6.9
185.13271	3.0
187.14780	1.6
189.11232	15.1
189.12804	2.3
191.10628	7.0
193.12370	1.5
195.11670	2.0
197.13332	1.5
199.11185	1.6
199.14813	1.4
203.14339	1.6
207.13840	1.7
209.11690	2.5
209.66116	1.1
213.12698	2.2
217.19698	1.1
223.13127	6.2
227.12706	6.3
227.17973	2.8
245.18959	4.0
249.14822	4.0
255.17357	3.6
261.22128	3.5
273.18457	25.8
275.19894	1.4
277.21741	1.8
290.76526	1.2
291.19537	100.0
292.19879	3.0
309.20636	5.0
321.78162	1.0
533.40198	1.7
551.40948	2.4
569.42065	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	605.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
68.46666	0.5
69.07042	0.7
69.63201	1.4
71.04964	0.7
81.07062	1.7
86.09726	1.1
91.05492	0.6
93.07031	1.3
95.04987	0.6
95.08587	1.0
105.07014	1.0
107.08588	1.0
125.00010	0.6
138.02928	0.8
148.30403	0.5
163.03752	0.6
171.00607	0.5
183.02675	0.8
184.07281	0.7
215.06955	0.5
221.04129	0.6
257.64938	0.5
291.08560	0.7
323.07291	1.0
325.08960	1.1
339.06769	1.0
349.05267	1.5
351.06717	0.7
353.08408	12.8
354.09207	0.7
355.09991	7.4
374.35608	0.8
381.07904	13.1
382.08441	1.3
382.93439	0.6
383.09460	8.8
451.12103	39.4
452.12457	2.1
453.13644	5.7
507.21872	2.5
535.21576	4.7
605.25641	100.0
606.26166	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	606.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
56.64362	0.1
57.03436	0.2
57.36525	0.1
65.03913	0.2
67.05497	0.4
68.70390	0.2
69.03417	0.7
69.07059	0.2
69.35882	0.7
71.04984	0.4
73.18723	0.1
74.68043	0.2
79.05495	1.0
81.03416	2.7
81.07051	0.5
83.04959	0.2
83.08580	0.3
85.02899	1.0
85.54905	0.2
87.04448	0.6
88.04803	0.2
89.03907	3.8
91.05479	0.5
93.07041	0.6
95.04964	0.6
95.08571	0.4
97.02885	0.5
97.06511	0.4
99.04441	0.4
105.04496	0.2
105.07027	0.7
107.04958	1.8
107.08551	0.4
109.02881	1.3
109.06487	0.2
111.08090	0.2
115.03899	0.2
117.03374	5.1
119.08572	0.4
120.08057	0.2
121.06503	0.2
121.10156	0.2
127.03926	0.5
131.04913	0.2
133.10120	0.4
135.04411	12.2
135.11688	0.3
137.06009	0.2
145.02846	10.0
145.10059	0.2
155.80975	0.1
157.10104	0.2
159.11652	0.2
161.05913	0.2
163.03896	100.0
164.04247	1.5
165.05537	0.3
171.11740	0.2
175.07518	0.2
179.06923	0.2
181.04955	3.9
183.08041	0.2
189.16302	0.2
201.09105	0.5
229.08627	0.4
247.09641	4.1
281.17365	0.3
282.17780	0.2
307.08115	2.7
325.05347	0.3
325.09177	6.9
345.43457	0.2
423.00467	0.2
606.21509	0.3
606.31091	0.6
607.21008	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51633	0.7
53.03936	1.3
53.22495	0.6
55.05475	0.9
57.03435	0.8
58.47276	0.6
59.93493	0.6
63.79377	0.7
67.05501	10.6
67.40646	0.7
69.03423	2.8
71.04999	0.8
71.23330	0.8
78.04707	1.0
79.05486	2.8
81.03413	8.8
81.07054	7.7
83.04971	0.8
85.02903	1.9
89.03913	1.2
89.25132	0.7
91.05471	5.2
93.07031	5.4
95.04964	4.5
95.08595	4.5
97.02892	3.1
99.04454	1.4
103.05472	4.9
105.04506	1.3
105.07027	0.9
106.04164	1.0
107.04948	3.0
107.08541	2.2
108.04484	2.8
109.02882	8.0
109.06511	1.9
109.10156	29.3
115.05450	0.7
119.04945	1.0
119.08560	1.4
121.06497	10.7
121.10104	0.8
123.04407	3.7
124.05267	1.0
125.06014	1.0
127.03939	4.4
131.04910	6.6
133.02850	1.4
134.03651	1.2
135.04399	1.7
135.08018	1.8
137.05991	8.3
137.09612	64.6
138.09911	1.1
140.04680	2.3
145.02858	1.9
147.04411	1.4
148.05202	1.1
149.05977	16.1
151.03908	1.1
152.04698	0.8
155.07045	2.4
155.10616	4.2
159.04385	5.3
163.03923	3.9
163.07495	2.2
165.05493	2.4
165.09116	60.6
166.09512	1.6
167.07036	100.0
168.07408	1.1
176.04675	1.4
177.05472	39.8
178.06122	0.7
179.07040	0.8
181.08496	1.1
183.10168	6.0
191.07024	2.5
194.05800	1.4
195.06516	1.3
197.08165	3.7
201.11246	5.1
209.08090	32.0
227.09135	75.4
228.09343	1.1
259.09799	0.8
291.12274	6.2
309.13297	21.2
327.14380	4.9
345.15488	1.6
468.59381	0.8
606.22601	3.1
613.81982	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
55.05511	4.4
55.42144	0.3
57.03431	1.6
57.07077	17.4
60.04527	0.8
65.03935	0.4
67.05491	0.3
69.03427	5.7
69.67651	0.3
69.88712	0.5
69.89050	0.5
73.06545	1.0
81.03414	0.4
85.02905	3.4
87.04465	3.6
91.05458	0.3
93.03403	0.3
93.07037	0.5
97.02889	3.7
100.11237	0.6
109.10207	0.3
111.16504	0.2
115.03932	4.8
121.02879	1.9
127.03876	0.4
129.06990	0.3
131.08588	0.6
133.04979	3.9
138.09122	0.6
143.13091	0.3
145.04980	0.5
146.05981	0.4
149.02339	100.0
150.02713	1.1
154.12241	0.4
161.05948	1.3
167.03403	1.0
175.07547	3.8
181.82625	0.3
182.15352	0.6
183.19659	0.3
193.83488	0.3
203.05182	0.4
203.07039	5.5
205.06656	0.4
205.08597	9.0
209.16611	0.3
221.08107	1.6
223.09665	0.5
277.14349	46.6
278.14658	1.0
295.15399	5.2
300.08759	0.3
327.66379	0.3
381.07895	0.5
409.83047	0.3
426.32135	0.3
444.33060	2.1
451.11966	0.3
452.12234	0.9
459.15033	0.3
606.25885	2.0
606.45624	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05912	0.2
51.73971	0.2
55.05514	2.0
57.03422	0.7
57.07070	2.6
60.04527	0.3
65.03942	0.6
69.03426	2.3
69.70476	0.6
73.02876	0.2
73.06548	0.5
81.03411	0.2
85.02912	1.7
86.09703	0.2
87.04472	1.0
89.34208	0.2
92.64586	0.2
93.03374	0.4
93.07029	0.2
94.09619	0.2
95.08600	0.3
97.02885	1.6
107.08608	0.3
109.10159	0.2
111.04449	0.3
115.03918	1.5
121.02871	1.8
121.03745	0.2
121.03930	0.2
127.03849	0.3
133.04951	0.9
138.09090	0.2
149.02338	100.0
150.02693	1.2
167.03404	0.7
178.10953	0.2
186.94481	0.2
203.06989	0.4
205.08595	21.6
206.08932	0.4
221.08061	1.1
223.09583	0.3
277.14340	13.9
278.14673	0.3
295.15433	2.9
444.33151	0.3
452.12195	0.2
456.99390	0.2
606.24780	0.4
607.21210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47306	5.5
53.03925	5.5
55.05507	23.0
57.07064	15.9
67.05510	41.3
69.07069	6.6
69.10543	38.6
75.00297	5.5
79.05503	43.8
81.03431	7.1
81.07060	40.7
83.04981	8.5
85.10175	16.9
91.05482	43.0
93.07063	33.2
95.04953	21.3
95.08588	31.8
97.06504	7.2
105.07037	40.1
107.04952	13.7
107.08574	20.1
109.10182	13.0
111.08076	5.8
113.09642	33.7
117.07024	9.3
119.08620	27.3
121.10127	16.1
125.09636	6.0
131.08546	16.3
133.10095	19.0
135.11685	9.4
137.09598	5.5
143.08551	5.5
145.10138	18.1
147.11656	16.3
149.09604	17.0
157.10141	7.2
159.11743	12.3
161.13228	11.7
163.11157	25.2
165.12746	41.3
169.10101	7.1
171.11656	8.9
173.13309	7.4
189.11209	5.8
197.13319	6.3
197.82304	5.2
220.14317	5.2
223.13281	8.3
257.19086	7.1
259.20529	8.7
275.20059	100.0
276.20773	7.4
277.21622	73.1
293.21127	23.5
295.22659	77.3
301.21591	8.6
326.72644	6.1
405.54504	6.2
553.42596	9.3
607.27234	5.9
607.40796	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	607.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08178	0.8
55.05507	0.7
61.09444	0.7
67.05495	1.1
67.86790	0.6
71.45051	0.7
81.07058	0.9
91.05485	0.9
93.07000	0.7
99.43988	0.6
107.08595	0.9
109.10109	0.8
119.08591	1.0
133.10181	0.8
173.90909	0.6
183.64963	0.6
223.12242	0.9
339.87918	0.6
375.16006	0.9
388.16772	1.0
389.17593	3.1
390.18405	1.6
391.19016	1.1
402.18726	1.5
403.19366	6.0
404.19815	2.6
405.20728	2.9
415.19571	0.9
416.15997	1.5
417.16245	4.5
417.21167	2.7
418.17572	2.0
418.22360	0.9
419.22314	7.6
430.17706	1.1
431.18222	7.9
432.19424	2.8
433.19977	3.2
445.20355	6.8
446.20956	6.6
447.21695	9.2
459.17740	1.5
460.18533	0.9
461.19858	1.6
463.25006	0.8
474.20471	8.1
475.21127	10.5
476.21869	1.0
478.23730	1.2
487.21436	2.3
488.22064	1.0
490.23886	1.4
491.25204	1.2
501.22528	1.2
505.22263	1.0
519.24158	10.1
547.23376	57.6
548.23737	4.7
561.24969	1.3
579.25714	3.9
607.25446	100.0
607.39240	5.2
608.25793	7.8
611.75201	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2552
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
51.82451	0.1
59.09153	0.1
69.17808	0.9
79.05493	0.2
81.07056	0.2
88.98082	0.1
90.55544	0.2
132.08076	0.2
179.38470	0.2
195.09247	0.2
204.06514	0.3
207.09196	0.2
209.10764	0.4
223.12399	0.3
225.10312	0.1
233.10802	0.2
235.12407	0.2
237.10385	0.2
245.10928	0.2
249.10278	0.3
251.11803	0.2
300.11780	0.2
314.16443	0.2
315.16852	0.1
324.15231	0.2
326.12833	0.2
338.12622	0.2
347.46570	0.2
373.14706	0.3
374.15448	0.3
375.15887	0.8
376.17181	0.3
377.17609	0.2
386.16766	0.3
387.16266	0.6
388.16946	1.0
389.17615	2.7
390.18445	1.3
391.19199	1.3
400.17719	0.2
401.17950	0.7
402.14258	0.4
402.18961	1.1
403.15659	0.5
403.19455	4.4
404.20166	2.1
405.20831	3.2
406.21149	0.3
407.22479	0.3
414.16217	0.1
415.14996	0.3
415.19516	0.4
416.16287	0.9
416.20370	0.6
417.16193	4.3
417.21234	2.0
418.17667	1.1
418.21643	1.1
419.22461	6.0
419.28049	0.3
420.23138	1.0
429.17258	0.6
430.16919	0.9
430.22635	0.3
431.18320	8.2
432.19144	3.6
433.20020	3.9
434.20724	0.2
435.21878	0.3
442.17844	0.2
443.18396	0.3
444.19687	0.5
445.20145	6.0
446.20978	7.7
447.21707	8.1
448.22974	1.0
449.19623	0.3
457.20535	0.3
458.21146	0.3
459.17581	1.2
459.22061	1.7
460.18295	0.5
460.22943	0.6
461.19421	2.1
462.24890	0.7
463.20026	0.3
463.25082	0.6
473.19409	0.7
473.23886	0.6
474.20383	5.4
475.20978	4.7
476.22156	0.7
477.23291	0.8
478.23447	1.2
487.21484	1.7
488.22021	0.7
490.23517	0.5
491.20041	3.1
501.23071	1.1
502.23459	0.2
503.25021	0.3
504.21591	0.5
505.21930	0.7
506.23108	0.5
518.22858	0.3
519.24060	17.1
520.24487	1.1
529.22345	0.4
532.21124	0.3
547.23376	14.2
548.23834	1.5
550.21906	0.2
551.26215	0.4
561.24780	0.4
564.23431	0.3
575.22992	0.2
579.25995	5.6
580.26465	0.4
589.23944	0.2
607.25452	100.0
608.25842	6.3
633.32483	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	607.2911
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
54.62690	0.3
80.74542	0.3
88.27114	0.3
104.47639	0.3
128.26042	0.3
175.82153	0.3
209.10733	0.3
314.16742	0.3
366.99704	0.2
388.17117	0.5
389.17612	1.2
390.18555	0.5
391.19510	0.3
395.84213	0.3
401.17850	0.5
402.18384	1.0
403.19217	2.6
404.19867	1.6
405.20673	1.1
415.19208	0.8
416.19946	1.1
417.16907	0.8
417.21344	3.6
418.21780	1.8
419.22433	3.6
420.23145	0.4
430.17352	0.6
431.18140	7.1
431.23752	0.4
432.19446	1.8
432.24249	0.4
433.24133	6.0
434.24606	0.9
443.18530	0.4
444.18839	0.5
445.19891	9.7
446.20679	3.8
447.21851	3.0
459.21582	3.3
460.22379	5.7
461.23340	5.9
473.23663	2.1
474.24329	0.7
477.22513	0.5
487.24899	0.7
489.22531	0.6
505.21451	1.7
506.26978	0.4
515.24243	0.6
519.23584	0.6
532.24469	0.6
547.27026	16.0
548.27570	1.5
575.26416	0.7
578.24902	0.3
607.29120	100.0
608.29376	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	607.2914
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
58.76004	0.6
62.87089	0.6
64.57338	0.6
71.10664	0.7
237.13632	0.7
272.11719	0.7
274.42618	0.7
291.46909	0.7
386.35056	0.6
387.16199	1.4
388.16937	1.3
389.17719	3.2
390.18579	1.0
401.17798	2.1
402.18536	2.9
403.19223	11.7
404.19785	3.5
405.20743	5.5
415.19095	1.8
416.20749	3.3
417.16821	2.7
417.21439	11.3
418.21561	7.9
419.22327	10.0
429.21249	1.3
430.17142	3.3
430.22754	1.1
431.18085	20.8
432.18726	6.0
433.24088	21.4
434.24728	2.6
443.18460	1.2
444.19226	2.2
445.19778	26.5
446.20706	10.9
447.21634	7.7
457.19800	0.8
458.21124	1.0
459.21442	9.8
460.22604	15.7
461.23260	11.7
462.20602	1.0
473.23669	5.8
474.24316	1.4
487.25629	1.0
491.24887	0.8
492.01926	0.7
505.22726	2.1
519.27063	0.9
532.25134	0.8
547.27032	36.1
548.27698	1.4
575.25897	0.8
579.30109	0.8
607.29150	100.0
608.29468	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	608.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.2
64.11829	2.2
67.05490	4.9
69.03431	5.1
69.64978	5.2
71.05024	2.0
73.15997	2.1
77.03957	2.1
77.17898	2.1
79.05477	5.2
81.03405	4.8
85.02905	10.5
88.48754	2.0
91.05483	9.6
92.68559	1.7
93.07018	2.1
95.01310	2.9
95.04967	18.4
95.08610	2.3
97.02888	7.6
99.85213	1.9
103.54497	2.0
105.03362	2.6
105.07040	6.2
105.76398	1.9
107.04961	10.1
109.02951	2.9
109.06557	4.1
111.04473	3.3
115.05454	3.8
117.06995	5.0
119.04942	4.1
121.06503	3.1
123.04452	9.1
123.11731	5.0
128.06227	3.9
129.07008	8.9
131.04956	6.6
133.02841	6.0
133.06477	4.6
135.04439	9.2
137.05998	7.7
141.06990	5.0
143.08525	3.5
145.06482	10.4
147.04378	11.7
147.08032	2.7
149.02335	5.0
149.05952	2.7
151.03923	38.6
151.05153	1.5
152.06140	2.7
153.05501	6.4
153.06973	5.3
155.08591	5.0
157.06499	6.7
159.04446	5.3
159.08069	4.2
161.05872	4.4
163.03879	9.7
163.07616	2.9
165.05487	100.0
165.06956	8.3
167.07056	14.5
167.08580	6.8
169.06445	2.3
171.04431	6.2
171.08035	6.2
173.05966	14.1
175.03885	11.9
175.07558	5.3
175.54099	2.0
177.05530	3.2
179.07101	2.2
179.08600	6.1
181.05058	2.0
181.06477	7.4
182.07300	2.1
183.04321	3.0
183.06665	2.8
183.08015	10.7
185.06004	6.2
185.09613	2.8
187.03906	3.0
187.07526	3.2
189.05501	6.3
191.03426	7.6
193.04918	9.3
195.08099	8.2
197.05989	3.3
197.09645	4.9
199.03757	4.4
199.07549	13.1
201.05440	17.7
203.03394	5.9
203.07059	6.6
205.04874	3.6
205.06628	2.6
207.08150	3.5
209.05957	10.2
211.05844	2.7
211.07549	7.5
213.05359	2.3
213.09125	4.1
215.07057	3.8
217.04988	5.0
217.08673	5.0
219.06529	3.9
221.04364	2.1
223.07591	10.6
225.05501	2.9
225.09044	6.8
227.03421	10.5
227.06963	13.0
227.08937	2.2
229.04926	4.9
229.08627	2.6
235.07645	4.3
237.05655	3.2
239.07097	2.4
241.04852	3.3
241.08624	7.2
245.04437	6.1
245.07999	3.4
251.07082	14.2
253.08607	7.8
255.02776	3.7
255.06557	16.2
257.07993	3.1
269.08081	11.8
271.09644	27.6
273.03915	10.5
273.07571	7.9
275.05487	3.3
275.09180	2.4
279.06558	8.9
279.71005	2.2
283.05994	3.7
287.05777	2.5
287.09061	5.4
291.05026	7.0
291.08508	5.1
297.07562	10.2
299.09128	4.4
301.07199	2.6
301.10681	3.7
305.06879	2.5
305.10031	3.2
307.05887	3.8
309.06033	4.5
311.09027	3.8
312.83047	2.0
315.08578	13.8
319.08038	3.3
325.07062	18.0
329.10175	3.9
333.09723	9.0
339.08334	2.2
343.08090	25.3
345.03290	2.4
345.09512	2.2
347.11374	3.7
351.10773	4.4
357.09637	22.6
361.09219	21.5
375.10724	94.1
376.11102	2.7
379.10153	39.6
393.11771	42.7
397.11142	16.4
411.12674	12.5
435.03604	2.3
608.22083	3.1
609.18353	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	609.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
61.09233	0.2
65.03938	0.3
67.01865	0.3
67.05509	0.3
68.99809	0.4
69.03430	0.3
70.76633	0.2
72.99867	0.2
79.05509	0.2
81.03418	1.4
81.07047	0.5
85.02889	0.6
89.03900	0.9
91.05479	1.9
93.06998	0.2
95.04972	0.4
95.08595	0.3
95.62918	0.2
97.02856	0.4
97.06512	0.3
99.04432	0.1
105.07021	0.2
107.04980	0.2
108.28253	0.2
109.02861	0.7
109.10155	0.2
109.13059	0.2
112.67098	0.2
117.03374	0.8
119.04945	4.5
119.08602	0.2
121.02855	0.2
122.83567	0.1
123.08041	0.2
124.37592	0.1
127.03873	0.3
133.98828	0.2
134.03639	0.2
135.04411	0.5
145.02849	0.7
147.04402	26.3
148.04716	0.4
149.05945	1.4
151.03891	0.4
153.01805	4.1
163.03885	2.4
165.05450	0.9
167.07092	0.2
171.02927	0.9
175.03920	0.6
177.05467	11.3
178.05853	0.2
229.04871	0.6
229.07346	0.2
251.58496	0.2
255.06543	0.4
258.05225	10.6
259.05844	0.2
271.05997	40.7
272.06354	1.2
286.04700	30.6
287.05338	2.4
291.08569	1.7
301.07050	100.0
302.07376	2.4
309.09705	1.0
321.09683	0.5
339.10535	0.4
389.75870	0.2
405.05933	0.2
419.07501	0.6
447.06738	0.4
463.12299	0.2
465.08084	0.3
609.13892	0.3
609.23071	1.3
609.30121	0.2
609.37238	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1605
Annotation	Luteolin 3'-methyl ether 7-(3''-E-p-coumarylglucoside)
Peak:m/z	Relative Intensity
53.03942	0.2
65.03939	0.4
67.01861	0.4
67.05496	0.4
69.03418	0.6
69.07073	0.3
71.44212	0.2
72.82124	0.2
79.05483	0.4
81.03415	1.1
81.07052	0.8
82.57136	0.2
83.05003	0.3
85.02899	0.6
89.03918	0.9
91.05474	2.9
93.07044	0.6
95.04984	0.3
95.08601	0.5
97.02895	0.8
97.06567	0.2
105.07025	0.5
107.04962	0.7
107.08583	0.6
109.02868	0.8
109.06503	0.2
109.10112	0.3
110.71971	0.2
111.04445	0.2
117.03384	0.6
117.06995	0.2
119.04939	5.2
119.08577	0.4
121.06477	0.2
121.10152	0.3
123.11738	0.2
127.03923	0.4
131.04944	0.3
131.08588	0.2
133.10121	0.3
134.03647	0.3
134.69112	0.2
135.04436	0.9
135.11679	0.4
145.02849	0.9
147.04402	26.4
148.04747	0.5
149.05975	1.1
151.03899	0.5
153.01819	6.0
153.12752	0.3
160.92860	0.2
163.03903	3.1
165.05479	1.0
167.03421	0.2
167.06979	0.3
171.02876	0.8
175.03848	1.0
177.05461	7.4
177.06978	0.4
178.05806	0.3
225.05406	0.3
229.05052	0.3
253.04968	0.3
255.06491	0.5
258.05225	11.6
259.05811	0.4
266.05389	0.2
267.06445	0.2
271.05997	28.7
272.06378	0.8
286.04700	33.6
287.05389	4.8
291.08524	1.7
293.04453	0.3
301.07050	100.0
302.07352	2.9
309.09735	0.8
321.09686	0.4
324.41968	0.2
339.10846	0.3
373.27463	0.2
388.05768	0.2
405.06012	0.5
417.05975	0.4
419.07617	1.6
447.07022	0.8
465.08139	0.7
609.12915	0.4
609.22156	1.4
609.28711	0.3
609.36017	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2707
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
59.95074	0.5
69.37440	2.8
96.23586	0.5
107.08629	0.6
223.12457	0.8
369.40363	0.6
377.17932	0.8
391.19238	2.0
392.19867	1.1
400.16812	0.8
401.17999	0.7
403.19260	0.8
405.20856	2.6
406.21362	1.8
407.22125	3.0
415.19070	1.1
416.19598	0.9
420.23105	1.2
421.24063	3.5
427.19119	1.2
428.19971	0.7
429.20740	2.1
430.21793	1.2
431.18140	1.1
433.20135	2.3
444.23730	0.8
445.20267	0.8
447.18195	1.9
449.23648	0.9
452.39404	0.7
457.23862	1.9
459.21866	1.8
460.22998	1.2
461.19223	5.4
462.20728	1.9
463.21393	1.4
471.18317	0.9
474.20471	1.7
475.20969	5.5
476.21841	4.2
477.22415	3.4
485.23560	5.0
486.20334	1.6
489.22809	3.8
494.26331	0.8
499.21161	1.3
500.22104	0.9
503.24744	4.4
515.24402	5.4
521.25238	1.9
531.23926	9.8
532.24554	1.0
535.23810	1.1
549.24622	1.5
550.25751	3.7
559.23389	4.1
589.08215	0.7
591.26038	25.7
592.26184	1.8
609.27045	100.0
610.27423	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	609.271
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
67.05508	0.4
68.30547	0.5
69.51839	1.3
69.63625	0.5
73.04777	0.4
124.01562	0.5
159.11665	0.6
211.12230	0.4
224.13049	0.6
232.74182	0.5
237.13821	0.6
237.43523	0.4
239.15373	0.6
294.64615	0.4
315.19424	0.6
317.20935	0.8
348.95746	0.4
377.17654	1.0
389.18564	0.6
390.19058	0.8
391.19186	0.9
392.20078	1.6
393.20947	0.7
400.16928	0.7
401.17923	0.7
402.18866	0.7
404.20422	0.7
405.21042	2.5
406.21460	2.3
407.22269	3.1
415.19302	1.9
419.18066	0.8
419.22717	1.2
420.23126	1.2
421.23746	3.1
422.24252	0.6
427.19244	1.0
429.20764	1.9
430.22009	1.0
431.18515	1.0
432.19000	0.6
433.15448	0.7
433.20374	1.5
433.25162	0.6
435.22113	0.7
443.23001	0.7
444.23526	0.8
445.20087	0.9
447.17355	2.0
449.23996	0.7
457.23962	1.0
459.21912	1.8
460.23212	1.1
461.19376	5.6
462.20523	1.5
463.21210	1.7
470.20844	0.6
472.22534	0.7
473.19046	0.7
474.20480	0.9
475.21054	8.8
476.21774	6.1
477.22302	3.8
478.23709	1.1
479.24500	1.2
485.23834	6.0
486.20251	3.0
488.21744	0.8
489.22964	4.4
493.21899	1.0
494.26901	1.0
499.21292	3.4
500.22052	1.1
503.24564	7.5
504.24518	1.6
505.22266	0.8
513.22864	1.1
515.24377	5.5
517.22437	1.9
521.26361	2.7
531.23987	8.8
532.24475	0.8
541.21973	0.9
549.24847	1.4
550.25623	4.7
559.23462	4.6
563.26410	1.5
577.24438	1.8
591.25916	10.7
609.27045	100.0
610.27191	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	609.271
Annotation	Trigonosin C
Peak:m/z	Relative Intensity
55.44238	0.6
67.05499	0.9
69.07059	1.2
71.45019	0.6
79.05503	0.7
79.37389	0.5
81.07073	1.9
91.05461	0.8
93.07047	0.9
95.08637	1.1
107.08606	0.8
109.10180	0.9
119.08551	1.5
121.10181	0.7
133.10085	0.8
145.10141	0.7
151.07504	1.4
252.16139	0.7
284.88080	0.6
287.05359	1.0
355.06854	0.9
391.19220	1.0
403.19156	1.5
404.19843	1.0
405.20715	1.8
407.22531	0.9
416.10815	0.7
417.20914	2.2
418.17255	1.4
419.22247	1.8
431.18683	2.2
432.19315	1.2
433.20236	5.5
434.20795	0.8
444.19556	2.0
445.19849	3.2
446.20932	2.1
447.21756	2.7
448.22855	1.3
455.38367	0.7
458.20779	3.8
459.21808	2.6
460.22488	2.6
463.20663	1.3
475.20868	0.9
476.22412	0.8
477.22644	1.5
490.23331	0.7
518.23071	1.9
519.24054	6.1
521.23627	1.4
531.23523	1.1
549.25122	3.0
584.21881	0.6
591.25995	8.5
609.26984	100.0
610.27515	5.6
625.28345	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2711
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
56.19373	0.4
57.07115	0.5
67.05485	0.5
69.20306	3.0
84.66893	0.5
95.08617	0.5
119.08700	0.5
121.60442	0.5
131.08598	0.5
138.47020	0.5
145.19910	0.5
161.02196	0.5
165.09154	1.1
287.05536	1.0
301.13107	0.6
375.17310	0.5
391.19183	0.5
403.19226	0.6
405.21027	0.9
415.19348	1.9
418.21838	0.6
419.22440	1.4
429.20834	2.2
430.21545	0.9
431.22775	0.7
432.19305	0.7
433.24103	1.9
434.20923	0.8
435.21924	0.6
443.22488	0.8
444.23242	2.0
445.19662	1.0
445.24796	1.0
447.21896	1.9
449.23563	1.0
457.20078	0.8
458.24503	0.7
459.21649	4.2
460.22693	2.7
461.23392	3.9
462.20218	1.6
462.89459	0.5
463.21564	0.7
471.21603	0.6
472.22656	2.1
473.23367	1.9
475.25552	0.9
476.21899	2.9
477.23035	2.3
485.23480	2.2
487.25174	3.2
489.22882	1.9
490.23901	0.7
492.72549	0.5
503.24368	2.1
506.23132	0.6
519.24072	1.6
521.21436	2.8
531.23956	23.3
532.24713	2.0
549.24847	12.3
563.26270	0.9
591.26013	3.5
609.27051	100.0
610.27356	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56559	0.5
70.83193	0.7
73.04737	0.6
77.05677	0.5
93.00058	0.6
95.08623	0.6
97.39209	0.5
100.49217	0.6
152.48923	0.5
218.31757	0.5
287.05515	0.6
315.19141	3.0
317.21011	2.1
333.20340	2.5
420.38562	0.6
428.33163	0.6
433.85812	0.6
511.34561	0.5
591.40198	24.7
592.40375	1.4
609.41180	100.0
610.41455	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	609.4125
Annotation	Ulmicin A
Peak:m/z	Relative Intensity
55.31533	0.2
59.11051	0.3
61.42042	0.3
68.63542	0.3
70.72543	0.3
70.72871	0.4
79.05515	0.3
183.86002	0.3
187.10974	0.3
197.86247	0.3
214.92007	0.3
227.97548	0.3
231.85875	0.3
290.74347	0.3
299.06497	0.3
315.19257	2.6
317.20999	1.0
321.86948	0.3
333.15961	0.3
351.01486	0.3
445.87787	0.3
539.33417	0.5
591.40192	18.2
592.40381	1.0
609.41211	100.0
610.41577	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	609.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69151	0.9
61.93182	1.0
69.18073	4.0
69.18478	2.4
73.04770	2.4
74.23014	0.9
81.07076	1.0
91.05788	3.3
118.75185	1.1
126.66001	0.9
150.75426	1.0
202.01595	1.1
206.67110	0.9
249.43011	1.1
285.00940	1.6
349.42813	1.1
355.07144	3.3
577.09253	1.2
609.41223	100.0
610.41614	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	609.4516
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03910	0.7
55.05514	8.1
57.03437	2.7
57.07067	0.9
65.03917	1.1
67.05510	16.8
69.07062	7.7
71.05010	0.8
72.52662	0.9
76.69938	0.8
79.05494	12.1
81.07059	14.7
83.04984	1.0
83.08614	4.3
91.05465	9.0
93.07047	12.3
95.04996	1.9
95.08614	15.9
97.06561	1.4
97.10187	1.7
105.07030	9.6
107.08595	9.0
109.10146	5.9
111.91611	0.8
115.05463	1.1
117.07006	5.9
119.08596	9.6
121.10143	5.4
123.08123	0.8
123.11705	1.6
125.09640	1.0
128.06239	2.0
129.07025	7.5
131.08575	10.5
133.10132	7.8
135.10799	0.8
135.11739	3.6
137.13234	1.1
141.07031	2.8
142.07829	1.4
143.08575	9.7
143.09630	1.0
145.10133	11.0
147.11664	4.6
149.13313	1.1
154.07875	1.0
155.08556	7.5
155.66818	0.8
156.43523	0.8
157.10126	9.5
159.11708	7.5
161.13348	3.0
165.06946	1.2
167.08643	2.8
168.09338	1.4
169.10152	8.3
171.11711	6.4
173.13252	4.1
175.14862	1.3
181.10063	5.3
182.10854	0.9
183.11699	8.0
185.13248	6.0
187.14865	2.1
193.10155	1.7
195.11664	4.5
197.13274	6.9
199.14938	3.7
201.16414	1.6
207.11732	1.4
209.13319	3.1
211.14777	4.7
213.16513	1.9
221.13358	1.7
223.14845	3.0
225.16452	3.0
227.18085	1.7
233.19099	1.0
235.14700	1.2
237.16451	1.8
239.18268	0.8
241.19766	1.4
251.18158	1.2
253.19696	1.1
279.21207	0.9
285.22357	0.7
297.22122	1.1
311.23700	0.9
321.22073	1.1
335.23828	1.1
337.25662	1.4
339.23157	1.0
341.24963	1.0
351.27029	1.2
363.26599	1.1
365.28824	1.2
383.29523	0.9
447.31635	1.3
449.34259	0.9
462.20508	1.0
499.39612	1.2
513.35907	1.0
515.38074	1.0
517.40582	7.5
521.36194	1.0
531.23743	1.0
535.41589	4.8
539.37476	2.6
539.98553	0.8
549.25189	2.6
573.43848	1.5
591.25867	1.7
591.44507	7.2
609.28821	12.6
609.45190	100.0
610.27289	1.2
610.45502	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	610.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65765	0.2
55.05494	0.3
64.87194	0.1
67.05489	0.7
68.12573	0.2
73.04739	0.4
79.05476	0.3
81.07056	0.4
91.05772	0.7
93.07046	0.4
95.08604	0.4
95.98422	0.2
97.06499	0.2
98.98461	2.1
107.08601	0.3
109.10146	0.2
111.78812	0.2
114.94249	0.2
118.06573	0.2
119.08543	0.2
120.08096	7.6
121.10151	0.2
125.00002	7.3
131.07312	0.3
135.11671	0.2
136.06181	0.3
146.09637	42.6
147.10085	0.8
148.07610	0.5
148.11194	0.4
152.10690	4.4
163.09953	0.2
164.10712	2.4
167.05583	0.3
178.12257	50.5
179.12573	1.0
196.13327	7.3
239.09425	0.4
244.07384	1.3
262.76544	0.2
268.97968	0.2
276.09943	100.0
277.10275	2.2
285.00955	0.4
287.05499	0.5
299.06085	0.4
355.07022	1.0
506.05521	0.2
506.50143	0.2
531.10822	0.2
592.33868	1.3
610.34662	4.0
611.35107	0.3
632.68890	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	611.1397
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
51.05616	0.1
51.08389	0.1
53.03939	0.1
57.03406	0.1
59.71334	0.0
63.02361	0.1
66.46996	0.1
66.83270	0.0
67.01862	0.7
68.99779	0.7
69.03406	0.2
69.34728	0.2
79.05478	0.2
81.03411	0.8
85.02899	0.2
89.03913	1.3
95.04981	0.1
97.02880	0.1
99.04453	0.1
107.04941	0.4
109.02898	0.4
111.00782	0.1
111.04446	0.1
117.03372	1.5
122.27181	0.1
125.02399	0.1
127.03859	0.1
129.01808	0.2
131.28944	0.1
135.04408	4.2
135.11610	0.1
137.02335	0.9
143.21500	0.1
145.02847	2.1
145.03912	0.1
146.03180	0.1
153.01820	6.1
154.02260	0.1
161.02341	1.1
163.03893	21.8
163.62515	0.1
164.04224	0.5
171.02884	0.7
175.03793	0.1
177.05446	0.1
179.03395	0.5
181.04939	0.4
185.05905	0.1
203.03432	0.1
213.05486	0.1
218.05655	0.1
219.06529	0.4
231.06657	0.1
236.15344	0.1
241.04915	0.9
245.04410	0.2
259.06137	0.1
263.05591	0.1
269.04407	0.4
270.04929	0.1
271.06018	0.1
287.05478	100.0
288.05814	3.4
307.08096	1.4
325.09198	0.6
329.06396	0.1
449.10242	0.2
611.13824	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.14
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22332	0.1
53.46719	0.1
55.05502	0.2
57.03444	0.1
67.01865	0.5
67.05527	0.1
68.99780	0.5
69.03397	0.1
69.54094	0.3
79.05486	0.3
79.73922	0.1
80.44567	0.1
81.03413	0.4
81.07056	0.2
85.02893	0.2
89.03902	0.9
93.07069	0.1
95.04969	0.1
95.08598	0.2
97.02910	0.1
98.23413	0.2
99.04453	0.1
105.06982	0.1
107.04942	0.3
109.02861	0.2
109.06557	0.2
109.10172	0.1
117.03389	0.9
127.03933	0.1
129.01836	0.1
135.04420	3.2
137.02382	0.6
137.05942	0.3
145.02831	1.1
145.03918	0.1
147.11748	0.1
151.03810	0.1
153.01820	5.4
154.02155	0.2
161.02306	0.9
161.05968	0.1
163.03903	11.4
164.04274	0.4
171.02870	0.6
179.03384	0.4
181.04913	0.2
184.31400	0.1
189.05527	0.1
190.38481	0.1
201.84979	0.1
213.05402	0.1
217.12244	0.1
218.05804	0.1
219.06456	0.3
241.04907	0.9
245.04361	0.1
269.04437	0.4
271.05942	0.2
287.05484	100.0
288.05820	4.0
289.05859	0.1
307.08350	0.5
325.09155	0.2
356.07153	0.1
356.27658	0.1
449.09216	0.1
516.66962	0.1
611.13751	0.4
611.21863	0.1
611.31769	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	611.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51434	0.1
53.87273	0.1
57.03438	0.1
61.02924	0.2
63.18767	0.1
65.66405	0.1
67.01869	0.2
68.99783	0.2
69.03424	0.6
70.89149	0.1
74.71520	0.1
81.03425	0.3
83.12042	0.1
85.02895	1.8
85.81211	0.1
87.04485	0.1
89.03895	0.1
94.34137	0.1
95.04964	0.1
97.02877	0.5
105.69208	0.1
107.04961	0.1
107.48576	0.1
109.02854	0.3
115.81033	0.1
117.03397	0.2
123.04435	0.1
127.03902	0.3
129.01805	0.1
135.04396	0.9
137.02359	0.3
145.04935	0.4
147.04417	0.1
151.03867	0.2
153.01814	3.4
161.02296	0.5
163.03914	0.3
165.05434	0.2
171.02866	0.4
179.03360	0.2
180.60245	0.1
241.04956	0.4
269.04477	0.3
281.10114	0.2
282.10413	0.2
287.05472	100.0
288.05801	3.0
297.07837	0.1
299.05511	0.1
330.32159	0.1
330.37357	0.1
400.79407	0.1
449.10751	11.5
450.10931	0.4
485.23160	0.1
611.21442	0.6
611.30286	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1608
Annotation	Luteolin-3',7-di-O-glucoside
Peak:m/z	Relative Intensity
67.01848	0.2
68.99802	0.2
69.03421	0.1
77.52071	0.1
85.02869	0.1
86.09715	0.1
97.02909	0.1
107.04955	0.1
107.06998	0.1
108.08128	0.1
109.02846	0.1
113.64333	0.1
121.02821	0.2
127.03887	0.2
135.04408	1.1
137.02359	0.2
153.00632	0.2
153.01819	2.7
161.02330	0.2
163.03868	0.3
171.02904	0.1
179.03394	0.2
195.06828	0.1
203.03450	0.1
212.75403	0.1
241.04936	0.2
245.04436	0.2
269.04419	0.3
287.05484	100.0
288.05792	2.9
449.10773	19.0
450.11063	0.6
518.98700	0.1
558.82709	0.1
597.24615	0.1
611.15820	1.2
611.24524	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1609
Annotation	Luteolin-3',7-di-O-glucoside
Peak:m/z	Relative Intensity
55.01869	0.1
59.05983	0.1
66.81429	0.1
67.01867	0.2
68.99782	0.2
69.03400	0.4
70.32390	0.3
76.77213	0.1
79.75755	0.1
81.03374	0.2
81.07040	0.1
83.79060	0.1
85.02882	0.5
93.07034	0.2
97.02858	0.3
97.06493	0.2
105.70647	0.1
107.04919	0.2
115.03925	0.1
127.03903	0.3
135.04434	1.0
137.02341	0.2
145.04982	0.1
153.00641	0.3
153.01816	3.0
161.02252	0.2
163.03879	0.4
166.08440	0.2
171.02914	0.2
175.03665	0.3
179.03358	0.2
213.05354	0.2
236.18661	0.1
241.04916	0.3
259.05981	0.2
269.04385	0.3
286.04724	0.3
287.05490	100.0
288.05814	2.8
356.07364	0.2
379.12076	0.2
388.02344	0.2
449.10782	30.8
450.10870	1.5
509.92102	0.1
516.14923	0.1
611.21216	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73096	0.2
57.03432	0.3
57.07071	0.3
63.38977	0.2
65.18095	0.3
69.03432	1.1
69.88300	0.3
69.88625	0.7
73.04741	0.3
79.05500	0.5
81.07087	0.5
82.71873	0.2
85.02901	0.8
86.09633	0.2
91.05460	0.3
97.02889	0.4
107.04962	0.3
119.08619	0.4
131.04900	0.2
135.73225	0.2
145.02856	0.3
147.04274	0.2
149.02324	3.3
151.03975	0.4
163.03922	1.1
163.11148	0.3
165.05479	0.4
167.07047	0.5
171.00528	0.3
175.07516	0.3
181.04979	0.5
182.10753	0.3
191.07021	0.4
201.86346	0.3
203.05359	0.2
203.07079	0.2
243.06415	0.5
245.07840	1.4
261.07367	2.1
275.07742	0.5
275.11063	2.2
287.05463	3.5
299.12601	1.3
317.08453	0.4
317.13657	0.9
321.93988	0.2
329.12225	0.4
335.09467	5.1
389.14084	3.6
407.15225	4.8
423.12759	1.3
479.18945	1.2
555.16876	0.4
611.23035	100.0
612.23419	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	611.231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61974	0.3
55.05508	0.3
57.65911	0.3
59.22286	0.2
61.13458	0.3
64.90125	0.2
65.03946	0.3
67.01899	0.3
67.05526	0.5
68.87643	0.2
69.03419	0.8
69.50684	0.2
69.70654	1.0
69.70995	0.2
73.04754	0.3
79.05486	0.8
81.03410	0.9
81.07068	0.7
85.02904	1.2
85.06538	1.1
91.05449	2.6
93.07053	0.5
95.08611	0.7
97.02883	0.4
97.22575	0.3
105.07034	0.3
106.84199	0.3
107.04966	1.0
109.02859	0.6
109.06512	0.5
115.05423	0.3
119.04938	4.3
120.08134	0.3
121.06510	0.4
127.03936	0.3
127.33029	0.2
131.04951	0.3
131.08499	0.3
135.04446	0.5
137.05963	0.6
139.03923	0.4
142.70213	0.3
145.10107	0.5
147.04404	21.6
148.04749	0.4
149.02339	1.0
149.05942	0.6
151.03929	0.7
153.01822	2.6
153.05464	0.4
163.03871	2.1
165.05475	2.0
167.07031	1.3
171.02917	0.6
173.13144	0.3
176.53621	0.3
177.05524	1.1
179.03392	0.5
181.04977	0.5
187.64830	0.3
191.07106	0.5
195.02892	1.2
195.06664	0.3
209.08069	0.4
217.08696	0.3
245.07915	1.1
261.07349	0.3
269.08157	0.3
275.11044	2.0
287.05505	6.6
287.08771	0.3
291.08655	0.4
303.08511	1.5
317.08334	0.3
317.13586	0.8
333.07919	0.6
345.09753	0.5
359.14725	0.3
385.13022	0.3
389.14185	3.0
407.15222	4.7
423.12640	0.9
478.41187	0.3
479.18860	2.5
516.33527	0.3
521.19867	0.5
555.16821	0.5
611.23022	100.0
612.23322	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	611.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02409	2.2
53.03944	4.0
55.01880	7.6
55.05508	14.7
61.02936	2.5
65.03936	2.8
67.05505	8.2
68.99793	2.1
69.03435	11.5
69.07081	4.8
69.26723	13.2
71.01361	4.3
71.05006	2.7
79.05482	11.8
81.03432	10.9
81.07060	10.5
83.01359	3.2
85.02908	23.3
85.06545	60.6
85.80393	2.1
89.03914	4.4
91.05430	18.3
93.07041	8.4
95.04958	12.9
95.08614	7.8
97.02908	7.9
97.06508	4.6
103.05511	5.0
103.96573	2.4
105.03390	3.1
105.04482	3.1
105.07043	9.9
107.04969	10.2
107.08604	4.9
109.02862	5.6
109.06537	6.5
109.10188	4.4
111.04438	2.5
115.03940	2.4
115.05490	10.5
117.03375	4.9
117.07030	5.9
119.04966	7.1
119.08593	5.1
121.06542	8.5
121.10157	7.9
123.04439	6.5
123.08064	2.6
123.11718	2.9
127.03941	6.6
128.06258	9.1
129.07019	15.8
131.04916	12.1
131.08554	7.0
133.02867	5.1
133.06458	7.0
133.10188	4.1
135.04428	17.6
135.08044	2.3
137.06000	9.1
137.09637	2.5
139.03900	5.9
141.07014	7.8
143.04916	3.9
143.08565	8.8
145.02858	9.1
145.05025	3.3
145.06503	7.0
145.10124	3.7
147.04424	10.5
147.08018	3.3
149.05978	6.2
149.13242	2.9
151.03929	5.7
152.06244	7.4
153.01822	17.8
153.06982	19.2
154.07750	4.7
155.04883	5.6
155.06033	3.8
155.08560	10.0
156.05704	2.8
157.02823	5.1
157.06502	17.8
158.07202	3.2
159.04456	4.9
160.12811	2.3
161.06003	9.5
163.03906	100.0
165.05496	50.0
165.07027	17.0
166.07787	8.8
167.07054	20.3
167.08546	7.9
169.06445	6.1
169.10136	3.2
169.15906	2.3
171.02859	3.1
171.08072	7.4
173.06044	8.4
175.04002	4.1
175.07516	5.6
177.05507	4.9
178.07826	8.0
179.03418	5.5
179.07048	27.2
179.08612	7.9
180.09326	2.8
181.04962	16.5
181.06509	24.9
181.10109	8.3
182.07196	5.1
183.04440	5.0
183.08049	5.0
185.06023	12.2
187.03978	4.4
187.07501	4.0
189.05469	10.7
189.07022	4.0
189.09094	6.6
190.06299	2.8
190.07784	14.0
191.07039	5.2
191.08542	9.1
192.09319	4.3
193.08580	3.7
193.10135	3.0
194.07347	3.4
195.08046	6.5
197.06071	5.9
197.07964	3.6
197.09634	4.0
199.07613	10.7
201.05548	3.7
202.07808	7.0
203.03409	23.7
203.06902	4.9
203.08571	8.6
204.09492	2.5
205.10162	19.6
206.10974	2.8
207.08076	4.8
209.06100	18.5
209.09697	8.1
211.07532	4.2
213.05495	3.9
213.08981	4.5
215.06801	5.3
215.08624	12.9
216.09387	5.4
217.04962	15.7
217.08556	9.0
217.10342	3.3
218.07274	8.6
219.06245	3.1
219.08096	7.5
221.06129	4.1
221.08029	4.2
222.06773	3.8
223.07588	8.3
223.11241	7.5
225.05496	3.5
225.09193	2.9
227.07008	24.3
232.08713	3.2
233.09761	14.1
235.05766	14.9
236.08287	5.0
237.05545	14.2
237.09097	10.3
239.07092	6.2
241.08534	11.6
243.08171	3.9
247.07518	2.8
249.09369	5.0
251.07161	12.7
251.10722	14.3
252.07706	2.7
253.04909	3.5
253.08612	5.7
255.06525	30.8
255.10104	3.9
259.09662	5.2
261.09149	26.5
262.09628	3.2
263.06973	2.6
263.10699	4.0
265.05136	3.5
265.08569	4.4
265.12189	2.8
269.08099	41.6
269.11551	6.7
271.05966	3.7
273.07620	12.1
275.10724	2.9
279.10068	23.3
283.09839	5.3
286.04648	3.8
287.05530	93.0
287.09152	65.2
288.05872	5.7
289.08746	20.4
293.11725	10.3
297.11230	7.2
301.10660	9.1
301.14258	6.2
303.09845	4.8
305.10199	50.4
307.09799	23.4
309.10999	2.9
311.12766	8.6
315.08694	4.8
317.08112	5.8
321.11304	33.7
325.10376	7.9
329.10245	3.8
329.13684	4.9
331.09720	3.7
335.09250	8.2
339.12213	26.1
343.11667	3.3
347.11307	4.1
349.10641	13.9
353.10059	5.2
353.13974	8.8
355.15268	2.9
356.07108	5.3
361.12961	2.8
363.12354	6.4
367.11801	23.0
371.10623	2.8
371.14917	12.6
381.13391	13.8
385.12820	10.9
386.13617	3.2
399.14423	13.6
413.15958	5.5
449.12677	5.9
575.96527	2.3
579.23431	2.5
611.23755	18.0
611.33954	7.1
638.42877	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	611.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.9
56.96569	0.9
58.99865	2.8
61.06823	0.5
66.86595	0.5
67.05499	2.0
69.07062	1.9
69.30764	0.5
69.68410	1.6
73.04755	0.8
77.00906	12.5
79.05486	4.3
81.07066	2.5
83.08590	1.0
87.33437	0.5
91.05437	3.8
92.70956	0.5
93.07050	6.1
95.01956	7.4
95.04926	0.6
95.08618	3.2
97.10191	0.8
100.02487	1.3
105.07023	2.7
107.08604	2.7
109.10159	0.8
110.97545	0.5
113.00883	0.8
117.07028	1.5
119.01953	0.7
119.08573	3.1
121.10155	3.2
125.00003	0.8
127.87496	0.5
128.98566	0.5
129.07066	0.6
131.01920	8.1
131.08583	1.6
133.10149	1.8
135.11681	0.9
139.05997	0.5
143.08589	1.0
145.10143	3.0
147.11671	1.5
149.02988	2.7
153.01833	0.6
153.07471	0.5
154.03519	1.1
154.26811	0.5
155.05478	0.7
156.08069	1.0
157.08411	0.9
157.10100	0.6
159.05049	0.9
159.11647	1.4
163.03882	1.2
167.05594	0.9
169.07043	1.1
173.06616	1.6
173.13277	0.9
175.08223	0.6
175.09654	0.6
177.06084	0.5
178.08646	1.0
179.09067	1.4
183.08752	0.5
185.06604	0.6
187.08186	2.3
191.07439	1.6
191.09181	0.6
193.10780	0.6
195.08606	0.6
197.10258	1.7
199.08134	0.7
201.07953	0.6
201.09698	2.4
201.11330	0.9
205.09201	1.4
205.10893	1.0
209.10291	1.0
211.11708	0.7
213.09679	1.2
215.11259	6.5
215.13094	0.6
216.31273	0.5
219.08760	0.7
219.10637	0.9
219.12506	0.8
223.11789	0.9
225.13277	0.7
227.11259	2.4
229.12814	4.0
231.12347	1.3
233.10289	0.5
233.14018	1.0
236.12456	0.7
237.13153	0.6
241.12822	1.0
243.14433	1.8
247.11838	3.6
247.14044	0.9
249.13361	1.2
254.13892	0.6
256.26346	0.9
259.11624	0.6
261.13300	2.8
261.17206	1.1
269.17566	1.3
274.13812	0.5
275.14874	2.0
276.06445	0.9
279.14465	1.0
285.13593	0.6
285.16931	0.7
286.00708	0.6
287.05502	5.1
287.14932	0.6
287.18463	0.7
289.16418	1.5
293.15973	1.2
297.17026	5.9
298.16873	0.7
299.18533	47.5
300.18802	3.0
301.16525	0.9
301.20142	2.2
303.18079	1.1
313.16534	3.5
313.19757	0.7
315.18091	28.8
316.18213	1.7
317.19617	100.0
318.19812	6.3
319.21152	4.8
327.18161	0.9
329.19586	1.4
331.21124	0.7
333.19510	2.3
334.17761	1.7
335.20676	46.6
336.21054	3.4
337.22366	0.8
338.19571	3.5
340.21219	18.6
341.19992	0.6
342.22632	1.0
343.21310	0.7
352.18655	0.7
353.22116	1.4
355.06915	0.9
355.21176	1.0
357.22830	1.7
358.22314	3.4
365.23071	0.5
369.22638	1.1
371.24292	1.2
381.22324	1.2
383.11063	0.8
383.24417	1.2
385.25946	0.5
391.24722	0.9
395.24426	1.3
397.25803	0.7
409.25708	1.6
423.27426	0.9
432.27240	0.7
437.29028	0.7
450.26303	0.5
467.29846	0.5
479.29691	0.8
491.30032	0.8
505.31244	0.8
519.32806	0.7
575.39429	13.0
576.39844	1.1
593.40283	2.0
611.33783	1.1
612.34833	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81421	1.7
55.05494	3.0
55.54930	1.5
63.43911	1.6
63.44317	1.9
67.05491	6.5
68.33918	1.9
69.07051	2.4
70.55753	3.3
79.05467	2.9
81.07060	4.7
91.05428	2.7
93.07042	4.5
95.08604	5.2
105.07005	2.8
107.08598	3.7
117.06984	2.1
119.08579	2.6
121.10166	2.2
129.06963	1.9
129.08322	1.9
131.08571	2.7
133.10083	2.8
143.08467	2.2
144.77193	1.7
145.10126	2.1
173.13251	2.1
212.24940	1.8
212.35789	2.0
231.14500	1.7
287.05582	1.9
317.20706	2.9
332.56900	2.0
333.20270	2.8
389.78903	1.9
545.01569	1.7
593.41638	29.0
594.41180	2.2
611.42639	100.0
612.42883	6.9
637.53247	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82048	0.3
55.05508	0.6
60.26844	0.3
67.05513	0.7
73.04736	0.5
79.05527	0.6
81.07055	0.8
82.05583	0.3
93.07038	0.7
95.08631	0.7
104.17031	0.3
109.20528	0.5
115.25581	0.4
118.13426	0.4
122.49120	0.5
142.37996	0.4
193.76785	0.4
201.68336	0.4
315.19223	1.1
317.20914	1.6
484.86172	0.4
552.79388	0.5
593.41687	21.9
594.42059	1.3
611.42767	100.0
612.43158	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	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97989	1.9
53.74648	1.6
54.87215	2.2
55.01890	2.9
55.05508	21.0
57.03437	4.8
57.07075	4.2
58.63639	1.9
63.91064	2.2
67.05503	28.8
69.07059	14.7
69.37542	9.3
79.05490	19.5
81.07056	31.3
81.12649	1.6
83.08612	6.5
85.97136	1.7
89.59569	1.9
91.05453	18.2
93.07040	24.3
95.04995	3.9
95.08605	22.6
95.34700	1.6
97.10175	4.0
101.88885	1.8
105.07005	19.7
107.08588	14.5
109.10133	9.3
113.34403	1.7
115.05471	2.4
115.17846	1.9
117.07011	11.6
119.08571	18.7
121.10144	7.6
123.08009	2.2
128.06163	2.9
129.07008	13.2
131.08578	21.9
133.10139	12.7
135.11708	4.5
141.06995	4.3
141.76392	1.8
143.08551	20.1
145.10098	22.4
147.11690	7.4
149.13271	3.4
155.08572	8.9
157.10098	13.1
159.11671	11.7
161.13260	6.2
167.08611	2.9
168.09271	2.8
169.10130	11.1
171.11650	9.9
173.13281	6.4
175.14868	2.5
177.16423	2.1
181.10155	2.9
183.11702	11.8
185.13258	8.3
187.14894	4.6
189.16313	3.1
191.17798	2.3
195.11707	2.9
197.13239	6.1
199.14838	5.2
201.16301	2.6
203.17970	2.1
211.14885	2.3
213.16418	4.3
223.15034	3.2
225.16408	2.9
227.17883	4.4
249.16312	2.4
325.25143	2.3
333.20413	4.0
355.07040	2.1
519.41840	9.5
537.42859	5.0
593.45758	10.9
611.46979	100.0
612.46680	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	612.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
57.03432	0.6
57.86921	0.2
63.02374	0.4
67.05486	0.2
69.03427	0.9
69.07047	0.2
69.44588	0.5
69.45000	0.4
71.04986	2.2
73.02867	0.2
79.05479	0.6
81.03422	2.5
81.07060	0.5
85.02901	2.7
86.03221	0.2
89.03912	3.4
91.05463	0.4
91.93562	0.2
93.07069	0.2
95.04963	0.4
97.02885	0.7
99.04442	0.5
103.40686	0.2
105.07020	0.3
107.04959	1.5
107.08579	0.5
109.02895	1.6
111.08073	0.4
116.70814	0.2
117.03375	5.0
121.10091	0.3
123.11718	0.3
127.03906	0.5
129.05467	0.5
133.10164	0.2
135.04410	12.1
135.11719	0.3
137.02176	0.2
137.06007	0.4
141.07306	0.2
145.02843	9.7
147.04420	0.2
151.03873	0.2
153.01825	1.8
154.02145	0.4
163.03896	100.0
164.04247	1.9
167.07021	0.3
171.02925	0.4
177.05493	1.1
178.05859	0.5
179.03348	0.2
181.04947	4.8
195.02921	0.7
196.03323	0.3
217.15955	0.2
235.16943	0.5
243.48784	0.2
253.18057	0.9
267.17108	0.2
281.06259	0.2
287.05606	0.4
294.44043	0.2
303.08548	1.6
304.08948	2.5
307.08130	3.5
325.09167	9.1
326.09436	0.2
400.03934	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	612.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61784	0.2
55.05505	0.3
57.03434	0.3
67.05494	0.7
69.07048	0.3
79.05478	0.5
81.07047	0.6
83.08617	0.3
91.05435	0.3
93.07036	0.5
95.08604	0.7
97.10134	0.3
98.98452	1.6
100.11489	0.2
105.06976	0.2
107.08601	0.4
118.06489	0.2
120.08105	7.6
121.10119	0.2
123.92344	0.2
124.99999	6.4
131.07326	0.4
132.07974	0.2
144.08093	0.3
146.09644	39.4
146.41556	0.2
147.10063	0.5
148.07558	0.6
148.11201	0.4
152.10699	4.4
163.11171	0.2
164.10716	2.4
178.12262	47.7
179.12561	0.9
196.13326	6.1
198.97446	1.3
198.99095	0.2
227.12730	0.2
244.07335	1.6
276.09949	100.0
277.10260	1.6
280.05991	0.2
288.05829	0.2
317.20847	2.6
318.21173	2.9
335.20663	0.5
336.20847	0.6
351.24942	0.2
391.72824	0.2
477.28030	0.4
527.23358	0.8
529.31543	0.2
594.34619	1.1
612.35883	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01828	0.1
55.05458	0.1
58.60801	0.1
65.03912	0.1
67.01807	0.5
67.05443	0.3
68.99763	0.4
69.03377	0.3
69.09816	0.3
69.10234	0.4
79.05434	0.4
81.03356	0.3
81.07004	0.2
82.60126	0.1
82.74309	0.1
85.02838	0.4
85.06487	0.1
89.03856	0.2
91.05479	0.6
93.07027	0.1
94.44749	0.1
95.04987	0.6
95.08529	0.2
97.02841	0.2
99.04414	0.2
103.05439	0.1
105.06958	0.3
107.04967	0.8
107.08567	0.2
109.02827	0.3
109.06508	0.1
109.10032	0.1
111.04374	0.3
116.01606	0.1
116.47269	0.1
117.03327	0.2
117.06955	0.3
119.04945	2.7
120.05232	0.2
120.08102	0.1
120.13435	0.1
121.02862	0.7
121.06484	0.2
123.04433	1.5
124.04743	0.5
127.03864	0.3
129.01787	0.2
135.03511	0.1
135.04430	1.4
137.05917	0.4
139.03867	0.2
145.02849	0.9
145.04883	0.3
145.06451	0.3
147.04408	4.1
148.04689	0.2
151.07513	0.1
153.01823	5.3
153.05440	1.1
157.06387	0.1
161.02307	0.1
161.05887	0.2
163.02676	0.2
163.03918	2.8
164.04234	0.7
165.05482	1.9
166.05798	0.8
167.06964	0.3
171.02898	0.6
173.05904	0.3
174.06465	0.1
179.03386	0.1
181.04883	0.3
189.09108	0.1
191.06987	0.2
201.05312	0.1
203.07147	0.1
209.08070	0.2
219.06558	0.1
219.10115	0.2
225.05405	0.4
229.04953	0.3
235.07451	0.2
243.06546	0.3
271.05997	100.0
272.06317	2.2
286.04663	0.1
287.05499	14.3
288.05862	0.4
291.08594	0.2
295.09766	0.2
309.09705	0.2
325.09439	0.2
327.12445	0.3
355.11569	0.2
356.11813	0.1
401.12396	0.2
402.12982	0.2
433.10773	0.2
451.10458	0.2
595.14673	0.2
613.15271	2.1
613.33044	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	613.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00322	0.3
53.03943	0.3
55.05509	0.2
57.03409	0.2
63.02349	0.3
66.89851	0.2
67.01869	1.4
67.02158	0.2
68.99796	0.5
69.03425	1.1
69.07064	0.3
69.88673	0.5
71.05027	0.3
72.22432	0.2
72.86999	0.2
77.03940	0.2
79.05473	1.2
81.03416	2.7
81.07043	0.3
85.02913	1.8
89.03911	5.0
91.05482	0.6
95.04951	0.8
95.08599	0.5
97.02874	0.5
97.06483	0.3
103.05473	0.3
105.04550	0.3
105.06998	0.3
107.04936	1.9
109.02876	1.7
109.10142	0.3
111.00800	0.3
111.04475	0.3
115.05451	0.5
117.02560	0.5
117.03378	6.9
117.07001	0.3
119.04910	0.5
121.02907	0.3
123.04425	0.9
125.02409	0.4
127.03905	0.4
131.04947	0.3
135.04411	14.3
135.11751	0.2
136.07440	0.2
137.05975	2.1
139.03859	0.2
145.02843	10.8
145.06488	0.4
147.04422	0.4
149.05986	0.3
151.03909	0.7
153.01819	13.2
153.05476	0.3
155.06006	0.3
161.05989	0.6
163.03893	100.0
164.04248	1.9
165.01869	0.6
165.05496	0.4
167.07027	5.5
171.02887	5.3
173.05954	1.7
175.07454	0.2
177.01813	0.2
177.05464	0.3
179.03401	0.8
181.04948	5.7
187.07573	0.2
191.07034	0.6
195.02879	5.2
205.08607	0.4
217.08549	0.3
219.02824	0.4
235.09726	0.4
259.09702	0.4
261.03955	0.8
267.10129	0.3
271.05957	3.2
287.05518	1.1
288.05847	0.5
289.07031	8.3
290.07071	0.2
295.09763	0.4
307.08096	4.4
313.07111	0.4
325.09012	2.4
327.12427	0.3
331.08078	1.7
355.08008	0.5
357.13184	0.3
379.08075	0.3
385.12714	0.8
387.14310	1.0
397.09064	0.4
417.15259	0.6
433.11066	0.2
569.12354	0.3
612.32306	0.2
613.22321	2.4
613.30231	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	0.1
65.33479	0.1
67.01868	0.3
67.05492	0.2
67.37603	0.1
68.99802	0.3
69.03423	0.4
69.11683	0.6
70.06608	0.2
79.05483	0.3
81.03427	0.5
85.02909	0.4
89.03903	0.2
91.05462	0.6
95.04957	0.4
95.08605	0.1
97.02877	0.3
98.23437	0.3
98.64445	0.1
107.04949	0.9
109.02837	0.2
109.10175	0.2
111.04470	0.2
117.03395	0.3
117.07007	0.2
118.33896	0.1
119.04919	1.9
119.08585	0.2
120.05300	0.1
120.08049	0.2
121.02866	0.8
123.04442	1.1
124.04763	0.2
127.03900	0.3
131.04883	0.2
133.10150	0.1
135.04433	1.2
137.05983	0.3
139.03874	0.3
145.02832	1.1
145.04886	0.2
145.06497	0.3
145.10277	0.1
147.04410	2.9
148.04758	0.3
151.03960	0.2
153.00630	0.3
153.01828	4.3
153.03079	0.2
153.05446	1.2
161.06021	0.1
163.03906	4.5
163.05296	0.3
164.04251	1.0
164.06976	0.1
165.05501	1.7
166.05841	0.8
166.07146	0.1
167.07001	0.2
171.02873	0.4
173.05916	0.3
181.05031	0.6
187.04021	0.1
189.12592	0.1
203.07011	0.2
219.06668	0.1
219.10324	0.1
225.05484	0.2
229.04897	0.2
253.14398	0.1
271.05997	100.0
272.06345	3.3
274.58688	0.1
286.04669	0.1
287.05496	9.7
288.05786	0.5
291.08691	0.3
295.09842	0.2
325.09189	0.3
327.12314	0.2
330.30386	0.1
433.10992	0.3
451.09882	0.3
496.11319	0.1
595.14398	0.2
613.15210	2.1
613.24207	0.2
613.34808	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.2
55.01872	0.2
55.05507	0.2
57.03433	0.2
59.05037	0.1
61.02926	0.1
63.02096	0.1
63.02389	0.4
64.02431	0.1
67.05485	0.3
69.03425	1.3
69.07062	0.3
69.13609	0.6
71.04980	0.4
73.91135	0.1
77.03917	0.1
79.05492	1.2
81.03419	2.1
81.07060	1.0
83.04964	0.6
83.08629	0.1
85.02896	1.5
85.06567	0.2
89.03913	4.1
91.05488	0.4
93.07043	1.1
95.04981	0.6
95.08604	1.3
97.02887	0.5
97.06522	0.8
99.04453	0.7
103.05486	0.1
105.04542	0.2
105.07024	0.6
107.04953	1.8
107.08595	0.7
109.02871	0.9
109.06528	0.8
109.10168	0.2
111.08080	0.5
117.03375	5.8
119.04929	0.1
119.08578	0.6
121.06503	1.6
121.10157	0.1
123.04434	0.3
123.08057	0.2
123.11688	0.3
125.06004	0.6
127.03918	0.4
127.07554	0.2
131.08577	0.2
133.10141	0.4
135.04411	12.3
135.08047	0.3
137.05992	0.4
139.07532	0.7
143.07069	0.7
143.08553	0.2
145.02841	10.3
145.10109	0.2
146.03181	0.2
147.04370	0.2
147.11687	1.0
149.13304	0.1
149.83302	0.1
151.11237	0.1
153.01851	0.3
154.02333	0.1
157.08603	0.5
157.10107	0.3
159.06532	0.5
161.05934	0.2
161.13242	0.3
163.03897	100.0
164.04224	1.1
165.12773	0.4
167.07019	0.3
167.92294	0.1
169.07677	0.1
169.12242	0.5
171.11618	0.5
173.09579	0.2
175.07590	0.1
175.11200	0.8
181.04955	3.4
186.05487	0.2
189.12752	0.6
193.12245	0.8
199.11234	0.8
201.05464	0.1
207.13834	0.6
207.15662	0.1
211.13260	1.1
217.04807	0.1
217.10085	0.1
217.12204	2.8
229.14284	0.6
235.13283	4.8
253.14337	5.7
271.06000	0.4
271.15408	0.8
287.05493	5.6
288.05771	1.5
289.06006	1.3
289.16534	0.6
307.04819	0.2
307.08121	2.4
325.09164	6.2
327.12311	0.1
335.13889	0.1
355.15533	0.2
613.21863	0.2
613.34601	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	613.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31331	1.8
56.96569	33.1
67.05497	3.2
71.45062	1.8
81.07050	4.2
84.96040	4.1
87.92426	1.9
90.71555	2.1
93.07066	2.9
95.04961	2.2
95.08601	2.5
98.91953	3.6
98.97583	73.2
100.78075	2.0
105.07036	2.7
110.97582	6.1
112.99128	29.1
115.97848	1.8
116.98610	28.6
121.10086	2.3
124.99056	2.6
128.98619	8.3
130.99271	3.2
131.00171	37.6
134.99669	10.2
140.00145	4.1
143.00180	9.6
146.99646	3.9
149.01219	26.5
154.01785	3.1
158.99672	34.9
161.01224	10.7
167.02316	3.9
170.99619	3.2
172.02791	3.8
173.01241	7.8
175.02867	2.5
177.00691	27.4
185.01230	3.2
189.00772	3.7
191.02275	8.6
195.01794	3.9
199.02809	7.4
200.02332	5.6
203.02345	6.3
209.01198	3.0
215.02356	3.0
217.03801	5.3
219.01802	7.1
227.02333	4.4
233.03448	2.2
237.02870	5.1
275.04361	20.6
293.05420	51.0
311.06400	9.3
316.07007	7.7
317.17865	100.0
318.17963	3.6
334.08179	2.1
335.18903	30.5
337.27515	4.0
358.20581	11.9
377.19916	7.0
391.21426	2.4
466.54416	2.2
497.24167	3.4
537.30688	3.1
553.26892	70.5
554.27228	5.1
613.38080	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	614.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81905	1.6
53.03951	2.6
53.42961	1.5
55.01866	3.4
55.05502	5.3
57.03440	2.0
66.93090	1.6
67.05499	6.9
69.03427	4.8
69.07058	6.1
71.01339	2.7
71.04979	1.8
79.05485	13.8
81.03418	3.5
81.07063	11.5
83.08632	2.3
85.02888	7.5
85.06532	2.7
91.05472	15.3
93.07051	6.1
95.04971	10.5
95.08615	9.4
97.02863	2.2
97.06520	2.4
103.03928	2.5
103.05466	4.6
105.03402	1.9
105.04532	2.3
105.07035	6.0
106.95309	1.5
107.04957	7.0
107.08588	6.1
109.02871	3.3
109.06518	5.7
109.10165	6.7
111.11723	1.7
113.74989	1.7
115.05446	6.1
117.07033	4.4
119.04946	18.7
119.08540	5.0
121.06512	5.8
121.10133	4.4
123.04469	4.9
123.11688	3.2
127.03954	1.8
128.06259	5.2
129.06975	11.1
131.04875	3.6
131.08565	4.5
133.02866	4.8
133.06487	6.6
133.10124	2.7
135.04431	5.4
135.11696	2.7
137.05981	6.3
141.07016	5.3
142.07858	1.9
143.08542	5.8
144.05702	5.6
145.02838	1.9
145.06487	6.1
145.10130	3.0
147.04399	99.6
147.07988	3.4
149.13251	2.2
151.03903	9.3
153.01842	3.6
153.06963	8.1
154.07822	2.1
155.05949	2.3
155.08685	3.6
157.06482	7.5
157.10066	4.0
158.07294	2.4
159.04425	6.6
159.08063	2.9
161.05998	3.9
163.03883	17.4
163.14633	2.1
164.04283	2.1
165.05473	100.0
165.06937	7.4
166.07874	4.7
167.07053	16.3
167.08574	5.0
168.05891	2.6
168.07333	3.2
169.06476	2.9
171.08064	5.0
173.05956	7.1
175.07556	4.9
176.04686	4.2
177.05482	4.3
178.07733	3.0
179.08521	4.1
181.04959	5.3
181.06491	7.2
181.10112	5.4
182.05318	3.5
183.06563	2.1
183.08058	2.0
185.05981	9.7
185.09503	1.7
189.05466	6.5
190.07709	4.1
191.06963	3.4
191.08574	2.8
195.08125	3.4
197.05978	2.7
199.07518	7.7
199.11243	2.8
201.05376	2.4
202.07677	2.1
203.03413	4.1
203.07010	13.4
205.10149	2.3
209.05978	7.2
209.09636	4.5
211.07512	3.6
213.05408	9.3
213.09036	1.8
217.04962	6.0
217.08549	3.9
221.09601	2.1
223.07515	1.8
223.11250	2.6
227.07098	9.9
229.08563	2.3
230.93037	1.8
233.09666	4.7
235.09679	4.9
235.13345	3.1
237.05440	5.0
237.09132	8.4
239.07065	2.1
241.08559	2.4
245.04503	3.2
246.05098	1.8
247.24304	2.5
251.10733	2.7
253.14389	3.7
255.06532	13.8
255.10081	3.8
255.23195	2.3
259.09744	2.1
261.09186	5.7
265.04889	4.5
265.08633	6.3
265.25314	2.7
269.08139	4.7
269.11716	2.5
271.05890	17.6
273.07535	2.3
279.10092	8.5
283.06100	6.0
283.09659	10.3
284.26682	2.0
287.05502	18.6
287.09125	9.2
289.08633	3.9
291.08813	3.0
297.07596	4.3
297.11249	6.8
307.09525	5.7
309.09662	6.4
315.08563	19.5
315.12265	34.8
321.10913	1.8
325.10623	6.4
333.09711	4.0
335.09085	7.2
339.12158	3.5
347.07306	2.7
347.11215	21.3
348.92120	2.1
349.10611	5.2
357.13242	4.1
367.11853	17.5
385.12839	17.5
399.14386	7.1
417.15057	2.6
614.22180	2.8
614.32947	4.7
614.42456	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	614.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
55.01865	0.5
55.05505	0.3
56.70935	0.2
58.31120	0.2
63.14735	0.2
65.03925	0.8
66.87053	0.2
67.05488	0.8
69.03422	1.0
69.07063	0.5
69.20503	0.2
71.01362	0.3
71.03664	0.2
71.04982	0.5
71.45258	0.3
75.43757	0.3
79.05486	1.3
81.03408	2.4
81.07062	1.4
83.01341	0.3
83.04974	0.5
85.02895	2.0
89.03908	0.4
91.04935	0.5
91.05475	6.5
93.07050	1.4
94.81212	0.3
95.04948	1.2
95.08597	1.2
97.02881	1.0
97.06520	0.4
99.04452	0.5
103.05451	0.4
105.07008	0.9
107.04951	1.1
107.08589	0.6
109.02866	1.2
109.06485	0.9
109.10179	0.4
111.08078	0.3
115.05450	0.9
116.06220	0.3
117.03339	0.3
117.07011	0.8
119.04933	15.9
119.08584	0.6
121.06495	1.3
121.10120	0.4
123.04413	0.9
127.03931	0.6
127.07660	0.3
128.06204	0.8
129.07002	0.7
131.03525	0.2
131.04930	0.8
131.08540	0.3
133.02814	0.4
133.06473	0.7
133.10152	0.5
135.04404	1.1
135.08014	0.4
135.11749	0.3
137.05940	0.8
139.07588	0.3
141.06975	0.4
143.08563	0.4
144.05713	0.5
145.02841	0.8
145.06467	0.9
147.04398	100.0
147.11649	1.1
148.04727	1.4
149.05904	0.3
151.03853	1.2
153.01837	1.1
153.05421	0.4
153.06984	0.5
155.06046	0.5
155.08511	0.3
157.06494	0.7
157.10136	0.5
159.04362	0.5
161.06046	0.3
163.03888	3.7
164.04185	1.3
165.05473	11.1
165.06931	0.6
167.05711	0.5
167.07040	5.4
167.08382	0.4
168.07370	2.4
169.06421	0.4
171.07965	0.4
172.03284	0.3
173.05914	1.4
173.93980	0.2
174.06322	0.5
175.07509	0.4
175.11188	0.5
176.04659	0.3
177.05402	0.3
181.04945	2.0
181.06419	0.5
181.10106	0.6
182.05266	0.7
183.08028	0.3
185.05986	1.0
185.09590	0.3
189.05432	0.8
189.12700	0.3
191.07018	0.6
193.12189	0.6
199.07495	0.5
199.11217	0.6
203.06966	1.2
203.08693	0.4
205.08525	0.3
207.13661	0.3
209.06041	0.6
209.09633	0.6
211.13266	0.6
213.05420	0.9
217.04915	0.5
217.12286	1.6
227.07043	1.0
229.14389	0.7
233.09685	0.4
233.92841	0.3
235.09624	0.6
235.13235	3.3
235.15398	0.3
237.05457	0.4
237.09058	0.4
239.06844	0.4
241.08565	0.4
245.04630	0.3
245.07938	0.3
253.08730	0.5
253.14351	5.6
255.06535	1.6
255.23337	0.3
258.05252	0.3
261.09033	0.4
265.08630	0.7
269.08124	0.4
271.15421	1.1
273.07605	0.4
279.10199	0.7
283.06088	0.4
283.09787	0.9
286.04709	0.3
287.05511	0.7
287.09042	0.9
289.06870	0.4
289.16327	1.4
290.07413	0.4
291.08609	2.5
297.07629	0.4
297.11203	0.6
301.07437	0.3
307.09677	0.7
309.09647	9.9
315.08554	1.8
315.12244	3.5
325.10852	0.6
333.09396	0.3
335.09171	0.9
339.12119	0.7
347.11261	2.7
349.10706	0.4
353.10229	0.5
355.15247	0.3
357.13284	0.4
367.11746	1.6
385.12875	2.2
386.13037	0.8
390.39603	0.3
399.14371	0.5
409.84729	0.3
417.15302	0.4
418.15848	0.3
453.11472	0.5
545.17358	0.3
587.91956	0.3
614.22552	3.4
614.30695	0.5
615.22839	0.4
629.87714	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	614.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01870	0.5
57.01282	0.4
57.03432	0.4
65.03927	1.3
65.04253	0.4
67.05490	0.8
69.03415	1.7
69.07063	0.6
69.89722	1.1
71.04978	0.4
74.54108	0.4
77.76965	0.3
78.04703	0.4
79.05479	1.6
81.03416	2.4
81.07038	1.4
85.02893	2.4
89.03981	0.4
91.04942	0.6
91.05477	7.1
93.07040	1.0
95.04955	1.6
95.08604	1.4
97.02902	0.8
97.06509	0.4
99.04456	0.8
103.05438	0.5
105.07014	1.2
106.04266	0.4
107.04944	1.2
107.08578	0.4
109.02879	1.5
109.06505	1.0
109.10133	0.4
114.92193	0.4
115.05454	0.9
117.03388	0.4
117.07013	1.5
118.07343	0.4
119.04939	16.0
119.08611	0.7
121.06510	1.6
123.04419	1.6
124.05296	0.3
125.05948	0.7
127.07565	0.4
128.06223	0.8
129.06990	1.3
131.04910	0.5
131.08586	0.7
133.06483	0.7
135.04405	1.2
135.08064	0.5
137.05957	1.2
139.07433	0.4
141.06956	0.7
143.07036	0.4
143.08582	0.7
144.05788	0.4
145.02858	0.4
145.06435	1.1
146.06813	0.6
147.04398	100.0
147.11668	0.7
148.04765	1.7
151.03943	1.3
153.01823	1.2
153.05502	0.8
153.06978	0.7
155.06024	0.9
155.08527	0.4
157.06520	0.7
157.08585	0.4
161.05905	0.6
163.03952	3.7
164.04221	1.1
165.05482	13.2
165.06952	1.1
166.05780	0.5
167.05728	0.6
167.07045	8.6
167.08427	0.4
168.07372	3.5
169.06448	0.4
169.12267	0.5
171.08084	0.8
173.06007	1.9
174.06352	1.2
175.03928	0.4
175.07538	0.5
175.11169	0.5
176.04663	0.5
177.05476	0.5
179.08430	0.5
181.04953	3.4
181.06406	0.6
182.05272	0.9
185.05981	1.3
189.05498	0.9
189.12854	0.3
191.07043	0.6
193.12221	0.4
194.07127	0.5
199.11118	0.9
203.07042	1.2
209.05988	0.9
209.09657	0.5
211.07529	0.5
213.05460	1.4
217.04916	0.7
217.08624	0.5
217.12251	1.0
227.07059	1.2
229.14188	0.5
234.08502	0.6
235.09572	0.7
235.13239	3.0
237.05482	0.6
237.09096	0.6
253.14349	4.8
255.06491	1.9
255.10268	0.4
265.08569	1.0
269.08203	0.4
271.15381	0.9
279.10114	0.5
283.06226	0.9
283.09583	1.3
286.04581	0.6
287.05444	1.1
287.09137	1.1
289.16348	1.0
291.08472	2.4
301.61942	0.4
309.09665	7.9
315.08609	2.1
315.12262	3.7
339.12344	0.6
346.19318	0.4
347.11240	2.0
355.15378	0.5
367.11688	1.5
385.12766	2.1
386.12997	1.7
388.14606	0.5
417.15503	0.4
418.15659	1.2
453.11703	0.8
614.22931	5.3
614.32111	0.7
615.22064	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36364	1.2
55.01868	2.4
55.05518	7.5
57.03422	1.8
62.34329	1.0
64.81707	1.1
67.05505	6.0
69.03432	6.7
69.07056	4.0
70.58174	2.5
71.04993	3.3
79.05477	6.2
80.05813	1.1
81.03407	5.1
81.07047	11.0
83.04980	2.1
83.08617	3.0
85.02903	7.9
85.06557	2.1
86.09681	2.1
86.46814	1.3
87.04470	3.4
89.03901	4.8
91.05466	5.8
93.03371	1.4
93.07034	5.3
95.04947	5.6
95.08616	4.5
97.02889	6.7
97.06525	3.4
97.10156	2.3
99.04482	1.7
99.08060	1.5
105.04512	1.4
105.07020	4.3
107.04948	5.6
107.08591	3.7
109.02874	2.0
109.06535	2.6
109.10130	2.0
111.04418	2.8
111.08126	1.2
115.03934	6.0
115.05454	2.4
117.03363	5.5
119.04876	1.3
119.08564	3.2
121.06478	3.5
121.10126	1.7
123.04463	2.7
123.08023	1.4
125.09589	1.6
127.03931	2.4
128.06218	1.5
129.06992	2.0
131.04889	1.9
133.04953	4.2
133.06519	2.9
133.10146	1.7
135.04416	16.9
135.08075	1.9
136.04744	5.2
137.05957	4.7
145.02808	11.3
145.04950	2.9
145.06387	1.8
145.10117	2.1
146.03180	4.2
147.04382	12.1
147.11685	1.7
149.05988	1.2
149.09593	1.9
151.03883	2.9
151.07513	1.3
153.01845	3.6
153.07005	1.8
155.04863	1.5
155.08511	1.8
157.06448	1.9
159.04492	1.4
161.06009	6.7
161.09692	1.2
163.03899	100.0
163.11223	1.3
164.04240	33.7
165.05592	2.8
165.06975	1.6
167.07092	2.8
167.08498	1.5
169.06448	2.5
171.08008	1.2
173.05945	17.6
175.03873	8.0
175.07552	3.9
177.05423	8.0
179.07112	1.3
181.04941	4.9
181.06483	5.3
183.04378	1.8
183.08090	1.6
185.05972	7.0
187.07518	7.2
189.05481	3.9
191.06963	4.0
191.10745	1.7
193.06407	1.2
193.08549	1.9
195.08073	2.2
197.05951	7.3
198.06673	1.5
199.03868	4.1
199.07516	6.7
201.05470	13.8
201.09070	1.6
203.06993	7.3
207.06427	2.6
209.06129	1.4
209.08163	1.5
211.07556	4.0
213.05441	25.1
213.08879	2.4
214.05890	1.3
215.07060	10.3
217.04947	18.2
217.08504	3.4
218.12596	2.2
221.09833	1.5
223.07445	2.8
223.13461	1.2
225.05399	7.5
225.09045	1.7
226.06236	1.9
227.07007	16.5
229.05022	1.4
229.08664	2.4
235.07445	1.9
235.13321	2.7
236.13594	2.2
239.07010	5.1
241.05034	1.9
243.06529	4.2
245.08127	1.5
249.12805	1.7
251.06929	1.4
251.10576	1.4
253.08495	2.8
253.14369	3.5
254.14688	2.3
265.12115	3.8
267.13803	4.9
281.15564	1.9
283.13339	3.3
287.05441	13.7
288.05856	14.8
289.06073	12.0
290.06375	7.1
291.13724	4.9
293.11697	2.9
295.10129	1.6
295.13272	4.2
309.14822	6.7
311.12772	10.2
313.14383	2.1
319.13269	4.0
325.09045	3.4
326.09424	3.0
327.15875	5.5
329.13797	22.5
337.14282	26.3
339.15823	2.8
340.12326	1.8
343.15503	7.4
355.15384	60.4
356.15762	2.4
357.17001	2.4
361.16379	12.8
369.17023	2.6
373.16464	12.4
387.17972	4.8
529.20117	1.5
614.21454	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	615.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17541	0.8
55.86271	0.7
67.05508	1.0
69.07052	1.5
70.03840	0.8
70.04179	1.8
81.07054	2.4
91.05486	1.3
93.07062	1.5
95.04986	1.0
95.08598	2.1
105.07056	1.2
107.08613	1.4
109.06511	0.9
119.08620	1.0
121.10108	0.9
139.23621	1.2
167.07074	1.6
185.03825	0.8
268.53598	0.9
317.11432	0.8
435.34894	1.0
545.14496	4.8
546.14447	1.3
615.18243	100.0
616.18591	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	615.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.2
64.46914	0.2
67.01860	0.4
67.05500	0.7
68.99783	0.6
69.03414	0.4
69.07070	0.3
71.05012	0.2
72.09649	0.2
72.50049	0.2
79.05488	0.3
81.03406	0.9
81.07069	0.9
85.02890	0.2
87.04478	0.2
91.05466	0.5
93.07044	0.5
95.04968	0.4
95.08615	0.5
97.02900	0.6
105.07033	0.4
107.08605	0.3
108.31609	0.2
109.02874	0.5
109.06509	0.3
109.10146	1.1
119.04942	1.2
119.08569	0.4
121.02840	0.7
121.10116	0.4
127.03951	0.2
137.06010	0.3
137.09624	1.8
145.02843	0.8
145.10110	0.3
153.01830	4.9
163.03937	0.6
165.05385	0.3
165.09102	1.7
167.07037	0.4
171.02899	0.6
177.05496	0.3
183.10147	0.2
225.05421	0.3
243.06419	0.3
271.06003	100.0
272.06348	2.4
287.05396	0.4
327.14365	0.3
355.15381	0.4
356.15503	0.2
447.82098	0.2
528.85645	0.2
615.20740	0.7
615.29022	0.7
615.37512	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2076
Annotation	Resinoside A
Peak:m/z	Relative Intensity
53.03951	0.2
55.05499	0.5
57.07062	0.2
65.03929	0.2
66.35571	0.2
67.01873	0.5
67.05504	1.1
68.99812	0.5
69.03428	0.6
69.07068	0.9
69.54887	0.7
71.05013	0.2
79.05489	1.6
81.03423	1.0
81.07057	2.6
83.04968	0.2
83.08627	0.4
85.02876	0.9
85.06525	0.3
91.05473	1.3
93.07045	4.9
95.04958	0.5
95.08605	1.7
97.02885	0.6
97.06532	0.3
97.10170	0.2
98.23430	0.2
99.08096	0.2
105.07040	1.3
107.04987	0.3
107.08589	1.9
109.02891	0.5
109.06508	0.4
109.09458	0.2
109.10118	0.9
111.08074	0.5
117.06995	0.4
119.08592	1.1
121.06512	0.5
121.10140	4.4
123.08070	0.8
123.11711	0.6
125.05998	0.2
126.56692	0.2
127.03889	0.3
129.01831	0.2
131.04990	0.2
131.08597	0.9
133.10126	0.6
135.04436	1.3
135.08035	0.4
135.11668	0.6
137.02347	0.6
137.05937	1.0
137.09570	0.3
137.13303	0.3
138.25546	0.2
139.07632	0.2
139.11230	0.2
145.04974	0.2
145.10112	0.7
147.11696	0.6
149.09615	2.9
149.13255	0.5
150.57005	0.2
153.01823	5.4
157.10118	0.5
159.11713	0.5
161.02342	0.8
161.09578	0.2
161.13260	0.5
163.03876	0.9
163.11180	0.4
165.01799	0.2
165.05440	0.2
167.06998	0.5
167.10677	0.3
171.02931	1.0
171.11740	0.3
175.11211	0.3
177.05501	0.2
177.12801	0.3
185.13283	0.2
187.11188	0.3
189.12648	0.2
191.07054	0.4
191.14423	0.2
203.14281	0.4
209.07971	0.2
213.05328	0.2
219.06458	0.4
241.04892	0.7
243.17535	0.2
245.18987	0.2
255.23079	0.2
257.19116	0.3
262.22556	0.2
269.04388	0.2
271.05905	0.5
287.05484	100.0
288.05807	2.9
293.13815	0.6
299.05496	3.2
311.15005	0.5
355.15131	0.2
359.14804	0.2
381.31583	0.4
399.32535	1.3
417.33618	1.2
435.14334	0.7
435.33777	0.4
583.26971	0.6
597.19568	1.1
615.29553	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	615.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51303	0.5
55.01656	0.6
55.01874	7.1
55.05495	1.6
55.66413	0.5
65.03925	2.9
67.05515	3.1
69.03413	1.0
69.07058	2.4
69.08978	4.0
71.04984	1.0
77.03918	0.6
79.05489	3.3
81.03407	1.0
81.07056	7.1
83.04967	1.1
83.08614	0.9
85.02902	2.3
85.06561	1.5
89.03900	0.7
91.05469	6.7
91.98560	0.5
93.07062	4.3
95.04977	3.8
95.08614	5.1
97.02914	1.0
97.06543	1.6
97.10199	0.6
99.04432	0.6
102.04676	0.5
103.05463	18.4
105.03389	0.9
105.07037	6.6
106.04173	0.6
107.04954	4.5
107.08621	3.5
109.02841	0.7
109.06476	1.3
109.10146	2.7
110.03661	0.7
111.08006	0.7
115.05455	1.5
117.07012	1.4
118.04163	3.3
119.04946	8.0
119.08578	2.5
121.06496	3.2
121.10139	2.6
122.03632	1.1
123.04411	1.4
123.08068	1.6
123.11697	1.3
125.05988	1.0
125.09692	0.7
127.03958	0.6
129.07018	1.2
130.04117	1.2
131.04929	17.4
131.08540	1.3
132.05659	1.5
133.02843	3.2
133.06473	4.6
133.10083	1.4
134.03571	0.5
135.04382	0.8
135.08046	2.1
135.11673	1.8
137.05974	7.2
137.09604	1.2
137.13245	1.1
143.04848	0.7
143.08527	0.6
145.06483	2.0
145.10130	1.4
146.03638	1.1
147.04399	18.3
147.11665	1.1
148.05200	9.9
149.06004	3.0
149.13196	1.0
151.03949	1.5
151.07541	1.3
153.01865	0.9
153.05461	1.8
153.51166	0.6
159.04401	0.6
159.08047	1.3
159.11693	1.3
161.05992	4.6
161.09645	0.8
161.13196	0.6
163.03905	4.7
163.07544	20.6
165.05490	2.0
165.09137	1.0
167.07024	8.4
171.06544	0.7
173.05994	2.2
173.09639	0.7
175.07587	0.9
175.11177	0.9
176.04648	2.1
177.05466	6.0
179.07040	2.3
181.04953	12.3
181.06560	0.4
181.08534	0.7
185.13120	0.6
187.07556	1.3
189.05388	1.1
189.09116	0.9
191.07027	100.0
192.07465	2.4
193.08580	1.5
199.14774	0.7
200.49329	0.6
203.14261	0.8
205.08647	1.5
209.08081	8.2
217.08565	0.9
217.12109	0.6
218.12531	0.9
219.10098	0.7
221.08055	13.1
222.08498	0.7
225.07542	1.5
235.13240	1.4
236.13396	0.8
242.05644	0.5
249.11401	0.7
253.08597	0.7
253.14409	2.0
254.14717	1.4
255.23273	1.2
256.23523	1.0
271.06064	0.9
271.20639	0.8
287.05502	2.4
327.12128	0.9
359.14951	3.0
371.11163	0.9
381.31494	0.9
388.15121	0.7
389.15924	4.5
399.32516	1.6
417.33551	1.6
418.16245	6.6
419.16739	1.4
521.21265	0.8
539.22412	2.0
553.24054	7.4
583.27319	4.0
597.22162	2.7
615.23547	2.8
615.30505	2.3
634.27496	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
55.01867	9.9
55.05508	14.9
57.03436	12.9
57.07076	2.9
65.03938	5.3
67.05503	33.2
69.03444	3.7
69.07068	10.6
70.57059	2.1
70.69566	2.9
71.05009	3.5
71.65434	1.6
79.05492	34.8
81.03423	3.6
81.07053	37.3
83.04977	7.2
83.08630	9.8
84.67381	2.0
85.06545	9.8
86.70872	1.8
91.05479	30.4
93.07045	32.7
95.04967	31.9
95.08633	16.0
97.06508	5.0
97.10149	7.0
103.05486	2.5
105.04481	1.8
105.07027	34.0
107.04951	14.0
107.08601	21.4
109.06517	49.8
109.10147	6.9
111.04440	5.9
111.08140	3.4
112.04234	1.8
113.05995	9.2
113.09652	2.1
115.05424	3.6
117.07028	13.2
119.08570	28.4
121.06503	9.7
121.10135	18.5
123.04422	2.0
123.08086	14.2
123.11704	2.4
125.05965	3.3
125.09626	8.6
128.06252	2.3
129.07007	6.9
130.07802	2.2
131.08568	20.7
133.06480	5.2
133.10106	13.7
135.08047	41.0
135.11703	8.2
137.09637	4.0
141.07040	2.4
142.07770	3.4
143.08574	11.8
144.09341	3.6
145.06526	3.8
145.10117	21.9
147.08047	12.0
147.11665	6.4
149.09644	9.0
151.07533	3.9
153.09149	2.9
153.12752	2.7
155.08537	6.4
157.10129	13.3
159.08046	5.8
159.11694	10.2
161.09628	14.2
161.13255	2.5
163.11156	8.9
165.09113	6.2
167.08578	1.7
167.10667	4.4
169.10138	6.7
171.11716	6.2
173.09622	5.2
173.13263	6.8
175.11130	4.3
175.14714	1.9
177.09050	2.1
177.12729	3.2
179.08545	2.0
181.10094	4.4
181.12262	6.6
181.49501	1.9
183.11691	5.4
184.12410	2.0
185.09608	2.5
185.13345	5.0
187.14890	3.9
189.11241	5.9
189.12778	2.4
193.12213	2.8
195.11757	4.2
197.13275	4.3
198.97455	4.1
199.11255	2.9
199.14841	4.3
203.14337	2.5
207.13782	3.0
209.13333	3.1
211.14790	2.8
217.15918	8.5
221.13455	2.7
221.15404	7.1
223.15065	2.3
225.16199	2.6
233.15417	5.9
235.14844	2.5
237.16403	1.8
243.17450	2.3
253.15828	2.6
255.17424	5.3
261.18622	2.1
271.16815	5.0
273.18463	41.4
289.17999	19.7
291.19550	100.0
307.19339	2.2
530.25238	5.8
579.37421	2.9
597.38403	5.8
615.38965	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.9
56.96559	2.0
57.07050	2.0
67.05512	9.5
69.07057	3.3
70.06576	1.6
77.00911	7.7
79.05496	5.3
81.07053	12.7
82.33359	1.3
83.08594	1.5
88.07641	2.7
91.05485	4.2
91.57402	1.3
93.07030	7.5
95.01935	6.4
95.04984	2.6
95.08598	8.7
101.45895	1.3
105.07029	5.9
107.04963	1.3
107.08579	6.2
109.10170	3.3
111.11725	1.3
117.07022	1.9
119.01949	1.4
119.08565	5.3
121.10146	6.5
123.08064	1.7
131.01910	6.7
131.08582	3.5
133.10124	4.1
135.11705	1.8
143.08557	3.0
145.10152	2.8
147.07973	1.6
147.11630	2.5
149.02985	2.6
149.05994	3.8
149.09624	2.2
153.07581	1.5
157.10132	2.7
159.08026	1.4
159.11714	1.7
161.13327	1.7
161.53976	1.4
163.11168	2.2
167.10654	4.2
169.10095	1.6
171.11562	1.9
175.14810	1.9
177.16393	1.6
181.07126	1.4
181.12189	1.8
187.08218	3.4
191.07666	1.7
195.11813	1.3
201.09691	2.4
219.10692	3.0
221.15445	2.4
222.10878	1.6
223.61406	1.4
231.12305	2.3
233.15384	3.3
245.13881	2.8
245.17513	2.4
249.13335	3.2
257.26672	2.2
261.13254	2.0
263.14783	1.8
263.18677	2.7
267.14368	1.5
275.15054	1.7
289.20126	1.6
299.18552	8.8
301.20074	28.0
315.18060	1.7
317.19656	33.2
319.21185	100.0
320.21402	6.3
321.22726	7.8
335.20450	5.4
336.19330	3.9
337.22263	65.7
338.22501	2.7
339.23837	2.9
340.21155	6.0
342.22769	14.6
345.22824	1.8
349.39682	1.6
355.23196	2.7
357.22617	1.9
359.24442	1.8
360.23822	2.5
413.29166	2.4
458.39496	1.5
555.44312	1.4
579.42651	41.5
580.42572	4.6
597.43726	7.0
615.37415	22.9
616.37701	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	616.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01868	3.6
57.03437	1.5
61.02911	1.5
65.03932	2.9
67.05493	0.8
69.03432	3.8
69.69826	1.5
71.05002	1.0
71.21916	0.6
73.02921	1.3
75.04472	2.2
78.04699	3.2
79.05486	2.8
81.03431	1.2
81.07063	0.9
85.02910	13.8
87.04469	0.6
89.03902	0.8
89.06014	0.7
91.03973	0.9
91.05482	12.5
93.03405	9.1
93.07044	8.8
95.04968	5.8
97.02888	3.8
97.06518	1.8
99.04483	1.1
103.05466	7.9
105.04514	2.0
105.07034	7.3
106.04175	22.6
107.04938	2.1
109.02858	0.8
109.06532	0.9
110.75926	0.8
115.05450	1.2
115.11227	0.7
117.03400	1.3
118.04129	1.0
119.04944	1.1
121.06506	28.6
122.03654	0.8
123.04447	1.0
123.08086	0.7
124.05251	0.8
125.05989	7.4
127.03930	2.8
131.04924	2.3
131.05975	0.9
133.06483	6.9
134.03625	4.3
135.04427	0.7
135.08043	1.1
137.05997	5.7
138.06725	0.8
139.07545	1.6
143.06073	0.8
145.02885	1.4
145.04958	2.9
148.05199	2.0
149.05981	52.9
150.06447	0.6
151.03932	0.7
151.07521	1.7
153.05453	1.6
153.09106	8.3
155.12799	0.6
161.05989	9.5
163.03874	1.3
163.06274	0.7
163.07497	3.2
165.05481	1.2
165.08968	0.8
166.06226	1.5
167.07030	6.7
170.09598	0.6
177.05472	18.7
180.07779	0.7
181.05077	0.7
181.08601	24.8
187.31296	0.6
191.07042	4.8
193.08611	25.2
205.08577	1.4
207.06563	0.8
209.08092	100.0
210.08437	1.7
211.09543	0.9
227.09331	0.8
269.89484	0.7
315.33676	0.8
339.12421	0.7
345.81296	0.6
369.13223	1.8
371.13525	2.1
373.09933	0.7
383.00708	0.6
401.16135	1.0
403.17615	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01865	3.1
57.03424	0.9
61.02934	0.7
63.27888	0.5
65.03951	2.6
67.05506	0.6
69.03428	1.4
75.04480	3.9
77.03921	1.3
78.04707	2.8
79.05505	2.8
81.03410	0.6
85.02912	5.3
89.03900	1.1
89.06019	1.0
91.05482	12.7
91.06047	0.7
93.02864	0.9
93.03407	11.7
93.07047	6.0
95.04966	4.2
97.06516	2.4
103.05467	8.1
105.04514	1.6
105.06351	0.7
105.07030	10.4
106.04176	27.6
107.04996	2.7
109.06505	0.7
112.57553	0.6
115.05420	1.7
115.75259	0.5
117.03355	1.1
118.04149	1.3
119.04943	1.4
120.05746	0.7
121.06506	28.9
123.04452	1.0
123.08068	0.9
124.05180	0.9
125.05985	7.9
131.04945	4.2
131.05840	0.9
131.97467	0.5
133.02832	0.7
133.06499	10.6
134.03647	3.8
135.04424	1.1
135.08014	0.8
137.05960	3.9
137.09660	0.6
138.06735	1.0
139.07538	2.7
143.06075	1.1
145.02853	1.3
148.05196	2.8
149.05977	44.4
151.03870	0.8
151.07516	2.2
152.08249	0.5
153.05455	1.6
153.09105	12.0
161.05981	21.8
163.03925	1.8
163.07555	4.2
166.06303	1.0
167.07040	2.1
176.04732	0.5
177.05464	21.9
178.05818	0.8
181.08597	20.0
191.07027	21.0
192.07582	0.6
193.08601	23.4
195.06552	1.0
205.08669	0.9
209.08087	100.0
210.08411	2.0
252.49146	0.6
295.09723	1.3
312.09702	1.0
315.12198	0.8
326.11395	1.1
327.12247	2.2
336.62607	0.6
348.00290	0.5
369.13315	0.8
383.15085	1.2
387.14282	1.8
389.16052	0.8
401.15961	2.3
419.16931	1.7
454.20480	0.5
478.38159	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.0
56.05031	1.1
56.96575	4.3
57.03443	0.7
57.07076	0.5
58.06595	1.1
60.08163	7.6
67.05505	3.9
69.07093	0.5
69.59705	1.7
71.07382	5.1
71.69701	0.4
72.08147	1.0
79.05485	2.6
81.07059	3.4
83.04984	0.6
83.08633	0.5
86.09706	23.9
91.05470	1.9
92.43931	0.4
93.07059	2.4
95.04946	0.9
95.08603	2.9
97.96835	1.0
98.22749	0.8
102.92599	1.1
104.10743	100.0
105.07040	0.9
105.11076	1.1
107.08585	1.5
109.06536	0.5
109.10173	0.9
115.97894	0.7
118.92100	1.0
119.08550	1.1
121.10123	1.2
123.08066	0.8
125.00007	1.6
128.98608	1.0
131.08551	0.6
133.10147	0.8
136.93111	2.8
137.02777	0.6
145.10039	0.5
146.99617	0.7
154.94188	4.4
161.73282	0.4
162.94711	1.7
167.10693	0.7
168.11050	0.4
172.95235	5.1
176.99352	0.7
180.95731	6.7
181.58322	0.4
190.96252	1.8
193.04959	0.8
198.94963	0.8
198.96802	15.8
203.05275	0.5
210.96814	1.5
216.97835	9.8
221.15382	0.5
221.98335	1.5
228.97826	2.0
233.15291	0.5
236.98355	0.7
239.99481	0.8
240.09889	2.5
254.99411	1.8
258.04120	0.6
282.04193	1.1
283.01889	11.5
283.87811	0.5
300.05243	0.9
317.17871	27.1
335.18964	8.1
335.25488	2.7
358.20386	2.1
373.20313	0.9
395.16367	0.5
437.17410	2.1
441.17099	1.5
453.17139	2.7
471.18414	3.9
494.19559	0.6
497.19751	4.6
500.24478	10.3
504.71765	0.8
552.82935	0.5
556.27069	20.6
557.27393	0.7
616.28900	15.5
617.26752	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	616.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.5
53.03936	1.0
55.01871	5.0
55.05508	1.5
57.03440	1.0
58.08762	0.4
66.11098	0.5
67.05499	1.9
69.03424	3.2
69.07061	2.9
69.09699	2.9
71.04989	2.1
77.90800	0.5
79.05497	6.7
81.03419	7.1
81.07066	5.9
83.04974	1.0
85.02895	1.9
85.06530	1.5
89.03925	0.5
89.61787	0.5
90.04663	0.5
91.05485	4.2
93.07049	11.4
95.04980	3.5
95.08594	3.5
96.19560	0.5
97.02889	1.8
97.06522	2.8
99.04465	3.5
100.07330	0.6
103.05468	5.1
105.07033	52.0
106.07355	0.7
107.04957	1.4
107.08595	11.5
108.04477	2.1
109.02892	6.5
109.06537	2.6
111.08089	2.0
113.06017	1.4
115.05464	8.2
117.06995	0.7
118.04128	3.0
119.04911	0.9
119.08565	2.2
121.06507	4.1
121.10149	7.1
123.08062	1.9
125.05900	0.5
127.03914	4.2
127.07633	0.5
127.82292	0.5
130.07719	0.9
131.04944	1.7
131.08540	0.9
133.06494	46.1
135.04433	0.7
135.08076	1.8
135.11707	3.1
137.05974	0.9
137.09747	0.5
139.07430	0.5
143.04974	1.2
143.06049	5.6
145.06454	0.5
145.10115	6.4
147.11742	0.9
149.05989	1.9
149.09589	3.3
151.07541	2.1
161.05980	100.0
162.06339	1.5
163.03900	1.2
163.11182	14.9
167.07103	1.2
167.10681	4.6
169.08606	16.3
173.06102	0.6
173.09593	1.4
181.04974	0.6
181.12228	3.4
185.11723	0.8
191.07079	0.6
191.10674	7.9
193.08607	88.3
194.09021	1.0
209.11739	6.2
211.09619	2.3
227.12772	14.3
269.13635	0.5
287.05515	1.1
289.14185	0.7
291.95978	0.5
303.34650	0.5
317.13794	0.6
335.15002	0.8
352.94193	0.5
353.15915	8.7
371.17096	2.5
454.19724	0.6
616.27893	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.1
53.03956	2.3
55.01869	2.0
57.03421	0.9
57.07079	1.3
58.50040	0.9
65.85106	0.9
67.05502	3.2
69.03426	2.8
69.07060	4.9
69.09691	3.3
69.10110	3.1
71.01357	1.1
79.05492	10.8
81.03421	3.8
81.07059	100.0
85.02914	2.0
85.06551	2.4
91.05490	4.3
93.07036	6.2
93.48003	1.0
95.04993	3.6
95.08614	12.7
97.02907	3.9
99.04465	1.4
103.04035	0.9
103.05466	3.9
105.07019	4.9
107.04951	2.3
107.08581	1.1
109.02858	5.8
115.05458	2.1
117.07012	8.1
119.08623	1.5
121.02887	2.9
121.06516	9.8
121.10148	1.2
123.04398	1.5
127.03897	5.7
128.06262	1.1
128.27054	0.8
129.07002	3.3
131.04951	1.1
131.08640	1.1
135.08064	9.2
137.13263	19.2
138.13560	1.0
139.03934	2.6
139.56026	1.0
143.08569	1.1
145.06506	7.8
145.10155	1.8
149.02332	1.8
149.05959	6.7
155.08591	1.1
159.04436	4.8
159.08049	1.3
163.07565	4.0
165.05486	3.0
167.03397	1.2
167.06990	2.0
173.05959	8.9
175.07452	1.5
177.09151	1.4
181.08653	1.5
187.07538	2.0
191.07034	3.9
199.06081	1.1
201.05568	1.3
205.08549	5.0
219.06580	4.3
233.08145	2.8
237.07649	1.9
247.09833	1.3
251.09088	10.4
265.10760	1.2
269.10242	2.1
275.09155	1.2
293.10193	3.0
311.07657	1.2
311.11258	1.7
325.09274	1.6
325.12888	2.2
341.06400	1.0
343.13989	1.4
345.09744	3.9
359.11011	2.3
363.10803	4.3
377.12332	8.1
381.11838	1.5
395.13474	7.6
409.14996	1.8
413.14423	1.5
440.51526	1.0
484.74323	1.1
566.48700	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24162	4.7
55.05508	22.3
57.03421	9.0
59.13631	4.9
67.05493	20.8
69.07066	12.8
69.20615	32.5
69.81700	4.4
79.05488	19.5
81.03417	5.5
81.07034	24.1
83.04974	11.2
83.08614	24.5
91.05481	22.6
93.07043	21.0
95.04988	32.7
95.08608	15.6
97.06509	6.4
97.10201	7.9
105.07015	21.1
107.04959	20.5
107.08599	10.6
109.06535	12.2
109.10181	10.0
110.94682	5.0
111.04382	7.4
117.07014	7.7
119.08567	19.6
121.06507	6.3
121.10120	17.2
125.09629	8.7
129.07018	6.5
131.08556	9.4
133.10165	12.4
135.08046	7.6
135.11676	8.4
137.09586	5.7
145.10130	22.2
147.08015	8.3
147.11700	7.0
149.09616	12.5
155.08557	4.7
157.10072	6.3
159.11722	15.6
161.09689	5.4
163.11140	23.2
177.12732	6.9
178.22404	5.2
183.11708	5.9
187.11299	4.9
189.11182	7.9
197.13271	7.1
205.15897	6.9
223.13266	35.0
233.15375	14.3
257.19067	10.9
261.18500	8.1
271.17062	12.1
275.20090	93.5
289.17981	100.0
293.21085	88.8
307.18988	8.7
312.17157	4.9
346.79849	7.6
475.00345	5.4
535.74023	6.2
616.40649	8.8
616.52576	7.8
617.39868	7.4
632.79999	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	616.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09128	1.9
57.12533	1.7
79.05497	1.6
81.07076	2.1
97.49271	1.7
107.08547	2.8
119.08617	2.3
122.03596	3.6
132.76285	1.8
137.05981	100.0
144.74850	1.8
147.87697	2.0
150.98813	2.0
256.47247	2.1
279.03232	1.8
306.20627	6.7
311.21378	7.5
312.21500	8.5
542.58472	2.1
616.44354	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	617.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93705	0.3
53.03920	0.6
55.05515	4.9
57.03437	4.1
57.07061	0.8
65.03902	1.2
66.78992	0.3
67.05508	19.0
69.03444	0.4
69.07069	4.6
69.64249	0.3
69.80775	0.9
71.07310	0.3
79.05497	10.5
81.07059	16.1
82.07359	0.4
83.04958	0.7
83.08601	1.9
84.56413	0.3
85.06527	0.5
86.09679	1.3
91.04957	0.3
91.05479	6.6
93.07049	11.3
95.04939	1.4
95.08610	13.0
97.06493	0.8
97.10161	0.6
98.97598	0.4
104.10752	2.3
105.04466	0.6
105.06441	0.4
105.07038	3.8
105.11051	0.5
107.08597	4.5
108.08873	0.4
109.06460	1.0
109.10146	4.2
117.06974	1.3
119.08586	2.5
120.96616	1.6
121.10136	3.9
123.11691	1.0
125.06033	0.3
131.08571	1.7
133.06398	0.3
133.10109	1.5
135.08054	0.7
135.11664	1.5
135.51152	0.4
137.09573	0.6
143.08481	0.5
145.10089	1.7
147.11720	0.5
149.13199	0.5
156.97450	1.3
157.10127	0.5
159.11717	0.7
161.13229	0.6
164.74536	0.3
165.09109	0.5
167.10666	0.7
171.11537	0.4
174.98611	0.8
176.99252	0.9
184.07295	1.5
185.04228	1.0
198.98557	0.6
203.05255	5.0
213.00075	2.0
213.07600	0.3
216.99644	0.4
221.15282	0.6
233.15245	0.4
240.99660	0.5
265.00888	3.1
283.01895	100.0
284.02252	0.9
301.01691	1.0
301.19827	0.4
318.18442	0.5
324.04520	3.0
335.25818	20.6
336.26321	0.9
357.05093	1.2
357.24042	0.7
375.25055	0.5
410.90396	0.4
437.20502	1.5
449.70471	0.3
455.20969	0.6
473.21585	0.5
557.27814	0.5
599.25842	0.5
616.41351	0.7
617.26862	27.2
617.42725	0.8
618.26831	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79265	0.7
53.03939	2.5
53.74769	0.8
55.01263	0.7
55.01879	6.6
55.05508	12.3
57.03436	8.8
65.03934	2.8
65.56276	0.8
67.05504	29.2
69.03421	3.2
69.07071	5.2
71.04988	2.0
79.05489	22.0
81.03402	2.5
81.07056	30.1
83.04987	4.2
83.08612	7.9
85.02911	1.0
85.06532	5.1
86.09705	0.8
91.05479	21.3
93.07035	17.7
95.04967	32.5
95.08616	9.2
97.06518	3.0
97.10167	5.8
98.22672	3.1
99.04466	1.1
105.04514	1.3
105.07029	15.8
107.04959	9.2
107.08602	12.1
109.06517	37.8
109.10153	4.8
111.04436	3.1
111.08084	2.8
113.06005	9.8
115.05467	1.2
117.07011	9.4
119.04962	1.9
119.08578	13.6
121.06502	5.9
121.10125	6.1
123.08051	4.0
125.09637	5.3
128.06204	1.9
129.06981	6.0
130.07761	1.3
131.08566	12.0
133.06461	2.0
133.10133	6.1
135.08051	27.6
135.11655	5.2
137.05960	1.1
137.09615	1.7
139.11217	0.9
142.07776	1.5
143.08571	7.4
145.06441	1.2
145.10110	11.8
147.08052	9.5
147.11717	2.8
149.09589	5.2
149.13268	1.7
153.09113	2.5
153.12729	1.2
155.08574	1.0
157.10155	5.9
159.08052	2.3
159.11687	4.5
160.11195	4.2
161.09616	8.1
161.11536	1.9
163.11205	4.7
165.09081	2.8
169.10141	1.2
171.11697	3.1
173.09642	2.2
173.13272	1.7
175.11208	2.7
177.12758	2.1
181.12236	1.7
183.11655	1.8
184.07370	2.0
185.13254	2.4
187.11188	2.2
189.11229	5.8
191.10757	2.1
193.08458	0.9
193.58347	0.9
195.11772	0.9
195.13910	1.0
199.14890	1.9
201.12801	1.3
209.13353	0.9
213.12718	0.9
217.15933	6.0
221.15298	2.1
223.13272	2.6
227.12802	1.5
227.18007	1.5
233.15077	1.0
237.16348	1.8
245.18958	2.2
249.14833	2.4
255.17329	4.0
273.18488	42.0
274.18756	1.1
275.20102	1.0
291.19531	100.0
292.19897	2.9
303.18924	0.9
309.20404	1.0
325.84351	0.8
563.36694	1.1
617.24603	2.0
617.36176	4.4
638.09875	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	1.3
56.96569	4.4
58.06591	0.8
60.08165	6.9
62.19284	0.3
63.20771	0.3
67.05495	1.3
69.07066	0.7
71.07375	6.0
72.07762	0.3
72.08142	0.8
79.05471	0.4
81.07038	1.2
84.96059	0.4
86.09704	21.2
93.07067	0.4
95.08597	0.9
97.18642	0.4
98.97561	0.4
102.92623	1.3
104.10743	100.0
105.11092	0.8
110.97612	0.4
115.13845	0.3
116.98538	0.5
118.92111	1.0
124.99966	1.8
128.98660	0.4
136.93140	3.6
154.94182	5.3
156.77719	0.4
162.94626	2.1
172.95227	4.6
180.95720	8.8
181.02672	0.5
190.96356	1.1
195.96909	0.5
198.96791	20.3
203.97331	0.7
210.96823	2.0
216.97850	9.5
216.99860	0.6
221.98466	1.2
228.97922	2.4
233.98485	0.5
236.98335	0.9
239.99425	0.8
240.09958	1.7
240.97943	0.4
254.99400	1.8
258.04187	0.5
282.03995	0.8
283.01996	0.6
296.05670	0.6
300.05334	1.0
314.06799	0.6
319.19424	12.8
337.20490	17.8
337.26953	0.7
338.20966	0.4
355.21387	0.6
360.21979	2.4
439.19373	1.4
443.18777	1.2
455.18610	1.3
473.19720	4.4
499.21405	4.6
502.26105	8.2
506.74063	0.6
507.22913	0.4
537.61926	0.4
558.28662	16.4
560.64282	0.4
618.23517	0.9
618.30884	17.0
619.30243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31217	0.8
55.05511	14.0
56.05021	1.1
56.96569	3.1
57.03432	3.4
57.07073	1.1
58.06599	1.5
60.08161	5.9
64.67759	0.8
65.03940	1.1
67.05505	16.5
69.03441	1.5
69.07062	10.5
69.68660	3.0
71.04993	1.5
71.07374	3.8
75.12903	0.8
79.05504	8.8
81.07058	19.8
83.04971	2.5
83.08612	11.4
85.06547	1.6
86.09200	1.3
86.09709	14.5
91.05482	10.6
93.07043	12.0
95.04961	5.4
95.08601	13.9
97.06533	2.7
97.10175	2.8
99.04446	0.8
101.41183	0.9
104.10741	100.0
105.07023	15.9
105.11083	2.3
107.08598	11.0
109.06521	2.0
109.10146	6.1
111.08092	1.6
113.09694	1.3
115.05486	1.3
117.07031	2.2
119.08575	11.9
119.10786	0.9
120.96623	2.0
121.06522	2.5
121.10129	7.7
123.08051	2.6
123.11696	1.9
125.09634	3.0
128.06216	1.8
129.06998	2.7
129.07953	0.9
130.07750	1.1
131.08571	6.4
133.10141	7.3
135.08032	1.5
135.11685	2.3
135.88358	0.7
136.93042	1.6
139.11165	2.0
141.06955	1.6
142.07780	3.6
143.08606	5.2
144.09315	2.0
145.06474	0.9
145.10117	11.2
147.08078	1.6
147.11674	3.2
149.09663	1.1
149.13315	0.9
154.94171	3.0
155.08582	2.9
155.10640	1.4
156.09323	2.3
157.10127	9.8
159.08044	2.0
159.11714	3.7
160.08858	2.0
161.09639	2.0
163.11143	1.6
167.08542	1.6
169.10130	3.9
171.11702	3.5
172.95258	3.3
173.09616	1.3
173.13254	1.8
175.11171	1.1
175.14842	1.2
176.99133	1.1
179.08575	1.4
180.09392	1.0
180.95740	5.3
181.10138	1.9
181.12187	4.1
182.11101	1.1
183.11710	3.6
185.13297	2.5
187.11235	1.0
189.12726	1.1
191.08545	0.9
191.14207	1.0
193.10207	2.1
194.10988	1.1
195.11708	3.2
197.13260	4.4
198.96793	13.4
199.14905	1.2
203.05251	4.7
207.11829	1.6
208.12469	1.0
209.13177	4.5
210.96892	1.1
211.14848	2.4
213.00043	1.2
213.12727	1.4
215.14322	2.3
216.97899	7.7
221.13367	1.4
221.15401	3.2
221.98398	1.2
223.14790	1.6
225.14822	1.9
228.97899	1.3
233.15372	4.7
235.14885	1.2
237.16498	1.0
241.15808	1.2
249.16513	1.0
255.17398	3.5
265.00897	2.0
270.19684	1.1
273.18689	1.2
283.01892	75.2
319.19427	8.7
324.04227	1.4
337.20651	12.9
337.27362	16.9
355.21375	1.2
359.25537	1.1
360.21777	1.7
383.25784	1.1
409.59537	0.9
473.19788	3.3
499.21164	2.6
502.26318	5.7
521.56482	1.1
558.28510	14.7
559.28638	1.5
618.22192	1.4
618.30548	10.5
618.42236	3.2
619.28235	23.9
619.38000	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	618.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	56.3
57.07074	14.4
67.05509	54.9
69.03429	12.3
69.07074	24.9
70.04641	18.4
70.04993	22.0
79.05488	46.0
81.07065	79.2
83.04993	27.4
83.08635	74.5
83.35015	8.4
87.04483	9.6
91.05485	65.2
93.07052	61.6
95.04975	51.8
95.08610	49.9
97.06525	23.1
97.10169	13.3
98.22729	10.6
105.04483	9.1
105.07025	100.0
107.08587	59.8
109.06527	15.8
109.10167	26.2
111.08070	10.6
112.32103	8.5
117.07020	20.1
119.08597	91.5
121.06518	16.6
121.10142	66.2
123.08083	28.7
125.09618	18.4
128.06255	18.9
129.06995	17.1
130.07799	10.1
131.08559	42.2
132.09341	11.1
133.10120	49.1
135.08038	24.7
135.11687	19.7
139.11198	17.2
141.07005	9.5
142.07758	28.4
143.08559	34.9
144.09361	9.9
145.10110	85.7
147.08006	15.1
147.11684	29.0
149.09677	17.9
151.11142	11.4
155.08566	25.3
155.10657	20.3
156.09354	20.5
157.10132	65.6
159.08073	18.8
159.11681	25.1
160.08846	11.6
161.09651	18.0
167.08606	13.0
167.10628	16.0
168.09398	10.6
169.10118	33.0
171.11713	34.3
173.09616	9.2
173.13254	24.4
175.11166	12.9
179.08704	12.7
181.10121	20.3
181.12257	25.9
182.10945	11.2
183.11703	24.8
185.13281	21.4
187.11197	10.9
187.14795	13.6
193.10091	12.4
194.10835	11.8
195.11758	23.1
197.13280	46.8
199.14824	22.9
207.11665	10.3
209.13272	24.4
209.15291	9.0
210.13875	10.7
211.14830	28.1
213.16412	11.6
215.14297	23.5
221.13358	17.2
221.15387	36.4
223.14847	15.4
225.14766	19.2
229.66846	8.6
233.15378	46.2
235.14948	12.5
235.67484	10.8
237.16385	13.5
245.15643	9.1
249.16422	12.1
255.17371	35.0
258.14258	9.6
265.19553	10.5
270.19818	12.9
283.01859	14.5
299.20166	12.0
311.25958	12.6
367.26465	8.7
383.25696	15.1
439.21622	12.0
573.57813	9.5
577.32916	14.5
618.42023	34.2
619.28369	21.1
619.37946	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.3
55.01861	10.9
55.05512	38.7
57.07060	2.9
61.37590	2.6
66.98177	2.7
67.05505	47.7
69.03407	3.5
69.07073	21.4
69.46889	12.0
71.04993	4.7
71.13734	2.6
76.98888	2.4
79.05490	34.6
81.03412	11.2
81.07052	40.2
83.04958	9.6
83.08615	36.4
85.06525	5.9
87.04454	7.9
91.05478	46.1
93.07036	36.9
94.67303	2.5
95.04957	38.2
95.08607	25.1
97.06526	8.2
97.10143	6.0
98.22732	3.2
99.71870	2.7
105.07034	50.3
107.04962	13.1
107.08598	29.1
109.06500	12.1
109.10149	24.6
111.08040	7.0
117.06988	13.7
119.08572	29.0
121.06533	7.7
121.10161	18.5
123.08040	10.0
125.09588	5.4
128.06255	2.8
129.06987	7.3
131.08575	18.4
133.06505	3.5
133.10124	46.3
135.08029	8.2
135.11661	12.3
139.11172	3.0
143.08559	5.8
145.06458	3.4
145.10121	20.7
147.07922	3.6
147.11700	15.8
149.09608	30.0
149.13280	4.0
151.11150	17.9
155.08612	3.9
157.10109	5.4
159.11671	11.6
161.09592	3.8
161.13269	5.4
163.11177	32.1
165.12791	7.9
169.10022	3.9
171.11642	4.4
173.09673	4.4
173.13252	4.8
175.11160	6.2
177.12737	3.7
183.11708	5.4
223.13309	21.3
229.19421	3.5
239.17953	9.1
247.20366	4.6
257.19009	10.6
273.18552	4.3
275.17041	6.6
275.20044	100.0
276.20578	4.4
291.19559	12.4
293.21115	56.7
569.42175	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	618.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.7
53.69801	1.6
55.01867	7.1
55.05510	40.2
57.07074	2.5
64.15263	1.7
65.03928	3.3
67.05507	37.8
69.03427	4.2
69.07069	19.6
69.49400	7.5
71.04993	3.2
79.05502	35.0
81.03423	12.9
81.07056	39.9
83.04956	8.7
83.08619	36.4
85.06536	2.0
87.04462	7.9
87.88326	1.7
91.05478	37.6
93.07043	34.7
95.01318	3.5
95.04968	43.1
95.08609	21.4
97.02869	2.2
97.06527	7.8
97.10164	11.2
99.93329	1.9
103.05497	2.0
105.07031	32.2
107.04945	19.7
107.08592	26.5
109.06519	7.3
109.10159	11.0
111.04454	2.0
111.08092	6.2
115.05496	1.9
117.07005	18.2
119.04940	2.0
119.08578	31.4
121.06525	4.4
121.10124	16.0
123.08068	7.3
123.11707	3.0
125.06061	2.0
125.09635	8.9
129.07010	4.1
131.08563	20.4
133.06496	2.7
133.10124	20.8
135.08076	5.0
135.11703	8.8
137.09627	4.6
139.11221	2.3
141.06972	1.7
142.07843	3.0
143.08604	3.4
145.06503	2.4
145.10126	28.1
147.08041	7.7
147.11726	12.6
147.12677	2.2
149.09604	25.0
151.11119	3.8
155.08565	2.8
157.10141	4.1
159.08006	2.3
159.11671	10.7
161.09541	4.0
161.13271	3.3
162.10461	2.0
163.11180	30.7
165.12787	3.0
169.10167	4.1
170.00081	1.8
171.11720	4.2
173.09601	7.0
173.13271	4.8
175.11253	3.9
177.12691	3.0
181.12213	1.8
183.11656	3.1
185.13379	2.3
189.11157	5.7
189.12743	3.5
205.12268	2.2
206.07175	1.8
223.13269	27.0
229.19484	3.3
233.15601	2.0
239.17940	7.2
249.15073	2.5
257.19061	12.8
273.18542	7.0
275.20062	81.7
276.20462	4.7
291.19547	100.0
292.19781	4.2
293.21091	66.4
428.83603	1.9
583.40320	2.7
618.40485	12.9
621.68372	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	618.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.2
55.01871	9.2
55.05509	23.0
57.03435	2.9
62.29979	2.3
67.05505	24.2
69.03442	3.6
69.07066	13.5
69.63952	10.7
71.04997	2.7
74.19301	2.4
79.05487	33.0
79.57672	2.5
81.03392	4.2
81.07055	54.7
83.04987	7.1
83.08620	9.7
85.06538	2.7
87.04467	21.3
91.05477	38.0
93.07045	27.6
94.69457	2.6
95.04964	16.8
95.08614	20.5
97.06544	14.2
97.10172	9.4
105.07026	47.6
105.58578	2.6
107.04949	11.0
107.08591	19.1
109.06525	5.2
109.10159	7.5
111.04454	3.3
111.08119	2.9
111.29548	2.7
117.06962	11.7
119.08577	32.5
121.06508	6.2
121.10127	11.5
123.08095	4.6
125.09614	7.0
129.07040	4.6
131.08580	17.2
133.06480	4.1
133.10117	21.8
135.08084	6.3
135.11696	6.3
143.08566	5.4
145.10120	18.7
147.08041	5.0
147.11679	11.3
149.09634	10.3
149.13121	2.6
151.11264	3.0
153.09039	2.5
155.08517	2.8
157.10159	4.6
159.11722	9.7
161.09576	3.8
163.11115	5.4
165.09079	4.5
169.10027	3.0
171.11650	4.1
173.13237	3.4
175.11180	2.5
177.12650	2.4
181.12276	2.5
189.11203	8.3
191.10641	3.7
219.17403	19.5
223.13268	4.2
239.17868	2.6
245.61951	2.3
255.17493	2.9
257.19003	7.2
273.18524	31.5
275.20059	82.3
276.20486	5.1
291.19559	100.0
292.20172	3.9
293.21149	7.6
309.20605	5.1
348.40057	2.6
595.32404	5.4
618.41425	10.8
619.42499	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	618.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.01866	5.9
55.05507	23.3
57.07067	7.6
59.04983	1.8
63.47524	2.4
67.05502	24.5
69.03420	5.2
69.07064	13.5
71.05000	3.4
71.25555	2.0
79.05495	28.7
81.03397	2.7
81.07056	48.1
83.04980	8.1
83.08624	17.7
85.06549	3.3
87.04463	26.2
88.00830	2.2
91.05482	20.9
93.07044	29.6
95.04956	16.7
95.08600	16.4
97.06525	7.0
97.10163	14.6
105.07021	21.5
107.04970	9.1
107.08573	18.5
109.06510	12.5
109.10133	12.5
111.04419	5.2
111.08073	5.9
116.78899	2.1
117.07003	8.5
119.08569	29.5
119.65903	2.1
121.06501	9.3
121.10129	13.9
123.08048	10.5
123.11724	3.0
125.09623	12.9
129.07011	9.4
131.08582	18.5
133.06523	2.7
133.10120	15.6
135.08029	10.1
135.11699	7.0
137.09583	3.3
139.11147	4.3
143.08559	9.7
145.06493	2.7
145.10103	22.0
147.08081	15.1
147.11688	7.6
149.09619	8.9
151.07559	3.8
151.11235	2.8
153.09129	3.9
155.08586	3.7
157.10118	12.3
159.08060	3.3
159.11717	12.6
160.08766	2.6
161.09650	7.8
161.13248	3.1
163.11165	12.7
165.09142	8.5
167.10693	3.1
169.10071	7.0
171.11684	8.8
173.09633	2.7
173.13300	4.9
175.11145	7.2
181.12279	5.5
183.11699	4.3
184.68260	2.1
185.13297	4.8
187.11279	2.6
189.11232	7.7
191.10750	2.7
195.11693	3.7
200.98700	2.1
201.12659	3.2
203.14360	2.5
205.61583	2.2
208.14581	2.8
221.15280	10.7
223.13161	2.7
225.14781	2.6
227.17885	2.9
233.15302	2.3
234.16125	4.0
255.17493	5.6
257.18979	4.9
273.18521	34.3
274.18851	2.3
275.20081	28.3
276.20416	2.6
287.20056	7.6
291.19537	100.0
292.19846	3.3
293.21191	18.4
299.19894	3.1
309.20432	6.7
325.21463	2.7
352.23956	13.4
538.36401	17.2
549.34338	2.8
565.38934	2.8
572.36090	3.1
579.84235	2.4
583.39838	8.0
601.40613	3.9
618.42249	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	619.2361
Annotation	5,5'-biporphyrin
Peak:m/z	Relative Intensity
53.69226	0.8
55.05529	1.3
56.91840	0.7
67.05514	2.0
69.03439	1.8
69.07068	1.8
79.05498	1.5
81.03436	1.9
81.07074	4.1
83.04997	1.2
85.02947	2.3
85.06561	1.4
86.00910	0.9
91.05482	1.6
93.07053	2.5
95.04974	2.1
95.08638	3.0
96.61773	0.7
97.02895	1.1
97.06557	3.0
97.10194	0.8
99.52203	0.8
105.07073	2.6
107.04964	1.6
107.08616	3.1
109.02882	1.4
109.06551	1.4
109.10175	1.6
119.04900	0.9
119.08595	1.7
120.08139	1.1
121.06526	1.2
121.10149	1.9
123.11707	1.4
131.08638	0.9
135.04451	0.9
137.06041	1.7
137.09639	0.8
145.10153	1.2
147.04442	1.5
147.08163	0.9
151.03970	1.7
161.06017	1.6
163.04002	3.2
165.05540	1.3
165.09180	2.5
167.07130	1.1
177.05476	1.5
249.14632	2.3
259.09756	2.2
260.10150	1.6
287.05646	2.8
289.06848	1.2
293.13721	2.5
311.14624	8.9
311.60797	0.8
349.08960	8.1
355.07922	2.1
378.13947	0.9
385.27585	1.2
387.10477	4.3
421.89282	1.0
457.15204	1.1
496.53250	0.9
587.17487	1.6
619.23615	100.0
619.32257	4.1
620.24048	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	619.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01874	1.0
55.05503	2.1
55.08120	0.3
55.71931	0.2
57.03440	0.3
57.07070	0.4
65.03947	0.3
67.05507	3.9
69.03429	1.8
69.07063	0.7
71.04994	4.0
71.08586	0.3
71.39067	0.3
77.03928	0.5
79.05499	5.1
81.03416	2.6
81.07056	6.2
83.01344	0.3
83.04992	1.7
83.08612	1.1
85.02909	3.0
87.04475	1.1
91.05478	3.3
93.07057	3.4
95.04974	8.9
95.08607	6.2
97.02893	7.4
97.06518	0.3
99.04462	4.0
103.05439	0.4
105.04501	0.5
105.07030	4.7
107.04943	1.7
107.08603	2.2
108.05762	0.3
109.02892	2.6
109.06520	4.2
109.10187	0.5
111.04453	1.0
111.08088	15.4
112.08356	0.3
115.05412	0.4
117.07056	0.8
119.08582	1.2
121.06498	1.4
121.10169	1.0
123.04414	2.0
123.08069	3.6
123.11718	0.5
125.05996	0.9
125.09636	0.4
125.45631	0.3
127.03918	100.0
128.04268	1.0
129.06967	0.4
131.08548	0.8
133.06482	3.3
133.10158	0.7
135.08032	0.6
135.11697	0.5
137.05940	0.3
143.08537	0.3
145.10133	0.8
147.08040	0.5
147.11665	0.6
149.09549	0.4
149.13278	0.3
151.03894	3.6
151.07556	4.8
153.05510	1.4
159.11717	0.7
161.06012	1.7
163.14830	0.4
165.09164	0.3
169.05002	0.9
169.08618	1.4
171.11655	0.4
173.13365	0.4
179.07033	15.4
180.07370	0.5
187.14885	0.3
192.18877	0.4
195.65335	0.3
197.08095	87.7
198.08464	1.9
213.16574	0.3
221.15344	0.4
225.36890	0.3
243.21144	0.4
261.22162	0.7
273.18646	0.5
275.19843	0.3
277.21643	0.3
291.19495	0.5
298.33347	0.3
303.23184	0.3
351.22699	0.4
369.24292	0.8
387.25235	1.6
391.46350	0.3
405.26431	0.7
423.27820	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91618	1.2
53.03937	1.7
55.01863	2.8
58.28086	1.3
61.02924	6.2
67.05500	3.4
69.03419	5.3
79.05492	3.2
82.54668	1.3
85.02909	6.4
91.05471	5.0
95.04966	58.6
95.16348	1.4
97.02901	2.2
103.05460	19.4
105.04506	5.5
107.04966	3.4
119.04912	6.3
121.06509	3.5
123.04426	75.6
123.08002	2.1
125.06023	1.9
127.03905	2.0
131.04929	40.6
133.02838	2.4
135.04472	1.5
137.05977	41.6
139.07542	2.6
140.04652	17.4
140.07022	1.6
140.27534	1.3
145.04939	2.6
147.04410	9.9
149.05943	5.0
151.03880	2.2
151.07535	5.6
155.07021	38.8
161.05995	2.9
163.03909	2.2
163.07544	69.5
165.05484	4.1
167.07024	31.2
169.04971	2.1
177.05396	9.1
179.07030	24.2
181.08597	1.9
183.06522	100.0
191.07010	3.0
193.08617	2.3
195.06509	10.9
198.65698	1.3
207.06465	3.7
209.08029	7.2
221.08133	3.3
225.07578	17.7
227.09122	10.9
233.08212	1.9
239.09084	2.5
241.10744	1.6
243.08655	8.9
246.96445	2.1
287.76764	1.6
311.62762	1.4
315.12488	1.9
341.12323	3.5
357.13443	2.6
359.14838	6.3
373.12692	8.9
375.46078	1.4
405.15332	5.0
510.53467	1.5
564.61462	1.7
620.22064	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	620.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01867	3.0
55.05502	1.2
57.03422	0.7
64.06614	0.6
65.03947	1.2
67.05480	2.3
69.03419	2.8
69.07069	4.0
69.13418	1.5
69.13832	3.0
70.06582	0.8
71.04991	1.9
79.05491	3.6
81.03409	8.1
81.07055	5.1
83.04988	1.6
85.02919	1.7
85.06527	2.1
91.05474	14.0
93.07037	8.8
94.00712	0.6
94.04166	1.2
95.04969	2.9
95.08607	3.4
97.02891	1.2
97.06534	3.5
99.04438	4.1
103.05460	1.1
103.69733	0.7
105.07029	8.1
107.04926	1.4
107.08595	12.6
109.02888	9.8
109.06517	3.5
111.04453	0.8
111.08061	1.9
113.06083	0.8
117.06957	1.4
119.04938	28.8
119.08575	2.3
121.06513	4.2
121.10132	8.5
122.03648	3.3
123.08067	2.6
125.05936	0.7
127.03918	5.7
127.07564	0.9
127.76596	0.8
131.04900	1.7
135.04395	0.9
135.08046	1.4
135.11710	3.4
137.05974	100.0
138.06314	1.6
139.11217	0.7
145.10110	7.0
147.04401	58.5
147.11732	1.6
148.04767	1.4
149.05966	1.5
149.09621	2.3
151.07565	4.0
161.05940	1.0
163.03891	5.8
163.07507	1.2
163.11182	20.5
164.04285	1.2
164.11623	1.2
167.07008	0.8
167.10698	6.0
169.08600	22.2
173.09592	1.5
177.05522	0.9
179.07025	49.2
180.07329	0.8
181.12245	4.7
185.11761	2.2
191.10666	9.0
197.08093	9.8
209.11708	16.3
211.54216	0.6
227.12776	39.9
228.13127	1.2
245.13795	1.3
253.12199	0.8
255.12372	1.1
269.13815	1.5
271.13358	1.2
289.14386	3.5
317.13849	1.6
327.12061	1.3
335.14868	2.6
353.15927	27.8
354.16327	1.0
371.17062	7.2
389.17795	1.4
415.16086	0.6
620.29535	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	620.364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.2
53.03942	8.0
55.01869	18.0
55.05505	10.1
57.03439	7.4
61.02910	1.6
65.03938	1.6
67.01862	1.5
67.05502	45.1
68.49472	1.1
69.03062	2.2
69.03428	41.6
69.07076	9.0
69.07426	1.6
69.20586	1.2
70.79768	2.0
71.01327	1.1
71.04990	12.2
73.02919	8.8
78.66580	1.2
79.05489	27.6
81.03416	41.7
81.07054	49.9
83.04964	2.4
83.08605	7.0
85.02899	17.5
85.06514	1.4
91.05478	17.5
93.07043	37.0
95.04968	4.4
95.08018	2.4
95.08601	40.0
97.02889	41.7
97.06509	2.3
97.10177	3.0
99.04456	60.1
100.04788	1.8
101.02370	3.6
105.04508	1.5
105.07040	11.6
107.04960	1.5
107.08594	20.1
109.02882	38.6
109.06514	1.8
109.10162	23.0
111.04443	11.0
115.03940	1.7
117.06989	6.6
119.08584	10.8
121.10139	19.0
123.11707	11.4
127.03912	100.0
128.04265	1.5
129.05463	1.9
131.08577	10.0
133.06516	1.2
133.10130	10.6
135.08090	1.4
135.11691	13.6
137.09666	1.4
137.13237	3.7
143.08551	1.8
145.04947	17.5
145.10101	7.9
147.11679	9.3
149.13243	8.0
151.11130	1.8
151.14857	1.6
154.30440	1.0
154.33902	0.9
157.10143	1.2
159.11708	6.0
161.09676	1.8
161.13295	5.8
163.14799	4.1
171.11627	1.5
173.13220	7.1
173.91730	1.1
175.14835	1.8
180.08690	1.2
187.14830	3.0
201.16394	1.4
215.14211	1.3
221.15211	1.2
241.19568	2.9
243.21143	6.1
243.23204	1.1
259.20636	9.5
261.22150	21.3
277.21625	9.6
279.23239	6.0
281.89923	1.2
283.01953	5.7
284.02222	1.8
288.61987	1.2
303.23209	2.0
341.24466	2.3
351.23148	2.1
357.24188	3.2
369.24197	8.2
387.25320	6.0
405.26331	9.8
423.27426	51.3
423.33148	2.6
424.27609	2.2
620.29144	2.1
620.38257	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	620.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.6
55.01870	17.3
55.05511	13.9
57.03435	18.2
61.04989	3.8
67.05505	52.4
69.03427	84.0
69.07066	17.8
70.70208	5.7
71.05002	8.1
73.02922	9.3
73.73284	3.5
79.05486	41.7
81.03414	32.5
81.07059	62.3
83.04974	10.5
83.08630	7.8
85.02901	100.0
87.04495	3.7
91.05481	35.4
93.07040	54.0
95.04979	12.3
95.08610	39.7
97.02889	39.9
97.06499	4.9
99.04456	13.1
101.02390	6.5
105.07008	37.2
107.04974	7.1
107.08593	31.9
109.02889	8.1
109.06534	6.5
109.10151	26.7
111.04451	11.1
115.03940	6.1
117.07007	21.4
119.08579	30.8
121.06511	5.5
121.10146	17.7
123.04440	4.3
123.11713	5.8
127.03912	69.0
128.06232	5.1
129.06999	12.0
131.08539	23.9
133.06384	4.0
133.10118	27.8
135.11722	14.1
139.68407	4.5
143.08551	11.2
145.04965	36.7
145.10114	19.6
147.08031	4.9
147.11708	16.0
149.02367	10.8
149.13232	8.7
155.08618	8.0
157.10091	10.2
159.11693	20.2
161.13252	8.9
163.06113	6.7
163.14845	4.9
169.10202	8.5
171.08211	5.0
171.11652	6.9
173.13312	13.5
175.11108	6.0
180.08662	11.7
181.10100	5.9
183.10211	4.8
183.11717	9.1
185.13306	9.4
187.14842	9.2
193.05058	4.8
197.13293	5.0
199.14806	5.0
229.16104	3.7
259.20523	7.4
261.22153	8.5
277.21680	9.5
279.23248	4.7
285.22067	6.5
289.21555	7.0
291.23239	6.1
301.21909	5.8
303.23190	13.8
314.03101	4.3
327.23227	5.3
341.24768	7.6
345.24347	5.4
351.23044	12.2
369.24173	41.4
387.25293	52.3
388.89008	4.4
402.61749	3.7
405.26428	49.2
413.07574	3.8
423.27283	14.1
496.38321	4.1
620.37671	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.6
55.01876	5.4
55.05514	28.7
57.03437	1.7
64.20435	1.2
65.03954	2.7
67.05505	31.4
69.03438	1.9
69.07068	12.5
69.94231	3.3
70.24273	1.4
70.99854	1.2
71.05008	4.2
79.05493	27.6
81.03407	6.8
81.07057	30.1
81.95588	1.3
83.04988	5.4
83.08615	19.3
91.05479	30.9
93.07040	27.6
95.04966	27.1
95.08610	20.6
97.06535	6.7
97.10185	5.0
103.41618	1.4
105.07033	31.8
107.04945	11.2
107.08598	17.7
109.06522	4.8
109.10155	11.5
110.48043	1.5
111.08083	4.6
115.05431	1.5
115.76813	1.2
117.07024	12.6
119.08566	25.9
121.06511	5.0
121.10138	15.7
123.08088	2.9
123.11703	2.0
125.09623	6.6
129.07010	3.6
130.07788	1.6
130.80768	1.5
131.08562	15.0
133.10127	18.8
135.08061	6.0
135.11703	8.1
137.09633	4.2
143.08565	3.3
145.06516	1.7
145.10121	19.2
147.08034	2.9
147.11690	14.3
149.09619	22.2
149.13251	3.1
151.11205	4.0
155.08560	4.2
157.10143	3.4
159.11700	10.6
161.09576	2.9
161.13268	4.2
163.11179	24.1
163.12454	2.1
165.12756	4.4
169.10149	3.2
171.10300	1.4
171.11729	5.0
173.09673	3.8
173.13297	4.7
175.11177	2.2
177.12767	3.7
178.23508	1.3
179.14374	3.5
181.12299	1.5
182.59175	1.2
183.11691	4.7
185.13255	2.0
187.11281	2.5
189.11205	5.2
192.93719	1.4
193.12334	1.6
197.08109	1.7
197.13280	3.7
211.14777	1.7
215.18044	1.5
223.13293	15.4
229.19496	1.9
233.15335	1.3
234.51675	1.3
239.17957	11.4
247.20720	2.9
250.67155	1.3
257.19019	12.4
273.18515	2.4
275.20059	100.0
276.20410	2.9
277.21701	3.0
291.19574	7.7
293.21082	46.5
293.24396	2.3
352.84662	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
53.10947	0.8
55.01867	3.9
55.05509	18.0
57.03450	1.1
57.07069	1.0
62.42273	0.7
67.05502	19.5
69.03427	2.6
69.07063	10.7
69.22407	1.4
69.22806	4.1
71.05002	1.6
72.21750	0.8
79.05489	18.5
81.02200	0.7
81.03405	5.7
81.07049	20.2
83.04971	5.6
83.08614	21.7
83.09098	1.5
85.06546	1.7
86.09708	4.1
91.05473	18.8
93.06455	1.1
93.07040	18.6
93.07602	1.3
95.04960	16.5
95.08595	14.2
97.06536	5.4
97.10155	9.1
103.05479	1.2
105.07024	20.9
107.04954	11.3
107.08582	20.9
109.06519	3.6
109.10149	7.4
111.08064	2.5
117.07013	7.7
119.08576	17.9
121.06477	3.8
121.10150	10.8
123.08054	3.7
123.11755	1.2
125.00003	1.9
125.09628	9.6
129.07016	2.7
130.07855	0.8
131.04924	2.3
131.08554	10.9
133.06508	1.0
133.10123	16.2
134.10446	1.0
135.08095	5.3
135.11684	4.9
137.09598	1.8
139.11168	1.1
141.06996	1.8
143.08586	2.4
145.06551	1.9
145.10114	15.0
147.08073	1.9
147.11667	10.7
149.09605	18.1
149.13292	1.4
151.11182	2.5
153.09093	1.3
155.08545	1.9
157.10092	4.2
159.11691	8.8
161.09602	1.7
161.13284	3.6
163.11183	18.7
163.14804	0.8
164.07104	2.9
165.12769	2.7
167.10713	1.2
169.10176	2.8
171.11676	4.3
173.09627	3.5
173.13239	4.1
175.11227	2.4
175.14787	1.2
177.12775	2.2
181.12341	1.2
183.11690	3.0
184.07347	12.9
185.13231	1.3
187.11192	1.6
187.14886	1.7
189.11201	8.7
189.12672	1.5
191.14357	1.3
192.46054	0.9
197.13229	2.6
201.12698	1.2
205.12201	1.7
210.47491	0.8
211.14929	0.8
223.13300	10.8
229.19524	2.1
233.15334	1.3
239.17934	8.9
247.20569	1.0
249.14934	2.8
257.18930	9.9
273.18448	1.9
275.20047	100.0
276.20389	2.7
277.21396	1.0
291.19601	1.9
293.21082	41.3
294.21503	1.4
427.28329	2.2
445.29544	1.5
453.33606	1.0
549.39331	1.3
550.78174	0.8
561.24896	2.2
567.40210	0.9
585.40839	1.2
591.04187	1.0
620.07147	0.8
620.43494	3.1
621.26880	5.5
621.37518	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58354	3.4
55.01876	9.4
55.05515	35.4
59.95692	3.8
61.49728	3.6
67.05503	35.7
69.03433	3.9
69.07071	14.6
69.11362	22.5
79.05494	38.0
81.07056	62.2
83.04972	14.0
83.08630	23.2
83.74350	3.1
85.06555	3.4
91.05484	45.6
93.07043	30.9
95.04974	18.5
95.08614	20.9
97.06564	5.9
97.10193	31.6
105.07027	35.5
107.04986	6.0
107.08605	23.6
109.06521	8.3
109.10159	9.7
111.04450	10.2
111.08099	12.1
117.07015	18.9
119.08576	43.4
121.06494	5.5
121.10156	15.9
123.08099	10.8
125.09635	29.2
129.07007	9.4
131.08559	20.8
133.06552	4.5
133.10115	20.7
135.08073	7.1
135.11679	10.6
139.11200	4.4
143.08569	9.6
143.18623	3.4
145.10147	21.6
147.08035	13.4
147.11653	18.7
149.09605	4.9
153.09123	7.2
157.10167	10.3
158.11043	3.3
159.08116	7.1
159.11703	13.9
161.09595	6.9
161.13268	11.9
161.27194	3.4
163.11179	13.7
165.09088	7.6
168.30853	3.7
171.11707	7.7
173.07001	3.3
175.14816	3.9
181.12244	5.2
184.07564	4.3
185.13257	9.2
189.11166	24.8
191.10693	7.7
223.13127	3.5
227.12766	11.0
241.19501	7.7
257.19122	5.6
259.20557	33.2
273.18546	29.8
275.20081	12.0
277.21643	7.9
286.32346	3.8
291.19525	100.0
293.21027	6.8
309.20514	6.1
395.29340	4.6
549.39252	8.8
567.40356	6.2
572.26447	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	620.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
53.52292	0.9
55.01871	3.3
55.05254	1.6
55.05510	20.8
57.03434	1.5
57.07076	1.2
63.29348	0.8
63.96649	0.7
65.03929	1.7
67.05504	27.3
69.03432	3.1
69.07066	12.0
71.04995	2.3
79.05489	26.1
80.78840	0.8
81.03008	0.7
81.03413	4.8
81.06569	1.4
81.07051	27.9
83.04977	5.2
83.08614	19.8
85.06501	1.6
85.81458	0.7
89.06025	0.9
91.05474	29.1
93.07044	27.5
94.10218	0.8
95.04969	22.2
95.08604	18.2
97.06522	4.9
97.10162	7.7
99.08101	1.1
103.05493	0.8
105.04535	1.0
105.07026	28.3
107.04954	9.4
107.08588	18.1
107.91087	0.9
109.06509	6.0
109.10143	8.9
111.08059	4.5
115.05417	0.9
117.07021	10.9
119.08580	24.3
121.06518	4.9
121.10144	12.6
123.08072	4.2
123.11716	2.2
125.09648	5.5
128.06352	0.9
129.07042	4.6
131.04965	0.9
131.08563	14.2
133.06496	1.2
133.10120	19.8
135.08064	5.5
135.11693	7.6
137.09669	4.6
137.10510	0.9
139.11243	1.2
141.06998	2.2
143.08559	3.7
145.06526	1.8
145.10115	20.4
147.08054	1.7
147.11688	12.0
149.09615	21.7
149.13287	3.0
151.11211	2.6
153.09111	0.9
155.08563	2.7
157.10162	3.8
159.11702	11.2
161.09612	1.9
161.13246	3.8
163.11182	20.2
165.12769	3.6
169.10153	3.3
171.11618	4.3
173.09659	2.7
173.11913	1.4
173.13210	4.7
175.11195	3.6
175.14865	1.2
177.12811	2.6
181.10100	1.0
181.12265	1.1
183.11700	3.1
185.13309	2.2
187.11183	1.6
187.14806	1.2
189.11221	6.4
189.12790	2.1
191.10611	1.3
197.13277	2.8
199.14716	1.2
201.12704	1.1
203.14378	1.1
205.12157	1.8
207.11696	0.9
207.13823	1.0
211.14940	1.0
213.16422	0.8
215.17952	1.7
223.13242	15.0
229.15993	1.3
229.19490	4.0
233.15424	1.6
235.16917	1.9
239.17902	7.6
247.20567	3.2
257.18997	13.4
273.18521	2.8
275.20062	100.0
276.20413	2.7
277.21671	1.4
291.19553	3.1
293.21088	38.8
293.24396	1.9
294.21490	1.6
559.26373	0.9
567.40649	1.5
585.41431	1.0
620.43262	0.8
621.26874	2.5
621.37103	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.6
55.01868	5.1
55.05513	29.4
57.07068	5.8
67.05505	28.7
69.07072	12.4
69.96263	7.0
71.08633	3.4
79.05490	24.5
81.03400	7.9
81.07056	31.5
83.04986	7.2
83.08604	13.8
85.10176	12.3
91.05479	24.1
93.07050	24.9
95.04967	23.9
95.08604	18.5
97.06553	4.3
97.10181	5.0
103.05451	3.4
105.07033	20.8
106.85970	2.3
107.04944	15.3
107.08581	17.0
109.06524	6.7
109.10155	6.0
113.09645	15.0
117.07050	6.3
119.08589	16.1
120.97591	2.3
121.06513	8.4
121.10136	10.1
123.08087	5.7
125.09628	3.1
129.06987	3.3
131.08553	10.9
133.10146	11.1
140.28484	2.5
145.10115	10.0
147.07980	2.5
147.11674	8.3
149.09619	14.8
151.11205	3.6
157.10078	3.4
159.11674	5.0
161.13239	3.1
163.11185	18.4
165.12750	21.7
171.11699	3.8
173.13266	2.8
175.11205	3.7
177.12741	3.9
189.11197	3.6
223.13283	11.0
239.17844	2.9
257.19055	7.7
275.20074	47.2
275.59027	2.4
277.21631	25.8
291.19489	16.5
293.21112	100.0
294.21356	2.5
295.22675	31.1
301.83411	2.6
403.19199	3.4
417.16788	3.9
419.22629	4.0
431.18671	4.7
445.20172	7.2
446.21109	5.5
447.21786	6.5
473.19211	3.6
474.20526	3.9
475.21176	4.1
487.21216	3.0
533.25183	6.9
561.24969	28.9
596.95685	2.7
621.17383	4.8
621.27057	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00073	0.2
56.15655	0.2
63.22255	0.3
69.32427	1.4
72.75106	0.3
82.03972	0.3
83.01101	1.0
84.01895	0.7
86.89616	0.3
95.01076	2.0
96.01875	1.2
97.02673	0.3
110.03348	0.3
112.01360	1.1
113.02134	3.2
116.55124	0.3
126.02842	0.4
133.06506	0.5
141.05196	0.5
157.04768	0.7
161.06013	0.9
163.03888	0.8
167.03177	0.6
176.49054	0.3
184.05086	0.4
185.04208	5.7
185.05801	0.3
190.99445	0.3
193.08649	0.3
201.03735	1.1
203.05327	0.9
205.04716	0.4
215.06856	0.9
217.04759	1.6
229.45172	0.3
231.06296	0.4
232.07068	13.4
233.07826	2.9
251.08844	0.4
285.15488	0.3
320.04938	0.3
381.11490	0.3
395.13245	1.1
407.13199	0.7
411.12366	1.7
573.20081	0.3
585.51855	0.3
591.20233	0.8
621.21497	100.0
622.21649	5.1
622.31165	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.3
59.97436	0.3
65.94160	0.3
67.05504	0.4
69.07047	0.4
85.02937	0.4
86.09721	0.3
90.50893	0.3
91.05472	0.4
103.05454	0.3
105.07057	0.4
109.06553	0.4
109.10136	0.4
111.00599	0.9
112.01368	0.8
120.08020	0.3
131.04938	0.4
135.08081	0.3
137.05995	0.5
141.05260	0.4
150.20592	0.3
158.38925	0.3
163.03954	0.8
164.15305	0.3
165.05421	0.3
169.04724	2.3
193.08339	0.5
217.04764	1.0
232.07060	8.0
233.07889	0.9
267.12054	4.5
270.64700	0.3
287.05414	0.3
309.13107	1.1
349.16272	0.9
351.14185	1.0
355.15561	0.5
367.55743	0.3
393.15289	0.6
395.16757	1.6
411.16245	5.9
495.58154	0.3
559.25421	1.9
561.23315	0.7
621.25153	100.0
622.25488	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	621.2709
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.13643	0.9
55.05510	0.9
57.71298	0.9
64.85208	0.8
67.05490	1.3
70.57759	1.6
74.08398	0.8
79.05482	1.0
83.66420	0.9
91.05486	1.7
93.07068	1.1
95.08611	1.2
107.08590	1.2
119.08684	1.0
264.99518	1.0
275.19974	1.0
340.30670	0.9
344.15039	1.0
386.16800	1.0
388.16855	1.4
389.17712	3.4
401.17767	1.8
402.18698	1.4
403.19266	4.1
404.19894	4.1
405.20761	1.7
415.19617	1.1
416.20078	1.5
417.16669	1.9
417.20953	2.8
419.22556	5.6
430.22006	1.3
431.18692	3.9
431.23148	2.1
432.19119	1.2
433.20291	1.2
445.20642	6.1
446.20944	3.9
447.21664	8.3
459.17212	5.2
460.18921	2.3
461.13306	1.0
461.19675	2.9
473.19336	1.8
474.20276	9.9
475.21234	20.2
476.21912	1.3
478.24011	1.0
487.21112	4.5
488.22086	1.5
501.22800	4.3
505.26669	1.6
518.22961	1.3
529.22754	1.1
533.25610	9.8
561.24933	42.6
562.25391	3.1
589.24402	1.5
593.27380	1.3
621.27008	100.0
622.27179	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	621.2706
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
68.78094	0.2
100.14840	0.2
109.10229	0.2
130.06581	0.2
186.61893	0.2
195.09288	0.3
207.09241	0.2
209.10690	0.2
211.12364	0.2
220.09958	0.2
221.10777	0.3
222.67992	0.2
235.12465	0.3
251.11940	0.2
267.34930	0.2
283.26935	0.2
284.12009	0.2
302.13428	0.2
314.13092	0.2
359.12537	0.2
373.14526	0.4
374.15546	0.3
375.16556	0.8
376.17807	0.3
384.17017	0.2
386.16162	0.2
387.16367	0.6
388.16788	1.0
389.17639	2.6
390.18387	1.1
391.19141	0.9
392.19937	0.2
401.17731	0.8
402.18900	1.3
403.15793	0.3
403.19431	3.3
404.20056	2.1
405.20779	2.5
406.21347	0.2
415.19278	0.7
416.15463	1.3
416.20477	0.7
417.16092	3.4
417.21133	2.3
418.17712	0.9
418.21655	1.0
419.22421	6.1
420.23004	1.0
429.16678	0.4
429.21518	0.3
430.17090	1.3
431.18134	6.7
432.18964	3.0
433.20041	2.0
442.18250	0.2
443.18991	0.6
444.19650	0.6
445.20087	5.5
446.20990	5.1
447.21768	8.2
448.22223	0.7
457.20468	0.2
458.20795	0.4
459.17352	0.6
459.21902	1.9
460.17761	0.4
460.23193	0.6
461.19357	1.4
462.20612	0.3
463.21823	0.2
473.19632	1.2
473.24057	0.7
474.20401	4.7
475.21231	6.6
476.21762	0.7
487.21497	2.6
488.21918	0.6
491.20258	1.0
501.22717	1.2
502.23700	0.4
503.20557	0.3
505.25812	1.1
506.23639	0.2
507.22180	0.2
517.22491	0.3
518.23334	0.5
519.21039	0.6
529.22552	0.6
533.25531	11.8
534.25970	1.1
546.22675	0.4
561.25000	18.2
562.25354	1.7
565.27661	0.3
589.24628	0.7
593.27576	3.1
594.27960	0.3
621.27045	100.0
622.27393	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	621.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16167	0.2
55.01840	0.2
55.05497	0.6
60.24934	0.2
64.24089	0.2
67.05487	0.7
69.07027	0.3
69.66917	1.0
79.05493	0.7
81.07049	0.8
83.08732	0.2
86.05325	0.2
91.05488	0.4
92.33046	0.2
93.07046	0.7
95.04977	0.3
98.22683	0.5
100.22423	0.2
105.07050	0.3
119.08607	0.4
123.08091	0.4
131.08623	0.3
135.11719	0.3
147.11729	0.3
195.09271	0.3
197.10739	0.4
209.10629	0.4
220.09833	0.3
221.10789	0.6
223.12459	0.3
233.10875	0.3
235.12177	0.3
249.10289	0.2
255.25493	0.3
259.12234	0.2
275.20285	0.5
293.21225	0.8
294.21747	0.5
310.13528	0.3
373.14993	0.5
374.15216	0.7
375.16232	1.0
386.16470	0.4
387.16107	1.2
388.16919	1.5
389.17654	3.4
390.18460	1.6
391.19189	0.8
400.17505	0.4
401.18018	1.5
402.13943	0.4
402.19028	2.1
403.19333	6.0
404.19962	3.5
405.20883	2.3
415.14957	0.5
415.19284	0.9
416.15292	1.6
416.20349	1.1
417.16968	4.4
417.21011	3.5
418.17651	1.2
418.21671	1.4
419.22324	9.0
420.22891	0.8
429.16699	0.6
430.17029	1.8
431.18164	8.8
432.18945	2.9
433.20029	2.0
443.18616	0.8
444.19617	0.7
445.20255	7.9
446.20886	5.7
447.21790	11.0
448.22589	0.7
457.20294	0.5
458.21368	0.8
459.17554	1.5
459.22031	2.4
460.18784	1.0
461.19873	1.0
463.21286	0.5
473.19666	1.6
473.24451	0.7
474.20389	11.3
475.21271	14.1
476.21835	1.2
477.22903	0.4
478.23734	0.4
486.20901	0.4
487.21323	3.8
488.22113	1.5
489.22827	0.5
491.20959	0.9
501.22897	1.9
502.23831	0.7
503.20425	0.4
504.21371	0.4
504.73944	0.3
505.27005	1.5
506.23318	0.3
517.22113	0.4
518.23004	0.4
519.19989	0.5
520.24500	0.4
529.22620	0.7
533.25568	11.8
534.25739	1.0
546.22864	0.8
561.24963	61.2
562.25269	5.7
565.28046	0.3
589.24506	1.8
593.27655	3.0
621.27032	100.0
622.27380	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	621.2711
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
51.22830	0.4
67.05482	0.7
69.07081	0.5
69.48210	1.6
81.07075	0.6
83.08591	0.5
88.48726	0.3
91.05495	0.5
95.08609	0.4
99.15725	0.4
107.08577	0.5
202.05588	0.4
207.09323	0.4
244.87747	0.4
274.58038	0.4
283.01950	1.6
339.28998	0.8
375.16003	0.8
387.16220	0.8
388.16776	1.2
389.17624	3.4
390.18512	1.5
391.19070	0.6
401.17789	0.9
402.18558	1.5
403.19363	5.9
404.20035	2.4
405.20819	3.0
406.21902	0.4
413.17279	0.5
415.19400	0.7
416.16171	1.4
416.20572	0.8
417.16074	3.8
417.21106	3.0
418.17120	0.7
418.21637	1.4
419.17902	0.6
419.22473	7.4
420.23096	0.8
429.16809	0.8
430.17715	1.2
431.18042	7.8
431.23709	0.9
432.19199	3.7
433.20010	3.8
434.20874	0.6
443.18430	0.7
444.19559	1.1
445.20172	7.2
446.20969	8.4
447.21829	10.7
448.22430	0.7
459.17419	1.0
459.21991	2.5
460.18088	0.6
460.23288	0.6
461.19302	2.4
463.21429	0.5
473.18683	0.9
473.23618	1.3
474.20322	7.0
475.21286	9.1
476.21613	1.1
478.23502	0.6
487.21326	4.4
488.22125	1.3
491.21133	1.3
501.23431	2.0
503.21078	0.4
505.26266	1.2
518.23035	0.8
529.22333	0.9
533.25574	17.1
534.25732	1.4
561.24988	22.9
562.25330	2.0
565.27478	0.6
589.24487	1.4
593.27527	4.3
603.34607	0.4
621.27063	100.0
622.27478	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	621.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
61.86218	1.2
69.35746	1.2
69.50093	3.6
69.50473	2.6
70.81921	1.4
81.07054	2.5
85.74359	1.2
86.29733	1.2
88.94595	1.3
91.05515	1.3
149.02373	3.7
193.05130	1.6
205.61536	1.2
220.91957	1.2
271.01892	1.2
353.08432	12.4
355.10037	13.0
355.29080	1.3
383.09689	1.7
451.12289	4.6
453.13535	3.1
454.05164	1.5
483.14731	94.6
484.15280	4.7
485.16293	33.9
600.60144	1.5
621.28809	100.0
622.29163	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	622.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01872	0.5
57.03431	0.3
58.55945	0.2
58.99585	2.1
59.46410	0.3
67.05501	0.7
68.05008	0.5
69.03423	1.2
69.07071	0.4
71.04992	0.6
77.03967	0.3
79.05485	3.1
80.05016	0.4
81.03422	2.6
81.07053	1.2
85.01127	1.3
85.02900	1.1
86.00651	13.8
86.99048	0.9
88.02168	0.2
89.03912	5.8
91.05476	2.8
93.07055	3.0
95.04963	3.6
95.08593	0.5
96.04478	2.0
97.02905	2.2
97.06502	0.5
98.22623	0.6
99.04484	0.4
100.02187	0.6
101.48872	0.3
102.03761	1.5
103.05470	1.8
105.00106	0.7
105.04521	0.9
105.07046	1.0
106.06578	1.1
107.04955	4.2
109.02879	0.5
109.06519	0.4
109.10165	0.3
115.15756	0.2
117.03379	7.0
117.07011	0.4
119.08581	0.3
120.08092	0.3
121.06503	3.4
121.10130	0.4
122.02399	0.6
123.04422	0.5
124.03951	43.8
125.04294	0.3
126.05507	0.3
131.04944	0.6
132.01152	5.7
133.06480	0.3
133.10187	0.3
135.04410	17.4
135.11674	0.3
136.04726	0.3
137.09663	0.3
140.03415	1.6
144.05565	0.3
145.02849	11.4
146.06044	0.3
148.07585	1.0
149.02368	0.4
149.05975	6.7
150.05446	0.4
151.03908	3.5
153.05464	0.7
154.03194	0.6
163.03899	100.0
164.04243	1.9
164.05397	0.4
165.05530	0.4
165.09140	0.8
166.03252	0.5
172.11993	0.3
176.07076	0.8
177.05505	0.3
181.03357	0.5
181.04970	2.1
182.02698	13.2
183.03108	0.3
184.04263	1.4
196.05937	0.2
200.03976	0.3
206.06410	1.6
210.02238	0.3
210.05891	1.0
216.04851	0.3
224.07411	2.9
228.03249	17.7
230.04800	0.3
234.05835	3.4
252.06879	25.5
253.07214	0.6
275.20093	0.5
278.04910	0.2
280.06381	6.2
285.11398	0.3
289.07037	0.3
293.21249	0.2
298.07428	76.0
299.07797	2.6
307.08127	3.3
307.83386	0.3
325.09204	2.9
356.15790	0.3
414.11911	1.0
442.11636	1.4
460.12625	2.8
460.32397	0.5
461.14294	0.6
560.21606	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
55.31013	0.2
60.77447	0.3
64.93236	0.3
67.05505	0.9
69.98547	0.6
79.05490	0.6
79.48174	0.3
81.07062	0.9
83.04963	0.3
83.08624	0.4
91.05496	0.6
93.07040	0.7
95.04971	0.5
95.08605	0.7
105.07024	0.7
107.08576	0.3
109.10194	0.4
117.07009	0.4
119.08598	0.6
125.40819	0.2
131.08618	0.3
133.10088	0.7
145.10115	0.5
163.11212	0.5
165.12816	0.4
169.93910	0.3
210.11093	0.3
235.12259	0.3
240.79381	0.3
243.04535	0.3
275.20007	1.8
277.21671	0.5
293.21176	0.7
295.22650	0.6
299.76614	0.3
372.14993	0.3
373.14966	0.3
374.15411	0.3
375.15979	0.6
376.16486	0.9
387.16739	0.3
388.16611	0.8
389.17249	1.7
390.17990	2.9
391.18964	1.2
392.19684	0.7
400.17230	0.4
402.18100	0.9
403.15372	0.3
403.19186	2.6
404.15686	0.4
404.19748	3.9
405.20456	2.5
406.21048	2.5
415.19641	0.4
416.19852	0.9
417.15952	2.1
417.21005	1.3
418.17361	3.6
418.21500	2.3
419.17929	1.0
419.22769	2.4
420.22723	6.2
421.23111	0.9
429.17114	0.5
430.17584	1.2
431.17966	2.9
432.18552	6.6
432.24075	0.4
433.19400	3.7
434.20389	1.9
442.16678	0.3
444.19220	0.8
445.20166	1.8
446.20490	5.9
447.21387	5.8
448.22110	6.5
449.23257	0.4
458.20773	0.5
459.22260	0.5
460.17581	0.8
460.22314	1.9
461.18903	0.6
462.19534	1.3
464.21802	0.3
474.20367	1.6
474.24881	0.3
475.20691	5.2
476.21515	5.7
477.22406	0.6
478.24313	0.4
487.21552	0.5
488.21854	2.1
489.22205	0.9
492.21478	1.0
493.25421	0.3
502.23407	1.2
506.26062	0.9
519.23743	0.5
520.20599	0.4
529.22247	0.3
530.23126	0.8
533.25745	1.4
534.25824	11.9
535.26068	1.0
561.24969	1.2
562.25287	17.1
563.25647	2.0
590.24982	0.6
594.27991	3.0
595.27368	0.3
605.27142	0.5
622.27362	100.0
623.27759	11.0
623.37524	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.0
54.34091	4.0
55.01871	16.9
55.05511	52.7
57.03419	4.1
57.07079	6.9
67.05507	49.9
69.03429	7.3
69.07069	17.5
71.05003	4.7
79.05495	52.3
81.03416	5.9
81.07063	75.3
83.04972	16.1
83.08617	34.5
91.05466	44.1
93.07043	44.3
95.04966	53.0
95.08608	33.2
97.10168	40.4
105.07046	39.8
106.86912	4.4
107.04958	6.9
107.08594	36.9
109.06578	10.8
109.10144	15.2
111.04462	9.4
111.08091	14.5
117.07027	21.6
119.08567	44.0
120.08918	4.4
121.10140	18.5
123.08091	11.5
123.55407	4.6
125.09639	29.5
129.07004	10.9
131.08548	24.1
133.10127	29.3
135.08032	8.0
135.11699	15.8
139.36916	4.5
143.08495	5.0
145.10143	26.9
147.08066	8.0
147.11644	21.2
149.09624	14.3
149.13289	8.3
150.38596	4.3
151.11174	7.0
153.09097	18.5
153.12753	4.9
157.10100	6.7
159.11714	14.8
161.13246	12.3
163.11142	25.8
163.14922	5.1
171.11787	9.5
173.13231	10.0
175.14912	6.1
181.12303	7.1
185.13161	5.8
189.11203	34.7
191.10759	4.8
192.17647	4.4
193.12256	5.7
214.24577	4.5
223.13333	20.8
227.12840	6.9
239.17918	5.6
241.19518	5.5
243.21185	5.3
257.18912	6.9
259.20630	29.9
261.22141	6.1
273.18564	11.0
275.20108	45.5
276.20404	12.0
277.21396	17.1
291.19540	42.3
293.21106	100.0
294.21603	9.3
295.22589	4.8
373.10529	4.2
397.30728	7.6
415.31918	6.8
418.89410	4.4
447.20776	5.0
515.38641	5.9
533.39655	7.2
551.41046	7.9
569.41583	20.5
622.27441	10.9
622.37732	6.8
623.38922	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	623.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83936	0.8
53.10953	0.9
57.07048	0.9
62.94644	0.8
63.16825	0.7
67.05497	2.4
69.07033	1.0
69.66219	3.1
71.05009	0.9
79.05497	2.2
81.07053	2.0
85.06541	0.9
91.05473	4.1
93.07033	4.8
95.04999	1.7
95.08631	2.6
104.41948	0.9
105.07046	1.9
107.08603	1.3
109.10136	0.9
119.08579	2.6
119.30766	1.0
122.76333	0.8
131.08530	0.9
135.11725	1.0
137.09581	0.9
141.05502	1.3
165.09135	2.1
183.10236	1.2
201.11290	1.0
203.16304	0.9
301.30911	1.1
377.17773	1.9
378.18506	1.2
387.16302	1.0
389.17773	1.6
390.18896	1.5
391.19342	2.8
392.20020	2.6
393.20856	2.2
399.16846	1.2
400.17029	1.6
401.17670	1.5
403.19647	1.7
405.21133	2.1
407.22379	3.4
413.17389	1.8
414.18799	1.6
415.19357	4.6
417.16620	1.1
419.18512	2.0
420.19040	1.1
421.20419	1.0
427.19421	1.6
428.20285	1.7
429.20844	2.6
430.21677	1.3
431.18512	2.1
433.15942	1.3
433.20908	1.2
435.21796	1.5
443.23108	1.6
444.19592	3.1
445.20279	2.1
447.17810	4.5
448.18771	2.2
458.20844	1.6
459.17978	1.8
461.19562	4.6
462.20697	2.5
463.21381	1.8
471.22601	4.4
472.18951	1.0
473.19543	1.7
474.20709	3.5
475.21411	2.9
485.19775	2.7
486.20605	2.9
489.22644	5.8
490.19141	4.7
491.20883	3.7
499.21335	8.8
501.22791	2.9
503.20886	3.4
507.23801	1.8
513.19159	3.5
514.19849	1.0
516.21301	1.7
517.22418	14.6
518.23236	1.8
529.22296	7.5
531.19977	2.4
535.23425	3.9
536.23602	1.5
545.21765	23.9
546.22217	2.7
563.22961	2.9
564.23407	1.6
573.21387	6.8
574.21857	1.4
577.24304	3.6
591.22351	4.1
595.25836	1.7
605.23901	40.2
606.24292	3.8
623.24982	100.0
624.25293	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	623.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25905	1.2
55.05511	1.6
67.05498	2.0
68.30855	1.2
79.05482	1.8
81.07063	2.1
91.05451	1.5
105.07036	1.4
107.08596	1.9
119.08572	1.8
125.40182	1.4
154.13580	1.2
169.18254	1.5
281.46231	1.7
284.94461	1.2
326.12933	1.5
385.34500	1.6
389.17471	1.9
391.19131	4.2
392.20178	3.0
393.20584	3.3
399.15848	1.6
400.17215	1.7
401.17755	3.1
405.21136	1.5
407.22308	3.3
413.17844	3.1
414.18347	1.6
415.19308	6.9
417.21136	1.8
419.18887	3.6
421.20328	3.1
427.19391	1.9
428.19867	3.6
429.20782	3.8
431.18570	1.9
443.22797	3.1
444.19254	4.8
445.20129	2.3
446.21423	1.9
447.18079	4.7
448.18881	4.7
449.19666	1.8
461.19534	3.6
462.20090	2.9
463.21005	2.4
471.21732	5.7
472.22791	1.7
473.19281	3.9
474.20605	1.8
475.21329	2.8
477.19748	1.7
485.19574	3.4
486.20508	4.7
489.23633	6.1
490.19986	4.3
491.20334	3.2
499.21335	18.6
500.21890	2.2
501.22629	4.4
503.20703	4.2
507.24374	2.5
513.19147	1.9
517.22382	10.7
518.22040	2.3
529.22601	7.5
535.23138	5.6
536.24402	1.8
545.21796	43.2
546.22314	2.7
547.26715	2.1
555.19794	1.7
563.22736	7.6
564.23578	1.9
573.21326	10.4
605.23975	86.1
606.24261	7.5
623.24921	100.0
623.40594	3.2
624.25439	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	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47863	2.0
81.07102	0.7
136.81644	0.5
275.20056	0.6
277.21738	0.8
295.22852	0.8
377.17697	0.7
389.18359	0.8
391.19043	0.8
400.16830	0.7
401.17831	0.7
404.20483	1.0
405.20853	3.4
413.17883	0.5
415.19312	1.9
416.20013	0.9
417.21143	1.1
418.21497	0.7
419.17969	0.7
419.23114	0.9
420.23224	1.1
421.24023	1.9
427.19556	0.7
428.19821	0.6
429.20947	3.1
430.21875	2.1
431.22592	0.9
433.19257	2.5
433.25073	0.7
441.20950	0.5
443.22739	0.7
444.22940	1.5
445.20291	2.1
446.21356	0.8
447.17468	3.7
448.22754	1.4
457.24329	3.0
458.24872	0.7
459.21588	3.4
460.22656	3.6
461.19424	10.5
462.20218	0.9
470.20862	0.8
472.22711	1.8
473.19601	1.1
474.24902	0.6
475.21036	1.7
475.26041	0.7
476.21957	13.2
476.28220	0.9
477.21979	0.7
477.27142	0.8
485.23505	11.4
486.19620	3.1
487.20450	0.9
487.25919	0.8
488.22171	1.7
489.22870	2.4
492.25546	0.6
500.22455	1.3
503.24432	8.6
504.24988	0.5
505.22260	0.7
513.22711	1.4
515.24451	9.1
521.25452	8.6
522.25812	0.8
531.23920	17.6
532.24585	0.9
535.23999	1.6
541.22296	0.8
545.25238	2.2
548.23871	0.6
549.24957	15.1
550.25720	1.0
559.23315	8.0
563.26306	2.4
564.26648	1.5
591.25977	42.8
592.26575	2.0
605.38104	1.8
623.28619	100.0
623.38202	4.8
624.29059	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	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03230	0.6
60.05338	0.5
76.71866	0.6
89.41006	0.5
89.74066	0.5
98.23454	1.3
108.06409	0.5
140.56241	0.6
163.86601	0.6
237.13933	0.6
338.75720	0.7
375.17291	0.6
377.17819	1.5
378.18216	0.8
385.14255	0.7
388.18115	0.9
389.18405	0.6
390.18405	0.8
391.19254	2.1
392.19858	3.4
393.20898	2.4
400.16632	0.9
401.17422	1.5
403.19156	0.9
404.20685	1.3
405.20798	5.4
406.21481	4.9
407.22324	14.1
408.23096	0.7
413.17484	1.4
414.18417	2.0
415.19485	3.9
416.20099	1.3
418.22000	0.8
419.17639	0.8
419.22308	2.1
420.23047	4.0
421.23889	11.5
422.24466	2.8
427.19476	0.9
428.20016	1.7
429.20859	6.4
430.21408	2.0
431.18259	0.9
431.23270	0.8
433.19803	1.2
433.24142	2.5
435.25961	1.2
442.21808	1.3
443.22665	3.8
444.23422	3.1
445.19977	2.8
447.18253	2.2
448.19168	0.7
449.23297	0.7
455.18390	1.0
457.23959	2.0
458.25308	2.7
459.22235	3.9
460.22812	2.3
461.19092	5.9
462.20377	2.3
463.21115	1.4
471.22620	0.9
472.22806	3.0
473.18991	1.2
474.20078	1.5
475.21097	7.5
476.21277	4.3
477.22644	2.7
483.18039	0.9
485.23792	5.4
486.20557	1.0
486.24094	1.2
487.21506	2.3
488.22064	2.5
489.22855	4.4
499.21335	5.4
500.21780	1.2
501.22885	0.8
502.23688	0.6
503.24530	9.4
507.23740	1.2
513.22821	1.9
514.23615	1.1
515.24298	1.5
517.21704	1.5
517.25922	1.9
521.25598	1.0
531.24005	0.8
535.27002	7.8
536.26917	1.1
545.25433	26.2
546.25818	2.0
563.25977	1.1
564.27191	1.9
573.25134	7.4
574.25256	0.7
577.28217	1.1
591.26154	2.0
605.27637	13.7
606.27765	1.8
623.28607	100.0
624.28802	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	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.8
67.05507	1.6
69.07051	0.4
70.85109	0.3
73.12525	0.3
79.05499	1.1
81.07032	1.5
83.05002	0.3
83.08624	0.7
85.10199	0.7
91.05493	1.3
93.07038	1.5
93.17166	0.2
95.05012	0.7
95.08621	0.8
95.56519	0.3
97.06568	0.3
97.10166	0.6
97.57568	0.3
105.07048	0.8
107.04955	0.5
107.08605	0.8
109.10117	0.4
111.94159	0.3
113.09643	0.5
119.08590	0.6
121.10153	0.4
129.07047	0.3
131.08580	0.3
133.10141	0.7
135.11636	0.4
137.07162	0.3
145.10130	0.4
147.11710	0.7
149.09615	0.4
151.11180	0.4
155.31126	0.3
159.11761	0.4
163.11250	0.4
165.12782	0.9
209.10551	0.3
223.12523	0.4
275.20117	2.0
276.20444	0.8
277.21588	1.5
278.22058	0.3
293.21191	0.6
295.22775	1.2
296.23254	0.4
301.57568	0.3
331.18808	0.4
377.17694	0.4
379.74231	0.3
387.16727	0.3
389.17575	0.6
391.19098	1.3
392.19797	0.5
401.17746	0.6
402.18637	0.6
403.19232	1.6
404.20209	0.8
405.21136	1.4
406.21555	0.5
407.22272	1.2
415.19727	1.4
416.20242	0.8
417.21609	1.6
418.17303	0.4
419.22833	2.7
420.23090	1.2
421.23819	0.5
429.16464	0.5
429.21524	0.5
430.17947	1.2
431.18179	2.9
432.23544	0.7
433.20203	4.7
434.20761	0.6
435.21692	0.6
443.18124	1.6
444.18988	1.8
445.19745	3.8
446.21286	2.5
447.22006	4.6
448.22784	1.6
449.23434	0.6
457.20166	0.6
458.20929	5.8
458.26764	0.3
459.21561	4.2
460.22662	4.2
461.19043	0.5
461.24271	0.5
462.20615	0.6
463.21240	1.8
465.22708	0.3
471.21719	0.5
472.22739	0.4
473.23547	0.9
474.24301	0.4
475.21509	1.1
476.22162	1.0
477.22900	1.6
478.23819	0.4
485.23886	0.5
489.18756	0.4
503.24057	1.0
504.25220	0.9
505.21893	0.6
506.26352	0.4
517.22723	1.1
518.23065	4.6
519.23932	0.8
521.21960	1.2
530.22906	0.4
531.23944	0.6
532.24890	0.4
533.25488	7.9
534.26147	1.0
535.27820	1.7
545.25647	3.1
546.25946	1.5
563.26447	5.6
564.26923	0.4
573.24841	1.0
577.27887	0.9
591.26385	1.4
595.28802	0.3
605.27576	11.9
606.28326	0.7
623.28656	100.0
623.38794	7.1
624.29083	6.1
624.39258	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59712	0.3
67.05347	0.3
67.05643	0.3
69.06843	0.3
70.01414	0.8
77.76671	0.3
79.05327	0.4
79.05708	0.3
81.06897	0.3
81.07292	0.3
91.05271	0.4
93.06827	0.6
93.07337	0.3
95.04736	0.3
95.08406	0.4
95.08945	0.4
98.23394	0.4
105.06831	0.4
108.42931	0.3
113.09410	0.4
133.09901	0.4
134.10361	0.3
163.10864	0.4
165.12570	0.5
186.06076	0.3
215.45631	0.3
219.08450	0.3
237.13287	0.3
257.18759	0.3
275.19931	0.6
277.21646	1.5
293.20929	0.4
294.21448	0.3
295.22644	1.4
296.22845	0.5
331.18414	0.4
404.19421	0.4
413.17731	0.3
414.18448	0.4
415.19009	0.8
419.22705	0.4
427.19125	0.4
428.20026	0.6
429.20798	2.7
430.21133	0.9
431.18054	0.7
433.23709	1.1
442.21646	0.4
443.22464	1.9
444.23380	1.9
445.24222	0.6
447.21487	1.2
448.21649	0.4
449.22736	0.9
455.18329	0.4
456.19342	0.5
457.24185	0.9
458.25131	1.6
459.21335	2.0
460.22968	1.4
461.18741	0.9
461.23471	1.3
462.20468	1.2
463.21143	0.3
471.21655	0.5
472.17383	0.3
472.22668	2.9
473.23581	1.5
474.20163	0.4
475.20990	1.0
476.21609	0.9
477.22928	2.0
485.23325	3.3
486.24097	1.2
487.25339	2.3
488.21555	0.6
489.22534	1.0
503.24542	1.8
504.24991	0.5
505.22842	0.3
517.26068	2.7
518.24390	0.3
519.23889	0.9
520.24524	0.5
521.22601	0.5
531.23804	2.9
532.23999	0.4
535.25769	0.5
545.25427	35.3
546.25928	2.4
563.26324	9.5
564.26819	0.8
577.28241	0.5
591.25775	0.7
605.27527	3.5
623.28632	100.0
623.38983	10.4
624.29065	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	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69016	0.6
53.72796	0.4
62.77885	0.5
69.58549	1.9
136.79947	0.5
190.08179	0.4
237.13957	0.6
275.61441	0.5
298.13815	0.5
377.17642	1.0
378.18307	1.1
387.17139	0.5
390.18665	1.5
391.18958	3.0
392.19952	2.6
393.21024	1.3
399.16281	1.0
400.17206	1.1
401.17596	1.3
402.19247	0.8
403.19608	0.9
404.20523	1.6
405.20956	3.9
406.21378	3.0
407.22345	10.9
408.22812	0.6
412.17712	0.7
413.18036	1.3
414.18384	2.4
415.19186	4.2
416.20264	1.0
417.21030	0.9
419.17947	1.0
419.23102	0.8
420.23077	1.6
421.23889	8.1
422.24634	1.7
427.19370	1.5
428.20157	2.3
429.20905	9.1
430.21927	2.6
431.22720	1.1
432.19370	0.6
433.20071	1.1
433.24695	0.9
442.21762	1.2
443.22586	6.5
444.23578	3.6
445.20184	1.8
446.20572	0.9
447.17374	0.7
449.23282	0.9
456.19571	0.7
457.23856	2.4
458.25150	3.9
459.21765	5.5
460.22452	2.1
461.19012	4.2
462.20554	1.6
463.21072	0.7
470.21204	1.1
471.21756	1.6
472.22690	4.8
473.23386	1.8
475.21082	4.2
476.21375	2.3
477.22849	2.2
478.23465	0.8
483.18491	1.0
485.23639	8.6
486.20239	1.4
486.24649	1.5
487.21127	1.5
488.22125	1.0
489.22827	2.5
499.21350	3.5
500.22162	1.3
503.24454	4.8
507.28040	0.6
508.28241	0.6
513.22742	2.4
514.23712	1.5
517.26587	4.0
529.26154	1.0
531.24133	0.7
535.27435	3.7
545.25470	58.1
546.25800	3.9
564.27063	0.6
573.24878	12.8
574.25610	0.7
577.27881	0.6
591.25830	1.4
605.27576	78.6
606.27789	8.2
623.28601	100.0
624.18939	0.9
624.28918	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	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13075	0.7
57.02188	0.6
67.05486	1.5
69.18372	0.6
71.99036	0.6
74.37520	0.7
79.05500	0.6
81.07066	1.7
91.05486	1.2
93.07065	1.1
96.78005	0.8
103.74495	0.7
105.06989	0.8
107.08641	0.7
107.33559	0.7
110.59861	0.7
117.35010	0.7
119.08559	1.0
145.50403	0.7
203.03691	0.7
271.21011	0.8
275.20038	1.0
331.18723	1.2
337.71375	0.8
389.17773	1.1
401.17291	1.0
403.19376	1.6
405.20932	1.4
417.21371	1.7
418.21124	0.9
419.22256	4.4
430.17673	1.2
431.18347	2.3
431.22626	2.3
432.19586	1.2
433.20224	2.2
443.18652	2.1
444.19498	1.0
445.20163	8.6
446.20886	4.4
447.22028	4.1
449.23392	1.6
457.20584	1.6
459.21985	3.6
461.19406	1.5
463.21329	1.8
473.23431	0.9
475.21881	2.0
476.22083	4.5
477.22766	5.1
489.22995	0.9
490.23621	0.9
533.25525	12.5
534.25104	0.9
535.27496	1.1
545.26276	1.0
546.82800	0.8
563.26495	15.7
564.27155	1.0
591.26019	0.9
593.27814	3.3
623.28589	100.0
624.28766	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	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02077	0.5
62.64635	0.4
67.05499	1.0
69.61424	0.6
69.61739	1.1
79.05491	0.8
83.69138	0.5
85.88695	0.5
98.23479	0.9
112.25629	0.5
131.99565	0.5
134.90181	0.5
145.10146	0.7
148.57854	0.5
237.10345	0.6
245.13914	0.4
275.20026	0.7
315.19351	1.1
323.19571	0.6
328.14127	0.5
331.18793	2.4
339.14175	0.5
376.16431	0.7
389.17477	1.2
390.18289	0.7
391.19104	1.7
403.14993	0.7
404.20398	0.6
405.20654	1.7
406.21585	1.2
407.22327	0.7
415.19092	0.8
417.16513	1.0
417.21295	0.7
419.18423	2.1
419.22406	2.4
420.19061	0.7
421.23834	1.7
429.16672	0.9
430.17233	0.5
431.18506	1.5
432.19037	0.6
433.19916	3.2
434.20651	0.8
435.21533	1.1
443.18301	0.6
445.20215	2.7
446.20813	1.5
447.17435	1.2
447.22116	1.6
448.22516	2.2
449.23459	5.5
450.23651	0.6
458.20444	1.0
459.21613	2.0
461.18719	2.3
462.20221	1.2
463.21198	2.0
475.20972	1.5
476.21872	5.6
477.22745	4.0
489.22562	2.0
491.23846	0.6
503.24319	1.3
521.21716	0.8
533.25818	2.4
535.27240	4.2
545.25372	1.9
563.26538	18.4
564.26398	1.5
591.25745	1.0
595.29248	0.6
605.27448	3.2
606.27869	2.0
623.28314	100.0
623.38922	50.9
624.28583	5.0
624.39093	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21216	1.2
50.87354	1.1
52.04125	1.0
55.41529	1.0
62.12494	1.0
63.69386	1.1
69.69579	3.5
81.07059	1.5
81.35480	1.0
82.54306	1.0
83.50728	1.1
89.65840	1.0
93.07057	2.3
95.08646	1.2
102.95303	1.1
115.03356	1.2
123.08159	1.2
153.79036	1.2
169.68597	1.2
223.12306	1.3
234.64719	1.1
239.77707	1.1
288.06339	1.7
305.55127	1.1
331.18671	1.5
389.17590	2.8
390.18210	2.6
391.19177	1.5
398.98849	1.1
403.19113	2.7
404.19946	2.1
405.20953	8.1
406.21573	2.3
417.16467	6.0
418.17548	2.5
419.18521	3.1
431.17905	5.0
432.19266	7.8
433.20142	11.2
445.20230	4.2
446.20923	1.4
449.23215	2.0
461.19638	2.2
462.20529	1.2
463.21201	1.5
475.20444	2.2
476.22134	4.4
477.22964	6.1
489.23407	1.4
513.76770	1.2
519.23926	25.8
520.24097	2.4
545.33240	1.2
563.26501	16.2
579.26318	6.4
605.38428	1.8
607.65747	1.2
623.28381	100.0
623.38995	41.6
624.28406	6.8
624.38568	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	623.362
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	21.3
71.95238	1.0
72.96015	0.6
74.97591	0.8
79.05494	14.8
81.07018	0.6
91.05474	2.7
92.98634	0.6
95.04906	0.8
97.96776	1.8
98.97594	2.3
103.00662	1.5
105.00140	0.7
105.06995	1.1
107.08598	2.5
110.97548	3.6
112.99101	0.6
115.00649	1.3
115.97781	1.4
116.98565	1.2
121.01688	1.0
123.01237	0.9
127.00600	0.5
128.98611	5.0
129.02193	0.7
131.00206	0.5
133.01683	0.9
137.02750	1.0
141.02206	1.0
144.31531	0.4
145.01590	0.5
146.99663	3.4
147.03233	1.0
149.01213	0.8
149.02351	1.4
150.02608	0.7
151.00685	0.5
151.04221	0.7
152.00171	0.5
153.02188	1.9
155.03769	2.1
159.03250	1.0
161.01213	0.9
167.03781	1.1
169.01677	0.9
169.05365	0.7
171.02048	0.5
171.03287	3.3
173.04851	5.1
175.02724	1.1
175.06317	0.6
177.05852	1.1
181.01646	0.6
181.05321	1.7
183.03197	0.6
183.06937	0.9
184.04024	1.3
185.04892	3.6
187.06410	0.4
189.04390	2.4
191.05916	2.7
193.03651	0.6
193.05240	0.8
195.06920	1.0
197.04799	1.0
197.08505	0.9
199.02785	0.8
199.06407	5.2
200.03563	0.6
201.04291	0.6
201.07925	2.1
202.05045	1.0
203.05882	4.8
207.03302	1.4
207.06972	0.6
209.04948	1.1
209.06703	0.5
211.02748	0.7
211.06393	0.5
213.04272	0.6
213.07933	1.0
214.05087	0.5
215.09518	1.4
217.07419	4.0
219.09018	1.5
221.08633	0.8
223.02780	0.9
223.06447	1.0
225.04308	4.3
225.07988	1.7
226.05058	0.5
227.05913	2.1
229.07433	2.0
237.04411	0.7
237.07913	1.0
239.05843	1.1
239.09561	0.7
243.05368	1.1
243.09032	15.0
245.07034	0.7
247.08498	1.5
249.07947	0.6
253.07416	2.3
255.08951	3.1
257.10464	0.5
261.10132	7.9
265.11215	0.9
266.10629	1.9
267.09033	0.8
268.09882	2.7
269.10626	0.5
271.08255	0.8
273.10080	0.9
280.09915	0.5
281.10608	3.4
283.12024	0.6
284.11624	0.5
286.10864	0.8
288.10117	0.8
289.10141	0.6
293.10553	0.7
299.11710	0.8
301.11136	0.6
305.10596	0.6
307.12134	0.6
307.15704	0.6
313.14890	2.3
315.12296	0.6
319.12274	0.8
329.14282	1.9
331.15778	96.4
332.16248	2.9
347.15207	1.6
349.16846	87.7
350.17218	3.1
354.17160	0.7
367.17923	6.9
368.18161	0.6
372.18430	18.5
373.18588	1.1
390.19650	0.8
406.18646	0.9
419.17752	0.5
520.10870	0.5
623.36133	100.0
624.26495	0.8
624.36359	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	623.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	0.7
81.07056	0.5
83.08653	0.5
91.05495	0.6
93.07052	0.5
94.02843	0.4
95.08600	0.8
105.07046	0.8
107.08618	0.9
119.08615	0.7
125.00005	0.4
128.37967	0.3
141.05354	0.4
191.11180	0.4
214.75902	0.4
249.11058	0.5
275.19974	0.6
288.06427	0.9
301.61023	0.4
315.19406	2.0
331.18774	2.2
533.90881	0.4
563.26349	0.8
606.28699	0.6
623.39093	100.0
624.29626	0.4
624.39447	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	623.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99194	0.3
55.05520	0.4
57.07071	0.3
66.64755	0.3
67.05511	1.0
67.68593	0.2
69.07073	0.3
70.95564	0.3
73.91438	0.3
79.05508	1.0
81.07073	0.9
83.08640	0.6
85.10172	0.5
89.45032	0.3
91.05489	0.7
93.07042	0.8
95.08641	0.4
97.06574	0.3
97.10163	0.5
105.07043	0.9
107.04956	0.3
107.08635	0.3
109.10192	0.4
113.09665	0.4
117.06998	0.2
119.08582	0.5
131.08626	0.3
133.10146	0.4
145.10115	0.3
149.09529	0.4
151.07341	0.3
163.11140	0.3
165.12785	0.8
185.98949	0.3
242.88603	0.3
273.18643	0.3
275.20108	0.9
276.20447	0.6
277.21582	1.1
278.22098	0.6
279.54495	0.3
288.06598	0.3
294.21518	0.3
295.22549	1.3
296.23099	1.0
311.45242	0.3
315.19537	0.3
329.17227	0.5
331.19006	0.6
380.29688	0.3
553.31335	0.3
600.79510	0.3
605.38098	27.5
606.38470	1.8
623.39111	100.0
624.30029	0.2
624.39545	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	623.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57439	0.3
53.59649	0.3
55.05528	0.5
58.48353	0.3
64.99078	0.3
67.05505	0.9
69.07066	0.7
79.05493	0.9
79.64685	0.3
81.07062	1.0
83.08619	0.5
91.05475	0.8
93.07044	0.9
95.04975	0.9
95.08611	0.9
105.07028	0.7
106.21532	0.3
107.04984	0.3
107.08606	0.8
109.06540	0.4
111.08076	0.3
117.07084	0.3
119.08560	0.4
121.10159	0.5
124.08548	0.3
133.10167	0.6
134.10425	0.4
135.11679	0.4
136.12111	0.4
147.11740	0.3
149.09618	0.3
163.11180	0.4
257.19034	0.4
275.19992	1.8
276.20407	1.4
277.21597	1.2
278.22015	1.1
293.21121	0.8
294.21561	0.5
295.22742	0.8
296.23090	0.6
315.19366	1.5
331.18787	1.6
352.78915	0.3
357.88577	0.3
377.17371	0.4
386.13336	0.4
389.17889	0.6
389.51389	0.3
391.19083	0.6
402.18259	0.5
403.19089	0.9
404.19699	0.5
405.20505	0.9
406.21136	0.5
407.21960	0.5
415.19312	0.8
416.20117	0.5
417.16461	0.9
417.20859	0.9
418.17001	0.8
418.22116	0.5
419.17526	0.7
419.22745	1.6
420.22739	0.9
429.21017	0.5
430.17661	1.0
431.18546	1.4
431.23077	0.7
432.19235	1.4
433.19980	3.0
434.20187	0.6
443.18658	1.1
444.19342	0.8
445.19684	2.0
446.21024	2.0
447.21643	2.4
448.22153	1.2
449.22833	0.8
458.20801	2.9
459.21570	2.8
460.22626	2.2
461.19272	0.5
462.20062	0.5
463.21024	1.0
465.22696	0.4
473.23315	0.5
475.20752	0.9
476.21588	1.3
477.22580	2.0
487.24933	0.4
489.22775	0.5
493.54657	0.3
503.24033	0.7
518.22864	2.3
519.23419	0.5
521.21838	0.8
531.25079	0.4
533.25446	4.0
534.25403	1.1
535.26355	1.8
545.25726	1.6
546.25793	0.9
562.25403	0.4
563.26074	4.3
564.26447	0.6
577.28339	0.4
593.27307	0.4
605.27545	5.3
606.27551	0.8
623.28210	77.5
623.38959	100.0
624.28540	10.5
624.39355	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	623.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.9
57.03437	0.8
64.46858	0.5
67.05506	3.0
69.07069	0.8
69.37428	1.6
69.37828	1.1
79.05489	2.3
81.07053	2.3
91.05483	2.2
93.07040	1.9
95.04954	2.2
95.08595	1.4
105.07032	2.2
107.08594	1.2
109.06504	1.5
109.10170	0.7
113.06015	0.9
117.07020	1.2
119.08572	1.5
121.10156	1.0
131.08554	1.3
133.10152	1.0
135.08046	0.8
135.11644	0.5
143.08562	0.7
145.10165	1.1
147.08147	0.5
147.11722	0.5
149.13284	0.6
190.08640	1.0
209.08131	0.5
273.18518	0.7
288.06259	1.1
289.66928	0.5
291.19333	1.4
315.19312	0.7
331.18927	1.4
347.21997	0.7
405.20526	1.0
417.16803	1.0
419.18671	1.1
431.18329	0.7
432.19315	1.3
433.20087	1.5
445.20602	0.7
475.20996	0.6
476.22189	0.8
519.23755	3.4
563.26349	2.2
623.28387	15.7
623.38892	100.0
624.28735	1.9
624.39325	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	624.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.1
56.96556	1.5
57.03431	5.8
58.12122	1.6
58.70044	1.5
62.15511	1.3
67.05505	18.3
69.07069	9.9
71.07379	7.2
71.45115	1.3
79.05489	5.9
80.64438	1.5
81.07055	19.4
83.08614	6.7
85.76191	1.7
86.09711	44.4
91.05482	4.1
93.07039	4.1
95.08603	13.3
97.10179	3.0
104.10741	8.1
105.07032	3.3
107.08593	2.6
109.10155	6.7
118.22665	1.5
119.08596	3.0
121.10167	2.6
123.11790	2.4
133.10117	2.2
146.16383	1.5
146.98181	53.2
146.99353	3.0
162.26163	1.8
181.19882	1.4
203.00877	11.3
206.05553	2.0
262.08173	9.7
278.33649	1.6
332.16083	1.8
337.27469	15.3
349.16943	3.6
350.17035	2.4
461.20557	4.9
483.24823	42.4
540.75842	1.8
542.32159	100.0
543.32172	5.2
624.24390	6.0
624.32446	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	625.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
60.12283	0.2
67.01884	0.3
68.99815	0.2
69.03407	0.4
70.43623	0.3
79.05488	0.2
81.03422	0.8
81.07075	0.3
85.02899	0.3
89.03909	1.4
91.05479	0.2
93.07005	0.2
95.04979	0.2
97.02868	0.1
99.04456	0.1
107.04948	0.3
109.02869	0.4
111.08111	0.2
117.03380	1.5
127.03874	0.2
135.04402	3.0
137.05960	0.2
145.02853	2.2
149.05988	0.5
151.03911	0.5
153.01805	2.5
157.31801	0.1
163.03897	22.0
164.04257	0.3
171.02885	0.5
175.03891	0.8
177.05525	0.2
181.04904	0.6
181.14983	0.2
201.05431	0.2
213.05594	0.1
255.06557	0.5
258.05222	13.3
259.03024	0.1
259.05679	0.7
286.04700	37.0
287.05206	2.1
301.07050	100.0
302.07401	3.5
307.08139	1.3
325.09140	0.6
458.65247	0.2
463.11530	0.3
479.93173	0.1
625.15356	0.6
625.25952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
62.00201	0.2
67.01861	0.2
67.05492	0.4
68.99799	0.3
69.03437	0.3
70.06580	0.2
71.23615	0.2
79.05480	0.5
81.03411	1.1
81.07055	0.4
83.04946	0.2
85.02896	0.5
89.03928	1.2
91.05457	0.2
93.07034	0.3
95.08613	0.4
97.02913	0.4
99.04433	0.2
103.05463	0.2
105.04507	0.2
105.07058	0.3
107.04955	0.6
107.48696	0.2
109.02876	0.4
109.10155	0.2
117.03376	1.5
121.10130	0.3
125.02396	0.2
125.06058	0.2
131.04964	0.3
133.06450	0.2
135.04407	3.3
137.05959	0.4
145.02855	2.3
147.04396	0.3
149.05962	0.4
149.13232	0.2
151.03917	0.6
153.01817	2.3
161.05917	0.2
163.03905	25.3
164.04259	0.4
167.07085	0.2
171.02899	0.6
175.03889	0.7
177.05528	0.3
181.04964	0.8
201.05470	0.2
215.08997	0.2
220.09424	0.2
229.04796	0.2
255.06516	0.2
257.04529	0.2
258.05240	12.2
259.05725	0.4
271.05963	0.3
286.04712	30.7
287.05292	1.8
301.07062	100.0
302.07385	3.7
307.08105	1.7
325.09128	0.8
385.42462	0.2
416.15054	0.2
423.37454	0.2
463.12341	0.3
514.19586	0.2
625.15009	0.4
625.24945	0.2
625.35260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28053	1.0
55.01484	1.0
63.75408	0.9
67.05474	1.7
69.03424	1.4
69.10447	7.1
77.03921	1.5
77.08630	1.0
79.05473	6.5
81.03406	2.8
81.07048	2.5
83.04980	1.4
85.02927	2.0
91.05463	4.6
91.77774	1.1
93.07030	4.6
95.04976	8.1
95.08592	1.4
97.02878	2.6
103.05443	7.7
105.07005	3.2
107.04952	23.0
108.95376	0.9
109.02858	3.9
109.06520	2.6
111.04427	2.4
113.86421	1.0
115.05432	2.1
117.07014	1.2
119.04917	2.5
121.06497	10.6
123.04414	1.6
124.03942	1.5
125.02351	8.5
130.06519	8.0
131.04941	9.1
132.04463	4.6
133.02783	1.7
133.06468	2.0
135.04417	3.5
135.08063	1.3
137.05969	4.7
139.03889	33.2
146.06015	16.7
147.04401	2.9
149.05965	11.2
151.03903	15.7
153.05484	5.8
158.06006	17.1
159.04414	7.9
161.06007	2.1
163.03951	5.1
165.05464	51.9
166.06471	1.3
167.07048	24.3
169.20030	1.1
170.05962	4.1
172.03949	11.7
172.07561	10.6
173.06012	2.0
174.05505	3.5
175.03738	17.3
177.05467	21.8
179.07016	1.4
180.08051	2.0
181.12189	1.2
182.05971	4.5
183.06738	1.2
183.27705	1.0
184.07565	5.1
187.07449	1.5
191.06996	3.8
196.07539	5.8
198.05496	4.7
198.09074	5.2
200.07085	20.2
205.04703	3.3
205.08586	1.3
208.07442	5.0
209.08116	5.7
210.05438	1.8
210.09061	1.9
216.06284	1.3
216.08136	2.3
217.08809	1.5
218.04501	1.6
218.09804	1.4
219.06418	1.5
220.05969	1.4
224.07036	8.0
224.10693	1.5
226.08592	2.8
227.09093	2.2
230.09499	1.4
232.07085	2.6
234.09076	7.2
236.07013	4.2
236.10713	2.3
238.04883	2.5
242.04489	1.2
242.09654	1.7
246.07332	1.3
246.09468	1.4
248.10823	2.1
252.06595	3.8
252.10204	1.8
254.08199	2.7
258.09198	3.4
259.09824	1.2
260.10779	2.6
262.08524	8.3
264.10089	1.5
270.07358	2.3
276.10208	4.5
280.06064	2.7
280.09583	2.2
285.00955	1.1
286.08704	4.7
287.05438	2.3
288.10141	3.2
290.08005	7.0
294.11154	1.5
298.07025	3.6
301.07092	3.3
304.09708	7.5
306.11243	1.7
314.08054	6.4
316.09781	1.5
322.10712	3.4
326.06421	3.1
326.10031	1.4
332.09158	5.8
342.07687	2.4
350.10135	5.5
358.09210	4.7
360.08698	3.9
368.11197	11.2
378.09668	13.3
384.10889	1.5
385.12582	2.0
386.12238	3.3
396.10739	29.2
399.14111	1.7
410.12491	7.4
414.11743	7.4
428.13406	100.0
429.13666	4.2
549.96967	1.2
590.18304	2.7
618.88373	1.2
625.22314	40.5
626.22656	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	625.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09702	0.6
69.51966	2.2
79.05509	0.6
98.22757	1.2
111.25104	0.7
119.08588	0.6
125.98417	0.6
131.61560	0.6
177.96506	0.6
180.64243	0.5
203.05305	3.7
273.50256	0.6
281.12469	1.1
287.19870	0.7
349.18738	0.9
379.41928	0.6
436.09607	0.6
445.25656	18.4
463.26627	13.3
625.32025	100.0
626.32501	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	625.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82357	1.9
58.49194	2.3
67.05504	2.4
69.07061	2.6
69.58186	7.2
79.05486	3.5
81.07044	5.6
92.94110	2.0
93.07027	2.9
98.22712	3.2
105.07001	2.7
133.10100	3.1
157.10114	2.5
170.59286	2.0
232.30136	2.1
333.20309	4.3
593.26318	3.8
607.39026	2.9
625.28833	13.3
625.38525	100.0
626.38696	8.4
628.72693	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	625.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41965	0.3
69.13240	0.5
69.13641	1.3
85.33401	0.3
96.34447	0.3
119.06535	0.3
138.27631	0.3
153.34796	0.3
204.45117	0.3
226.57489	0.3
235.12984	0.3
303.98273	0.3
331.18912	1.6
463.19531	0.3
555.33069	0.5
596.14459	0.3
607.39667	21.2
608.39807	1.3
625.40729	100.0
626.40997	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	625.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79822	0.4
59.48421	0.4
67.05509	0.5
69.07043	0.4
69.20203	1.3
69.20605	0.9
93.07069	0.6
95.08585	0.4
98.22706	0.9
99.00662	0.5
100.30065	0.5
238.93651	0.4
251.12479	0.4
263.36642	0.4
273.12268	0.4
315.19208	2.6
333.20352	3.2
513.32019	1.1
527.33496	1.0
625.40723	100.0
626.41058	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	626.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99749	0.4
60.08167	2.0
69.03418	1.1
69.11758	2.6
70.06599	0.4
71.07358	0.9
79.05514	0.4
81.03418	2.1
84.00128	0.4
86.09699	7.5
89.03911	3.9
95.04971	0.8
95.24306	0.3
96.53197	0.4
97.02891	0.7
98.22648	0.9
98.98472	0.5
99.04462	0.4
104.10745	0.7
107.04934	1.8
109.02866	1.2
117.03396	5.5
121.10131	0.5
124.99999	4.8
127.03889	0.5
135.03351	0.6
135.04402	12.7
137.05986	1.1
145.02852	10.0
163.03896	100.0
164.04289	1.6
171.43462	0.4
181.04985	3.5
184.07333	24.5
267.08640	2.6
285.09634	1.7
307.08157	2.5
325.09167	5.4
389.97876	0.4
429.12125	0.8
451.23132	0.5
626.01849	0.8
626.25549	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	626.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
54.22736	1.8
55.01869	2.7
57.03421	2.4
61.02921	1.6
65.74934	1.3
67.05497	1.8
68.75677	1.4
69.03418	5.4
69.54810	4.0
69.55214	2.5
73.02895	1.4
79.05479	5.7
81.03423	3.5
85.02911	10.0
85.22898	1.5
91.05491	7.1
93.07046	2.4
95.01335	9.1
95.04967	13.1
97.02895	7.1
98.22669	1.5
103.05451	2.1
105.03397	2.5
105.04504	1.9
105.07035	3.5
107.04961	4.4
109.02873	2.1
109.06528	2.1
109.22090	1.4
115.05469	5.1
117.07022	4.9
119.04907	3.3
120.07976	1.9
121.02834	2.7
123.04443	8.6
125.02319	2.1
127.03947	1.6
128.06236	4.2
129.07005	11.4
131.04936	6.4
131.08562	3.7
133.02824	3.1
133.06511	3.9
135.04385	5.6
137.05981	5.5
139.03961	3.0
141.07022	8.7
143.04948	2.0
143.08543	5.0
145.02847	2.7
145.06488	10.9
147.04405	3.5
147.08022	4.9
149.02351	2.7
149.05984	2.3
151.03894	12.1
152.06213	1.6
153.05534	1.4
153.07022	4.5
155.04938	2.5
155.06015	1.7
155.08530	4.4
157.06505	11.1
159.04393	2.4
159.08063	4.7
161.05966	4.7
163.03926	3.3
163.07581	1.6
165.05490	100.0
165.06935	5.2
166.05864	2.8
166.07816	1.5
167.07101	2.5
167.08524	5.4
169.06480	6.8
171.04388	2.8
171.08040	6.7
173.05948	9.0
173.09651	1.8
175.03911	4.8
175.07510	5.9
177.05426	1.6
178.07817	2.5
179.03412	2.0
179.08525	6.8
181.06465	4.7
182.07172	1.7
183.04347	2.7
183.06586	1.8
183.08049	6.0
185.05960	6.7
185.09627	2.1
187.03917	2.3
187.07558	6.6
189.05478	5.4
189.09213	1.9
191.07065	2.8
193.04922	8.9
194.39818	1.6
195.08051	5.2
197.05989	6.1
197.09622	3.5
199.03799	4.1
199.07510	7.1
201.05470	19.7
201.09058	2.5
203.07036	5.9
205.06604	1.4
205.08607	2.6
207.08075	5.4
209.06064	2.9
211.07553	4.8
213.05525	2.7
213.09122	3.4
215.07036	4.1
217.04970	3.3
217.08643	4.2
219.06526	3.2
223.07533	5.4
225.05434	4.0
225.09106	4.0
227.03378	1.6
227.07083	3.9
229.04904	5.8
231.06567	2.2
231.10037	1.4
233.06087	1.8
233.07996	2.9
235.07497	3.0
239.06969	3.9
241.08632	5.2
243.06538	6.1
243.10155	2.1
245.04434	6.3
245.08157	4.1
247.05972	3.6
251.07019	5.8
252.07660	1.8
253.08694	3.6
255.06456	3.3
257.08044	3.1
259.05923	2.2
259.09720	2.4
263.05444	1.8
267.06558	2.9
269.08093	7.2
271.05914	2.3
271.09476	2.1
273.04028	5.5
273.07660	4.4
277.07129	1.9
279.06326	3.0
281.08286	3.3
287.09207	3.3
289.07077	3.7
291.08478	3.1
297.07584	6.0
299.09076	3.1
303.08664	3.9
305.10074	2.3
313.07242	3.3
315.08609	9.2
319.08160	1.8
321.09674	6.4
325.07083	3.4
331.08344	8.1
331.11752	2.4
333.09650	6.2
343.08081	16.7
345.09512	2.7
349.09030	2.4
351.10803	4.0
357.09598	6.8
361.09271	18.7
363.10654	6.4
365.12430	1.4
375.10736	34.9
376.10715	2.2
379.05524	3.1
379.10220	54.8
379.15012	3.0
380.10587	1.6
381.11774	3.0
393.11774	35.4
397.11218	3.3
411.12845	22.0
537.15387	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	626.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01892	3.7
57.03430	3.5
58.47566	3.0
61.02923	3.0
65.03938	5.7
69.03429	10.9
70.81468	4.5
71.01326	3.1
79.05484	8.9
81.03423	12.7
85.02901	19.2
91.05483	25.4
93.03428	3.5
95.01331	30.1
95.04970	28.1
97.02888	11.7
103.05422	3.7
105.03367	5.6
105.07029	6.4
107.04953	9.7
109.02864	4.1
115.05449	6.2
117.07016	11.9
119.04937	9.9
121.06475	3.6
123.04433	9.7
127.03879	4.7
128.06213	11.8
129.07021	19.2
131.04924	10.3
131.08571	5.4
133.02852	7.0
133.06471	9.9
135.04410	8.4
137.05957	8.1
139.03932	5.1
141.06993	9.2
143.04991	3.1
143.08548	7.1
144.05664	3.0
145.02814	3.7
145.06483	18.5
146.03543	2.8
147.04414	12.3
147.08043	5.0
149.02368	8.3
149.05978	6.8
151.03925	18.0
152.06219	3.1
153.06987	11.1
154.07793	3.8
155.04866	10.1
155.05960	3.8
155.08623	14.1
157.06500	20.2
159.04401	8.6
159.08040	11.7
161.06001	8.8
163.03912	12.0
165.05490	100.0
165.06941	6.6
167.08551	10.9
169.06456	8.3
171.04396	7.6
171.08003	13.9
173.05952	15.9
175.03876	19.2
175.07527	4.1
177.05518	4.1
178.06337	3.3
178.07762	6.4
179.07088	4.1
179.08542	23.2
181.06468	7.2
183.04549	3.9
183.08014	8.7
185.06010	14.8
185.09706	3.2
187.03979	3.7
187.07553	6.7
189.05441	11.1
191.03346	13.3
191.08647	2.9
193.04939	19.1
193.06494	3.3
193.08641	2.7
195.08070	12.5
197.05952	7.4
197.09723	5.9
198.58514	2.8
199.03908	8.1
199.07536	12.0
201.05396	19.0
201.29756	2.7
203.03476	7.4
203.07074	8.8
205.06462	3.9
207.08047	12.4
209.05980	8.6
211.07574	10.8
213.05484	6.7
213.09128	6.3
215.03412	4.5
215.07043	6.4
217.05040	5.4
217.08769	3.1
219.06517	3.7
221.04265	4.7
222.06877	2.8
223.07501	12.3
225.05447	7.4
225.09077	11.2
227.03412	7.1
227.07140	14.2
229.04860	13.1
229.08618	3.4
231.06512	7.4
235.07550	5.0
237.05386	3.8
239.06863	4.5
241.04944	2.9
241.08565	8.9
243.06502	5.9
245.04546	6.3
245.08150	5.1
247.06017	5.4
251.07048	17.0
253.08679	8.6
255.06520	8.7
257.04483	4.0
257.08121	6.7
259.06122	3.7
259.09647	3.6
261.07544	4.0
263.06918	2.8
267.06448	3.0
269.08163	14.9
271.09418	4.5
273.04306	3.3
273.07632	12.4
275.09375	3.4
277.07150	4.4
279.06567	12.4
281.08002	16.1
287.09079	9.4
289.10843	3.3
291.05096	5.1
291.08453	3.3
297.07550	17.4
299.09152	19.2
301.07053	4.8
303.08710	4.5
305.10303	6.0
307.06030	5.0
311.08911	3.3
313.06973	3.4
315.08600	16.8
319.08075	19.3
325.06958	14.3
329.10120	4.0
331.11874	6.8
333.09689	10.7
339.08423	3.2
343.08130	81.6
345.09433	3.2
347.11163	3.2
349.09195	4.2
351.10751	7.7
357.09686	23.2
361.09207	30.6
375.06323	4.5
375.10724	52.5
376.10776	3.0
379.10294	25.6
381.11914	4.9
393.11755	38.4
400.53357	2.9
411.12854	15.4
502.72345	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	626.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.1
55.05517	1.3
57.03436	1.6
60.55060	1.4
65.03960	1.5
69.03439	5.1
71.01365	1.4
71.43648	1.4
73.02940	1.3
79.05489	4.1
81.03426	4.5
84.08138	1.4
85.02902	11.0
87.04461	2.1
89.03946	2.3
90.59056	1.3
91.05482	7.2
91.06002	1.2
95.04967	6.8
97.02888	4.3
103.05456	1.4
105.03405	1.4
105.07005	3.1
107.04940	3.2
109.02894	1.9
109.06531	1.5
111.00780	1.4
115.03946	1.8
115.05477	4.3
117.03402	3.0
117.07040	8.3
119.04964	3.4
119.08611	2.5
120.08107	1.5
121.02832	2.1
121.06554	1.6
123.04432	4.2
128.06210	3.6
129.06999	8.1
131.04944	2.7
131.08598	4.7
133.02863	3.2
133.04959	2.8
133.06485	6.2
135.04425	12.4
137.05974	5.8
139.03897	1.4
140.82335	1.4
141.06987	6.0
143.04955	1.5
143.08577	4.4
145.02826	3.9
145.04971	1.4
145.06491	9.8
145.07242	1.0
147.04420	4.8
147.08063	3.6
149.02330	2.3
151.03879	9.4
152.06221	1.7
153.05592	1.2
153.06975	4.3
155.04890	1.9
155.08524	3.4
157.06438	8.3
159.04390	3.5
159.08064	5.2
161.05975	3.1
163.03896	51.9
163.07541	1.7
164.04347	2.5
165.05478	100.0
167.07178	1.9
167.08589	5.1
169.06493	5.0
169.10141	1.8
171.04420	2.6
171.08035	7.6
173.05966	8.1
173.09572	1.8
175.03876	3.4
175.07547	3.2
177.05498	1.7
177.07027	1.4
178.07739	1.8
179.03372	2.6
179.08554	3.2
181.05103	1.9
181.06535	4.8
183.04477	1.2
183.08060	4.6
185.05974	5.9
185.09567	2.2
187.07520	6.2
189.05521	4.6
191.06967	1.8
193.04974	4.7
195.08076	4.9
197.05966	4.0
197.09593	1.8
199.03786	2.1
199.07539	7.0
201.05453	7.5
201.09106	3.6
203.07037	2.9
205.04810	3.1
207.08095	3.2
209.06052	2.3
211.05878	2.1
211.07603	4.1
213.05492	3.5
213.09082	4.4
215.07059	5.6
217.04999	2.6
217.08612	2.5
219.06528	1.8
223.07549	4.5
225.05542	2.1
225.09157	1.7
227.06996	4.1
229.05011	3.6
229.08638	2.4
233.08000	1.7
237.00690	3.0
237.05402	1.7
239.07092	2.3
241.08632	4.8
243.06529	2.8
245.08148	2.8
247.06079	3.1
251.07037	4.1
255.06544	2.9
257.08206	3.1
259.05917	1.5
259.09622	2.3
269.08170	4.3
273.03738	2.6
273.07596	2.5
275.09244	2.7
277.07181	2.2
279.06558	2.8
285.07471	2.3
287.09082	3.0
291.08734	2.1
297.07483	3.0
299.09271	4.1
303.08591	2.5
305.10031	2.3
313.07083	2.4
315.08490	4.6
321.09927	1.8
323.11578	1.5
325.09024	1.3
331.08130	4.4
333.09698	4.9
343.08093	9.2
345.09601	2.6
349.09155	1.6
351.10577	6.0
357.09879	1.9
361.09204	9.9
363.10583	3.5
365.12427	2.3
375.10638	15.8
379.10242	53.2
381.04913	1.9
381.12015	2.3
393.11710	14.1
397.11240	2.7
411.12799	25.1
449.58801	1.3
626.20911	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	626.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.9
55.01870	7.5
55.05495	2.9
57.03434	4.3
57.31176	2.0
61.31330	2.1
65.03922	4.9
67.05522	3.2
69.03426	25.4
71.01349	6.4
71.04982	7.0
72.59517	1.9
73.02909	3.5
77.03930	3.5
79.05492	24.6
81.03417	49.1
81.07058	5.7
83.04976	3.9
85.02896	19.8
85.06538	17.1
91.05474	48.6
93.03413	2.5
93.07038	33.3
95.04960	22.2
95.08592	2.9
97.02892	24.8
99.04445	9.1
103.03942	5.8
103.05452	35.2
105.03407	2.6
105.04532	5.0
105.07026	41.0
107.04949	17.4
107.08596	6.0
109.02875	39.5
109.06499	4.1
109.10162	2.1
111.04411	4.9
115.03878	2.3
115.05472	21.9
116.06172	2.2
117.05514	8.2
117.07014	82.8
119.04941	2.8
119.08572	9.4
120.05724	2.7
121.02871	11.9
121.03616	2.7
121.06505	73.1
123.04407	6.4
123.08053	4.0
123.89120	2.4
125.02367	3.8
127.03911	25.5
128.06227	10.2
129.07011	27.4
131.04929	24.0
131.08545	7.7
133.02841	3.5
133.06500	8.1
135.04398	6.3
135.08052	100.0
137.05933	4.0
139.03880	12.6
141.05461	2.6
141.06967	5.3
143.04869	2.8
143.08572	3.6
145.06479	73.5
145.07584	4.9
147.04388	4.4
147.08014	6.4
149.02328	3.2
149.05978	36.9
149.09584	3.2
151.03918	3.6
151.07596	2.7
153.01811	3.3
153.05484	6.4
153.07036	2.8
155.04904	9.7
155.06049	9.6
157.06503	12.7
159.04417	50.6
159.06601	1.9
159.08017	12.0
161.05984	8.9
163.03964	5.5
163.07510	32.7
165.05533	18.7
165.09146	4.1
167.03392	3.9
167.07028	8.6
171.04358	3.1
171.08060	4.1
173.05981	83.1
175.07559	7.0
177.05473	4.8
177.09091	13.3
179.07033	7.4
181.08601	14.5
183.08044	3.0
185.04494	2.4
185.06021	5.6
187.07532	19.6
189.05472	5.1
189.09068	2.7
191.07021	26.9
197.06009	2.4
199.05989	3.6
199.07635	3.1
201.05472	16.9
201.09109	4.1
203.06970	4.1
205.08580	45.5
206.86763	2.5
215.07036	6.5
219.06496	23.6
219.10161	7.7
223.09628	2.4
229.08696	3.9
233.08029	25.4
237.07530	11.7
237.11156	4.8
247.09648	5.8
249.07861	2.6
251.09169	65.1
253.08775	3.5
257.08035	4.3
259.09882	2.5
265.10638	5.3
269.10153	4.4
271.05988	3.7
275.09067	10.8
277.88992	2.5
281.08115	4.9
283.11874	2.5
291.08627	4.4
293.10226	13.2
299.09219	3.5
307.11563	3.4
311.07602	7.5
311.11322	6.7
317.10028	2.7
325.09314	4.3
325.12814	24.1
327.08646	7.8
335.11078	4.4
341.10065	4.3
343.10126	3.1
345.09720	24.6
359.11142	22.3
363.10599	24.0
377.12296	51.5
381.11758	3.4
391.13864	6.0
395.13379	45.7
409.14694	4.2
542.93500	2.3
626.34442	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	626.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	2.1
53.03947	8.4
53.65176	1.3
55.01867	9.9
55.05513	2.1
57.03426	2.3
65.03938	5.9
67.05508	2.0
68.59704	1.2
69.03426	18.5
69.12742	9.4
71.01350	3.7
71.04984	3.9
72.62671	1.6
73.02908	4.9
75.04453	1.3
77.03917	3.4
79.05491	22.6
81.03414	36.8
81.07053	3.0
83.04956	1.7
85.02905	15.8
85.06545	9.9
87.04478	2.3
91.05476	40.5
93.03402	4.1
93.07045	30.7
95.04970	22.2
97.02897	26.7
97.06510	3.7
98.23383	2.0
99.04441	7.0
103.03940	3.6
103.05466	38.7
105.03389	2.3
105.04507	6.8
105.07030	32.8
107.04948	21.1
107.08586	3.0
108.04493	1.6
109.02872	35.2
109.06516	4.7
109.34497	1.2
111.04438	5.9
115.03986	1.4
115.05466	13.4
116.06224	2.6
117.05614	6.6
117.07017	59.5
119.04940	5.3
119.08567	5.3
120.05694	2.0
121.02870	17.8
121.06502	83.0
123.04432	7.8
123.08063	2.0
125.02334	1.8
127.03905	25.1
127.05392	2.2
128.06209	8.3
129.07002	22.8
131.04926	18.6
131.08562	4.6
133.02843	1.5
133.06441	6.6
135.04402	4.9
135.08049	100.0
137.06015	2.3
137.09622	2.3
139.03894	19.2
141.05437	2.1
141.06949	2.1
143.04904	1.8
143.08574	2.6
144.05690	2.7
145.06483	52.5
147.04396	3.2
147.08051	4.1
149.02341	14.5
149.05977	46.5
151.03926	3.7
151.07512	1.8
153.01794	2.5
153.05473	6.6
153.06808	1.4
155.04880	7.8
155.06033	6.4
155.08620	1.7
157.06516	6.5
158.61728	1.4
159.04410	26.4
159.08051	8.1
161.05977	3.9
163.03886	4.1
163.07556	29.6
165.05463	11.5
167.03400	7.6
167.07043	10.2
167.08253	1.6
169.06470	1.8
173.05977	59.2
174.06412	1.5
175.03935	2.0
175.07559	5.1
177.05450	3.9
177.09087	7.1
179.06973	3.6
179.08522	1.4
181.05035	3.3
181.08572	12.8
185.04488	3.2
185.05969	1.4
187.03873	1.6
187.07532	14.3
189.05440	3.2
189.09134	1.9
191.07024	20.3
193.08626	1.7
199.06020	5.5
201.05446	13.2
201.09203	1.4
203.07050	3.0
205.08569	29.0
205.28795	1.4
211.07538	2.7
215.07060	5.1
219.06535	20.1
219.10144	5.4
221.08081	1.8
223.09601	3.3
229.08601	3.3
230.68228	1.7
231.06502	1.6
233.08095	14.2
237.07591	7.7
237.11125	2.6
247.09584	8.3
251.09134	41.7
253.08723	2.6
257.08032	2.3
265.10699	4.6
269.10214	2.1
275.06009	1.3
275.09070	5.1
281.07913	2.6
289.10767	1.7
291.08524	1.7
293.06598	3.8
293.10190	9.3
299.09097	2.8
307.08362	1.6
307.11865	3.7
311.07590	4.3
311.11240	5.3
313.10776	2.0
317.10150	2.9
325.09250	3.8
325.12790	24.1
327.08707	7.3
341.09879	2.2
343.10181	2.6
345.05576	1.8
345.09616	17.8
355.09393	1.4
359.11267	16.6
363.10696	23.9
377.12271	33.7
381.11917	3.2
391.13766	3.6
395.13403	26.8
409.14853	4.1
427.16034	1.4
626.36121	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	626.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.7
69.03434	1.1
70.73204	0.6
78.35782	0.6
79.05502	0.8
80.49808	0.6
80.50258	0.7
81.07059	1.1
85.02902	1.3
86.06046	1.3
91.05462	0.8
93.07079	1.0
95.04945	0.9
95.08606	1.1
104.10752	0.7
105.07005	0.6
107.05034	0.7
117.07017	1.2
119.08591	0.8
121.06529	1.4
135.08055	0.7
135.61057	0.6
149.05971	0.7
153.01813	0.8
165.05522	0.7
173.06021	1.0
173.23288	0.6
179.07065	0.7
203.05281	3.0
215.07115	0.6
236.16245	7.6
251.09183	0.8
251.12660	1.7
257.83682	0.6
281.17358	1.9
304.22565	2.5
364.28732	0.8
366.22610	3.6
379.24716	2.1
402.29907	8.6
413.17819	4.8
464.29843	7.3
528.27887	2.4
626.35107	100.0
627.35406	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	627.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
53.23373	0.2
55.01870	0.2
55.05504	0.3
56.57489	0.2
57.03425	0.3
58.85811	0.2
63.02370	0.3
65.03929	0.2
67.01861	1.9
67.05485	0.6
68.99785	0.7
69.03445	1.1
69.07043	0.3
71.04987	0.3
79.05479	1.3
81.03412	3.8
81.07047	0.9
81.11861	0.2
85.02901	1.8
85.06550	0.2
89.03913	6.1
91.05497	0.5
93.07030	0.7
95.04954	0.8
95.08598	0.6
97.02879	0.9
97.06543	0.3
98.23443	0.7
99.04478	0.3
105.03402	0.2
105.07011	0.3
107.04961	1.9
107.08579	0.4
109.02862	1.4
109.10185	0.5
117.03375	8.2
119.04979	0.4
121.10155	0.4
123.04401	0.3
123.11705	0.3
125.02323	0.3
127.03896	0.6
129.01869	0.2
131.04916	0.2
135.04410	15.5
136.04646	0.2
137.05975	1.1
145.02846	12.1
147.04422	0.2
149.05975	0.6
149.13222	0.3
151.03937	0.5
151.07497	0.8
153.01822	16.1
154.02170	0.2
163.03896	100.0
164.04222	2.2
165.01782	0.7
167.07071	0.5
167.08530	0.3
171.02876	7.2
177.01878	0.4
177.05472	3.5
179.03381	1.6
181.04964	3.4
186.05556	0.4
187.04018	0.3
191.03407	0.3
195.02893	6.8
219.02852	0.6
233.18967	0.2
243.02864	0.3
244.87636	0.2
257.04483	1.1
258.05435	0.4
261.03952	1.1
269.21097	0.3
271.05997	0.9
286.04660	0.7
287.05405	0.6
303.08615	9.7
304.08963	0.3
307.08087	4.1
315.08704	0.4
325.09052	2.5
327.08688	0.4
345.09836	1.4
369.09631	0.6
393.09375	0.5
411.10538	0.6
447.11511	0.7
459.09003	0.2
465.11890	2.6
609.31677	0.3
627.28735	1.0
627.36804	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.2
55.05492	0.2
65.03918	0.1
67.05482	0.3
67.29198	0.1
69.03395	0.2
69.07045	0.4
69.27088	0.6
70.26688	0.1
79.05465	0.4
81.07012	0.5
85.02869	0.4
89.03923	0.2
91.05473	0.9
93.07023	0.2
95.04942	0.3
95.08573	0.6
97.02902	0.2
97.10108	0.2
102.04655	0.5
103.05444	0.2
105.07047	0.8
107.04927	0.4
107.08582	0.3
108.39692	0.1
109.10124	0.3
110.03650	0.5
115.05414	0.2
118.04160	0.2
119.04932	0.7
121.10101	0.2
123.04441	0.3
123.11651	0.2
124.05190	0.2
125.05978	0.3
127.03910	0.3
130.04172	0.8
131.04893	0.5
133.06450	0.3
133.10083	0.2
135.04395	0.4
136.05199	0.9
137.02370	0.2
137.05989	1.0
145.06531	0.2
146.03635	1.2
147.04427	1.7
148.05196	2.7
149.05956	0.2
151.03877	0.2
151.07521	0.3
153.01814	2.1
160.57442	0.1
161.05989	1.8
162.06746	0.7
163.03934	1.1
163.07562	0.1
167.07011	0.5
171.02846	0.2
181.04935	0.3
197.08199	0.2
203.03363	1.3
213.05478	0.2
223.58609	0.1
229.04939	1.9
241.04922	0.5
242.05739	5.6
243.06042	0.2
253.04930	2.0
255.06552	0.2
257.04440	35.7
258.05194	9.8
259.05634	0.2
267.06613	0.2
269.04385	0.8
270.05231	3.6
271.05951	1.1
283.06000	0.6
285.03922	4.3
286.04703	23.2
287.05460	11.2
288.05978	0.3
295.06012	0.4
297.03961	3.9
298.04028	0.2
299.05432	1.2
300.06134	0.4
301.07056	0.2
310.04691	0.2
311.05527	0.3
323.05624	0.4
327.04871	1.4
329.06760	0.2
341.06595	1.6
342.47089	0.2
359.08948	0.3
368.06891	0.2
373.07053	0.4
375.08606	0.4
387.08670	0.6
389.06360	0.2
391.07996	0.2
391.12741	0.2
403.07925	0.9
404.09036	0.2
414.07474	0.2
415.08020	0.6
417.15427	0.2
418.16083	0.3
431.07758	0.2
432.08469	2.5
433.09061	0.2
435.10739	4.2
436.11203	0.2
447.10754	19.7
448.11115	1.1
465.11798	100.0
466.12149	5.4
475.32999	0.1
627.16895	2.4
627.27875	0.3
627.36615	0.9
628.17664	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81501	0.3
54.40373	0.3
64.34603	0.3
67.05504	0.9
69.36264	1.4
79.05479	0.5
81.07050	1.5
83.08624	0.4
86.09701	0.5
91.05457	0.5
93.07073	0.4
95.04982	0.3
95.08575	0.5
103.48540	0.3
104.10757	0.4
107.08599	0.6
107.65080	0.3
109.02863	0.5
119.04920	1.1
121.02827	0.5
127.03925	0.8
133.10161	0.4
145.02824	0.7
149.13268	1.1
153.01817	4.6
159.11722	0.6
160.11217	0.5
161.92436	0.3
163.03807	0.6
171.02853	0.6
195.13782	1.2
258.08826	0.5
259.09131	0.4
267.26852	0.5
271.05994	100.0
272.06378	2.7
318.30029	0.7
350.23068	0.4
419.45490	0.4
465.11404	0.4
468.14221	0.3
588.55713	0.4
601.93964	0.3
609.30255	0.3
627.23932	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.393
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34302	0.2
56.96457	11.6
56.96952	0.4
71.95138	1.2
72.95954	0.4
74.97527	0.2
84.95901	0.6
84.96404	0.4
89.96192	0.2
97.96678	3.9
97.97346	0.4
98.97438	1.1
99.98250	0.3
105.00018	0.6
110.97566	7.5
110.98273	0.6
112.00477	0.2
112.99012	0.3
115.97829	1.9
116.98489	0.5
119.01633	0.3
123.01183	1.0
124.56428	0.2
124.99003	0.4
128.98607	9.1
128.99495	0.5
129.99301	0.3
133.98730	0.6
137.02727	0.9
138.99303	0.2
143.00156	1.3
145.01630	0.2
146.99652	4.4
147.00739	0.2
148.00261	0.2
149.02603	0.2
151.04167	0.3
152.00031	0.6
153.02065	0.3
155.03621	0.6
157.01634	0.3
157.05252	0.2
158.02469	0.3
161.01227	1.9
161.04741	0.4
165.00647	0.3
165.02100	0.3
165.05867	0.2
167.03648	0.4
169.05241	0.4
170.01114	0.6
171.03299	1.6
172.03917	0.7
175.02782	0.9
176.03427	0.8
177.04257	0.2
177.05739	0.4
179.02097	0.3
181.05241	0.3
183.03197	0.2
185.04810	1.2
189.04381	1.1
190.05133	1.8
191.03677	0.3
191.05751	0.4
193.03709	0.4
193.05226	0.2
195.06870	0.5
197.04756	0.4
199.06332	0.3
203.05829	1.1
204.06721	0.9
205.05284	0.2
205.07234	0.3
207.06792	0.6
208.06079	0.9
209.08498	0.4
211.06433	0.2
215.05844	0.2
217.07352	0.4
221.04779	0.2
221.08426	0.4
222.07596	0.3
223.10220	0.3
227.09402	0.8
231.08870	0.3
233.08240	0.2
235.06290	0.4
235.10056	0.3
239.09415	0.6
240.10223	0.3
241.11119	1.7
244.09712	0.3
245.08382	0.8
245.10580	0.7
249.07939	0.4
249.11853	0.2
252.10312	1.9
252.35030	0.2
255.12715	0.5
259.12180	1.3
261.07864	0.3
263.09540	3.6
264.10178	0.8
265.11060	0.6
270.11343	0.7
273.11438	0.3
277.10999	0.8
278.11728	0.3
281.10605	0.8
282.11182	0.4
285.11502	0.4
286.11252	0.2
289.10910	0.4
298.09799	0.2
299.13138	0.2
303.12646	1.9
313.14722	0.9
315.16269	49.5
316.16681	1.6
317.14124	0.7
321.13773	0.6
331.15775	2.2
333.17343	100.0
334.17618	2.5
351.18411	50.9
352.18756	1.4
354.17551	0.2
356.18961	10.6
357.19284	0.8
369.19519	0.8
374.20001	6.4
374.24829	0.3
375.20502	0.2
390.19785	0.4
407.35870	0.2
408.20425	0.3
591.37018	2.3
591.44690	0.2
609.38660	0.5
627.33472	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96480	15.8
56.96795	2.8
58.56118	0.4
67.05425	0.4
69.07734	2.8
71.95177	1.0
72.95991	0.7
73.96283	0.4
74.97522	0.6
81.07000	0.4
84.95971	0.5
93.06989	0.4
97.96741	0.8
97.99088	0.6
98.97468	1.4
105.00071	0.7
110.97579	2.0
115.00630	0.7
116.98550	0.9
123.01109	1.3
126.39542	0.4
128.98587	2.7
137.02600	1.2
141.02159	0.7
146.99519	1.2
151.04173	0.6
152.00081	0.5
153.02116	0.8
155.03772	1.0
157.01593	0.4
161.01103	0.5
167.03709	0.8
169.01683	0.4
169.05345	0.5
171.03142	1.3
171.06793	0.5
173.04680	0.6
175.02805	0.4
175.06354	0.9
181.05235	0.9
183.03152	1.2
183.06871	0.7
185.04849	2.9
189.04279	0.9
189.07997	3.9
191.05832	0.7
195.06848	1.2
197.04807	1.0
199.06442	2.4
201.07936	1.0
203.05882	2.9
203.07419	0.6
203.09451	0.4
203.74690	0.4
205.07362	1.3
205.09039	0.6
207.06944	0.7
207.08920	1.3
211.06371	0.8
213.07967	4.6
215.05916	0.8
215.09441	0.8
217.05516	0.6
217.07411	1.7
219.06914	0.8
221.08441	0.8
223.10106	0.9
225.07991	3.4
229.07379	1.9
229.11053	0.6
231.07141	0.6
231.09042	4.9
235.06288	0.7
235.10124	0.5
236.09639	0.7
237.07977	3.4
239.09578	2.2
241.07439	0.7
243.09053	3.0
243.59929	0.4
247.08490	0.6
249.07887	0.5
251.09448	1.8
253.11076	2.2
255.08955	1.5
257.10513	1.1
263.09625	0.5
267.08963	0.6
269.10666	0.9
271.12210	0.8
277.11121	0.6
281.10516	0.5
282.11035	0.6
297.13702	1.2
303.16455	0.7
305.17734	0.6
309.17502	0.4
315.16336	4.9
321.17160	0.9
333.17337	59.8
334.17670	1.4
351.18417	100.0
352.18683	3.0
356.19003	0.8
369.19498	20.4
370.20035	0.6
374.19995	17.5
375.20419	0.9
392.21130	1.3
408.20581	0.5
447.27094	0.9
465.28088	1.0
549.25012	0.4
567.26373	0.6
627.39514	60.2
628.39929	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	627.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.4
57.07074	1.7
66.49625	1.0
67.05515	1.4
71.04969	1.2
73.04681	1.2
79.05489	1.3
79.12431	1.2
79.55299	1.1
81.07037	2.1
82.36973	1.1
84.43959	1.0
91.67445	1.1
93.07049	1.7
95.08602	2.6
105.07088	1.3
119.08559	1.4
124.93747	1.6
145.10068	1.6
165.09125	1.6
195.00348	4.9
198.97444	14.9
198.99129	1.7
266.78345	1.2
290.56369	1.1
299.19592	1.3
315.19534	1.4
317.20865	15.4
333.20358	35.6
458.02783	1.3
507.26715	2.9
529.25299	12.9
530.25562	1.9
545.22632	1.5
609.41351	8.4
625.07697	1.3
627.32062	3.7
627.42273	100.0
628.42511	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	627.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07066	0.5
69.53489	0.8
79.05482	0.4
81.07060	1.0
90.42986	0.3
93.07079	0.4
95.08617	0.7
96.48161	0.3
105.07075	0.4
107.08613	0.4
109.10098	0.4
119.08605	0.3
145.10231	0.3
249.11003	0.3
280.56195	0.4
331.18793	0.5
333.20313	0.8
609.41211	23.7
610.41577	2.5
623.84802	0.4
627.42242	100.0
628.42572	9.1
659.62451	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	0.9
69.44505	1.9
69.44910	1.2
78.86380	0.7
80.01971	0.7
81.07088	0.9
83.51496	0.7
84.02305	0.8
86.18107	0.7
91.05473	0.7
103.66740	0.8
111.12653	0.6
183.00137	0.7
196.32802	0.7
221.11412	0.9
315.19025	0.7
333.20294	1.5
335.21774	1.4
377.67801	0.7
394.19742	0.7
422.64011	0.8
627.42279	100.0
628.42285	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	628.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.05504	16.0
57.03426	3.7
57.07078	6.6
59.98921	1.3
61.02918	3.7
63.82687	0.9
65.03945	1.5
65.64483	0.9
67.05500	35.8
69.03429	10.2
69.07064	28.7
71.04979	6.2
71.08612	2.8
73.02890	1.6
79.05028	1.8
79.05485	18.8
81.03411	4.3
81.06569	2.2
81.07052	46.3
83.04980	8.7
83.08612	18.3
85.02399	2.2
85.02900	34.1
85.03413	1.9
85.06541	4.3
85.10196	1.9
87.04462	8.9
91.05483	5.3
93.07043	27.1
95.04990	1.2
95.08603	39.9
96.08953	1.1
97.02890	13.0
97.06517	5.9
97.10162	13.7
99.04430	1.7
99.08113	4.8
101.05997	7.0
105.07036	2.6
107.04951	1.3
107.08594	22.4
109.02861	2.8
109.06519	1.7
109.10149	36.2
111.08062	3.3
111.11707	9.2
113.09663	3.2
113.91167	1.0
115.03955	6.0
115.07548	1.5
117.07003	1.9
118.56618	1.0
119.08547	2.9
121.10136	57.1
122.10402	1.1
123.11697	27.8
125.05962	1.1
125.09628	2.1
125.13263	4.2
127.03921	7.3
127.11170	5.3
129.05463	3.1
131.08598	1.7
133.10098	3.4
135.08054	2.8
135.11679	42.8
137.05975	1.8
137.13258	9.1
139.11191	3.2
139.14812	1.6
141.12712	3.1
141.26089	1.0
145.04945	8.1
145.10085	2.5
147.11641	1.7
149.09679	1.9
149.13245	22.2
151.14819	10.4
153.01797	3.1
153.12735	3.0
155.14317	1.9
159.11691	2.4
163.03865	1.4
163.05988	3.2
163.07404	1.6
163.11192	1.6
163.14792	4.8
167.07062	2.2
167.14326	2.0
169.15881	2.7
173.13327	1.2
179.17950	5.6
181.04985	2.0
189.16365	1.5
191.17929	2.3
205.19508	86.4
206.19781	3.5
215.17923	11.4
223.20555	100.0
224.20924	3.5
233.19022	24.2
241.21594	5.8
251.20047	36.2
257.04471	3.7
258.04816	1.7
259.05444	1.5
269.21097	88.9
270.21436	3.8
271.06039	5.0
272.06335	1.6
286.04688	1.6
287.05472	45.7
287.22073	7.9
288.05530	1.3
448.10806	2.2
465.11429	3.0
466.12082	11.6
629.18060	1.6
646.25092	1.2
648.72443	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	0.9
54.96391	0.7
55.01861	1.2
55.05499	1.9
56.05035	2.3
57.03435	1.7
57.07069	1.4
58.27074	0.7
67.05499	3.3
69.07059	3.0
69.07412	0.9
70.06600	0.9
70.39275	1.0
70.39597	0.9
71.05003	0.8
71.07374	11.6
71.08630	2.0
79.05476	1.1
80.41596	0.9
81.07060	5.4
83.08614	1.5
85.06551	1.4
86.09703	62.0
88.87990	0.8
90.46974	0.8
91.05507	0.9
93.07044	2.6
94.68139	0.8
95.08608	5.0
97.06625	1.0
99.08073	1.6
104.10739	4.8
105.07027	1.9
107.08582	2.5
109.06535	6.6
109.10152	2.6
118.85444	0.7
119.08583	3.1
121.10160	3.2
123.08064	13.1
123.11742	1.0
131.08582	1.9
133.10133	2.6
135.08084	3.4
135.11754	0.9
145.10104	1.0
146.98181	37.0
147.11678	1.3
149.13280	0.8
164.99254	1.0
175.14871	0.8
177.12842	1.2
179.14297	35.5
184.07248	0.9
188.00705	0.9
193.15941	2.3
205.15849	1.5
273.54675	0.9
292.11356	1.0
295.66000	0.9
331.26315	4.7
346.05704	0.9
347.26151	1.0
349.27264	2.0
371.25534	1.0
405.30008	6.2
427.28091	22.3
445.29236	84.7
446.29764	6.3
551.27448	5.6
569.28467	100.0
570.28937	8.0
628.35809	46.0
628.43433	1.4
629.36206	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	629.2731
Annotation	Resiniferatoxin
Peak:m/z	Relative Intensity
55.22916	0.4
67.05503	0.5
70.72815	0.4
81.71513	0.4
89.06046	0.6
98.22680	0.6
171.79936	0.4
175.09651	0.4
197.54361	0.4
368.64447	0.5
446.64474	0.4
480.27277	0.5
597.49438	0.5
629.27301	100.0
630.27606	10.3
630.35162	0.3
652.77783	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98874	0.2
56.04383	0.2
67.05484	0.3
69.08095	0.8
69.08525	0.5
70.06569	0.3
88.07627	0.3
102.09162	0.3
103.98508	0.3
138.69487	0.2
141.67847	0.2
158.71228	0.2
173.05559	0.2
207.06479	0.4
208.06874	0.2
264.87708	0.2
269.11169	0.2
315.19217	0.7
337.17471	100.0
338.17801	2.4
343.32520	0.2
349.31543	0.2
378.19980	0.3
400.11099	0.3
593.15088	0.2
597.26849	0.3
629.36102	6.5
630.36346	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.1
55.05504	0.2
55.92381	0.1
57.03436	0.1
67.01858	0.3
67.05500	0.5
68.99490	0.1
68.99773	0.3
69.03420	0.2
69.07074	0.1
79.05474	0.2
81.03424	0.4
81.07071	0.4
83.08634	0.1
85.02912	0.2
89.03925	0.1
91.05474	0.1
93.07052	0.2
95.04951	0.2
95.08600	0.4
97.02882	0.3
97.06518	0.1
100.11265	0.2
105.07015	0.1
107.04935	0.1
107.08566	0.2
108.99689	0.1
109.02866	0.4
109.06510	0.1
109.10145	1.0
117.03400	0.2
119.08572	0.2
121.06509	0.1
121.10149	0.1
123.11668	0.1
127.03905	0.2
129.01810	0.2
133.10014	0.1
135.04419	1.3
135.08017	0.2
137.02376	0.4
137.08583	0.1
137.09613	2.1
148.70815	0.1
153.01813	3.8
153.22313	0.1
155.10664	0.1
161.02335	0.7
163.03955	0.2
165.05519	0.1
165.09111	1.9
171.02898	0.5
177.05484	0.1
179.03416	0.2
183.10175	0.1
189.05415	0.1
199.04082	0.1
201.11188	0.3
213.05379	0.1
219.06505	0.2
241.04834	0.5
245.04362	0.1
259.06024	0.1
263.05502	0.1
269.04358	0.4
271.05969	0.5
271.22729	0.1
286.04666	0.1
287.05475	100.0
288.05811	3.5
309.13318	0.1
317.11127	0.1
327.14450	0.5
328.36124	0.1
329.06543	0.2
340.94400	0.1
395.07620	0.1
415.31796	0.1
433.32996	0.1
449.10889	0.2
451.14011	0.1
469.15176	0.1
486.34561	0.1
613.19293	0.2
624.47632	0.1
631.19952	0.8
631.34552	0.3
632.20447	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	631.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
62.40077	0.4
67.05569	0.8
69.03506	0.4
69.07140	0.4
74.21996	0.4
79.05556	0.4
81.03473	0.4
81.07104	0.8
85.02985	0.7
93.07150	1.1
95.05051	0.6
95.08687	0.5
97.06612	0.5
99.08174	0.4
105.07124	0.6
107.08688	0.7
109.10242	0.4
121.10267	0.4
138.02989	0.8
151.11313	0.6
152.11552	0.5
157.85370	0.4
159.11790	0.4
163.03978	0.6
167.03212	0.6
169.04897	0.9
185.05960	0.4
186.06726	1.5
187.07426	0.4
193.04906	1.6
195.50754	0.4
215.07030	0.5
224.83850	0.4
235.05998	0.5
251.16243	0.4
291.08688	1.4
323.07712	0.5
331.11819	1.6
333.09546	0.6
337.08917	5.5
394.82736	0.4
429.15451	0.5
435.12741	1.2
443.17426	0.5
448.43283	0.4
460.13062	0.4
469.18591	1.0
471.16211	3.0
487.15720	2.1
497.18329	0.9
501.17291	47.8
502.17688	2.1
529.16742	0.6
571.21307	1.0
599.20959	100.0
600.21210	4.5
631.23523	34.6
632.24298	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	631.2364
Annotation	Lustromycin
Peak:m/z	Relative Intensity
52.13226	0.2
59.56145	0.2
69.80227	0.4
69.80573	0.4
73.11536	0.2
81.07042	0.3
83.01083	0.2
85.02919	0.2
91.05518	0.3
93.07054	0.2
95.05000	0.3
95.09846	0.2
95.78825	0.2
95.79510	0.2
103.82748	0.2
121.10156	0.3
125.02109	0.5
135.08092	0.3
167.03180	0.2
169.04747	0.5
171.72296	0.2
179.23286	0.2
186.06569	0.6
189.99500	0.2
193.04686	1.0
217.08490	0.3
219.09918	0.3
221.04167	0.3
242.23460	0.2
263.08792	0.3
291.08325	2.5
323.10999	2.0
331.11459	0.3
331.96371	0.2
333.09656	0.3
337.08994	1.6
365.08142	0.3
365.12531	1.0
411.53564	0.2
435.12659	0.4
437.37256	0.3
451.15759	0.7
467.15381	2.1
469.18628	0.5
471.16531	0.3
487.15860	0.2
501.17291	7.5
506.27304	0.2
529.17102	0.7
555.60480	0.2
585.23346	0.4
599.21191	2.3
631.23584	100.0
632.23889	4.3
637.66052	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.2
56.96566	11.7
61.47906	0.2
62.92002	0.1
67.05492	0.2
68.02939	0.2
71.95259	1.1
72.96070	0.3
74.97620	0.3
79.05488	0.4
84.96032	0.5
91.05483	0.3
93.07047	0.4
97.96790	2.1
98.84635	0.2
98.97596	0.7
105.00166	0.5
105.07034	0.6
107.08574	0.3
109.10113	0.2
110.97565	3.0
110.98269	0.2
115.97812	1.3
116.98631	0.4
119.01716	0.2
119.08559	0.4
121.10118	0.4
123.01206	0.7
123.08113	0.2
128.98607	4.2
129.02299	0.2
129.99297	0.2
131.08543	0.2
133.10161	0.4
133.98875	0.5
135.08034	0.2
137.02733	0.5
141.02251	0.3
143.00169	0.8
145.10121	0.3
146.99651	2.8
147.08015	0.2
151.04317	0.3
152.00111	0.3
155.03807	0.4
161.01242	1.1
165.00728	0.4
165.05896	0.2
167.03802	0.3
167.10661	0.2
169.05367	0.3
169.86209	0.1
170.01219	0.3
171.03246	1.0
175.02843	0.6
176.03535	0.4
179.07497	0.2
181.05396	0.2
183.06987	0.2
185.04883	0.3
189.04297	0.9
190.05199	0.9
193.08977	0.3
195.06918	0.2
197.08482	0.3
199.06448	0.4
203.04128	0.3
203.05923	0.8
203.07611	0.2
204.06670	0.4
205.07436	0.4
208.06200	0.4
209.04858	0.3
209.08600	0.2
211.06410	0.2
217.07394	0.3
219.08923	0.3
221.08594	0.2
221.15308	0.2
222.07893	0.2
223.06448	0.2
223.08359	0.3
225.82552	0.1
227.06007	0.2
235.06459	0.2
237.11926	0.2
238.08740	0.2
239.09586	0.3
245.08534	0.4
249.08018	0.5
251.09518	0.3
259.10117	0.2
263.09589	1.8
265.11163	0.2
271.17276	0.3
273.11597	0.2
277.11145	1.6
278.11816	0.5
279.12469	0.3
281.10742	0.3
286.11316	0.2
287.16809	0.2
291.12747	0.7
292.13504	0.3
295.12122	0.3
296.13007	0.2
305.13956	0.2
315.16199	0.7
317.17841	34.8
318.18332	1.2
333.17325	2.3
335.18912	100.0
336.19299	3.7
337.19397	0.2
351.18542	0.3
353.19986	28.3
354.20474	0.8
355.20181	0.2
358.20508	15.8
359.20862	0.7
371.21030	2.4
375.22226	0.2
376.21561	4.5
377.20627	0.1
378.19336	0.3
392.21240	0.6
399.23257	0.8
595.40320	7.5
596.40369	0.6
613.40881	0.5
631.37012	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02477	2.0
52.13446	1.9
53.03940	3.0
55.01873	9.2
55.05508	23.1
56.67906	2.4
57.03429	7.9
59.04987	3.2
65.03920	2.4
67.05506	23.2
69.03413	2.9
69.07067	10.6
71.43236	2.6
79.05494	37.3
81.03405	4.5
81.07056	46.7
83.04983	18.0
83.08625	11.8
85.10198	2.2
91.05472	26.5
93.07037	30.1
95.04953	18.3
95.08616	18.1
97.02889	2.3
97.06550	6.2
97.10181	9.4
97.52288	2.4
99.04477	2.8
105.07033	27.7
105.28345	2.5
107.04948	18.2
107.08602	21.6
109.06496	16.0
109.10168	8.6
111.04441	13.6
111.08094	6.3
117.07014	14.4
119.08579	28.6
121.06503	7.9
121.10133	18.1
123.08074	7.3
124.37988	2.4
125.06031	5.9
125.09611	11.3
128.06239	3.9
129.07002	10.9
131.08591	13.4
133.06512	7.6
133.10130	9.7
135.08066	16.1
135.11705	5.7
139.11166	4.8
142.07755	3.2
143.08542	12.8
143.10709	5.7
144.09351	2.9
145.06497	5.3
145.10094	22.1
147.08057	14.8
147.11650	5.5
149.09621	10.1
153.09102	4.0
155.08592	6.8
155.10597	3.9
157.10161	11.3
159.08057	8.3
159.11685	10.9
160.08832	5.5
161.09616	10.9
163.11206	11.6
165.07037	3.1
165.09096	4.2
167.10719	5.0
169.10120	6.3
171.11749	6.4
173.09634	5.1
173.13258	3.8
175.11171	5.0
176.75340	2.2
177.09212	2.8
181.12259	7.7
183.11737	4.2
185.11734	3.3
185.13263	4.7
187.14793	4.2
189.11214	7.2
189.12741	4.3
191.10611	3.4
197.13254	5.9
199.11105	3.9
199.14925	2.5
209.13303	4.5
213.16328	2.9
215.14238	6.0
221.15384	5.8
223.13243	3.6
233.15329	13.8
237.16409	3.7
243.17516	3.8
255.17384	5.5
261.18591	5.6
271.16940	8.9
273.18469	24.0
289.17966	45.9
291.16245	5.2
291.19528	100.0
292.19934	3.3
295.59665	2.3
309.20526	4.8
539.40930	2.9
567.26929	2.6
632.43628	5.2
633.39166	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	632.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01873	5.9
55.05250	1.6
55.05508	16.4
55.34686	1.0
56.39388	1.0
57.03429	2.6
57.07073	1.2
67.05161	2.1
67.05502	20.9
69.03426	4.9
69.07063	12.7
79.05493	16.0
81.03407	5.5
81.07052	22.1
83.04965	4.9
83.08604	6.7
85.06536	1.7
91.05486	19.5
93.07040	16.6
95.04971	8.0
95.08589	10.6
97.02892	1.8
97.06523	4.4
97.10168	10.3
105.04515	1.9
105.07022	16.6
107.04940	10.4
107.08587	10.5
109.02870	5.0
109.06509	4.6
109.10146	4.7
111.08092	2.3
115.05446	1.7
117.07021	8.7
119.04953	3.8
119.08569	12.9
121.06525	6.1
121.10149	5.3
123.04433	1.8
123.08063	3.5
125.06007	1.4
125.09628	6.9
127.20893	1.4
129.06993	4.0
130.07790	1.5
131.08533	7.4
131.22299	1.2
133.06506	5.0
133.10135	5.4
135.08057	7.5
135.11685	3.9
137.09550	1.5
142.07715	1.8
143.08585	4.1
145.06378	2.2
145.10091	9.9
147.08049	9.0
147.11682	2.2
149.05998	1.5
149.09610	2.9
151.07498	1.2
151.78732	1.1
153.09084	1.3
155.08626	1.6
157.10112	4.1
159.08015	3.7
159.11673	3.4
161.09622	5.4
161.13234	1.4
162.10378	1.6
163.07513	3.4
163.11201	4.5
165.09113	1.2
169.10147	1.4
173.09697	1.9
175.11137	3.5
177.12785	1.6
179.10635	1.8
181.12149	1.7
183.11682	1.2
185.09491	1.2
187.11304	1.2
189.11208	4.2
189.12735	1.4
191.10664	1.4
193.12250	14.1
199.14980	1.3
221.11597	2.7
223.13264	9.1
243.17514	1.6
245.18918	2.1
249.14838	2.5
261.15146	1.4
261.18402	1.4
271.16946	4.2
273.18484	17.9
289.17987	36.8
290.18451	1.6
291.19531	100.0
292.19800	3.6
293.21130	1.5
307.19058	6.4
414.87112	1.6
424.19839	1.4
579.36829	5.7
597.37866	33.6
598.38141	1.6
630.28070	1.3
632.41992	4.9
633.39429	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	633.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.3
53.03943	0.4
55.01868	0.3
57.03418	0.4
60.02344	0.3
61.02924	0.4
66.48437	0.2
69.03429	4.4
70.27828	0.6
71.04996	0.3
73.02887	0.4
77.03924	0.4
79.05491	5.3
81.03401	0.7
83.04973	0.8
85.02903	2.1
91.05476	3.4
93.03373	0.4
93.07024	0.7
95.01328	1.2
95.04962	1.6
97.02902	1.4
98.23402	0.3
99.04459	0.4
103.05443	1.3
105.03391	7.1
105.04459	0.4
105.07009	0.9
107.04938	0.8
109.02936	0.4
111.04452	1.4
115.05453	1.0
117.07020	6.6
118.07330	0.3
119.04931	1.0
119.08600	1.2
121.02859	0.5
121.06507	0.9
123.04411	2.3
123.37954	0.3
125.02285	0.2
127.03888	0.6
127.05424	0.4
128.06215	0.4
129.05536	0.4
129.06999	2.6
131.04941	0.6
131.08521	0.6
133.02850	19.7
133.06476	0.4
134.03186	0.3
135.04381	1.0
135.08047	0.3
137.06003	1.4
138.06259	0.4
139.03868	1.1
144.50090	0.3
145.05078	0.4
145.06480	6.6
147.04390	1.9
147.08047	1.5
149.02347	1.9
149.05939	1.0
151.03891	2.4
155.04886	0.5
155.06027	2.1
157.05048	0.4
157.06415	0.6
159.04327	0.5
163.03882	2.0
163.07547	0.8
171.04440	0.3
173.05989	5.4
175.03886	1.2
175.06084	0.5
175.07564	1.8
177.01826	0.7
177.05482	3.8
179.03307	0.3
191.07071	1.6
193.08577	0.5
195.03015	0.3
201.05466	3.9
203.07076	2.2
209.08073	0.3
219.06508	10.8
220.06943	0.3
221.08104	1.6
229.05045	0.4
233.08102	0.6
237.07539	0.6
247.06006	100.0
248.06358	2.7
265.07043	5.8
279.08646	4.1
283.08310	0.8
297.09622	1.7
350.86154	0.3
354.23904	0.2
385.65445	0.3
391.10254	0.4
393.11755	0.8
407.15280	0.3
409.11292	0.6
411.12817	0.8
421.11273	1.8
439.12375	7.8
446.27789	0.3
633.18823	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19378	1.7
55.05512	4.3
56.96560	14.0
57.03434	2.0
60.92184	1.4
62.17328	1.3
67.05510	10.0
69.07076	2.7
69.80594	5.3
76.65566	1.5
78.57466	1.5
79.05496	5.9
81.03422	3.7
81.07060	6.8
81.19426	1.5
82.92256	1.4
83.04980	3.2
85.06543	1.8
91.05500	6.1
93.07032	11.6
95.04988	3.7
95.08623	6.6
97.06564	2.1
97.96821	2.3
98.97559	1.7
102.92642	3.6
105.07037	5.1
107.08604	5.1
109.02904	3.2
109.06506	2.6
109.10173	4.4
117.07062	2.0
118.92104	4.4
119.08604	5.4
121.10159	6.5
125.05953	2.1
128.98628	3.2
131.08614	3.6
133.10144	2.0
135.08034	2.0
136.93111	38.0
142.07822	1.7
143.08621	2.2
145.10144	4.6
146.99706	1.7
147.11749	2.2
151.07742	1.5
154.94167	68.5
155.08578	1.7
157.10187	2.4
159.11813	2.4
161.09598	2.4
163.11253	4.0
165.09050	2.0
167.10664	3.1
169.10097	2.3
172.95235	95.7
173.09682	1.7
177.95801	3.6
178.94193	2.1
181.10139	2.0
181.12263	5.0
182.99855	1.8
190.96288	33.8
190.97922	2.5
192.95834	2.8
193.10272	1.7
195.11827	2.7
195.96872	6.9
196.95233	4.2
201.00795	3.5
210.96785	15.8
211.11073	1.5
212.98491	1.6
213.12851	2.0
213.97948	2.5
214.96291	3.9
221.15388	2.7
222.96710	1.5
228.97850	27.8
233.15436	3.8
233.98488	1.9
237.12871	2.0
238.96432	1.8
240.97910	1.8
246.98946	5.2
249.16718	1.7
262.96234	1.7
275.20084	1.7
280.97458	4.9
298.99124	46.5
315.16559	2.3
316.99518	21.8
317.17877	46.4
318.18359	2.0
321.99982	2.5
335.18991	16.1
335.25714	10.1
340.01266	3.4
358.20676	6.3
391.21402	1.7
397.14517	5.1
453.17117	64.0
454.17142	1.8
471.18185	100.0
472.18488	2.6
489.19379	5.6
494.19696	17.4
615.40161	2.0
633.23645	75.0
633.40741	6.3
634.23749	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	633.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.2
56.69558	0.2
67.05496	0.4
69.46871	0.3
69.47279	0.5
69.65118	0.2
78.07436	0.1
81.07073	0.5
91.05466	0.3
91.80914	0.2
93.07050	0.5
95.04986	0.6
95.08598	0.3
98.23470	0.4
101.48103	0.2
105.07021	0.5
107.08595	0.3
109.06514	0.3
109.10147	0.2
119.08567	0.6
121.06535	0.2
121.10159	0.5
123.08092	0.5
131.08597	0.2
133.10109	0.3
136.70425	0.2
137.09645	0.2
141.15483	0.2
143.08537	0.2
145.10089	0.5
147.08061	0.2
147.11765	0.2
149.09543	0.2
151.07570	0.4
155.08566	0.2
156.46654	0.1
157.10265	0.2
159.11708	0.3
161.09615	0.3
163.11186	0.4
167.10722	0.2
178.12303	0.2
181.12239	0.2
183.11624	0.2
209.13310	0.2
221.15385	0.7
286.19223	0.4
287.20099	0.2
317.20941	1.6
339.19070	100.0
340.19409	2.7
366.05225	0.2
380.21689	0.5
417.22260	0.2
633.40179	4.3
634.40039	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12097	0.2
62.97928	0.4
62.98256	6.5
67.05504	0.2
76.34573	0.2
80.26859	0.2
81.07044	0.3
82.31028	0.2
89.96962	0.2
92.78828	0.2
103.98502	1.4
107.08600	0.2
116.99233	0.4
120.70181	0.2
129.54204	0.2
131.00795	0.3
145.02374	0.8
147.11748	0.2
168.31703	0.2
173.01949	0.4
188.07790	0.2
194.31468	0.2
227.10210	0.2
241.11749	0.3
269.11215	3.9
270.11841	0.2
317.20856	1.0
321.17996	5.4
337.16782	0.2
338.16910	0.2
339.19052	100.0
340.19412	3.9
357.18594	0.8
365.90854	0.2
380.21521	0.7
597.37622	9.0
598.38269	1.0
615.38776	0.9
633.23639	0.4
633.39197	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36177	0.2
52.36446	0.2
62.98257	4.7
67.05498	0.2
70.81989	0.2
72.20048	0.2
72.52020	0.2
77.60818	0.2
78.45709	0.2
81.07081	0.4
84.00879	0.2
91.05511	0.2
95.04958	0.5
95.08633	0.2
98.23459	0.4
105.07039	0.4
107.08583	0.5
119.08588	0.3
121.10136	0.3
125.99711	0.2
126.61980	0.2
131.08577	0.3
133.10144	0.3
145.10046	0.2
159.11742	0.2
159.13150	0.2
165.09297	0.2
167.10596	0.2
171.11708	0.2
173.05515	0.2
181.12172	0.3
183.59682	0.2
217.08105	0.6
228.10992	0.3
229.11746	0.4
246.55113	0.2
262.54910	0.2
264.92807	0.2
293.17258	0.2
321.18011	4.3
339.19049	100.0
340.19385	2.9
357.18741	0.4
561.46381	0.3
597.37616	13.4
598.37921	1.0
615.38916	1.1
633.25403	0.3
633.36456	0.8
638.40613	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	634.303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76828	1.1
56.05040	1.5
56.96569	8.0
60.08165	7.9
67.05517	3.1
69.29920	7.4
71.07384	7.7
72.08168	4.2
77.61319	1.2
79.05481	2.2
81.07067	4.5
84.36586	1.3
86.09711	39.2
87.09181	1.6
91.05476	1.3
93.07065	1.7
95.08624	2.2
97.87778	1.2
97.96792	1.2
104.10747	100.0
105.06989	1.4
119.08570	2.0
128.98627	3.0
133.10141	1.3
136.93126	3.8
146.99712	3.3
154.94177	8.0
159.28374	1.4
162.94728	3.3
172.95238	6.4
180.95724	10.3
181.65677	1.3
190.96498	1.5
198.96796	25.0
210.96811	2.0
216.97806	11.7
221.98485	1.6
228.97911	3.6
244.02466	1.8
254.99374	2.9
280.65604	1.4
282.04193	2.6
283.02106	1.4
300.05386	2.4
317.17889	19.9
333.17404	1.8
335.18930	52.7
336.19257	2.3
353.20053	9.7
358.20541	3.5
437.17630	2.0
441.17188	5.7
453.17334	1.9
471.18265	12.2
489.19534	1.8
497.19797	8.8
500.24625	3.0
503.20740	3.2
515.20746	12.3
518.25562	22.5
556.27417	2.4
574.28174	50.4
575.28821	2.9
634.19727	1.3
634.29840	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	634.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01873	0.6
55.05507	9.0
57.03435	5.4
57.07075	17.2
59.04997	1.1
61.02927	1.3
61.46901	0.4
64.91407	0.3
67.05509	2.6
68.80650	0.4
69.03429	19.2
69.07066	94.2
70.07394	1.5
71.01624	0.5
73.02905	1.5
77.68549	0.4
81.03410	2.1
83.01337	0.5
83.08618	36.5
85.02902	27.1
87.04467	10.7
91.03949	1.1
97.02890	19.4
97.10162	2.0
99.04475	1.0
101.02323	0.5
103.03941	0.4
109.02866	1.5
111.04420	0.6
115.03929	16.4
121.30737	0.4
123.04400	0.6
125.13262	13.2
127.03898	4.6
133.04961	13.9
143.14307	100.0
144.14650	1.4
145.04955	7.2
150.07591	1.0
151.11284	0.5
159.62720	0.4
161.15366	54.1
162.15703	1.1
163.03868	1.1
163.06029	4.6
169.04915	0.9
177.05418	0.6
178.08549	0.9
241.06969	0.5
259.08112	2.0
266.94849	0.4
267.10904	0.4
277.09143	0.8
292.15387	0.6
293.19363	0.5
295.10144	3.0
295.67093	0.5
323.20612	4.3
325.11346	2.9
446.42252	0.4
472.21497	1.6
614.83221	0.4
635.27924	0.4
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
51.55915	0.1
53.06952	0.1
55.05496	0.3
57.03431	0.2
67.05487	0.6
67.81871	0.1
69.07062	0.2
75.51044	0.2
77.15539	0.1
79.05471	0.6
80.67803	0.2
81.03403	0.2
81.07058	0.7
83.04955	0.2
83.08604	0.2
91.05468	0.6
93.07022	0.7
95.04963	0.3
95.08601	0.4
98.22694	0.3
98.98457	2.2
105.07024	0.5
107.04939	0.2
107.08599	0.3
109.06474	0.2
109.10178	0.2
118.06541	1.6
119.08537	0.2
121.10130	0.2
124.99998	6.3
129.07036	0.2
131.08519	0.2
132.08072	0.6
133.06483	0.2
133.08788	0.2
133.10190	0.2
135.11652	0.2
143.07408	0.2
143.08467	0.2
144.08072	8.7
145.08672	0.2
146.09625	0.3
158.09634	3.1
159.10443	1.4
160.11211	0.7
172.11189	2.5
173.11977	0.4
174.12738	0.2
175.35780	0.2
176.14337	10.0
177.14592	0.2
181.12231	0.2
202.15894	87.1
203.16246	2.2
220.16962	9.2
221.17287	0.4
291.19452	0.2
300.13571	100.0
301.13898	2.2
505.35452	0.2
536.97113	0.2
616.37354	1.1
634.38776	4.2
635.38965	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	3.3
53.03944	5.5
55.01873	9.5
55.05514	32.8
57.03440	3.1
57.07069	2.0
62.56223	1.6
65.03941	5.2
67.05508	53.6
69.03424	6.8
69.07070	31.2
69.49245	3.4
69.49660	5.6
71.01348	2.0
71.04990	7.1
79.05494	63.5
81.03423	11.7
81.07056	81.4
83.04973	13.8
83.08629	18.8
85.06540	3.4
89.06030	3.1
91.05480	67.3
93.07048	62.2
95.04967	20.9
95.08606	31.3
97.02914	2.0
97.06509	15.8
97.10172	16.0
99.00874	1.8
99.08126	2.3
103.05453	2.8
105.04498	5.2
105.07030	57.7
107.04961	23.1
107.08599	37.5
109.02894	4.5
109.06538	14.8
109.10152	18.3
111.04383	3.7
111.08090	6.4
112.18594	1.6
113.09636	2.3
115.05459	4.7
117.07011	28.7
119.08574	54.5
121.06496	13.4
121.10147	19.7
123.04411	4.8
123.08072	12.5
123.11658	2.2
125.09639	11.4
128.06229	3.0
129.07005	10.8
131.07652	2.9
131.08569	34.6
133.06477	5.4
133.10132	35.4
135.08057	22.5
135.11696	22.8
137.09653	8.8
141.07059	3.5
142.07811	2.7
143.08582	11.2
144.09334	1.9
145.06482	5.0
145.08980	2.4
145.10126	31.8
147.08060	7.7
147.11668	18.6
149.09631	27.6
149.13232	7.4
151.11201	5.2
153.09137	3.9
153.12740	4.8
154.07730	2.2
155.08546	5.4
157.06563	1.9
157.10115	8.8
159.08118	9.4
159.11697	18.9
161.09604	9.3
161.13277	6.4
163.07553	13.6
163.11177	21.3
165.12714	3.8
169.10135	7.0
171.08119	2.3
171.11705	7.4
173.09615	6.0
173.13213	11.5
175.11211	5.5
175.14819	2.6
177.12782	12.1
179.10703	3.8
179.14331	4.1
181.12259	6.1
183.11719	5.7
185.09792	1.7
185.13280	4.1
187.11295	2.7
187.14877	2.9
189.09181	2.9
189.11186	7.3
189.12685	2.4
191.10687	5.5
191.14330	3.0
193.12238	46.6
195.13805	5.2
197.13280	6.5
199.11133	1.7
201.12767	2.3
205.12181	1.9
209.11734	3.8
211.14935	2.0
213.16519	2.6
215.17796	1.8
221.11766	4.7
227.12747	11.5
229.19586	4.9
235.16881	1.8
239.17955	9.8
243.17503	3.2
247.16853	2.0
247.20651	6.1
255.17374	2.6
257.19000	20.5
261.18588	6.7
271.16888	13.8
273.18463	8.4
275.20081	97.9
276.20132	1.8
277.21591	2.2
289.17975	100.0
290.18289	1.9
291.19553	12.5
291.22470	2.2
293.21152	4.8
307.18991	21.8
387.25076	2.5
465.30188	2.8
467.31415	1.9
469.29758	2.4
483.31000	7.7
487.30365	2.2
501.32111	3.6
563.37061	5.3
578.09753	2.2
581.38293	13.1
599.39075	3.4
634.40582	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	634.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01617	0.9
51.02350	0.7
52.53835	0.6
53.03945	2.5
54.52456	0.6
55.01873	7.0
55.05263	1.3
55.05509	14.1
57.03436	1.7
57.07059	1.1
65.03931	1.6
67.05505	23.0
67.11820	0.7
69.03422	2.9
69.06713	0.7
69.07071	8.8
69.47592	3.1
71.04984	2.9
71.08613	1.1
77.03931	0.8
77.38101	0.6
79.05495	24.2
79.05951	1.4
81.03425	3.7
81.07057	42.3
83.04978	5.7
83.08621	9.0
85.02935	1.0
85.06542	2.1
89.06032	1.4
91.05479	21.0
93.07047	19.9
95.04967	14.5
95.08607	11.5
97.02903	1.1
97.06525	3.5
97.10179	8.8
99.08119	0.8
99.65966	0.6
103.05470	0.9
105.03399	1.2
105.04539	1.1
105.07030	18.0
107.04966	9.8
107.07927	1.2
107.08598	14.8
109.06525	9.3
109.10152	10.6
111.04443	3.3
111.08072	3.1
115.05408	1.5
117.07027	11.3
119.04990	1.0
119.08583	19.6
121.06512	9.2
121.10145	8.4
123.08057	5.6
123.11722	1.4
125.09634	9.7
128.06238	1.3
129.07030	5.2
131.08562	12.7
133.06461	3.4
133.10126	14.3
135.08063	7.5
135.11702	5.4
137.09610	2.6
139.11176	1.4
143.08546	4.5
145.06438	1.7
145.10123	12.3
147.08052	9.9
147.11694	4.7
149.09612	8.5
149.13297	1.7
151.11191	5.4
153.09093	3.3
153.12737	1.2
155.08585	1.3
157.06459	0.8
157.10147	5.0
159.08055	2.3
159.11694	5.3
161.09653	7.0
161.13274	2.1
163.11180	7.3
165.09108	3.1
167.10725	0.8
169.10123	1.8
169.12209	1.6
171.11719	3.4
173.09615	2.3
173.13286	1.5
175.11188	3.8
177.09100	0.9
177.12717	1.1
179.10681	1.0
181.10143	0.7
181.12209	2.6
183.11659	0.9
185.09654	1.0
185.13248	2.7
187.11168	1.6
189.09576	1.0
189.11212	7.6
189.12773	1.7
191.10713	4.1
193.12218	0.9
195.11716	1.0
199.11194	0.7
201.12767	0.7
203.14339	1.0
205.12408	0.7
209.11752	2.1
213.12689	1.0
213.16414	0.8
221.11728	1.1
223.13287	4.5
227.12761	3.7
227.17943	1.6
231.17537	0.8
237.16333	1.9
245.18950	3.8
249.14804	2.5
249.18529	1.2
255.17438	5.5
259.20676	1.5
263.20114	3.0
273.18484	34.3
275.19952	5.6
277.21707	1.0
289.17957	1.5
291.19547	100.0
292.19910	3.1
293.21121	2.7
307.18933	0.8
309.20596	4.6
316.63446	0.7
487.30447	1.7
581.38379	1.9
599.39020	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	634.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22013	0.4
53.03932	1.5
55.01870	4.5
55.05508	14.7
57.03431	1.5
57.07073	0.4
59.04989	0.5
59.18938	0.3
65.03937	1.1
67.05499	13.4
68.19031	0.4
69.03415	2.6
69.07066	8.8
70.50207	0.4
70.67606	0.6
71.04975	1.5
74.61289	0.3
76.97345	0.3
77.03925	0.4
79.05489	18.0
81.03425	2.9
81.07052	29.8
82.98570	0.3
83.04978	4.4
83.08612	7.4
85.02896	0.7
85.06541	1.1
87.04472	0.6
89.06020	0.7
91.05476	13.7
92.94955	0.4
93.07039	12.8
95.01324	0.5
95.04961	11.4
95.08604	6.8
97.02876	1.1
97.06525	2.2
97.10162	9.9
99.08057	0.7
103.05476	0.9
105.03361	0.5
105.04521	1.0
105.07029	8.8
107.04958	6.6
107.08589	9.0
108.34049	0.3
109.02822	0.4
109.06518	5.4
109.10162	3.4
111.04449	2.8
111.08065	2.1
115.05460	1.2
116.06202	0.6
117.06197	0.5
117.07012	7.2
119.04930	1.1
119.06122	0.4
119.08573	13.7
121.06505	5.9
121.10145	5.3
123.04449	0.5
123.08052	4.9
123.11627	0.5
125.06030	0.4
125.09631	6.9
125.89445	0.4
128.06221	0.9
129.06978	3.7
130.07787	0.8
131.04901	0.5
131.08565	7.4
133.06467	2.4
133.08600	0.7
133.10124	4.4
134.07187	0.5
135.08060	3.9
135.11690	3.1
137.06021	0.4
137.09608	1.8
139.11176	0.6
141.06961	0.4
142.07755	0.8
143.08553	4.2
145.06470	1.6
145.10110	8.6
147.08043	8.6
147.11655	2.6
149.09618	5.1
149.13220	0.7
153.09096	2.5
153.12703	1.3
155.08554	0.8
157.10115	2.7
159.08080	1.4
159.11703	3.2
161.09621	4.4
161.13252	0.8
162.10332	0.5
163.07648	0.4
163.11159	5.5
165.09093	3.1
167.08449	0.4
169.10091	1.2
171.08054	0.4
171.10274	0.7
171.11691	2.5
173.09563	1.8
173.13254	0.7
175.11156	1.6
175.14716	0.4
177.09094	0.6
177.12723	1.1
181.10025	0.6
181.12225	2.6
183.11635	0.6
185.09679	0.4
185.13242	1.4
187.11188	0.6
189.11227	7.2
189.12778	1.1
191.10658	2.7
193.12242	2.3
195.11647	0.8
197.13242	0.4
199.11182	0.7
199.14771	0.4
203.14363	0.7
205.12241	1.3
209.11717	1.0
213.12762	0.9
213.16420	0.7
219.49811	0.4
221.11743	0.7
223.13255	5.6
227.12805	2.8
227.17953	1.2
231.13844	0.5
231.17542	0.5
237.16466	0.6
245.18964	1.6
249.14861	3.8
249.18364	0.7
255.17450	2.5
257.19101	0.7
261.18561	0.5
263.20065	0.7
271.17041	0.4
273.18466	22.4
274.18744	0.5
275.20004	2.8
289.17969	3.0
291.19522	100.0
292.19928	2.2
293.21011	1.2
307.19080	0.8
309.20593	3.2
313.21478	0.4
409.67303	0.4
523.81494	0.4
563.37305	0.9
581.38416	6.3
582.37445	0.4
599.39490	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	634.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
55.01869	9.8
55.05513	30.8
57.03435	4.5
59.04993	1.8
65.03926	3.3
67.05504	51.4
69.03428	6.4
69.07066	29.5
71.04995	4.9
71.08604	2.4
79.05495	52.6
81.03417	11.4
81.07057	72.6
83.04982	11.7
83.08615	15.5
83.09050	2.3
85.06550	3.8
91.05478	55.0
93.07045	57.0
95.04967	20.8
95.08609	31.6
97.06509	12.5
97.10173	14.1
103.05444	3.3
105.04530	3.0
105.07028	46.8
107.04954	18.9
107.08596	33.2
109.02871	5.0
109.06520	13.0
109.10160	9.7
111.04446	5.4
111.08085	4.5
115.05466	2.7
117.07030	26.8
119.04948	2.2
119.08578	38.3
121.02858	2.3
121.06496	13.3
121.10142	16.2
123.04433	3.4
123.08064	11.4
123.11708	3.4
125.09644	8.6
128.06218	3.4
129.07019	12.1
131.08549	26.6
131.09444	1.7
133.06497	3.3
133.10133	31.6
135.08047	18.6
135.11673	16.6
137.09645	9.0
141.06998	3.2
143.08553	11.9
145.06508	5.6
145.10120	23.9
146.65314	1.6
147.08025	8.1
147.11697	12.0
149.09608	19.6
149.13219	10.2
151.11211	4.7
153.09036	1.8
153.12753	5.3
155.08537	5.0
157.10115	8.0
159.08067	9.9
159.11681	14.5
161.09613	14.9
161.13266	4.0
163.07533	12.8
163.11179	18.1
165.09138	2.2
165.12727	2.0
169.10147	5.6
171.11713	7.2
173.09669	5.2
173.13266	6.3
175.11171	5.7
177.12726	10.1
181.12244	4.8
183.11644	4.5
185.13371	2.8
187.11217	1.8
189.09262	2.3
189.11252	7.5
191.10704	4.0
191.14352	2.1
193.12216	35.8
195.12158	1.8
195.13741	9.2
197.13312	4.2
200.72928	1.9
209.11687	2.4
209.13504	2.0
213.16467	2.1
221.11784	3.8
223.13287	2.9
227.12766	16.9
228.80042	1.7
229.19382	3.3
239.17964	5.2
243.17499	4.1
245.19012	2.0
247.20615	4.8
253.15781	2.1
254.49294	1.9
257.18961	13.5
261.18527	4.5
271.16965	10.9
273.18539	11.1
275.20059	61.5
275.22925	3.6
277.21603	2.7
289.17969	100.0
290.18390	2.5
291.19556	16.7
291.22656	2.4
293.21060	7.5
307.19040	21.8
309.20776	1.6
369.24359	2.0
469.29239	3.0
483.30945	4.7
501.32208	3.2
563.36865	3.7
581.38440	14.2
599.39148	3.4
634.40247	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	634.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34079	1.9
51.43975	2.2
55.01868	10.3
55.05511	36.5
60.05650	2.1
65.03931	3.5
67.05502	32.2
69.03410	4.5
69.07059	14.1
71.04984	5.4
71.08615	2.9
79.05486	39.8
81.03409	6.1
81.07054	67.4
83.04971	8.7
83.08633	16.5
89.06009	2.9
90.39165	2.3
91.05476	40.2
93.07041	40.5
95.04965	23.1
95.08608	20.2
97.06508	6.8
97.10176	28.3
105.04504	2.7
105.07032	38.8
107.04955	8.7
107.08594	32.9
109.06523	11.0
109.10166	11.4
111.04441	8.1
111.08078	8.6
115.05457	3.9
117.07005	16.7
119.08582	37.8
121.06506	9.5
121.10134	17.0
123.08077	11.0
125.09643	21.2
129.07002	8.4
131.08575	18.9
133.06416	2.3
133.10126	19.3
135.08083	12.0
135.11708	11.1
137.09624	5.1
139.11125	2.6
141.06970	2.2
143.08560	11.8
145.10141	20.3
147.08044	13.3
147.11696	15.0
149.09659	10.3
149.13237	2.7
153.09106	6.9
153.12759	3.7
155.08548	3.1
157.10123	8.0
159.08031	3.9
159.11687	14.2
161.09657	7.9
161.13255	6.4
163.01189	2.2
163.11191	16.0
165.09076	5.0
167.08569	3.3
169.10104	3.1
171.11700	9.4
173.09660	3.4
173.13327	4.7
175.11063	3.0
181.12268	6.3
185.09529	2.8
185.13292	4.7
189.11226	20.3
189.12662	3.5
191.10698	7.9
193.12100	3.5
199.14890	2.7
209.06656	2.2
223.13368	7.3
227.12788	7.5
241.19514	8.9
245.19127	3.3
247.96790	2.3
249.15028	3.1
255.17514	2.5
257.18942	5.2
259.20590	24.1
261.18329	2.2
262.07672	2.5
273.18457	28.3
275.20087	19.6
277.21652	8.6
289.18024	9.1
291.19534	100.0
292.20007	3.9
293.21063	8.6
309.20593	6.8
333.64807	2.0
334.83591	2.2
377.39935	2.3
404.65738	2.9
413.30939	2.6
531.38300	5.2
549.39246	8.7
567.40472	10.6
634.37042	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	635.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
55.05508	1.9
57.03451	0.5
57.07072	1.0
59.04992	2.4
67.05502	1.6
69.03419	2.3
69.07066	11.2
71.04984	0.7
71.08628	1.1
73.06572	0.4
79.05492	1.5
81.03423	0.6
81.07050	5.2
83.04984	0.5
83.08629	1.6
85.02902	3.4
85.06544	0.9
85.10198	0.5
86.09725	0.6
86.67248	0.4
87.04451	0.9
91.05484	1.2
93.07040	2.4
95.04964	1.1
95.08601	4.6
97.02888	1.3
97.06551	0.6
97.10152	0.9
98.22598	0.8
99.04469	0.5
99.08122	0.4
103.05415	0.3
105.07029	1.3
107.04948	1.1
107.08573	1.8
109.02879	0.7
109.06545	0.6
109.10162	3.0
111.04515	0.4
111.08092	0.6
111.11721	5.5
115.03931	0.5
119.08584	1.2
120.08154	0.5
121.06496	1.0
121.10157	1.2
123.11668	1.9
124.07558	0.5
125.09624	0.9
127.03825	1.6
129.12775	2.4
131.08569	0.5
133.10178	0.7
135.08109	0.4
135.11740	0.8
135.41760	0.4
137.13295	0.9
143.10733	0.7
145.04979	1.0
145.06564	0.4
145.10194	0.6
147.04436	0.4
147.11664	1.1
149.06015	0.5
149.09709	0.5
149.13264	1.2
151.03929	0.9
153.01820	2.9
154.02176	0.4
157.10150	0.7
159.11780	0.7
163.03902	1.2
163.14882	0.6
165.05403	0.4
165.09169	1.1
165.16435	0.4
165.82736	0.4
167.14326	1.1
171.11678	0.5
173.13338	0.5
175.14813	0.5
177.05479	0.8
181.04987	0.4
203.05371	0.4
209.08128	0.4
245.15063	0.4
259.09619	1.0
275.07278	3.9
289.09033	0.5
293.28506	0.9
317.08401	5.0
335.09470	41.8
336.09781	1.0
370.62311	0.4
421.13120	7.3
438.12814	1.5
448.14493	0.4
531.24219	7.8
532.24469	0.4
627.75592	0.4
635.28741	100.0
636.29120	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	635.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.1
53.03942	2.9
53.23144	1.0
55.01867	5.2
55.05513	14.4
57.03438	2.3
57.07077	1.5
65.03935	2.6
67.05503	22.0
69.03436	8.6
69.07066	6.9
70.07385	1.1
71.01359	3.0
71.04996	2.3
71.08617	3.1
71.45029	1.3
79.05497	32.5
81.03421	16.6
81.07061	25.6
82.07381	1.7
83.04987	6.0
83.08621	5.9
85.02914	3.6
85.71781	1.4
89.06033	3.1
91.05482	21.3
92.05803	1.3
93.07040	21.7
94.07420	1.2
95.01320	2.9
95.04971	45.0
95.08601	13.2
97.02881	8.8
97.06517	3.3
97.10172	6.9
103.05457	7.2
105.03414	1.3
105.04535	4.4
105.07022	15.8
106.07351	2.2
107.04954	98.5
107.08595	15.1
107.09264	1.8
108.05309	1.5
109.02879	40.8
109.06520	6.8
109.10149	7.0
111.04459	3.2
111.08059	1.8
117.07021	6.7
119.08589	12.3
120.08931	1.5
121.06508	13.7
121.10127	6.4
123.04440	9.9
123.08055	1.4
123.11722	2.0
125.02360	22.6
125.06007	3.6
125.09594	5.6
127.03932	3.0
129.05473	1.6
129.07016	4.3
131.04919	5.1
131.08554	8.9
133.02849	5.1
133.06482	2.6
133.08611	2.8
133.10088	7.5
135.04433	3.4
135.08081	3.2
135.11691	3.5
137.09590	1.2
141.07014	2.4
143.08588	3.9
145.06490	2.3
145.10117	9.7
147.08049	2.4
147.11728	5.3
148.12079	1.1
149.05978	18.3
149.09621	3.0
149.13249	2.4
151.03903	100.0
152.04286	1.2
153.05498	14.9
153.09123	1.3
153.15321	1.0
153.16692	1.2
155.08545	3.1
157.10118	3.1
159.08122	2.0
159.11702	5.0
161.09651	2.7
161.13271	4.0
163.11163	3.2
163.14803	2.1
164.11510	1.3
167.08589	1.7
169.10127	3.2
171.08073	1.7
171.11736	3.2
173.09717	1.4
173.13274	3.0
175.11189	1.7
177.05464	33.9
177.12769	1.2
181.12302	1.2
183.11751	2.8
185.13222	2.6
187.11246	1.8
189.11224	3.3
190.11388	1.2
190.44501	1.1
193.12241	14.3
194.12561	5.0
195.06520	50.8
199.14775	1.5
209.13374	1.3
213.05614	2.3
213.07579	30.1
219.29364	1.1
235.09622	1.1
257.19028	2.1
261.22092	3.2
261.38281	1.0
271.16913	2.6
273.18536	2.3
275.20105	8.1
276.20395	3.4
277.21759	2.2
289.18005	11.0
290.18250	8.4
291.19647	1.4
291.23166	2.4
292.19733	1.3
292.37698	1.1
293.21228	1.7
300.13504	1.8
301.14035	1.3
307.19073	4.0
308.19305	3.4
315.23288	1.4
351.23004	1.8
369.24240	3.7
387.25360	4.0
405.26251	2.8
423.27020	1.7
515.32739	1.4
582.38580	1.8
635.34924	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	636.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.2
55.05513	1.0
55.30821	0.2
57.03439	0.4
67.05226	0.2
67.05508	2.1
69.07068	1.3
71.04980	0.5
79.05487	1.7
79.46853	0.2
80.45975	0.2
81.03397	0.3
81.07045	2.5
83.04976	0.4
83.08604	0.9
91.05480	1.8
93.07040	2.2
95.04951	1.3
95.08607	1.6
95.73396	0.2
97.06534	2.3
97.10190	0.3
98.23490	0.4
98.97899	0.3
98.98466	2.4
99.00254	0.2
105.07008	1.6
107.04948	0.6
107.08591	1.1
109.06503	0.6
109.10136	0.5
111.08077	0.3
111.39856	0.2
115.07566	0.3
117.07043	0.5
118.06534	1.1
119.08562	1.5
121.06513	0.5
121.10126	0.8
123.08001	0.3
125.00002	6.5
125.09620	0.2
129.06995	0.3
130.06488	0.2
131.08554	0.7
132.08095	0.4
133.06534	0.2
133.08896	0.2
133.10124	1.2
135.08025	0.4
135.11687	0.5
143.08574	0.3
144.08083	8.3
145.08987	0.3
145.10110	0.9
146.09633	0.4
147.11685	0.7
149.09602	0.8
149.13292	0.2
157.10069	0.3
158.09639	3.0
159.10396	1.5
159.11722	0.6
160.11182	0.7
161.09642	0.3
163.11201	0.9
165.09003	0.2
165.12616	0.3
171.11722	0.2
172.11220	2.1
173.11975	0.3
174.12837	0.2
175.11119	0.2
176.14337	8.9
177.12801	0.2
186.12712	0.2
189.11093	0.3
197.13272	0.2
202.15897	83.0
203.16283	2.2
206.72658	0.2
220.16953	8.7
221.17264	0.3
223.13283	0.3
234.77905	0.2
245.19063	0.2
255.17285	0.2
257.19162	0.4
259.39059	0.2
273.18445	0.9
275.20062	2.3
277.21600	0.4
291.19543	1.9
293.21072	0.8
300.13574	100.0
301.13950	2.5
302.07962	0.3
309.20761	0.2
321.90085	0.2
388.12842	0.2
525.75488	0.2
590.74664	0.2
618.39081	1.2
636.40265	4.9
637.26288	1.8
637.38135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83461	0.8
53.03945	2.0
54.64654	0.8
55.01873	7.3
55.05510	24.7
57.03447	3.2
57.07104	0.8
63.86712	0.7
65.03931	1.9
65.45760	0.7
67.05502	23.4
69.03406	4.2
69.07062	11.4
70.73135	1.1
71.05002	2.1
79.05490	31.6
81.03413	4.3
81.07054	53.3
83.04987	6.1
83.08614	13.8
85.02900	1.3
85.06560	0.8
91.05473	24.6
93.07043	23.7
93.07600	1.4
94.04865	0.8
95.04967	14.1
95.05520	1.1
95.08606	12.7
97.06535	4.6
97.10162	13.4
99.08121	1.4
105.04516	1.5
105.07026	20.4
107.04943	8.6
107.08593	15.1
107.09266	1.3
109.06511	9.0
109.10143	5.8
110.09846	0.8
111.04440	5.1
111.08110	3.5
115.05457	1.6
116.06258	0.8
117.07008	14.2
119.04983	1.9
119.05968	0.9
119.08571	23.7
121.06512	6.7
121.10146	10.7
123.08061	7.0
123.11725	1.3
125.09631	12.0
125.10498	1.0
128.06236	1.3
129.06989	5.9
131.08559	14.1
133.06519	2.5
133.10124	10.3
135.08031	6.9
135.11679	7.3
137.09674	1.7
139.11179	1.2
141.07034	2.3
143.08589	5.5
143.10762	0.9
145.06508	1.3
145.10120	14.2
147.08051	11.4
147.11668	5.0
149.09619	9.8
149.13344	2.3
151.11186	0.9
153.09074	4.6
153.12791	2.5
154.07764	1.0
155.08603	1.7
157.10136	6.4
159.08057	1.5
159.11676	5.9
161.09599	6.1
161.13313	2.2
163.11176	11.1
165.09059	4.6
165.12769	1.3
169.10182	1.7
171.10236	1.9
171.11748	2.9
173.09679	3.1
173.13326	2.5
175.11198	2.9
177.12730	2.2
181.12267	3.2
183.11751	2.3
185.09627	1.0
185.13345	2.3
187.11192	1.5
189.11203	9.2
189.12636	1.1
191.10681	5.3
193.12276	0.9
195.11737	1.2
195.13803	1.4
197.13425	1.7
199.11169	0.9
203.14412	1.1
205.12286	1.4
209.11664	1.6
209.13416	1.1
210.04909	0.9
213.16476	1.0
223.13261	4.0
227.12749	5.0
227.17928	1.7
237.16541	1.1
239.18137	1.2
245.19052	2.9
249.14909	3.3
249.18578	1.1
255.17409	4.0
257.18909	4.3
263.20129	1.1
273.18478	27.7
274.19077	1.2
275.20062	18.7
291.19528	100.0
292.19958	3.2
293.21124	0.9
309.20581	4.1
467.31573	1.1
471.31104	1.2
485.32520	3.0
503.33517	0.9
547.37915	1.1
565.38708	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.7
53.03951	2.2
55.01876	6.8
55.05258	1.3
55.05513	17.8
55.05775	1.2
57.03433	1.8
57.07077	1.0
59.05019	0.7
59.83609	0.7
65.03944	1.7
66.52315	0.6
67.05508	18.3
69.03424	2.6
69.07069	8.5
71.04994	2.0
79.05046	1.5
79.05496	24.7
81.03444	3.4
81.07060	45.0
83.04987	4.6
83.08622	10.7
85.02912	1.2
85.06554	1.0
91.05482	18.9
93.07050	18.6
95.04973	13.5
95.08616	10.5
97.06538	4.9
97.10165	13.3
99.04477	0.9
99.08073	1.4
103.05460	1.2
105.04504	1.0
105.07028	15.8
107.04955	6.8
107.08598	12.3
109.06522	6.1
109.10149	6.2
111.04447	5.1
111.08072	3.2
111.86813	0.7
115.05479	1.6
117.07021	10.0
119.04969	0.9
119.08585	18.0
121.06514	4.7
121.10151	7.8
123.04419	0.9
123.08067	5.6
123.11731	1.3
125.09632	10.2
129.07021	5.2
131.08560	9.6
131.53296	0.6
133.06500	1.8
133.10144	10.1
135.08064	6.6
135.11684	5.7
137.09641	1.8
139.11198	1.1
141.07095	0.9
143.08574	3.3
145.06476	1.2
145.10124	12.2
147.08061	7.6
147.11725	4.6
149.09637	9.3
149.13264	2.2
151.11185	1.5
153.09093	4.2
153.12744	1.5
155.06161	0.6
155.08565	1.8
157.06480	0.8
157.10117	4.2
159.08052	1.9
159.11740	5.1
161.09616	5.0
161.13252	1.4
163.11189	8.5
165.09155	4.0
169.10176	1.7
171.10225	1.4
171.11713	3.0
173.09642	1.6
173.11765	1.0
173.13269	2.2
175.11200	1.6
177.12735	2.4
179.14410	0.8
181.12230	3.3
183.11676	1.2
185.09718	0.9
185.13251	1.6
187.11162	1.1
189.09645	1.2
189.11238	10.0
189.12791	1.5
191.10664	3.9
193.12300	1.0
195.11768	1.4
195.13858	1.8
199.11191	0.7
203.14366	0.8
205.12350	1.2
209.11691	2.0
223.13284	5.4
227.12785	4.5
227.17966	1.2
237.16487	0.8
237.18605	0.9
245.19028	2.5
247.20592	1.5
249.14771	3.1
255.17403	3.8
257.19052	3.7
263.20068	0.8
273.18509	28.0
274.18845	1.3
275.20071	13.2
291.19556	100.0
292.19986	2.1
293.20956	1.2
302.07892	1.3
309.20590	5.8
315.57266	0.7
358.24918	0.7
467.31345	0.9
471.30774	1.0
485.32571	1.9
589.48987	0.7
600.87903	0.7
601.41461	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
54.20865	0.8
55.01871	5.7
55.05513	18.4
57.03442	1.5
57.07059	1.3
59.54739	0.9
65.03929	1.5
65.77253	0.9
67.05508	17.1
69.03426	2.8
69.07070	9.7
69.22449	5.8
71.04987	2.6
77.58465	0.8
79.05494	25.5
81.03410	3.0
81.07060	35.8
83.05001	4.8
83.08174	1.2
83.08624	9.9
91.05484	15.0
92.05789	0.9
93.07041	16.9
95.04980	13.4
95.08604	9.4
97.06540	3.4
97.10168	12.0
105.07037	15.4
107.04946	8.5
107.08598	16.4
109.06510	8.2
109.10161	4.4
111.04442	3.4
111.08117	1.8
115.05470	1.8
117.07016	10.4
119.08579	21.8
121.06499	7.1
121.10134	9.0
123.08062	4.3
125.09634	10.7
128.06345	1.1
129.07011	3.4
130.07788	1.2
131.08569	9.4
133.06497	2.3
133.10143	8.5
135.08041	6.2
135.11678	3.9
137.09636	2.5
141.07004	1.0
142.07709	1.2
143.08557	5.0
145.06468	2.0
145.10127	14.2
147.08051	11.6
147.11673	5.3
149.09615	8.9
153.09114	2.9
153.12828	1.4
155.08522	1.4
157.10107	5.8
159.08099	1.7
159.11679	6.4
161.09616	6.0
161.13316	1.3
163.11183	7.6
165.09111	1.7
167.08600	0.9
169.10150	2.1
171.11658	3.9
173.09653	3.5
173.13275	1.6
175.11224	2.0
177.12752	1.8
181.10164	0.9
181.12257	2.8
184.67703	1.0
185.13287	2.1
187.11066	1.0
189.11224	9.6
191.10632	4.4
195.11665	1.1
199.11276	1.2
203.14221	1.2
211.14804	1.3
223.13287	3.5
224.23170	0.8
227.12820	3.8
227.18005	1.5
239.18127	1.5
245.19017	3.3
249.14835	2.5
255.17439	3.8
257.19000	2.0
262.62927	1.0
268.76605	0.9
273.18478	27.2
274.18875	1.3
275.20068	26.0
291.19540	100.0
292.19968	3.5
293.21094	2.8
309.20584	5.0
360.70480	0.9
397.27417	1.3
402.73962	0.9
431.52951	0.9
461.29044	2.2
547.37378	1.3
565.38611	3.0
583.39600	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	636.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.5
55.01857	2.1
55.05510	9.7
56.82113	0.5
57.03414	1.6
65.03933	0.6
67.05166	0.9
67.05503	12.9
69.03416	0.7
69.06711	0.7
69.07066	11.6
69.89970	1.1
69.90316	1.0
71.04979	3.3
72.66168	0.5
73.02904	1.0
77.03891	0.6
79.05489	14.0
81.03416	3.9
81.07055	14.5
83.04987	2.8
83.08612	8.3
84.76566	0.5
85.06522	1.2
91.05481	11.7
93.07041	11.7
94.83995	0.5
95.04412	0.8
95.04965	10.2
95.08605	9.1
97.06527	32.5
97.10146	1.8
98.98445	1.7
99.08089	0.9
105.04479	1.3
105.06348	0.9
105.07023	11.9
107.04959	5.5
107.07924	0.7
107.08594	8.4
109.06509	3.9
109.10150	4.1
111.08068	2.9
115.07574	5.9
117.07002	4.5
118.06511	0.9
119.08578	8.6
121.06509	2.6
121.10146	6.3
123.08065	1.9
123.11725	1.1
124.99992	5.7
125.09622	2.2
129.06989	1.7
131.08545	5.3
132.08066	0.5
133.06488	0.7
133.10130	8.9
135.08102	2.6
135.11653	2.6
137.09598	2.0
139.11157	0.6
141.06972	0.9
143.08549	2.3
144.08067	6.6
145.06377	0.8
145.10114	7.5
147.08025	1.6
147.11665	4.7
149.09613	7.7
149.13243	1.6
151.11153	2.0
153.09146	0.8
155.08592	1.8
157.10124	2.2
158.09598	2.6
159.07979	0.6
159.10391	1.2
159.11687	3.8
161.09612	1.4
161.13229	1.5
163.11180	9.0
165.09094	0.5
165.12723	2.0
167.10641	0.5
169.10112	2.0
171.11658	2.1
172.11160	2.7
173.09621	2.2
173.13277	1.6
175.11166	1.7
176.14346	8.2
177.12750	1.7
183.11662	1.1
185.13226	0.9
187.11162	1.1
189.11212	0.9
189.12709	0.8
191.10609	0.7
195.13817	1.2
197.13171	0.8
199.14825	0.9
201.12825	0.9
202.15898	81.5
203.16185	2.6
205.12210	0.6
217.15897	1.0
220.16931	10.0
221.15392	0.8
221.17363	0.7
223.13297	5.6
229.19415	1.8
239.17961	3.5
245.19154	1.1
247.20555	0.9
249.14842	0.9
251.16298	1.0
255.17468	0.8
257.19022	3.3
263.20050	0.5
273.18451	5.0
275.20059	27.2
289.17990	0.9
291.19528	6.8
293.21088	13.9
300.13577	100.0
301.13977	4.2
309.20480	0.6
517.27417	0.5
583.17480	0.6
618.38831	0.8
636.40149	4.0
637.26288	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01867	10.6
55.05514	29.0
57.03434	3.6
57.07067	1.8
59.04996	1.3
59.32402	1.0
60.38446	0.9
65.03932	2.9
67.05160	2.3
67.05505	34.2
69.03423	5.2
69.07069	13.9
70.83041	1.1
71.04996	3.3
72.90875	1.1
77.03938	1.3
78.58339	1.2
79.05492	41.3
81.03411	5.9
81.07056	61.6
83.04985	7.7
83.08616	15.2
85.02888	1.3
85.06517	2.4
91.05482	30.2
93.07048	30.0
95.04967	20.5
95.08598	16.5
97.06543	6.1
97.10164	17.8
99.04439	1.3
103.05444	2.7
105.04523	1.7
105.07027	24.6
107.04961	10.9
107.08599	18.3
109.06509	9.1
109.10156	11.0
111.04447	6.2
111.08080	6.0
115.05402	2.4
116.07134	1.3
117.07025	16.2
119.04890	1.3
119.08580	31.0
120.05053	1.1
121.06489	9.5
121.10141	11.4
121.32632	1.1
123.04428	1.8
123.08075	7.6
125.09652	15.5
128.06219	2.4
129.06989	8.9
131.08566	16.9
133.06506	3.7
133.10117	15.7
134.09607	1.5
135.08055	6.4
135.11694	6.4
137.09602	4.6
141.06973	2.3
143.08574	6.7
145.06488	3.2
145.10106	18.9
147.08046	14.0
147.11700	6.0
149.09665	11.5
149.13255	1.5
153.09146	6.3
153.12730	3.1
155.08601	1.6
157.10124	5.7
159.08063	2.8
159.11691	9.9
161.09610	8.4
161.13222	2.3
163.11201	11.5
165.09096	4.9
169.10194	3.8
171.10246	1.5
171.11685	4.6
173.09659	3.1
173.11832	1.3
173.13271	2.9
175.11191	3.4
177.12759	1.9
181.10112	1.6
181.12204	4.0
183.11665	2.4
185.09642	1.5
185.13269	2.9
187.11243	2.7
189.11195	16.3
189.12772	1.9
191.10655	4.4
191.14264	1.3
193.12303	1.3
195.11649	1.3
197.13387	1.2
199.14867	1.5
202.16025	1.5
205.12328	1.3
209.11559	1.5
213.16449	1.3
217.15923	2.6
223.13286	5.8
227.12790	4.8
227.17751	1.7
229.19662	1.6
232.07376	2.2
239.17902	2.1
242.96204	1.3
245.19044	3.0
249.14845	3.6
255.17377	4.8
257.19052	7.0
273.18484	33.2
275.20068	30.5
291.19537	100.0
292.19824	4.1
293.21036	4.8
302.15033	4.3
309.20569	5.4
324.80334	1.3
520.36298	1.5
565.38812	2.0
583.39136	3.2
595.24683	1.4
636.40985	5.4
637.26337	7.4
637.35797	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	637.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.9
63.21926	0.6
64.29958	0.7
67.05494	1.7
69.07078	1.3
69.68078	2.1
79.05515	2.2
81.07069	2.5
81.29367	0.7
91.05502	1.9
93.07071	1.8
95.04985	1.5
95.08606	1.5
105.07020	1.5
107.08637	1.9
111.08064	0.7
121.06530	0.9
125.14496	0.6
133.10133	0.9
141.23853	0.6
141.94429	0.7
147.11862	0.9
175.11252	0.7
275.20090	1.2
277.21759	0.9
291.19626	1.4
293.21240	1.6
363.16367	0.9
375.16528	0.6
377.17670	1.8
378.18521	1.1
386.15430	1.2
387.16287	1.2
388.17050	0.9
389.17990	1.6
390.18988	1.0
391.19272	3.8
392.20029	2.7
393.20712	3.9
399.16315	1.7
400.16916	3.1
401.17828	2.9
402.18771	0.9
403.19458	1.3
405.20859	2.0
407.22235	6.2
408.23511	0.8
413.17813	2.0
414.18500	3.3
415.19379	6.7
416.20313	1.4
417.21326	1.5
419.22751	1.7
420.19553	1.0
421.20004	3.9
425.17419	0.9
428.20074	2.6
429.21515	6.2
430.21674	2.3
431.18729	2.0
433.20770	1.3
434.21417	1.2
435.21786	4.0
436.22485	1.4
441.17267	1.4
442.17902	1.4
443.22495	3.1
444.18634	3.4
445.20248	2.6
446.21280	1.1
447.18112	1.9
448.19186	1.1
457.20551	5.1
458.21109	2.5
459.17773	1.3
460.18683	1.4
461.19818	2.6
462.20825	0.9
469.16788	0.8
471.22501	4.1
472.23386	3.2
473.19333	3.3
474.20609	2.3
475.17734	0.7
475.21741	0.7
484.18616	1.1
485.19882	2.6
486.20459	4.2
487.21390	1.3
488.22678	1.2
489.24191	3.3
490.19510	4.0
491.20810	1.8
499.21384	8.1
500.22037	2.6
501.22531	0.8
503.25241	1.7
513.19263	4.0
514.20215	1.0
516.21558	1.3
517.22455	11.3
518.22461	2.1
519.20520	1.1
521.25549	1.7
522.43060	0.7
527.21130	3.0
528.21771	1.1
529.22284	1.5
531.24561	8.4
543.23914	1.1
545.21838	1.5
549.24927	5.6
559.23407	53.7
560.23792	2.7
577.24487	3.2
578.25134	2.5
587.22858	9.2
591.26318	2.8
605.23975	6.4
609.27686	0.9
619.25531	59.0
620.26019	3.6
637.26624	100.0
637.36798	7.9
638.26837	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	637.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05369	0.2
69.08825	0.9
69.09241	0.6
73.89163	0.2
91.05409	0.3
108.09089	0.2
111.60189	0.2
116.60387	0.2
145.09917	0.2
182.09587	0.3
183.09062	0.3
207.09105	0.3
209.10553	0.4
220.09720	0.2
221.10544	0.3
233.10567	0.3
235.12270	0.2
237.10161	0.2
247.12317	0.2
249.10165	0.3
280.26453	0.2
326.12759	0.3
361.15659	0.3
363.16385	0.4
373.15274	0.3
374.16223	0.7
375.16867	0.5
376.17538	0.4
377.17551	0.8
378.18185	0.9
384.14957	0.3
385.14679	0.7
386.15427	0.9
387.16086	0.7
388.17487	0.8
389.17871	0.7
390.18820	0.7
391.19202	1.3
392.19968	1.2
393.20767	1.8
397.14536	0.3
398.16006	0.5
399.16074	2.3
400.16953	2.4
401.17816	3.2
402.18930	0.5
403.19489	0.4
404.20325	0.3
405.16208	0.4
405.20523	0.9
406.21362	0.6
407.22354	2.4
411.16571	0.3
412.17325	0.7
413.17822	2.0
414.13898	0.3
414.18481	4.1
415.19418	7.7
416.20703	1.2
417.21167	1.2
419.18396	0.5
421.20099	2.3
425.17847	1.2
426.18665	0.5
427.14432	0.4
427.20041	1.4
428.20331	3.2
429.16037	1.0
429.21375	7.0
430.21954	2.6
431.18542	0.8
433.16168	0.4
434.20898	0.5
435.21390	1.5
436.22418	0.7
438.17731	0.3
439.19031	0.9
440.19623	0.3
441.16595	1.3
442.17059	1.2
443.18307	3.3
443.22614	3.2
444.18646	3.9
445.20389	2.0
446.21609	0.3
447.17456	0.5
455.19269	1.1
456.19589	1.6
457.20453	5.1
458.21158	4.3
459.17944	0.8
459.22610	0.4
460.18478	0.4
461.19360	0.5
462.19684	0.3
463.21271	0.4
469.16077	0.6
470.16956	0.5
471.22495	5.0
472.23276	4.1
473.19495	3.9
474.20361	1.0
475.17133	0.7
481.20248	0.3
483.17587	0.4
484.18915	0.8
485.19916	2.1
486.20499	5.1
487.21387	1.9
488.22314	0.9
489.23495	1.0
490.19778	1.6
491.20639	0.5
498.20483	0.3
499.21350	7.6
500.22931	2.4
501.19553	0.5
502.20010	0.7
503.24905	2.6
513.18927	1.0
514.20105	1.0
516.21307	1.0
517.22308	2.9
518.22845	0.4
521.25269	0.6
527.20880	2.1
528.21552	0.8
530.22986	0.4
531.23962	8.8
532.24207	0.4
541.22174	0.5
543.24060	1.2
545.21844	0.8
549.24927	0.9
559.23358	75.7
560.23657	3.7
577.24335	0.4
587.22852	13.0
588.23401	0.8
605.23743	0.8
619.25476	100.0
620.25787	5.2
637.26495	13.0
638.27008	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	7.9
67.05496	9.4
69.07074	7.9
69.16799	11.9
71.04983	1.8
76.36104	1.6
79.05492	12.9
80.05826	2.8
81.03428	2.5
81.07050	16.5
83.08654	5.2
91.05495	8.7
93.07046	10.3
95.04977	8.6
95.08630	6.2
97.06527	10.7
97.10208	4.3
105.07034	12.4
107.04980	3.2
107.08629	6.7
108.08959	1.7
109.06509	2.2
109.10178	2.2
115.07638	1.7
117.06993	2.3
119.08614	6.1
120.08870	2.0
121.06510	1.8
121.10164	3.8
123.08080	2.2
125.00037	2.8
125.09625	2.4
131.08582	4.8
133.10146	6.0
135.08057	3.4
144.08105	6.8
145.10136	6.0
147.08067	2.6
147.11644	4.4
149.09650	5.2
157.10121	1.9
158.09697	2.2
159.10497	1.8
161.09744	2.2
163.11278	4.9
176.14447	8.2
177.14667	3.4
189.11237	3.7
193.12215	2.2
202.15897	48.0
203.16251	12.3
220.16965	27.9
221.17236	9.6
223.13326	4.1
273.18506	3.6
275.20032	9.3
276.20554	2.8
277.17014	2.0
277.21664	2.3
291.19583	16.3
292.20038	4.3
293.21201	4.7
300.13580	43.6
301.13919	17.7
401.17679	4.0
413.17801	2.2
414.18298	2.4
415.19363	5.5
419.18652	4.1
428.20016	4.4
429.20715	6.6
430.21854	3.3
443.22968	4.7
444.19421	3.2
445.19684	3.8
446.21112	3.1
447.18274	4.0
457.20148	5.0
458.21140	4.2
459.18124	2.6
461.19629	2.9
462.20792	2.8
470.17599	2.1
471.22079	9.4
473.19513	4.3
475.17166	2.4
486.20175	4.2
489.23160	5.6
490.19958	9.2
491.20853	3.1
499.21393	15.0
501.23090	6.3
503.21060	2.4
507.23621	1.9
517.22479	19.5
527.20868	3.0
529.22162	10.3
531.24170	4.1
535.23376	9.8
544.21155	2.1
545.21838	41.3
559.23389	21.9
563.23145	3.2
573.21252	10.3
577.24304	3.1
605.23895	83.4
606.24463	3.8
619.25409	2.8
636.40491	5.3
637.26599	100.0
637.38904	11.9
638.27106	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	637.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
61.22580	0.6
64.50347	0.5
67.05512	1.1
69.03454	0.8
69.07063	0.9
69.25122	0.6
79.05457	1.2
81.03416	0.9
81.07061	3.2
83.08615	0.7
85.02917	1.2
90.17451	0.7
91.05486	1.4
93.07050	1.9
95.08598	1.7
97.02938	0.7
105.07037	1.8
107.08626	1.9
109.10179	1.5
114.09181	0.7
119.08553	1.2
121.10214	1.2
123.11717	0.7
133.10118	1.1
135.08070	0.8
135.11720	1.6
137.06017	0.7
145.52802	0.6
151.53288	0.7
161.30269	0.6
163.03922	1.3
165.09105	1.3
178.39130	0.6
297.78687	0.7
323.11182	0.8
353.08337	10.9
354.09238	0.8
355.10092	5.6
355.15311	1.3
356.10727	0.7
381.07944	1.4
383.09308	1.0
423.12842	0.8
425.14108	1.2
437.14111	1.1
451.11963	4.2
453.13834	2.4
457.32672	3.5
483.14728	56.7
484.15042	3.7
485.16330	12.1
486.16196	0.6
507.22086	1.3
637.28320	100.0
637.38727	7.6
638.28619	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	637.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48644	2.7
88.42828	0.5
88.61211	0.6
91.19111	0.7
137.59827	0.5
142.25436	0.6
206.49016	0.7
220.46503	0.7
234.68764	0.6
242.25218	0.6
310.11609	0.6
415.19229	0.7
431.18137	1.0
432.23541	1.1
443.18637	1.9
444.19281	1.7
445.19968	6.5
446.21094	1.6
447.21820	0.8
458.21091	7.7
459.21738	6.0
460.22757	6.6
461.19138	3.3
475.21411	2.3
476.22070	1.6
477.22922	2.5
490.24152	1.0
491.24438	2.0
504.25540	0.8
505.21713	1.0
517.22601	1.8
518.22968	7.3
519.23523	1.2
531.24023	1.4
533.25720	3.4
535.23676	2.0
545.25867	3.5
546.26300	2.9
549.25006	1.0
573.25171	1.4
577.28326	3.1
578.28650	0.9
605.27618	18.0
606.27936	2.0
637.30176	100.0
638.30487	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	637.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11553	0.6
56.49045	0.6
58.89794	0.5
69.57301	1.0
69.57700	1.5
69.80322	0.6
75.65742	0.6
78.99292	0.5
102.02413	0.5
106.55020	0.6
139.52420	0.5
156.13885	0.6
169.58301	0.5
352.98602	0.6
369.29327	0.7
391.19131	1.5
392.19925	0.8
399.16443	1.0
400.16949	0.9
401.17807	1.1
402.18668	0.8
404.20837	0.9
405.20898	2.4
406.21652	3.4
413.17883	1.0
414.18372	1.3
415.19189	3.2
416.19598	0.9
417.21292	0.8
419.22668	1.4
420.23065	4.1
421.23923	5.4
427.19345	1.3
428.20010	1.4
429.20795	6.6
430.21423	2.1
431.18286	0.8
433.20245	2.0
434.25092	1.4
442.21817	0.9
443.22382	5.4
444.23325	4.1
445.20084	1.7
447.17749	1.4
455.18979	0.9
456.19537	1.3
457.23804	2.5
458.25137	5.7
459.21646	6.0
460.22775	3.8
461.19196	4.6
470.21048	1.2
471.21936	2.3
472.22470	4.8
473.23196	2.5
476.21994	5.5
485.23471	12.7
486.20541	2.0
486.24286	3.5
487.20483	1.2
488.22110	3.0
489.22919	0.9
491.24667	1.0
499.21448	1.0
500.22302	2.0
502.23340	0.8
503.24429	14.1
503.31412	1.2
504.24509	1.2
513.22974	2.5
514.23523	1.8
517.26001	8.7
518.26056	1.1
529.26025	2.7
530.22888	0.9
535.27039	20.7
536.27411	1.3
545.25470	69.7
546.26196	4.8
549.25006	1.2
563.26410	4.3
573.24951	18.1
574.25043	0.9
578.28619	1.0
605.27612	64.5
606.27716	5.0
637.30188	100.0
638.30499	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	637.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
55.05514	1.5
55.50670	0.5
55.89518	0.4
67.05499	1.5
68.53013	0.4
69.07061	0.7
71.45624	0.5
79.05497	1.7
81.07050	2.9
83.08642	0.6
91.05473	2.1
92.05790	0.5
93.07051	1.8
95.04954	1.1
95.08614	1.6
97.10172	1.1
98.23412	0.5
105.07020	1.3
106.07353	0.6
107.04976	0.6
107.08583	1.4
109.10184	0.8
117.07047	0.9
118.36221	0.4
119.08604	1.4
121.10136	1.1
123.08018	0.6
125.09634	0.8
133.10120	1.4
135.08076	0.8
145.10155	0.8
149.09619	0.6
202.15923	0.8
203.16359	0.6
228.13101	0.4
273.18533	0.7
275.20355	1.2
276.20496	0.8
291.19568	2.1
292.19977	1.3
293.21036	0.6
300.13516	1.3
301.14053	0.9
329.17282	0.8
331.18839	0.9
341.97314	0.5
637.37073	100.0
638.37549	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	637.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44449	0.3
55.01877	0.6
55.05522	2.2
57.07061	0.6
57.43545	0.4
67.05508	3.4
68.05833	0.4
69.07085	1.5
71.08610	0.7
79.05491	3.0
81.03417	1.0
81.07063	4.5
82.07416	0.6
83.05003	0.6
83.08625	1.4
91.05486	2.9
93.07057	2.6
93.56451	0.4
95.04960	2.4
95.08604	2.2
96.05305	0.5
96.08997	0.5
97.06519	0.7
97.10197	1.2
99.08110	0.6
105.07050	2.0
106.07365	0.4
107.04977	0.8
107.08625	2.1
109.10175	1.2
111.08067	0.6
117.07045	0.9
119.08604	1.8
121.10180	1.0
123.08051	0.4
125.09623	0.6
129.07028	0.4
131.08603	0.9
133.10098	0.9
134.10497	0.4
135.08092	0.6
135.11742	1.1
137.09584	0.6
139.11214	0.4
141.52197	0.4
145.10114	0.8
145.23215	0.3
147.11687	0.7
149.09657	0.9
151.11208	1.2
153.29320	0.4
159.11731	0.7
161.09671	0.9
161.13248	1.0
163.11244	1.1
164.11491	0.6
184.07359	0.7
189.11215	0.6
193.12259	2.0
194.12662	1.2
227.12729	0.6
257.19183	0.5
260.21097	0.6
275.20169	1.6
276.20575	0.6
277.21667	1.1
278.21991	0.9
289.18091	2.2
290.18359	1.5
291.19724	1.8
292.19907	1.1
293.21191	1.5
294.21509	1.4
300.13702	0.5
329.17212	0.4
584.39893	0.6
609.93011	0.4
619.25745	0.6
637.37054	100.0
638.27625	0.4
638.37512	7.1
653.43549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31803	0.2
52.24876	0.2
53.03930	0.6
55.05511	3.2
57.03418	0.9
57.07065	1.3
59.04974	0.4
61.02926	1.5
63.53208	0.2
67.05502	2.4
69.03428	3.8
69.06721	0.4
69.07064	4.1
71.04970	0.4
73.02892	0.5
79.05487	2.0
80.84838	0.2
81.03413	1.6
81.07053	4.2
81.77870	0.2
83.04961	0.3
83.08607	1.9
85.02900	12.0
85.06529	1.2
87.04442	0.6
91.03915	0.5
91.05478	2.7
93.07036	4.4
95.04953	0.6
95.08034	0.4
95.08604	6.2
97.02884	3.7
97.06479	0.3
97.10170	1.7
98.22726	0.7
99.04445	0.6
99.08033	0.3
105.07030	4.5
107.08588	11.4
109.02895	1.6
109.06493	0.9
109.10150	4.3
111.08086	0.5
115.05383	0.3
116.06263	0.2
117.07046	1.2
119.08573	10.5
121.06533	1.8
121.10139	7.7
122.10513	0.3
123.08069	2.7
123.11692	2.6
125.09537	0.4
127.03905	2.8
128.06207	0.5
129.07001	1.1
130.07770	0.6
131.08548	3.0
133.10123	9.4
135.08020	1.7
135.11670	2.1
137.09618	1.9
137.13263	0.5
141.06950	0.6
142.07758	0.8
143.08539	3.1
144.09296	0.5
145.04967	2.9
145.10117	12.0
146.10593	0.2
147.08040	1.4
147.11690	3.0
149.09628	2.3
149.13232	0.9
151.11160	0.4
154.07799	0.2
155.08525	1.2
155.85899	0.2
156.09253	0.9
157.10118	4.3
158.10950	1.3
159.08022	1.0
159.11693	8.0
160.12427	0.3
161.09622	1.9
161.13237	2.1
163.05933	0.3
163.11147	0.7
163.14818	0.9
165.09087	0.9
167.08565	0.3
167.10706	1.6
168.09319	0.3
169.10123	2.8
170.10832	0.5
171.11673	3.6
172.12450	1.8
173.09576	0.9
173.13255	3.4
174.10318	0.3
175.11215	1.4
175.14822	4.4
177.12764	1.0
177.16339	1.6
179.08543	0.4
181.10121	0.7
182.10873	0.5
183.11684	2.7
185.13242	2.9
187.11215	1.1
187.14804	12.5
189.12711	0.7
189.16393	1.1
191.14288	0.4
193.10068	0.6
194.10876	0.3
195.11658	1.1
196.12439	0.9
197.13263	3.2
198.14087	0.4
199.11105	0.6
199.14799	1.7
201.12677	1.7
201.16351	0.9
203.14293	7.1
205.15849	1.7
207.11613	0.4
208.12456	0.5
209.13277	1.7
210.14005	0.6
211.14777	3.2
212.15514	0.6
213.12753	0.7
213.16377	2.1
215.14301	12.5
215.17830	0.8
216.14592	0.4
217.15889	3.6
221.13211	0.3
221.15286	0.4
222.13969	0.3
223.14761	1.6
225.16365	4.2
226.17154	1.2
227.14250	1.1
227.17937	2.3
229.15820	1.2
231.17358	0.5
233.15350	50.0
234.15726	1.1
235.14815	0.5
235.16925	1.1
237.16371	1.0
239.14299	0.5
239.17969	2.1
240.18675	0.7
241.15863	2.7
241.19531	0.4
242.16481	0.3
243.17442	2.2
245.15193	0.4
245.18979	0.6
249.16267	0.7
251.18140	0.5
252.18733	0.4
253.15814	2.2
253.19469	1.0
255.17430	0.7
257.18933	0.5
259.16873	0.8
261.18484	0.4
263.18066	0.4
265.19492	0.4
267.17450	2.2
267.20895	0.6
269.18964	0.6
271.16916	0.5
277.19519	0.3
279.21033	0.5
281.18915	0.8
285.18393	1.1
287.20074	0.4
293.22559	0.5
295.20929	0.3
295.24161	6.8
297.22256	0.5
307.24127	0.7
308.21463	0.3
309.25766	1.0
311.23645	2.3
313.25229	1.7
319.24216	1.0
325.25330	1.9
327.22922	0.3
327.26846	0.3
335.09482	0.4
337.25232	13.4
338.25388	0.5
343.26321	2.0
355.26276	19.2
356.26563	0.6
373.27350	100.0
374.27734	3.5
391.28467	0.8
457.33444	0.3
517.31909	0.5
535.32550	2.6
573.56055	0.3
637.30170	1.4
637.39380	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01899	0.2
57.07071	0.4
57.73450	0.2
61.02916	0.5
62.98257	9.5
69.83810	0.4
69.84154	0.2
76.34354	0.2
81.03411	0.2
85.02897	0.4
91.03957	0.2
97.02888	0.6
98.23447	0.3
109.10138	0.2
127.03934	0.2
137.15312	0.2
145.04948	0.2
154.31355	0.2
174.01970	0.2
241.11847	0.2
298.72250	0.2
312.36526	0.2
313.27417	0.8
319.22391	0.7
323.19543	8.5
324.19608	0.2
326.19876	0.2
335.54831	0.2
341.20596	100.0
342.20950	3.1
359.20416	0.5
382.23212	0.6
596.32538	0.2
601.40723	9.5
602.40771	0.8
619.41821	1.1
637.35693	0.7
638.92590	0.2
658.91858	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	638.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.2
57.03414	0.3
58.06539	0.2
67.05498	0.8
69.07076	0.2
69.19237	0.8
71.75735	0.2
79.05487	0.5
80.07514	0.2
81.07056	0.9
91.05482	0.5
93.07042	0.6
95.08604	0.3
98.23421	0.4
98.98464	3.1
107.08569	0.4
109.10193	0.2
118.06523	0.5
120.08098	16.0
121.08368	0.2
121.10108	0.2
124.99996	11.0
130.06487	0.4
131.07300	0.8
144.08052	0.4
146.09637	100.0
147.10010	2.0
164.10707	6.2
174.09163	1.4
180.10141	0.3
206.11752	3.0
224.12819	1.8
244.07326	51.0
245.07703	0.9
272.06769	1.0
275.24335	0.2
291.19516	0.3
304.09421	96.8
305.09756	2.6
341.33899	0.2
560.31183	0.3
563.45013	0.2
620.33447	1.2
638.34302	4.3
639.21716	1.1
639.34424	0.3
640.35022	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	638.463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37983	0.7
53.03946	2.3
55.01861	3.5
55.05256	1.5
55.05510	17.9
57.03422	1.4
57.07061	1.1
57.42994	0.6
65.03919	1.2
67.05167	1.1
67.05506	17.6
69.03415	1.0
69.07062	9.9
71.04980	2.8
71.76731	0.8
79.05492	17.6
81.03400	5.2
81.07055	22.4
82.07405	1.0
83.04987	5.0
83.08613	16.1
85.02882	1.3
85.06543	1.4
91.04939	1.4
91.05482	20.2
93.07042	19.2
95.04967	24.0
95.08605	15.2
97.06515	5.1
97.10173	5.7
99.08077	1.3
105.07024	22.1
107.04951	7.7
107.08595	14.9
109.06519	4.7
109.10145	6.3
111.08083	3.7
113.09730	1.1
117.07009	7.7
119.08578	18.2
120.08958	0.9
121.06525	3.8
121.10138	8.8
121.35938	0.7
123.08060	3.6
123.11681	1.3
125.09648	5.5
129.07022	2.5
131.08568	11.0
133.06500	1.0
133.10126	17.6
135.08058	2.8
135.11685	5.2
137.09586	2.4
139.11188	1.1
141.07004	1.7
142.07800	0.9
143.08575	2.6
145.06476	1.3
145.10124	15.8
147.08052	2.4
147.11688	8.4
149.09625	17.7
149.13268	2.3
151.11195	2.5
155.08560	2.1
157.10126	3.3
159.08092	0.9
159.11678	8.7
161.09627	2.1
161.13242	3.7
163.11183	17.3
165.08987	0.9
165.12750	2.5
169.10136	2.7
171.11644	3.1
173.09627	2.8
173.11800	0.8
173.13260	3.0
175.11127	1.5
175.14842	1.2
177.12759	2.2
181.12257	1.0
183.11662	2.5
185.13293	1.2
187.11217	1.1
189.11234	6.4
189.12708	1.2
191.10704	0.8
197.13287	2.8
204.10202	1.2
205.12175	1.6
213.16525	1.1
215.14384	0.8
215.17848	1.1
223.13272	17.9
229.19540	2.6
235.16937	1.5
239.17870	6.3
247.20480	0.9
250.00769	0.8
257.19000	12.8
273.18478	1.5
274.18982	1.1
275.20056	100.0
275.86298	0.7
276.20444	2.1
291.19547	3.5
292.19901	3.0
293.21097	56.7
294.21481	1.3
313.27264	0.9
617.13586	1.1
621.26959	1.8
638.26862	2.0
639.28320	1.6
639.38782	1.6
669.45203	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.0
55.01886	3.7
55.05508	18.8
57.03438	1.8
57.07061	1.5
65.03929	1.1
65.35134	0.5
65.42257	0.6
67.05503	21.5
69.03439	3.0
69.07065	7.2
71.08627	2.3
73.68775	0.6
79.05495	19.9
81.03436	3.8
81.07056	38.3
83.04984	6.7
83.08619	12.2
85.02914	0.8
85.06555	1.2
91.05475	15.0
93.07043	19.5
95.04969	19.8
95.08595	10.0
97.06546	3.5
97.10167	13.5
98.23444	1.3
99.08109	2.6
105.04505	1.3
105.07028	11.8
105.07726	0.7
107.04952	6.7
107.08585	13.1
109.06512	6.6
109.10142	5.0
111.04440	3.8
111.08079	3.5
115.05449	1.5
117.07000	7.8
117.07703	0.8
119.04945	0.7
119.08576	14.1
120.08913	0.8
121.06488	4.0
121.10142	7.8
122.51243	0.6
123.08051	5.3
123.11726	0.8
125.09637	10.3
129.06973	3.8
131.08559	9.0
133.06544	1.4
133.10123	7.5
135.08041	5.4
135.11649	4.6
137.06068	0.7
137.09641	2.6
139.11212	2.2
141.07007	1.2
142.07791	0.6
143.08603	2.7
145.06474	0.7
145.10120	10.5
147.08040	7.7
147.11703	3.9
149.09624	7.2
149.13263	2.5
151.11171	6.4
153.09117	5.4
153.12767	1.9
155.08525	0.7
157.10149	3.6
159.08023	1.1
159.11719	5.6
161.09665	4.2
161.13240	3.7
163.11172	12.6
163.14833	0.9
164.11572	0.7
165.09117	1.8
165.12817	2.0
167.08626	0.7
169.10109	1.8
171.10365	0.7
171.11717	2.4
173.09668	1.7
173.13304	2.0
175.11278	1.4
175.14842	1.0
177.12799	2.7
179.14346	1.7
181.10117	0.8
181.12245	3.1
184.07352	1.6
185.13341	2.0
187.11171	1.5
187.14914	0.7
187.75766	0.6
189.11221	10.1
189.12747	1.6
191.10616	3.8
193.12288	1.0
194.81551	0.7
195.13821	1.3
199.14842	0.7
202.42622	0.7
203.14322	1.0
205.12224	1.0
207.13861	0.8
209.13457	0.9
213.16440	1.0
223.13271	7.3
227.12859	2.8
227.17981	1.0
237.16341	1.0
241.19669	0.9
245.19070	1.9
247.20517	0.7
249.14922	1.5
255.17551	2.0
257.19049	1.6
259.20630	1.8
273.18484	20.2
274.18771	1.1
275.20078	9.9
276.20627	0.7
277.21594	8.3
291.19534	62.6
292.19998	2.9
293.21091	24.2
294.21555	1.7
295.22794	1.7
309.20624	2.4
331.18762	1.4
331.22360	0.7
449.30664	1.4
451.31998	1.1
467.31622	2.1
469.33310	1.2
479.92374	0.7
485.32782	2.8
567.40289	1.3
585.41223	1.1
597.26978	3.1
638.37152	1.4
639.38629	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2815
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.92855	1.0
63.24794	1.1
67.05531	1.6
69.08880	1.0
84.37805	1.0
131.71010	1.1
134.49248	1.1
154.62152	1.0
171.47874	1.2
323.27426	1.3
377.17627	2.7
389.18076	1.3
390.18533	1.7
391.19214	5.1
392.20178	3.4
404.19946	1.9
405.20679	8.5
406.21481	5.0
407.22275	11.6
419.22266	4.0
420.23022	4.8
421.23849	17.7
422.24753	2.6
433.23969	4.6
434.24802	2.5
435.18365	2.6
435.25125	1.4
436.19254	2.5
445.20499	1.4
446.20703	1.4
447.21280	1.7
449.19574	1.4
451.21262	13.0
452.22119	2.2
461.23782	1.5
463.21130	2.5
464.22214	1.4
465.22882	20.1
466.23575	2.9
473.19827	1.9
475.25009	1.9
478.23663	1.9
479.24667	1.5
487.21301	2.8
488.22467	1.4
491.21292	1.5
492.21439	1.5
501.22513	2.5
502.23828	1.9
503.24399	11.8
504.25089	2.7
507.27615	9.1
508.28061	2.6
523.23438	4.1
533.25366	2.3
535.27118	14.4
536.27948	1.6
537.24701	10.0
551.26575	5.9
552.27246	20.7
561.24780	3.7
579.26154	6.7
580.26733	2.6
595.29150	10.3
621.27039	14.8
639.28143	100.0
639.41705	3.3
640.28564	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	639.2811
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
50.45449	0.4
55.05510	1.0
57.03446	0.7
57.07078	0.9
67.05494	2.6
69.07063	1.2
71.08619	0.6
71.42844	0.5
73.77897	0.4
78.21561	0.5
79.05510	1.4
80.32275	0.5
80.64075	0.4
81.03400	0.8
81.07056	3.7
82.07371	0.5
83.08623	1.0
85.10184	0.5
89.29500	0.5
91.05489	1.5
93.07047	1.9
95.08624	2.0
100.84633	0.4
105.07053	1.8
107.08649	1.1
109.06537	1.0
109.10167	1.5
116.61120	0.4
119.08614	1.3
120.08956	0.5
121.10177	0.8
121.38349	0.4
123.11764	0.5
131.08563	0.9
133.10197	0.7
135.11748	0.5
146.09549	0.5
147.11757	0.8
149.09686	0.5
163.11186	0.7
169.10120	0.5
174.09084	0.6
192.81779	0.6
198.97523	0.5
234.25182	0.5
261.39163	0.5
275.20078	5.3
276.20462	1.9
293.21140	2.3
294.21542	0.8
302.13220	0.5
313.27310	3.5
391.15771	0.5
393.21005	0.6
405.17258	0.7
407.18918	1.4
417.16672	0.6
419.14673	0.8
420.15295	0.8
421.20425	4.1
422.20779	1.7
423.21350	0.7
432.19977	0.6
433.15955	0.8
433.20926	0.6
434.17706	1.5
435.18262	1.9
436.22769	2.1
447.17871	0.9
448.19070	1.7
449.19611	8.0
449.75851	0.5
450.20432	2.9
459.18179	0.6
461.19742	1.3
463.21698	4.4
464.22092	5.0
465.22980	1.0
473.19589	0.6
474.20398	0.6
475.21320	1.9
477.18646	4.5
478.19440	2.2
479.20535	0.9
491.20694	1.0
493.22101	0.7
495.23920	0.8
505.22369	0.5
507.24036	1.0
509.25485	0.7
519.23584	0.5
521.21655	1.3
523.23676	1.7
527.23615	1.2
533.21832	1.1
535.23724	2.4
536.24109	1.1
537.21136	1.1
547.23676	0.7
549.21198	0.6
551.26794	2.5
561.24854	3.4
564.23511	3.8
565.24451	2.1
579.25885	6.4
580.26459	1.1
581.24481	0.7
595.25739	2.1
596.26257	1.5
611.29132	0.6
621.27008	4.0
624.25909	4.7
639.28119	100.0
640.28271	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	639.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42138	0.6
55.01873	2.3
55.05514	10.4
57.03444	0.7
57.25789	0.6
59.60457	0.6
59.90231	0.5
65.03949	0.8
67.05508	9.5
69.03442	1.3
69.07074	4.0
70.62698	0.8
71.08631	0.7
79.05499	8.0
80.05832	1.3
81.03423	2.4
81.07062	11.7
82.07410	0.7
83.04978	2.9
83.08621	5.3
84.08979	0.8
85.02927	0.7
85.06581	0.8
87.02775	0.7
91.05486	7.5
92.05829	0.8
93.07040	7.5
94.07401	0.8
95.04971	16.3
95.08611	5.1
96.05345	1.8
97.06539	1.8
97.10170	6.4
98.10493	0.8
99.08111	1.2
105.07027	6.4
106.07375	1.1
107.04982	2.7
107.08604	6.6
108.08929	1.3
109.06534	2.3
109.10146	2.9
110.10455	1.0
111.04472	1.1
111.08080	3.1
113.45354	0.7
117.07015	2.9
119.08592	5.6
120.08961	1.1
121.06490	1.3
121.10145	3.7
122.10452	0.6
123.08094	1.8
125.09650	4.3
128.06190	0.8
131.08578	2.7
133.10130	3.3
134.10501	1.0
135.08067	1.4
135.11707	1.9
137.09677	0.8
141.06996	0.9
144.08052	1.1
145.10118	4.0
146.10484	0.7
147.08041	1.5
147.11703	2.0
149.09624	3.9
149.13319	0.9
151.11214	1.2
153.09088	4.0
154.09413	0.7
157.10127	0.7
159.11711	1.8
161.06210	0.8
163.11200	4.6
164.11497	1.0
165.12752	1.1
173.13280	0.9
175.11209	0.9
177.12805	1.9
181.12285	0.9
183.11635	0.8
189.11220	4.5
195.13889	0.9
195.37614	0.6
202.15985	2.0
203.16278	2.3
213.06741	0.8
221.10753	0.9
222.11516	1.9
223.13658	3.3
224.13425	1.9
225.06584	0.8
225.13939	1.3
225.93857	0.6
229.19623	0.8
232.09645	0.7
235.12305	1.2
236.13245	1.4
237.13841	3.3
238.14601	1.9
239.15427	1.6
247.12349	0.8
247.20482	0.8
248.13150	0.9
249.13988	2.0
250.14639	0.7
251.11938	0.8
251.15491	3.2
252.16376	1.0
253.09770	0.7
253.16966	1.0
257.19070	1.7
261.13904	2.9
262.14703	0.5
263.11835	0.8
263.15475	1.0
273.18536	1.4
275.15591	1.0
275.20081	10.2
276.20410	4.0
277.13422	1.0
277.21585	1.4
279.14844	1.8
286.13535	1.1
291.19601	6.2
292.19916	2.8
293.21109	30.0
294.21454	12.7
299.10324	1.5
300.13669	1.4
301.14011	2.7
302.14301	1.4
305.01752	0.7
311.22232	1.1
312.15070	1.1
340.17834	0.7
347.18225	1.0
349.14920	0.6
364.18219	1.1
365.18436	0.8
366.19452	0.9
377.17963	0.7
379.19461	1.1
391.20041	0.8
392.16180	1.2
393.16901	1.0
393.21384	1.2
395.18549	0.9
405.17755	1.0
407.18469	3.6
408.19647	1.3
410.21021	1.0
417.16885	1.3
419.18698	1.1
421.20428	2.0
422.20987	2.5
423.21768	2.7
431.18781	1.0
433.16348	1.0
435.17853	1.2
435.22546	0.9
436.18719	1.0
445.20297	0.8
446.20596	0.7
449.19867	1.8
450.20456	2.9
451.21146	2.2
461.19589	1.3
463.16785	1.3
464.22882	0.9
479.20599	1.5
481.26419	1.2
482.22971	1.8
483.24078	1.1
494.23450	2.1
495.24442	0.7
496.24524	1.7
505.22324	0.8
509.25723	14.3
510.26196	1.3
519.24207	2.4
521.22656	1.2
522.22705	1.9
526.26782	0.8
533.25568	0.9
535.27405	0.8
537.25024	12.7
538.25531	1.2
547.23169	1.5
551.26489	4.1
561.25153	2.4
563.26581	0.9
565.24542	10.5
566.24677	1.4
567.29779	2.4
569.27643	13.8
570.28217	1.5
579.26025	3.4
589.24127	1.1
595.29120	0.8
596.26416	2.3
597.27063	88.5
598.27301	6.8
607.25476	7.2
611.28607	13.1
612.28680	1.1
621.26978	6.8
621.38348	1.9
622.26678	1.6
639.28003	32.4
639.38727	100.0
640.28400	2.3
640.39130	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	639.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
55.05511	2.2
56.68094	0.3
67.05510	2.2
68.05826	0.4
69.07067	0.6
69.18642	1.7
77.03920	0.4
79.05503	2.0
80.05798	0.4
81.07053	4.3
82.07373	0.5
83.04971	0.9
83.08618	1.2
85.02892	0.3
91.05502	1.8
93.07040	2.0
94.07401	0.5
95.04966	2.3
95.08602	0.9
96.05276	0.4
96.08943	0.4
97.06543	0.5
97.10175	1.4
98.10533	0.5
105.07037	1.4
106.07330	0.4
107.04944	1.0
107.08583	1.8
109.06538	0.4
109.10134	0.6
111.08072	0.5
117.07033	0.8
119.08605	1.4
121.06615	0.5
121.10158	0.8
123.08071	0.8
125.09637	1.2
128.27713	0.3
129.07013	0.5
131.08568	0.9
133.10149	0.7
135.08076	0.6
135.11780	0.5
145.10132	0.7
147.08084	0.5
147.11708	0.4
149.09602	0.9
151.11194	0.7
153.09137	0.4
157.10129	0.4
163.11208	0.9
164.11502	0.5
189.11247	1.1
190.11481	0.3
223.13243	0.4
224.13506	0.4
227.12762	0.4
273.18582	1.2
274.18881	1.2
275.20096	1.0
276.20590	0.8
277.21555	0.6
291.19522	3.9
292.19800	2.5
293.21124	3.0
294.21585	1.5
302.06723	0.3
331.18845	1.7
475.01617	0.4
509.25592	1.0
537.24677	0.9
563.62384	0.4
565.24591	1.2
569.27264	0.8
597.27112	6.2
598.27686	0.7
607.25507	0.7
621.37036	0.4
639.29346	3.5
639.38629	100.0
640.29327	0.4
640.38910	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	639.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.4
57.07079	0.3
58.32211	0.3
67.05508	0.7
69.75044	0.9
71.08640	0.4
79.05506	0.4
81.07038	0.7
85.96078	0.3
91.05472	0.5
93.07053	0.4
95.04985	0.4
95.08638	0.5
105.07024	0.5
107.08611	0.4
112.51781	0.3
125.09661	0.4
133.10172	0.3
134.27829	0.3
145.10162	0.4
163.11249	0.3
204.17543	0.6
205.17911	0.4
244.44972	0.3
248.90559	0.3
265.27316	0.3
277.21616	0.3
293.21259	0.7
301.14029	0.4
302.15204	0.9
303.15518	0.3
313.58441	0.3
327.45026	0.3
329.17453	0.3
331.18805	0.5
333.20325	0.6
363.17792	1.3
527.29297	0.7
541.31567	0.4
547.22626	0.7
561.24677	0.8
607.24292	1.4
621.27081	0.8
621.36603	0.5
639.38611	100.0
640.29291	0.3
640.38824	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	639.3871
Annotation	6-Formyl-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylene-4-(2-methyl-1-oxobutoxy)-2-oxocyclodeca[b]furan-5-yl ester 9,12,15-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.96777	0.5
55.05516	1.0
64.37660	0.6
65.62865	0.5
67.05501	1.3
69.07076	0.9
69.45135	2.9
76.96518	0.5
79.05492	1.1
81.07074	2.4
83.08598	0.7
89.59248	0.6
93.07069	1.0
95.04972	0.9
95.08612	1.7
105.07056	1.2
107.08636	0.6
109.06520	0.7
109.10183	0.7
119.08598	1.0
121.16841	0.6
143.08551	0.6
149.02364	0.9
155.08562	0.8
159.11761	0.9
161.88005	0.6
163.81274	0.7
249.11357	0.6
273.18356	0.9
275.20013	0.7
291.19675	0.8
313.17706	0.7
313.27377	0.8
321.52890	0.8
331.18677	2.9
341.03882	0.7
347.18478	0.9
363.17957	5.0
418.71960	0.9
479.67358	0.7
541.31366	3.4
607.25641	0.6
621.37561	48.9
622.38226	2.0
639.38611	100.0
640.39038	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	639.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	2.7
59.04689	1.0
60.08151	1.6
67.05502	2.8
69.07063	1.2
70.96266	1.0
71.07372	1.4
81.07060	2.8
86.09696	7.5
91.05464	1.4
93.31329	1.0
95.08603	2.0
104.10744	6.6
107.08632	1.1
110.97641	1.0
124.93816	2.5
125.00036	2.0
146.98161	5.8
171.03307	2.2
173.06616	1.5
184.07339	6.5
185.05067	1.5
199.06403	1.8
203.05882	2.0
217.07500	2.8
257.12277	1.2
262.10464	1.3
263.11301	2.1
267.08911	1.3
286.99072	10.7
291.19562	1.7
305.98083	3.1
313.16473	3.1
331.18842	100.0
332.19022	2.5
336.25845	1.6
347.15189	4.9
349.17291	29.7
350.17368	1.4
365.16199	2.2
372.19128	3.7
435.31189	1.2
481.23117	1.5
482.23563	4.4
498.20859	1.5
519.33099	1.2
536.17145	1.3
541.30988	10.9
557.27490	1.7
621.35577	1.9
639.25195	8.8
639.35913	16.1
640.25037	1.9
640.36389	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.3
57.03416	0.2
57.07051	0.2
65.03943	0.2
67.05492	0.6
69.07048	0.2
69.38999	0.5
69.39388	0.3
79.05464	0.3
81.07021	0.6
88.07597	0.2
91.05482	0.7
93.07014	0.3
95.08592	0.5
97.54675	0.2
97.63513	0.1
98.98446	3.0
102.10432	0.2
107.08604	0.2
109.10146	0.3
110.52435	0.2
118.06499	0.5
119.07290	0.3
119.08581	0.2
120.08099	16.4
121.08451	0.2
124.99994	11.7
130.06514	0.4
131.07294	0.8
144.08055	0.4
146.09636	100.0
147.10004	1.8
149.02316	0.2
164.10706	7.2
167.82756	0.2
174.09151	1.8
180.10175	0.3
192.10219	0.2
203.07068	0.2
206.11760	3.0
219.06232	0.2
224.12788	1.9
244.07326	53.4
244.51346	0.2
245.07683	0.8
256.26245	0.4
272.06827	0.9
304.09412	99.5
305.09775	2.5
369.98318	0.2
378.13385	0.3
411.10663	0.4
622.35187	1.2
640.35919	6.8
641.35638	0.5
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
54.84045	5.7
55.05511	14.8
57.03446	11.0
57.07086	56.0
67.05502	53.4
69.07068	28.4
69.62557	24.1
71.08632	36.8
79.05511	39.7
81.07056	62.0
83.08637	15.5
85.10183	22.2
91.05478	31.9
93.07051	49.9
95.04959	7.7
95.08627	36.6
97.06510	8.7
97.10145	9.7
105.07039	29.2
107.08603	27.4
108.10869	5.4
109.10172	19.0
117.07034	13.1
119.08578	20.0
121.10187	9.7
123.08058	6.7
123.11634	6.3
131.08597	13.5
133.10144	15.2
135.11697	7.4
145.10077	10.9
147.11708	11.8
159.11662	14.2
179.01636	6.7
192.18639	5.9
255.15933	11.3
269.17419	18.7
275.19974	30.3
313.27435	69.0
320.19977	6.2
349.23782	24.7
428.49515	6.7
437.57410	6.6
447.59409	5.8
493.38751	21.8
506.67621	6.7
507.40457	100.0
523.38824	7.3
580.83447	6.5
587.46564	15.1
669.05859	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	641.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67799	0.9
55.01867	1.2
55.05510	3.6
67.05496	3.8
69.07065	2.3
69.39186	3.9
71.08600	1.1
74.11320	1.0
79.05501	3.2
81.07068	5.6
83.04980	1.2
91.05482	2.7
93.07057	2.6
95.08584	2.0
96.09007	1.0
101.22026	0.9
105.07033	2.2
107.08595	3.3
114.45732	1.0
119.08604	2.1
121.10154	1.5
133.10167	1.2
135.11609	0.9
146.09705	2.3
149.09695	0.9
159.11711	1.1
179.14204	1.1
194.82567	0.9
195.13840	0.9
204.04216	1.1
275.20096	3.3
277.21460	1.4
302.27774	1.0
304.09528	1.9
330.91815	2.1
331.19012	1.8
333.20428	1.7
349.19870	1.6
400.53513	1.0
409.13190	1.0
410.14484	1.1
421.12973	2.3
422.13766	5.5
423.14566	4.0
434.13431	1.2
435.14575	3.6
436.15445	7.0
437.12012	0.9
437.16336	9.6
441.15588	1.1
450.17117	2.0
451.18283	6.0
452.18619	1.8
463.14355	1.2
464.14752	5.4
465.15347	3.4
465.20544	1.3
466.16302	1.8
467.17474	2.3
469.14774	1.4
477.15518	1.1
478.16486	4.7
479.17505	4.6
480.17975	7.5
484.17841	1.5
493.19101	8.3
494.19058	3.0
495.16422	6.6
496.17355	1.7
498.15088	1.6
507.17093	1.9
508.17215	10.0
509.18301	6.2
510.18878	1.8
512.17035	3.2
521.18213	13.9
522.16040	3.8
526.14514	1.7
537.17975	1.5
543.21112	2.5
549.18433	1.5
553.20758	4.7
581.20325	64.0
582.20593	4.3
599.21326	10.8
609.20172	1.5
611.07983	1.0
622.22998	6.2
641.22345	100.0
641.38727	15.7
642.22351	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	641.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
63.89957	0.3
64.95917	0.4
67.05418	0.7
69.06990	0.7
69.33785	2.2
79.05394	0.7
81.07008	0.4
93.06962	0.8
95.08509	0.5
120.07955	1.3
142.89868	0.4
146.09648	5.6
147.09856	0.8
164.10571	1.6
174.09129	0.5
195.00214	0.6
224.12726	1.3
244.07135	1.7
245.07475	1.0
304.09497	2.9
305.09586	1.0
330.91580	0.9
396.13232	0.5
403.17926	0.5
407.11298	0.6
408.11856	0.7
409.13403	0.6
410.14514	1.3
411.15820	0.7
414.14505	0.8
421.12946	2.3
422.13718	4.9
423.14542	4.6
424.15268	1.9
425.16675	0.9
426.13141	0.6
428.16071	0.9
429.16714	0.5
435.14499	3.8
436.15408	6.5
437.16296	9.0
438.16769	1.6
439.17960	0.5
441.15817	1.3
449.16721	2.1
450.17758	2.8
451.12738	1.2
451.18661	5.4
452.18192	2.0
455.17258	1.9
463.13678	0.7
464.14291	3.5
465.15262	3.5
465.19879	2.0
466.15558	2.3
467.17154	1.5
469.14865	1.2
470.16367	0.7
477.15298	1.2
478.16568	3.0
479.17267	4.1
480.18143	5.7
481.18561	1.4
482.15723	0.8
484.17590	0.9
492.18332	0.6
493.19040	6.5
494.19086	2.3
495.16406	4.7
496.17212	0.8
498.15137	0.8
506.16058	1.8
507.16660	1.8
508.17465	7.5
509.18350	5.4
510.18713	1.7
512.16693	2.6
521.18231	10.9
522.15729	4.0
523.15533	0.7
524.16876	0.9
525.21588	0.7
526.14850	1.6
537.17682	0.7
538.18585	0.9
539.19019	1.9
543.20929	1.6
549.18347	1.2
553.20880	4.3
562.21057	0.9
581.20306	54.8
582.20386	4.5
599.21326	12.3
600.21790	1.1
609.20001	1.5
622.22986	5.6
641.22406	100.0
641.39960	3.3
642.22620	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	641.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.1
67.05508	2.2
69.07099	1.6
69.22776	4.3
73.93249	1.0
81.07070	3.2
86.00538	1.1
91.05435	1.7
98.98480	1.2
107.08614	1.4
107.12748	1.0
116.78709	1.2
120.08123	13.8
121.08454	2.4
125.00008	11.3
129.53465	1.0
146.09644	77.7
147.10007	16.9
158.19894	1.1
164.10751	3.8
165.09161	2.8
174.09216	2.1
195.00256	1.8
206.11824	2.8
207.12057	1.4
224.12788	1.6
244.07352	40.2
245.07704	10.2
246.36209	1.2
304.09427	69.0
305.09793	24.1
330.91656	5.4
348.92868	1.6
360.60965	1.3
421.13034	4.4
422.13962	4.6
423.14526	4.7
424.15436	1.7
425.16196	1.4
435.14526	3.2
436.15189	7.0
437.16150	10.3
438.17203	2.8
441.15686	1.3
449.16592	1.9
450.16833	3.5
451.18433	5.7
452.18588	1.6
464.14828	3.1
465.15738	4.8
466.16422	2.3
469.15274	1.6
478.16895	3.1
479.17096	4.1
480.17917	3.7
483.37729	1.5
492.17993	1.7
493.19385	7.7
494.18686	1.7
495.16806	4.0
496.17499	1.4
507.16675	3.3
508.17560	7.5
509.18222	5.1
512.17010	3.5
521.17987	12.5
522.18457	3.9
525.20850	1.7
538.19135	1.5
539.19458	1.9
543.21130	4.7
553.20813	3.5
581.20306	47.0
582.20477	4.3
599.21460	10.5
622.22864	4.9
640.38287	5.2
641.22461	100.0
641.38196	8.0
642.22662	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
55.05521	0.3
56.35305	0.3
56.42078	0.3
62.52004	0.3
67.05500	0.5
79.05502	0.5
81.07069	0.8
83.08630	0.4
98.44606	0.4
99.99808	0.3
107.08607	0.6
121.10158	0.4
146.98228	0.4
225.10323	0.4
286.99173	1.3
313.26062	0.4
324.39191	0.4
355.55344	0.4
377.17792	0.9
379.19324	0.7
385.09232	0.5
390.19138	0.4
391.19431	1.0
392.20163	0.7
393.20786	1.2
405.17056	2.2
405.21494	0.6
406.17618	0.8
407.17920	0.6
407.22855	3.3
408.23071	0.5
409.23969	0.6
418.17828	0.7
419.18301	2.7
420.18939	1.7
421.20334	4.0
422.21033	0.6
423.21970	0.7
433.20370	4.0
434.21417	3.4
435.21960	6.1
436.22592	1.4
447.22339	1.9
448.18311	0.5
448.23471	0.5
449.19604	7.7
449.24872	0.4
451.21277	0.4
462.20105	0.6
463.21161	2.6
464.22330	1.7
465.18649	0.6
467.24878	0.8
476.22375	0.6
477.22647	0.7
479.20898	1.4
481.22189	2.0
493.21631	2.3
494.23032	3.1
495.23761	4.1
507.24380	2.2
508.24783	0.5
521.25861	8.2
522.25812	1.0
526.25574	0.5
535.22797	0.6
539.23456	1.2
549.24829	0.6
552.23907	0.5
553.26764	0.6
563.26465	0.7
581.27661	19.8
582.28082	1.3
595.25739	0.6
609.27252	0.8
613.30255	0.6
641.29669	100.0
642.29614	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	641.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19803	0.5
67.05510	1.7
69.07059	1.1
70.05318	1.5
79.05482	0.9
81.07064	1.8
83.08636	0.6
91.05478	1.3
93.07070	1.4
95.04914	0.5
97.06551	0.7
105.07063	0.8
107.08609	0.6
118.10833	0.5
118.95132	0.5
119.08566	0.8
121.82009	0.5
122.06068	0.5
131.08548	0.7
133.10107	1.1
135.08090	0.6
192.88812	0.6
198.97530	1.0
208.11273	0.6
210.11661	1.1
211.12372	0.8
223.12369	0.8
225.13811	1.2
227.11798	1.2
237.13919	0.9
238.14706	1.0
239.11826	1.1
239.15477	1.4
249.13864	0.5
251.15536	0.7
275.19943	1.4
276.20425	1.5
298.13574	0.6
304.14542	0.6
307.10852	0.7
313.15836	1.1
318.15854	1.0
325.11816	0.5
327.55139	0.6
330.16043	0.8
331.18811	1.3
332.17389	0.8
333.20425	2.0
334.19333	0.6
344.17670	0.7
349.68878	0.5
354.12674	0.8
374.18451	0.9
384.17126	1.1
389.17648	0.9
391.19028	0.9
392.19708	1.5
393.20709	0.9
401.17709	0.8
402.18497	1.0
403.19373	2.1
404.20026	1.6
405.20886	1.8
406.21399	2.4
407.22150	3.4
408.23337	0.6
412.16440	0.9
415.19308	1.9
416.20068	2.1
417.20779	3.2
418.21954	2.5
419.22079	2.2
420.23019	2.0
421.23666	3.8
422.24606	3.6
426.18246	0.7
429.20844	2.1
430.21799	1.1
431.22775	3.0
432.23181	0.7
433.24118	4.7
434.24423	4.0
443.22968	1.1
444.19238	2.7
444.23956	1.4
445.24988	2.8
446.24683	0.9
447.25867	1.1
448.19080	0.8
448.26416	1.1
449.23505	1.4
451.81403	0.6
459.21326	2.9
460.22812	1.8
461.19656	1.1
462.20459	2.8
463.21323	2.2
472.22430	0.9
473.23727	2.9
474.24579	2.9
475.21353	2.9
476.21918	1.5
477.22952	10.4
478.23651	0.8
485.23398	0.7
487.25021	4.4
489.23157	1.0
491.24426	2.7
493.26251	0.9
505.26120	2.2
506.27008	3.3
515.24646	1.5
517.24133	0.6
519.27557	1.7
529.25055	1.2
532.24713	0.9
535.22919	2.5
545.25464	7.6
546.26477	1.1
547.27094	11.9
548.27527	0.7
549.25006	7.3
550.25818	13.1
551.12988	0.7
551.26019	0.7
555.32672	1.5
563.26361	2.0
564.27429	1.8
565.28143	1.0
577.27740	1.5
579.29541	5.6
591.25964	10.2
605.27594	15.5
606.27777	0.8
609.27094	8.0
610.27283	0.6
623.28644	92.9
624.28973	5.6
641.30157	6.6
641.40173	100.0
642.40125	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	641.2972
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.05511	2.2
67.05512	2.0
69.07081	1.9
70.64310	0.6
71.10500	1.0
79.05498	3.0
81.07061	2.4
83.08624	0.8
85.10177	2.0
91.05491	2.9
93.07059	2.5
94.06565	1.0
95.04978	1.6
95.08641	1.7
105.07072	1.4
107.04987	0.9
107.08602	1.7
109.06509	0.9
109.10183	1.2
113.09683	2.3
113.11431	0.6
118.06604	0.7
119.03743	0.7
119.08634	1.7
121.10152	0.8
123.08122	0.9
129.07040	0.6
131.08571	1.1
132.08098	0.7
133.10161	1.0
135.11659	0.6
143.08421	0.8
144.08160	0.8
147.11734	0.6
149.09647	1.3
151.11206	0.9
159.11757	0.8
163.11256	0.6
165.12756	2.0
173.13335	0.9
185.10782	1.3
188.03426	1.1
197.10760	1.6
206.00227	0.6
209.10771	1.5
210.11510	1.5
211.12364	2.4
212.13080	0.7
216.06339	0.7
221.10762	0.7
223.12213	0.7
224.09439	0.8
224.13185	1.8
225.10225	1.0
225.13785	3.0
227.11803	1.9
234.11188	0.7
235.12392	1.2
236.12840	0.7
237.13867	1.8
238.14600	1.3
239.11801	1.7
239.15485	3.0
247.12360	0.8
249.13951	1.2
251.15515	1.2
272.60806	0.7
274.13501	1.1
275.15048	0.9
275.20081	3.3
276.15152	1.0
277.21454	3.0
278.21973	1.0
281.12955	0.8
288.15234	0.9
290.13309	1.0
290.16666	2.4
291.17285	0.8
292.18085	1.3
293.21185	1.0
295.22723	8.5
296.23099	2.1
299.15131	0.8
302.17749	0.6
304.14487	1.2
304.18152	1.3
305.18787	1.6
306.16248	0.8
307.10651	1.4
312.14941	1.1
313.15546	2.3
314.16669	1.0
317.16147	0.8
318.16107	2.0
319.16870	1.7
328.14536	1.0
328.18314	0.8
330.15820	0.9
331.18420	2.2
332.17441	1.3
333.20544	0.9
334.19135	1.0
344.17917	1.7
345.18564	0.7
346.18985	1.2
348.20898	1.0
369.14767	1.2
373.18701	0.8
374.18616	1.4
375.19684	1.7
379.19791	1.0
384.17059	3.0
387.19327	1.0
388.20190	1.3
390.21805	0.8
391.19098	1.7
392.19821	4.0
393.20517	2.3
401.17441	0.7
402.18277	1.2
403.19492	1.0
405.21091	2.8
406.21518	5.4
407.22415	5.6
408.23462	1.1
412.16306	3.5
415.19330	0.9
416.20142	1.7
417.21002	1.9
418.21902	1.4
419.22180	2.9
420.22940	2.9
421.23859	7.7
422.24408	8.5
426.17996	1.5
427.19061	0.9
429.20685	1.8
430.17514	1.0
431.22775	1.3
432.23434	1.2
433.24445	1.4
434.18143	1.0
434.24518	7.5
435.21725	1.5
444.19092	6.2
445.23822	2.0
447.21826	0.8
448.18787	1.5
449.23865	1.2
458.20886	1.2
459.21616	2.5
460.18536	0.7
461.19580	1.1
462.20602	2.0
463.21204	8.1
463.95383	0.7
466.23276	1.1
473.23434	1.4
475.21786	3.7
476.20798	2.1
477.23080	6.2
479.24796	1.0
485.23691	1.1
487.25092	1.7
489.23196	1.8
491.24582	4.1
494.26651	2.6
495.27521	2.2
508.22430	1.2
518.23706	0.9
519.20355	0.9
519.27563	1.1
520.21082	1.1
522.26160	0.9
523.26898	1.7
529.25171	1.0
531.23700	1.3
534.22418	1.1
543.33203	0.7
545.18512	1.0
545.25604	8.0
547.27277	8.0
549.24896	16.6
550.25739	5.8
561.21497	1.6
563.26581	4.9
564.27228	1.8
565.28503	1.5
576.23450	1.9
577.24634	1.0
579.29999	2.1
581.27368	1.1
591.26007	39.9
592.26202	1.9
595.29358	0.9
605.27667	7.8
608.26062	1.0
609.27057	17.0
623.28638	100.0
624.29175	4.7
640.39258	3.3
641.29559	17.5
641.40106	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62794	1.0
58.98118	0.9
67.05518	2.8
79.05490	2.8
81.07036	4.5
85.10187	2.2
91.05481	1.6
93.07057	2.0
95.04978	2.2
95.08615	2.3
105.07047	2.2
107.04981	1.2
107.08556	1.7
109.10125	1.4
113.09653	2.5
119.08593	1.4
120.25620	0.9
121.10157	1.0
147.11696	0.9
164.77895	0.8
165.12814	3.0
176.74503	0.9
198.97539	3.4
249.13789	1.1
275.20132	2.2
277.21719	4.0
278.21890	1.1
293.21240	1.3
295.22708	10.4
296.23096	3.5
331.18857	1.6
333.20197	1.5
349.19849	1.0
387.16077	1.1
389.18225	1.4
391.19125	1.1
401.17752	1.3
403.19641	1.8
404.20248	1.6
405.20486	1.0
407.22067	1.2
408.23370	1.1
415.19031	1.8
416.20230	2.5
417.20627	2.9
418.21921	1.2
421.23807	1.4
429.20840	4.1
430.21753	1.8
431.22397	3.8
432.23520	1.0
433.24222	5.0
435.21991	1.4
444.23392	1.4
445.23892	3.4
446.24908	1.3
447.26175	1.4
457.20169	1.3
459.21851	3.6
462.20627	3.0
463.21405	4.2
473.23425	3.8
474.24307	2.0
475.21390	4.2
476.21625	2.2
477.22977	13.1
485.23575	1.7
487.24954	4.9
489.22943	1.7
491.24365	3.0
505.26804	2.0
506.26941	2.2
517.26471	1.3
518.22961	1.5
519.27460	2.7
529.25293	2.7
532.24493	1.7
534.23242	1.3
535.23596	3.0
545.25592	6.3
546.25714	1.2
547.27191	14.5
549.24835	11.1
550.25739	13.8
563.26282	2.9
564.26782	1.8
577.28442	1.3
579.29492	7.3
591.26184	11.3
605.27563	17.9
623.28589	89.2
624.28680	3.8
640.39972	2.2
641.40192	100.0
642.40173	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	641.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12274	0.7
56.50299	0.7
56.96567	0.9
57.85123	0.6
67.05508	1.2
69.21975	4.1
72.60108	0.6
79.05515	1.3
80.49486	0.6
80.99612	0.7
81.07047	1.2
87.78516	0.6
93.07042	0.9
95.04964	0.8
96.78810	0.7
98.23460	1.2
100.95116	0.7
107.08633	0.9
133.10211	0.8
157.58458	0.7
170.72832	0.7
239.09514	0.7
251.17381	0.7
283.08255	1.0
293.20969	3.4
294.21579	1.2
301.09412	0.8
347.15097	3.4
365.16394	2.0
528.62238	0.8
599.24725	1.2
623.38849	1.2
641.38483	100.0
642.39099	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	641.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.7
65.00142	0.5
67.05506	0.9
70.06197	1.1
70.06551	1.4
72.63284	0.5
79.05505	0.7
81.07059	1.1
85.97522	0.5
91.05537	0.6
93.07052	0.9
95.08633	0.8
98.23317	0.8
105.06986	0.7
107.08615	0.6
119.08578	0.9
131.08591	0.7
133.10146	0.8
145.10078	0.6
166.28352	0.5
232.12402	0.6
275.19785	0.7
294.70795	0.5
334.16617	0.6
401.15137	0.5
415.15384	0.6
555.32898	0.8
597.26978	1.3
623.39050	0.9
641.38177	100.0
642.38458	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	641.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05534	0.3
58.04940	0.2
71.10420	0.3
79.05492	0.2
81.07063	0.4
93.07014	0.2
99.64288	0.3
105.06983	0.3
117.73450	0.2
121.10158	0.3
146.09677	1.1
244.07388	0.6
249.10971	0.3
275.20255	0.4
304.09344	1.3
331.18622	1.3
333.20313	1.3
529.31738	0.5
543.32544	0.7
559.32739	0.7
641.40234	100.0
642.40515	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	641.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31809	0.2
57.52925	0.3
59.18890	0.3
64.04872	0.3
64.21671	0.3
67.05506	0.4
69.07078	0.4
71.34913	0.4
72.43625	0.3
73.45934	0.2
79.05505	0.5
81.07056	0.6
90.52608	0.3
91.05480	0.5
93.07065	0.4
95.04985	0.5
95.08564	0.4
101.33792	0.2
105.07034	0.4
106.07401	0.3
109.10210	0.4
115.40629	0.2
123.73605	0.3
146.09673	0.3
158.75391	0.2
163.11284	0.3
168.97972	0.3
198.97523	0.3
275.20172	0.6
276.20493	0.6
278.22729	0.3
303.49753	0.3
304.09604	0.4
331.18661	1.3
333.20441	1.3
354.22049	0.3
389.71158	0.3
480.21536	0.4
485.75543	0.3
495.23831	1.1
529.31726	0.7
543.33057	1.2
559.33246	0.6
573.35565	0.3
581.27612	2.8
582.27838	0.4
623.39374	0.5
641.40192	100.0
642.30945	0.3
642.40515	7.3
648.55603	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05919	1.6
55.05515	22.0
57.03429	3.2
57.07079	15.5
59.05011	1.9
67.05509	26.1
69.03424	12.2
69.06707	4.0
69.07068	58.3
71.04997	3.4
71.08640	8.2
79.05492	14.0
81.03412	4.5
81.07059	100.0
82.07370	1.8
83.04982	2.0
83.08620	34.7
85.02901	15.7
85.06547	15.2
85.10209	2.3
87.04474	4.7
91.05489	8.6
93.07044	18.2
95.04973	4.7
95.08607	85.8
97.02900	13.9
97.06540	2.4
97.10166	26.2
98.04734	1.5
99.08066	9.2
103.05561	1.9
105.07040	6.5
107.04942	4.5
107.08596	22.3
108.06992	1.9
109.02879	4.9
109.06485	1.7
109.10163	54.1
111.08091	6.0
111.11720	26.1
113.09684	3.2
115.03945	6.2
119.04953	3.0
119.08573	6.7
121.06488	2.5
121.10131	14.9
123.08118	3.2
123.11699	38.2
125.09633	3.0
125.13231	11.3
131.08585	2.0
133.04990	4.6
133.10110	2.7
135.04395	2.3
135.11707	8.2
137.05981	2.6
137.09644	2.0
137.13242	19.5
139.11139	2.8
139.14897	2.1
141.12793	2.1
145.04979	2.3
149.05974	2.1
149.13254	24.4
151.07547	6.8
151.14781	10.8
153.01865	5.0
153.12784	2.2
161.02301	2.5
163.03917	5.4
163.11198	6.9
163.14796	15.2
165.05534	2.9
165.09137	11.2
165.16412	7.3
167.07080	6.9
167.14336	5.6
173.06009	2.3
175.07567	4.1
177.05534	2.4
177.16423	3.4
179.17982	3.9
181.04947	12.8
189.05460	3.5
191.10704	3.7
193.19502	5.5
205.12297	2.7
207.21147	3.6
219.21042	2.9
249.25844	3.4
265.25412	2.1
270.31308	1.7
271.06036	23.8
275.27399	13.2
281.04330	2.2
281.28336	6.6
281.57214	1.8
287.05496	97.9
288.05881	5.8
293.28387	54.3
293.31601	3.4
294.28729	2.0
311.29437	96.8
312.29831	4.9
323.05435	3.4
329.30508	41.4
347.31641	2.1
355.15308	6.9
385.12653	3.7
417.15222	2.4
461.16000	9.0
461.29126	3.9
479.17477	4.2
479.29987	2.6
623.24670	3.2
623.34009	7.7
633.69287	1.9
634.88281	2.0
641.35236	66.8
642.22437	2.2
642.34424	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	641.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01866	1.6
55.05510	21.8
57.03442	5.7
57.07073	15.9
59.04976	1.7
61.02936	1.3
65.03947	2.6
67.05506	31.1
69.03427	18.6
69.07066	65.7
69.25433	7.5
71.05000	1.6
71.08643	8.6
73.02908	2.5
79.05490	14.7
81.03438	2.8
81.07056	97.2
83.04971	1.4
83.08617	42.4
83.09098	2.7
85.02901	20.1
85.06531	11.8
85.10200	4.0
87.04468	9.8
90.44286	1.3
91.05459	7.9
93.07043	27.2
95.04971	3.9
95.08604	100.0
96.08974	1.9
97.02887	17.0
97.06531	4.9
97.10167	26.2
99.04457	1.9
99.08105	7.8
105.07034	6.2
107.04992	3.9
107.07854	1.6
107.08589	28.1
109.02888	3.0
109.06536	4.6
109.10157	69.1
110.10497	1.8
111.04430	1.8
111.08099	7.2
111.11716	26.0
113.09689	3.7
115.03924	15.8
115.05408	1.3
117.07022	2.3
119.04900	1.6
119.08582	4.2
121.06512	2.4
121.10146	17.6
123.08096	1.5
123.11704	44.5
125.09623	4.1
125.13260	13.1
127.03865	6.4
127.11253	1.5
129.07071	1.4
131.04927	3.0
131.08583	2.4
133.04973	15.0
133.06500	2.0
133.10176	4.0
135.04384	2.1
135.11684	15.5
137.05959	6.3
137.13240	19.4
139.11194	3.6
139.14844	4.2
141.12680	2.2
145.02788	1.3
145.04980	5.7
145.06540	2.6
145.10150	1.9
147.04408	2.1
147.08066	1.9
147.11682	2.9
149.05991	1.8
149.13249	45.1
151.03925	2.3
151.07574	4.4
151.14813	11.9
153.12773	4.1
153.16426	1.6
155.14284	2.8
159.11702	2.5
161.06076	1.8
161.09654	1.8
161.13205	1.9
163.03909	8.5
163.06064	1.5
163.07501	1.5
163.11203	1.7
163.14825	12.6
165.05542	2.8
165.09135	4.0
165.16397	10.8
167.07100	8.2
167.14308	15.6
169.15866	3.4
173.05991	3.6
175.11221	1.6
177.05447	2.0
177.09064	1.4
177.16388	4.9
179.07037	2.2
179.17926	8.5
181.05038	7.8
183.17445	2.1
191.07091	2.2
193.19577	8.0
200.33232	1.3
200.48737	1.3
201.05585	1.7
205.19521	2.6
219.21106	3.0
233.22522	1.5
237.22018	2.5
247.24130	2.9
249.25722	7.7
271.05963	7.4
273.26010	1.6
275.27304	26.7
287.05493	5.2
291.26785	2.6
293.28363	69.4
294.28802	2.9
295.10132	8.0
311.29434	30.3
312.29803	1.8
329.30585	3.7
353.28757	1.4
371.29324	3.3
385.12729	1.8
389.30585	3.1
407.31421	3.7
425.32526	2.5
429.54681	1.3
461.07861	1.7
479.09464	1.5
624.72906	1.6
641.23962	5.9
641.36151	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	641.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
54.19881	1.0
55.01869	2.2
55.05505	23.7
57.03427	4.7
57.07069	16.8
61.02925	2.1
65.03941	1.8
67.05502	30.4
69.03425	16.6
69.07065	60.4
69.82106	2.3
69.82491	1.8
71.05006	2.2
71.08627	10.5
73.02914	3.2
79.05490	13.3
80.05843	1.2
81.03432	3.9
81.07052	97.2
83.04974	1.9
83.08617	39.4
85.02901	20.1
85.06539	11.6
85.10178	4.0
87.04457	8.5
91.05473	6.2
93.07045	28.2
95.04961	4.8
95.08600	100.0
96.08966	1.2
97.02888	17.1
97.06535	3.7
97.10164	25.7
99.04431	1.8
99.08078	7.6
103.03935	1.0
105.07021	7.4
107.04942	2.8
107.08586	27.0
109.02882	2.2
109.06539	2.3
109.10149	70.4
110.10481	1.1
111.04425	2.0
111.08095	5.1
111.11707	23.8
113.09707	2.6
115.03918	11.2
115.05342	1.0
117.07024	2.2
119.08602	3.6
121.06465	1.3
121.10133	21.6
123.04482	1.9
123.08041	2.4
123.11696	43.3
125.05982	1.1
125.09616	3.9
125.13258	12.6
127.03938	4.8
127.11190	3.2
129.13196	1.1
131.04945	1.7
131.08559	2.6
133.04964	9.3
133.06491	1.3
133.10121	2.6
135.04457	1.9
135.08073	2.0
135.11699	16.3
137.06007	3.6
137.09650	2.5
137.13249	26.1
139.11171	2.9
139.14835	4.7
141.12740	3.5
145.04961	3.9
145.10130	2.9
147.08078	1.7
147.11708	2.4
149.13248	46.5
151.07558	4.1
151.14801	14.0
153.01811	5.1
153.12727	6.1
153.16370	2.2
155.14323	6.3
157.10123	1.5
159.11693	1.5
161.13240	2.2
163.03920	3.9
163.05998	2.5
163.14803	17.9
165.05440	1.6
165.09099	6.2
165.16408	10.9
167.07019	3.4
167.14311	19.7
167.18031	1.1
169.15898	3.6
173.13333	1.1
175.07550	1.5
177.05482	1.4
177.16412	4.5
179.17941	8.7
181.04953	2.7
181.15877	1.6
183.06274	1.0
183.17509	2.2
189.05270	1.9
189.12666	1.2
191.17914	6.2
193.08632	1.2
193.19514	7.8
197.18922	1.5
205.19583	4.8
207.21025	3.2
208.17473	1.2
211.20522	1.9
216.07526	1.2
217.04878	1.1
219.21129	6.4
219.23039	1.4
220.09772	2.4
221.09998	1.1
231.07768	1.1
233.07927	3.0
234.08426	1.8
237.22072	1.5
247.09430	2.5
247.24260	2.4
249.25793	8.9
257.04446	2.1
258.08911	1.6
263.27417	2.1
271.06052	7.7
275.27319	29.7
276.27805	1.3
281.28244	5.3
287.05591	2.2
293.28360	82.0
294.28793	2.7
295.10110	2.4
311.29379	14.9
317.28497	1.5
329.30594	14.1
355.15240	2.5
371.29352	1.8
383.29379	1.2
389.30609	1.7
401.30591	1.4
407.31485	1.5
413.15775	2.0
419.32114	1.7
437.32718	1.5
455.34070	1.5
479.09476	3.8
511.78357	1.2
515.31653	1.2
623.33716	1.3
641.25238	18.5
641.34772	10.8
642.25592	3.7
642.35437	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97093	0.2
55.01857	0.4
55.05501	0.5
64.73693	0.2
65.03924	0.3
67.05502	0.9
69.03410	0.7
69.07048	0.7
79.05483	1.0
79.97957	0.3
81.03426	0.8
81.07039	1.3
81.83203	0.3
83.04932	0.3
85.02899	0.9
85.06516	0.4
91.05479	2.1
93.07033	1.8
95.04958	1.5
95.08601	1.2
97.02879	1.5
97.06516	0.5
103.05461	1.1
105.07072	0.6
107.04944	0.9
107.08597	0.5
109.02900	0.3
109.06517	0.3
109.10152	0.6
115.05460	0.6
117.07005	0.8
119.08608	0.5
121.06501	3.1
121.10128	0.5
123.04453	0.6
123.11711	0.3
127.03908	0.5
130.06519	0.4
135.04443	0.5
137.05983	0.5
142.06505	0.7
143.07320	1.7
144.08037	0.8
145.06487	0.7
147.04419	0.3
149.05983	1.1
151.03870	0.4
153.01811	1.1
155.06010	0.4
163.03854	0.4
163.07568	0.4
165.05490	0.6
165.09138	0.7
167.07047	6.4
168.06848	0.3
168.08130	1.9
169.07611	100.0
170.07932	2.0
173.05995	1.2
181.04968	2.7
182.05292	0.4
182.08362	2.3
183.09172	1.1
184.07573	0.7
184.11331	0.5
185.10735	0.3
189.09451	0.3
191.07069	1.2
192.08119	0.7
195.09221	1.0
217.08759	0.3
219.09319	0.5
220.07520	0.9
220.11157	0.4
221.10728	0.7
225.07585	0.3
233.08104	0.5
235.08725	0.9
237.10237	2.3
247.08665	2.2
247.12288	0.9
248.07040	1.6
249.10263	0.6
250.07492	0.4
263.08099	2.6
265.09726	22.2
265.25403	0.4
266.10135	1.2
271.06012	0.3
281.09171	0.5
283.26245	0.4
287.05511	9.6
289.13306	0.5
291.14899	0.4
293.09238	0.4
301.07037	0.4
307.14478	1.4
317.12830	1.8
335.13889	60.2
336.14188	2.6
356.15771	0.3
363.13373	50.1
364.13580	2.1
385.12820	0.3
387.14377	0.6
417.15393	3.8
427.30902	0.5
468.53662	0.3
480.21039	0.7
497.19196	2.4
525.18652	7.1
577.97278	0.4
642.24030	1.2
642.35120	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.9
56.05028	2.8
57.07074	1.9
67.05495	3.7
69.07080	3.4
70.06572	2.8
71.07375	8.6
71.08614	2.5
79.05453	3.2
81.07040	6.5
86.09197	3.2
86.09704	55.2
88.07618	2.5
91.05492	2.0
93.07037	2.8
95.08587	5.4
97.06490	1.5
102.09164	2.2
104.10747	7.5
105.07010	2.8
107.08578	3.7
109.06509	3.6
109.10164	2.1
119.08557	3.7
121.10118	3.0
123.08070	12.1
124.93786	2.1
133.10118	2.7
135.08005	3.8
135.11597	1.5
146.98169	26.8
147.11700	1.5
149.02296	4.8
159.11679	1.7
175.14830	2.2
179.14334	14.7
193.04947	6.4
198.97481	3.4
222.27690	1.4
223.93646	1.4
261.44748	1.5
284.29510	5.2
286.99042	8.2
287.99384	2.4
293.21118	1.8
331.18604	1.8
331.25916	3.2
337.27246	2.7
341.06577	1.8
349.27222	3.4
385.09100	5.4
405.29904	4.8
427.28140	13.6
459.30807	100.0
460.31421	3.1
518.86847	1.3
522.25336	3.3
551.27197	4.3
583.30078	89.5
584.29797	5.1
642.26648	8.0
642.36847	51.2
643.14417	7.6
643.37421	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	643.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.1
53.03949	0.5
55.01874	0.3
61.02923	0.2
63.02383	0.4
66.46296	0.1
67.93000	0.1
69.03427	0.8
70.13444	0.1
71.04983	0.3
71.73721	0.1
79.05478	0.9
80.69557	0.1
81.03425	2.7
81.07065	0.2
85.02892	1.2
89.03915	3.7
89.04460	0.2
91.05453	0.2
95.04974	0.3
97.02892	0.6
99.04474	0.3
107.04970	1.5
107.08652	0.1
109.02882	1.1
117.03384	5.2
120.08119	0.2
127.03924	0.5
135.04419	11.2
135.11732	0.1
137.05954	0.2
140.07036	0.3
145.02847	9.9
146.03221	0.3
151.03822	0.2
152.32834	0.2
153.01884	0.7
163.03903	100.0
164.04248	1.2
164.07014	0.2
181.04945	4.0
182.08128	0.3
196.62560	0.2
265.06992	0.2
271.05792	0.2
283.15259	0.2
287.05475	1.2
289.06961	0.2
297.03851	0.8
302.12360	0.2
307.08136	3.2
325.09171	7.6
326.09586	0.3
444.32974	0.2
464.15054	0.2
481.11169	0.6
643.19751	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	0.2
53.92212	0.2
55.01864	0.3
55.05487	0.2
55.58163	0.2
65.03912	0.3
67.01860	0.4
67.05481	0.6
68.99801	0.5
69.03432	0.4
69.07061	0.5
69.88000	0.6
78.04679	0.2
79.05482	0.7
81.03410	1.0
81.07055	0.9
83.04990	0.3
83.08601	0.5
85.02886	0.6
85.06532	0.4
86.09708	0.2
87.39710	0.2
91.05005	0.2
91.05460	1.1
93.07029	0.6
95.04959	0.5
95.08601	0.8
97.02905	0.3
103.05481	0.6
105.07030	0.7
107.04934	0.6
107.08568	0.4
109.02884	0.3
109.06507	0.2
109.10139	0.6
115.05455	0.4
117.07009	0.7
119.04925	1.5
119.08540	0.3
121.02908	0.9
121.10149	0.3
122.03652	0.2
123.04447	0.7
127.03939	0.5
131.04869	0.4
131.08577	0.4
133.06543	0.2
133.10088	0.6
135.04475	0.4
135.08104	0.3
137.06004	0.4
137.09546	0.2
138.84816	0.2
145.02834	0.9
145.06465	0.9
147.08092	0.3
147.11739	0.3
153.01830	8.3
153.03075	0.5
153.05463	0.4
155.06036	0.4
163.03941	1.1
163.07533	0.4
165.01823	0.3
165.09084	0.4
167.07037	9.0
167.08467	0.5
171.02875	0.8
173.05962	1.5
177.05457	0.3
179.03438	0.4
181.04961	3.5
191.07068	1.0
193.12198	0.5
195.03120	0.3
197.05989	0.2
203.07076	0.4
205.08621	0.4
211.13374	0.9
213.05389	0.4
219.02927	0.2
219.10251	0.2
225.05464	0.6
225.07538	0.2
229.04875	0.2
233.08034	0.5
235.09621	0.6
243.06462	0.3
263.09079	0.4
271.05994	100.0
272.06339	3.6
283.26498	0.2
287.05450	1.3
301.06915	0.2
335.09222	0.2
383.71713	0.2
387.14304	0.7
417.10205	0.4
417.15427	4.5
433.10406	0.2
469.37585	0.2
612.16962	0.2
625.24048	0.3
643.23560	1.5
643.36633	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90707	0.4
60.37401	0.4
69.06641	0.4
71.21874	0.6
95.20409	0.4
110.60013	0.4
131.67200	0.4
169.12312	0.4
191.44102	0.4
396.12250	1.1
397.13000	1.2
398.13663	0.8
409.13242	0.5
410.13754	2.8
411.14590	5.3
412.15308	3.0
413.16028	2.2
423.14505	1.3
424.10999	1.0
424.15460	1.7
425.16257	10.8
426.16882	8.7
427.17279	2.4
428.18372	0.8
437.16617	0.5
438.13278	2.6
438.17673	1.1
439.13574	12.6
439.19028	0.7
440.13120	0.7
440.19006	4.8
441.19330	29.9
442.19516	3.1
451.13928	0.7
452.14032	1.8
453.15353	13.9
454.15921	4.7
457.15024	0.6
463.14352	0.8
465.15427	0.6
466.11987	0.8
467.17145	24.2
468.17905	12.3
469.18802	12.6
470.19244	1.0
471.16525	1.1
478.16714	0.6
481.14703	13.6
482.15500	3.7
485.18137	0.6
495.15637	2.9
496.17188	13.5
497.17972	3.1
498.18567	0.6
499.19748	0.4
509.18182	2.2
510.18301	0.6
512.20697	0.7
513.21667	0.6
514.22021	1.6
522.18341	0.5
523.19452	1.7
524.20129	0.5
525.17902	0.6
527.23743	2.5
528.23395	0.6
540.20087	0.6
542.21802	0.8
555.22437	21.5
556.22461	2.4
568.19043	0.6
583.21899	100.0
584.22150	12.9
586.20532	0.6
587.25006	1.2
611.21222	2.2
614.24060	0.6
615.24554	9.1
616.24481	1.5
643.23932	75.6
644.24139	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	643.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56676	0.8
53.27179	0.6
69.47586	1.4
69.47971	1.8
81.07056	1.0
83.96483	0.6
95.08565	0.7
98.22685	1.5
101.02444	0.6
104.91756	0.6
126.25431	0.6
185.27097	0.8
320.43967	0.6
330.51709	0.6
416.69098	0.7
598.12616	0.7
643.25256	100.0
644.25519	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	643.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76046	1.4
69.07053	1.8
70.02332	1.2
70.02683	3.8
79.05499	2.3
79.45186	1.2
79.62328	1.4
81.07048	2.8
91.05491	1.7
92.09447	1.2
93.07047	2.5
94.06573	4.8
95.04990	1.9
95.07327	1.6
95.08615	2.7
96.08118	4.7
98.23326	1.8
105.07033	2.0
108.04466	1.6
108.08132	9.3
109.10143	2.1
110.09671	7.8
116.04911	2.3
120.04496	3.2
120.08104	6.1
122.06030	3.2
124.07570	7.3
127.03945	1.3
134.06017	2.8
136.07579	5.8
138.05424	1.2
138.09117	11.8
144.04480	3.3
146.05997	4.1
148.07558	2.8
153.01833	24.8
160.03922	1.7
162.05524	3.6
163.03929	3.6
164.07053	2.1
165.01805	1.4
165.09079	3.1
166.08588	11.6
172.03937	20.1
174.05553	1.7
176.07066	3.0
177.01816	4.1
183.21527	1.5
190.04997	15.0
196.09967	1.7
197.10811	2.4
204.06540	34.2
210.09227	2.4
211.08624	2.6
211.62737	1.4
212.09425	2.1
213.10211	1.4
219.02934	6.4
225.10236	8.8
227.11729	12.8
231.02852	1.6
236.09457	1.4
237.10254	3.3
238.11046	1.8
239.11807	4.2
241.09613	1.5
241.13286	1.6
243.02797	1.5
251.11729	3.0
253.09723	6.3
253.13142	1.5
255.11462	2.1
261.03949	1.9
264.08820	2.6
265.09610	2.2
267.11252	3.3
269.12802	13.8
271.06198	2.5
271.10690	7.9
273.12265	7.0
279.11258	3.7
283.10736	4.4
284.11462	3.8
285.12378	5.3
287.05453	2.9
287.13937	16.0
295.10791	2.8
297.06055	1.8
297.12341	10.6
299.13928	4.0
313.12012	1.7
314.12772	2.4
316.14316	2.4
323.10202	5.1
325.11829	21.2
326.12784	2.1
327.13434	5.0
328.10889	1.9
330.16031	3.1
342.12390	6.0
343.12924	7.2
355.13022	2.0
356.13742	6.0
357.14459	8.8
358.15317	2.4
370.15466	4.0
379.32022	1.4
382.11938	2.0
383.12555	3.0
384.13416	3.1
385.14117	3.3
386.18579	4.2
390.18036	1.5
398.14948	16.2
399.15707	24.6
400.16248	2.3
402.18365	1.9
404.16037	3.6
412.16159	2.0
414.18115	4.5
416.15952	17.6
417.16333	1.7
428.16245	3.1
430.17529	2.8
440.15833	5.2
446.17099	12.4
447.17252	1.6
458.17059	36.3
478.19537	2.4
490.19955	7.0
565.24896	2.5
567.26105	3.8
569.23926	5.3
583.25092	3.4
593.24438	6.9
611.24982	100.0
612.25024	5.0
642.46106	5.7
643.25684	3.1
643.37097	6.3
643.46130	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	643.397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.6
58.96007	1.3
63.03986	1.5
67.05502	3.1
69.03384	1.3
70.48367	1.5
81.07054	3.9
87.94981	1.3
91.05490	1.5
95.08607	2.0
105.07050	2.1
107.08613	2.1
121.10108	1.6
124.46281	1.5
127.44474	1.5
175.28963	1.6
192.47527	1.6
315.25320	1.5
337.27332	1.8
542.21277	1.6
557.33905	2.1
571.06451	2.0
625.40033	2.7
643.39789	100.0
644.40491	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	643.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06838	0.4
55.05525	0.5
57.59502	0.5
67.05501	1.2
69.07094	0.7
69.46970	1.5
79.05487	1.0
81.00416	0.5
81.07047	0.8
91.05484	0.5
93.07065	1.0
95.08604	1.0
98.22618	0.4
105.07010	0.5
106.06586	0.8
110.02255	0.5
124.68915	0.5
161.46999	0.4
171.11775	0.5
198.97496	0.5
204.04236	1.1
220.03745	1.1
286.99170	0.9
315.19357	2.0
330.91840	0.6
335.26166	0.5
336.26276	0.9
351.21472	3.3
365.33731	0.4
425.16296	0.6
441.19269	1.5
467.17224	1.1
481.15250	0.8
496.17450	0.9
545.22919	0.8
555.22382	0.7
583.21960	3.3
584.21619	0.6
643.24115	3.0
643.41772	100.0
644.25189	0.6
644.42371	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	643.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17899	0.4
55.05498	0.5
62.47081	0.4
67.05501	2.0
69.07066	0.5
69.42097	2.1
79.05489	0.8
81.07073	2.1
91.05489	0.9
91.91470	0.4
93.07048	1.1
95.08607	1.1
105.07031	0.7
106.06546	1.3
107.06895	0.6
107.08585	0.9
116.13139	0.4
118.98566	0.4
119.08586	0.5
122.06036	1.2
125.00024	0.9
138.41211	0.4
204.04214	2.0
205.04610	0.6
210.95116	0.4
220.03662	2.1
221.04095	0.9
286.99115	1.4
295.16516	1.7
315.19464	1.4
330.91647	0.8
335.25949	0.6
336.26169	1.2
351.21436	3.9
411.14645	0.8
412.14914	1.0
425.16180	1.6
426.16959	1.0
440.18567	0.5
441.19324	2.9
453.15509	1.0
454.16110	0.6
467.17877	0.6
468.17947	1.6
469.18671	3.9
470.18817	0.6
481.14545	2.9
482.15900	1.0
496.17334	2.8
497.17917	1.6
527.23029	0.8
539.29987	0.6
545.22266	0.5
555.22302	1.6
561.32233	1.2
583.21838	15.5
583.73840	0.5
584.22687	2.3
615.24249	0.6
625.40649	0.6
643.25574	11.4
643.41705	100.0
644.24939	2.3
644.42175	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	643.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
64.93095	0.3
67.05508	0.7
69.34212	0.6
69.34607	1.1
79.05479	0.4
81.07047	0.4
86.57744	0.4
91.05479	0.5
105.44836	0.3
105.63763	0.3
119.08586	0.4
121.10172	0.3
158.85066	0.3
170.85896	0.3
198.92293	0.3
249.11009	0.4
275.65607	0.3
282.78674	0.3
297.39413	0.3
331.18881	0.9
335.22049	1.1
355.61115	0.4
361.15317	0.3
529.31714	0.5
543.32977	0.6
545.22272	0.4
581.27606	0.4
625.40948	0.6
643.41711	100.0
644.42029	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	643.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61784	0.7
69.80611	2.4
95.01987	1.0
98.23407	1.2
122.07875	0.8
188.87680	0.8
257.12244	1.0
287.05435	2.2
315.18417	3.6
333.20358	100.0
334.20474	3.5
347.16772	0.9
351.20264	4.8
494.85669	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22696	0.5
51.69355	0.5
55.47731	0.5
66.87058	0.5
67.05512	1.1
69.07082	0.5
69.13331	0.5
69.61992	1.8
77.00925	2.2
79.05499	1.7
81.07063	0.6
85.02918	3.9
91.03177	0.5
91.05490	0.9
93.30733	0.5
95.04981	0.6
95.08654	0.6
97.02924	1.0
105.07026	0.7
105.25542	0.5
107.08625	1.1
119.08656	0.8
121.10152	0.6
127.03983	0.6
137.09637	0.6
145.04988	2.0
153.01910	0.6
187.08224	0.8
201.09753	1.7
208.52942	0.6
213.09798	2.0
215.11272	3.6
219.10837	0.9
224.66023	0.5
227.11378	1.9
231.10841	2.2
233.12431	0.6
245.12444	1.8
251.11435	0.9
257.12238	0.7
257.22687	1.9
269.12451	1.7
303.23337	1.2
315.18283	3.0
333.20337	100.0
334.20618	2.3
351.20203	7.9
352.21155	0.7
374.21875	1.8
643.39752	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80824	0.4
68.93430	0.4
70.76616	0.5
73.35690	0.5
77.00902	2.3
81.07055	0.8
95.01961	0.6
99.76518	0.4
116.07800	0.4
141.03957	0.8
155.05577	0.7
169.07057	0.6
173.06660	0.9
183.08661	0.9
187.08154	1.0
190.20384	0.4
195.08760	0.5
197.10353	0.6
201.09729	2.6
207.05069	0.5
209.10268	0.9
211.08006	0.5
215.09337	0.8
215.11349	2.7
219.10837	1.2
223.11790	0.5
227.11293	1.4
233.10272	1.1
235.11842	0.9
239.11301	3.5
241.12868	1.3
243.14182	0.4
249.09869	0.4
251.11234	7.4
253.12875	4.5
254.54765	0.4
257.12292	3.4
263.11334	0.8
267.10834	1.4
269.12357	10.4
270.12833	0.5
271.13803	2.2
274.12933	0.6
281.12454	0.5
291.18021	0.5
292.13879	0.6
315.18021	3.5
333.20346	100.0
334.20624	1.9
351.20178	13.5
352.20572	0.6
356.20621	0.4
374.21701	1.3
433.24347	0.8
447.25885	5.2
463.25125	0.5
545.33167	1.8
598.23511	0.5
623.57080	0.5
643.40350	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99459	0.8
55.01889	1.6
55.05516	0.7
57.03446	1.4
58.74474	0.6
59.21194	0.7
61.02945	1.1
65.37872	0.8
67.05502	1.8
69.03436	3.8
69.07095	0.9
69.13982	1.3
69.14392	3.1
69.88751	0.7
70.06599	1.1
71.04989	0.8
74.55238	0.7
79.05502	2.9
81.03426	2.8
81.07056	2.2
85.02911	6.8
85.06542	0.8
87.04491	1.4
91.05475	6.4
93.07058	4.0
95.04961	4.0
95.08627	1.2
97.02908	2.5
97.06535	1.1
98.22715	1.8
99.04452	0.8
103.05464	3.2
105.07011	4.4
106.02918	2.6
107.04968	7.5
107.08618	2.4
109.02893	1.7
109.06543	1.8
111.04500	1.8
115.03896	0.9
115.05482	1.2
119.04922	3.9
119.08596	1.6
121.02838	1.1
121.06499	5.1
122.03683	1.0
123.04430	3.5
123.11713	1.1
124.03919	3.9
125.05931	1.3
127.03972	2.2
128.06239	1.7
129.07013	6.1
131.04924	4.6
131.08601	2.4
133.02913	1.2
133.06499	3.0
133.10188	0.9
135.04411	1.2
135.08069	1.5
137.05977	14.8
140.04720	2.1
145.02867	1.7
145.06509	2.1
145.10184	1.2
146.07277	1.2
147.04395	4.0
147.08057	1.3
147.11671	1.3
149.06026	3.0
149.09705	1.0
151.03897	1.5
151.07538	7.1
151.11133	1.0
152.04716	1.3
153.05457	4.1
153.12793	1.0
155.07042	4.3
157.06468	6.1
159.08047	1.3
161.05965	13.1
161.09604	4.2
163.03905	9.6
163.07544	7.4
163.11180	1.5
164.04265	2.9
165.05521	1.2
165.09157	3.4
166.06277	2.7
167.07042	39.1
167.08473	2.1
169.08632	1.6
173.06081	1.7
174.06787	3.5
175.07558	6.6
177.05550	1.3
177.09128	3.6
178.40556	0.9
179.07039	3.6
181.05042	1.0
181.08594	26.8
187.07568	3.6
189.09093	25.1
191.07047	2.6
191.08653	1.5
191.10680	1.8
193.06755	1.2
193.08623	2.0
195.08044	1.1
197.09723	1.2
203.10536	1.1
207.10144	4.3
208.08807	1.0
210.06828	1.0
211.09741	1.3
219.08292	1.3
219.10028	4.3
221.06090	1.1
223.07603	2.1
225.09093	4.2
227.07169	1.4
227.12746	2.3
236.08311	1.5
237.09244	1.3
240.07779	1.5
247.07526	1.4
250.07158	1.8
251.07030	1.6
251.10712	2.2
253.08574	3.1
255.06522	1.8
255.10167	1.9
257.11771	5.2
265.08633	1.7
267.10190	2.5
268.08231	2.0
269.08142	1.1
270.08902	1.8
271.09680	2.1
279.10223	2.2
283.09717	4.1
283.13321	2.9
285.10999	7.9
285.14017	1.6
285.16974	7.2
285.20209	1.6
297.11218	1.9
299.09213	1.4
299.12656	1.6
302.11380	1.2
311.12625	4.7
315.12231	5.7
317.13885	5.5
320.14700	0.9
323.12897	1.6
328.12637	0.9
329.14105	1.8
334.71973	0.8
341.13931	3.4
343.15457	9.7
346.14243	2.6
353.16083	1.9
359.14709	3.7
360.15659	15.8
361.16431	61.3
362.16885	2.3
372.15298	1.5
373.16287	1.4
417.18823	1.4
422.07822	0.9
435.20142	100.0
436.20593	3.7
447.20551	1.7
488.99210	1.0
575.60486	0.9
578.20209	0.9
644.25128	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.3
67.05508	2.3
69.03424	4.1
69.07067	1.4
70.06578	1.4
70.72688	1.5
70.73056	2.1
71.04979	1.9
71.71034	1.3
78.03452	1.1
78.19400	1.2
79.05505	5.3
80.91726	1.3
81.03431	2.9
81.07058	3.8
85.02891	7.8
87.04472	1.8
91.05488	7.8
92.91448	1.2
93.07059	7.0
95.04972	5.2
97.02907	3.6
97.06589	1.1
98.22807	1.8
99.04443	1.5
103.05491	5.0
105.03458	1.3
105.07021	7.4
106.02929	4.4
106.04192	1.8
107.04955	9.8
107.08588	2.4
109.02892	1.6
109.06528	3.3
111.04443	1.5
115.05465	1.4
117.07021	1.4
119.04951	5.2
119.08592	1.3
121.02820	1.8
121.06488	8.8
123.04448	5.6
124.03986	5.3
125.05975	2.2
127.03921	2.2
129.07008	7.1
130.77106	1.2
131.04935	5.5
131.08540	3.2
133.06480	3.3
135.04442	2.7
135.08095	3.3
135.11682	1.4
137.05968	24.8
137.13252	1.2
140.04698	3.2
145.06482	3.5
147.04387	6.2
149.06035	3.7
149.09622	2.0
151.03848	1.9
151.07544	10.1
151.11194	2.0
153.05453	4.3
155.07056	5.0
157.06451	10.8
158.07356	1.6
159.08078	2.0
161.05983	20.2
161.09653	5.4
163.03922	15.1
163.07516	10.3
163.11098	1.6
164.04282	3.6
165.05557	1.9
165.09131	3.5
166.06303	2.9
167.07037	55.1
167.08459	2.6
169.08594	2.6
173.05919	2.8
174.06729	6.5
175.07573	10.5
177.05460	3.1
177.09129	4.9
179.07059	4.7
181.05040	1.3
181.08594	34.1
181.10106	2.3
187.07565	4.3
189.09105	34.0
191.07021	3.2
191.08781	1.6
191.10660	2.7
193.08633	2.0
193.12135	1.6
194.07277	1.4
195.08122	1.9
195.10027	1.4
197.09677	1.4
207.10199	4.4
211.09686	1.4
219.08076	3.7
219.10234	4.3
223.07608	2.1
223.11165	2.0
225.09126	4.5
227.12718	1.5
229.12453	1.3
235.07549	2.0
236.08350	1.6
237.09113	1.8
239.06888	2.0
239.10814	1.8
240.07791	2.0
241.08598	1.8
242.09494	1.6
247.07571	2.8
250.07198	1.3
251.07109	1.5
251.10753	2.8
253.08546	5.8
254.09288	1.4
255.10143	1.9
257.11819	4.4
265.08466	2.0
267.10214	2.5
268.07944	3.3
269.08069	2.1
270.08807	2.8
271.09396	1.4
279.10242	4.1
282.08777	1.5
283.09708	6.6
283.13293	3.5
285.11038	10.3
285.16885	8.8
285.20184	1.7
291.10373	2.0
293.64630	1.2
295.09537	1.7
296.10263	1.4
297.11099	2.2
299.09265	1.9
299.12857	1.6
302.11459	2.3
303.12283	1.6
309.11285	1.3
311.12766	4.7
315.12265	6.6
316.12997	2.1
317.13794	7.0
323.12900	1.7
329.13855	2.2
331.15268	2.3
341.13837	3.2
342.14276	1.3
343.15366	9.4
346.14114	5.2
359.14880	4.8
360.15643	18.3
361.16415	69.7
362.16846	2.9
380.89929	1.3
435.20142	100.0
436.20493	4.1
462.63577	1.3
474.92786	1.3
578.19891	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.4
51.02381	0.5
53.03941	2.2
55.01874	1.2
55.05508	6.4
57.03436	2.5
57.07067	1.5
59.04994	1.3
61.02919	1.6
65.03938	1.7
67.05202	0.5
67.05508	4.5
69.03430	10.3
69.07067	6.6
69.25212	1.5
69.25617	0.9
71.04970	1.0
73.02913	1.3
77.03915	1.3
79.05489	18.9
81.03416	1.9
81.07056	10.5
82.07378	0.8
83.04965	1.4
83.08614	1.7
85.02903	9.8
85.06522	0.6
86.09701	0.7
87.04472	5.3
89.03906	3.2
91.03945	0.7
91.05475	20.8
91.51169	0.4
93.07041	93.2
94.07336	0.5
95.04966	9.2
95.08026	0.6
95.08603	6.5
96.08957	0.7
97.02893	9.3
97.06515	1.6
97.10151	1.3
99.04433	0.8
103.05443	1.4
105.04514	4.0
105.06345	0.7
105.07030	10.3
105.07728	0.7
107.04944	2.5
107.08588	100.0
108.08925	1.6
109.02861	0.8
109.06520	4.2
109.10147	5.9
111.04449	1.4
111.08079	0.9
111.11717	1.0
115.03925	8.2
117.03356	5.1
117.07016	2.3
117.56716	0.4
119.06086	2.2
119.08566	4.2
121.06479	1.3
121.10145	6.2
123.04432	3.1
123.11691	2.8
125.05972	0.8
127.03895	2.1
129.06958	0.9
131.04889	1.9
131.08560	3.2
133.04962	8.0
133.06493	0.8
133.10117	3.8
135.04411	11.8
135.08084	1.4
135.11685	98.8
136.12054	1.9
137.05983	1.6
137.09619	0.6
137.13234	1.7
139.03923	0.6
139.07518	0.4
143.08536	1.2
145.02847	9.9
145.04840	2.4
145.06506	0.7
145.10095	1.9
147.04359	1.4
147.08037	0.6
147.11668	3.2
148.04974	0.5
149.05945	1.5
149.13257	1.4
151.03917	1.2
151.07498	0.8
153.01857	2.0
153.12735	2.2
155.08540	0.6
157.06445	0.5
157.10069	1.1
159.06555	0.4
159.07947	0.6
159.11671	4.7
161.05948	1.6
161.13173	0.9
163.03894	86.8
164.04202	1.7
165.01836	0.5
165.09056	1.3
167.07040	1.1
171.11624	0.6
173.05960	1.2
173.08069	0.9
173.13229	1.0
175.07504	0.9
175.11182	0.7
177.01888	0.8
177.05460	1.2
177.09108	0.6
177.12732	6.0
181.04953	20.0
185.08128	0.5
185.13203	0.6
187.07564	1.0
189.05475	0.6
189.09123	0.7
189.12714	0.6
191.07018	1.7
191.10638	0.6
193.04913	1.4
194.08815	0.4
195.07941	0.9
195.11681	0.7
197.08067	0.4
199.07520	1.2
201.09071	0.6
201.12698	0.7
203.06908	0.6
205.12242	2.2
209.08054	0.8
213.09059	2.0
213.12663	0.5
215.06937	0.7
219.02759	1.3
219.13814	1.0
227.06897	0.6
231.13670	1.0
241.06775	0.5
243.13652	0.6
245.08127	0.5
248.24608	0.5
249.14738	1.2
259.09753	1.0
261.14801	0.8
267.13535	0.6
267.15973	6.0
267.26877	0.9
269.15356	4.6
271.06024	0.9
279.16019	0.5
285.27774	0.8
287.05405	0.5
294.28976	0.5
295.10321	1.4
297.14520	0.8
297.17325	0.6
315.15839	12.5
355.15060	0.6
394.45377	0.5
447.31036	0.5
528.77185	0.5
644.25391	0.6
644.35229	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
54.79655	0.3
55.01868	1.0
55.05509	3.6
57.03180	0.5
57.03438	5.2
60.32720	0.3
61.02923	5.5
63.55767	0.3
65.03948	0.5
67.05159	0.5
67.05502	6.2
69.03429	2.9
69.07069	2.4
69.87234	0.3
69.87573	0.7
71.04996	1.7
73.02914	2.6
77.03909	0.3
79.05487	7.2
81.03416	24.8
81.07054	8.0
83.04981	5.7
83.08617	9.6
85.02905	15.7
85.03325	0.3
85.06559	0.6
87.04451	0.5
91.03954	5.0
91.05478	8.9
93.07043	6.0
95.04967	9.1
95.08606	4.2
97.02891	5.3
97.03494	0.5
97.06512	1.4
97.10171	1.1
99.04453	0.6
99.08086	0.8
105.07029	6.8
105.07729	0.4
107.04956	2.6
107.08597	3.5
109.02922	0.5
109.06512	1.4
109.10150	0.8
111.04434	0.8
111.08076	4.6
113.05991	1.0
115.03925	1.0
115.05477	0.5
117.07012	0.6
119.04955	0.4
119.08589	5.7
121.06496	0.4
121.10142	3.5
123.08051	1.1
123.11613	0.7
125.09659	0.6
127.03907	2.1
129.07005	3.5
131.08578	3.7
133.04965	0.8
133.06493	1.1
133.10118	3.9
135.11691	1.1
137.09612	0.5
142.07806	0.8
145.04962	2.6
145.10086	0.5
147.04393	0.3
147.08022	1.3
147.11682	7.5
149.09587	2.8
153.12753	2.5
157.10126	6.1
163.03876	0.7
163.06035	2.9
163.11147	0.6
165.12767	1.5
171.13721	0.4
175.11188	6.4
193.12234	22.6
194.12630	0.9
211.13286	17.6
212.13641	0.5
229.14310	0.6
235.13371	0.3
242.97966	0.3
253.14343	0.4
267.15918	5.8
272.68582	0.3
285.16956	100.0
286.17331	4.1
309.17056	0.3
325.11453	0.3
340.02750	0.3
411.20175	0.4
429.21350	1.8
447.22281	3.1
535.20001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94230	0.5
53.03918	0.8
55.01865	0.7
55.05509	5.7
57.03441	4.6
60.61830	0.5
61.02927	9.0
65.03944	0.8
67.05511	6.9
69.03434	3.3
69.07063	2.1
69.12039	0.5
71.04995	1.7
73.02918	3.3
77.53046	0.6
79.05491	8.4
81.03419	31.1
81.07059	8.9
82.07370	0.6
83.04982	7.2
83.08620	12.6
85.02908	17.5
91.03952	7.5
91.05478	9.9
93.07059	6.6
95.04972	13.1
95.08588	3.0
96.96445	0.5
97.02885	7.3
97.06528	1.5
97.10167	1.7
99.04467	0.9
105.07019	6.7
107.04938	3.1
107.08599	2.8
109.02910	0.8
109.06526	1.7
109.10168	1.3
111.04445	1.6
111.08096	6.4
113.06017	1.3
115.03936	0.6
115.05473	1.1
117.07014	0.6
119.04937	0.7
119.08595	7.1
121.06525	1.0
121.10146	3.5
123.08102	1.0
123.11683	0.7
125.09663	1.0
127.03909	2.5
129.06993	3.4
131.04913	0.6
131.08577	5.8
133.06508	1.5
133.10136	4.3
135.04451	0.7
135.11684	0.8
137.05952	4.8
138.06267	0.7
142.07782	1.2
145.04985	3.0
147.04399	0.7
147.08075	1.4
147.10550	0.9
147.11681	7.9
149.09631	2.9
153.01909	0.7
153.05486	1.5
153.12801	1.3
157.10136	8.0
163.03900	2.3
163.06000	4.9
165.12776	2.0
175.11171	8.3
193.12248	35.1
194.12614	1.4
211.13293	28.9
212.13655	0.8
229.14301	1.4
267.15921	17.9
276.87808	0.7
285.16971	100.0
286.17358	2.8
297.11276	0.7
303.18024	1.9
357.52600	0.6
429.21170	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.1
53.03935	2.1
55.01869	1.4
55.05513	4.4
55.62321	0.4
57.03432	8.1
57.03691	0.6
57.07063	0.6
59.04995	2.3
60.04522	0.6
61.02922	3.1
64.36201	0.4
65.03935	1.3
67.05503	4.0
69.03427	28.9
69.07066	4.0
70.84116	0.6
71.01376	0.5
71.04996	0.5
73.02914	2.9
77.03928	1.6
79.05491	13.6
81.03407	3.6
81.07053	9.0
82.32675	0.5
83.04972	2.7
83.08620	0.8
85.02901	41.2
87.04465	17.4
91.03955	1.9
91.05477	20.7
93.07042	88.4
94.07375	1.5
95.04967	7.4
95.08604	13.9
97.02889	30.1
97.06519	2.7
98.03239	0.5
98.22807	0.5
99.04444	2.5
103.03948	1.0
105.04522	2.7
105.07025	8.3
107.08589	100.0
108.08924	2.1
109.02891	3.8
109.06523	3.6
109.10159	3.6
111.04422	0.5
115.03927	31.3
117.07024	1.3
119.06091	2.4
119.08577	4.0
121.06499	0.9
121.10149	5.6
123.04405	0.7
123.08050	0.5
123.11727	1.3
127.03916	11.1
131.08572	1.6
133.04961	27.5
133.10097	3.4
135.01929	0.4
135.04448	0.4
135.11687	98.7
136.12041	3.3
137.05963	0.4
137.13261	2.9
143.08578	1.2
145.04956	15.2
145.10114	1.8
145.11990	0.5
147.08067	0.5
147.11647	2.3
149.13254	1.2
150.07602	1.5
151.11183	0.6
153.12740	19.3
154.83467	0.4
157.10156	1.6
159.08029	0.6
159.11687	2.4
161.09581	0.7
163.03923	0.9
163.06021	8.7
163.07426	0.5
165.12766	0.9
167.07100	0.4
169.04895	1.0
171.11748	0.6
173.08081	1.2
173.13206	0.7
175.03650	0.4
175.06007	0.7
175.11189	1.2
176.59877	0.5
177.12729	5.9
191.10844	0.6
195.13841	0.5
200.08626	0.5
201.12759	1.3
213.12801	0.8
219.13768	1.5
219.84268	0.4
223.05988	1.1
231.13777	1.5
241.07079	1.2
249.14844	1.9
255.15747	0.5
259.08078	5.8
261.14871	0.7
267.15881	5.4
277.09109	1.8
279.15790	1.8
285.16928	0.5
289.09183	0.5
289.94385	0.5
295.10233	8.5
297.16931	2.9
315.17795	0.9
325.11282	5.0
325.17609	0.5
343.03101	0.5
387.22879	0.5
601.79053	0.5
644.24335	0.7
667.17590	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	3.0
59.41204	1.3
67.05491	2.3
71.07379	9.0
71.08144	1.7
79.05515	1.7
81.07058	2.5
86.09706	54.0
93.07067	1.6
95.08581	1.6
96.91479	1.2
104.10735	3.9
105.07001	2.0
107.08601	1.8
109.06483	1.4
123.08076	2.4
146.98154	1.8
162.95581	24.4
179.14253	6.8
247.37769	1.3
275.60281	1.5
296.11856	1.4
331.26154	1.6
403.14673	1.6
412.92502	1.4
461.26636	36.1
567.24524	2.2
585.25922	100.0
586.25977	5.1
644.33282	38.0
645.33112	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	646.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.9
53.03944	1.7
55.01872	1.4
55.05516	1.2
57.03458	1.1
57.90793	0.8
59.05016	1.3
59.34320	0.8
67.05486	4.4
69.03429	2.1
71.01353	3.7
71.45445	1.2
77.03909	1.5
79.05497	16.1
81.03420	4.8
81.07064	3.0
83.05000	1.2
85.02905	3.4
91.05473	6.8
91.45024	0.8
93.07034	5.9
95.04969	13.1
95.08603	2.5
97.02896	2.6
97.06515	1.0
99.04467	0.9
103.03969	2.0
103.05472	5.9
105.03399	3.0
105.04513	3.1
105.07018	2.6
105.83513	0.9
107.04951	100.0
107.08598	1.7
109.02885	12.7
109.06493	4.9
111.04446	3.3
115.05515	0.9
117.07043	1.1
119.08554	1.1
119.28231	0.9
121.06498	10.8
121.10105	1.3
122.45578	0.8
123.04437	3.3
125.02360	3.6
125.06009	1.3
127.03925	3.2
131.04919	5.9
131.08574	1.3
133.02838	2.8
135.04411	4.6
137.05995	3.3
139.03885	13.7
139.07578	1.2
141.05498	1.0
145.09927	0.7
149.05984	9.8
151.03906	10.3
153.05487	3.0
159.04381	4.4
163.07588	2.7
165.05473	68.4
167.07042	21.7
177.05466	23.0
179.07074	1.0
181.08522	1.3
183.06544	1.0
191.07045	6.0
195.06573	8.1
197.06421	1.2
197.08049	6.7
209.08076	38.9
223.09642	2.3
227.09128	13.6
235.42822	0.8
287.05505	2.7
288.05826	2.3
321.09708	2.3
339.10629	2.1
353.12274	1.2
366.08600	0.9
371.13101	1.5
579.20264	1.3
645.36908	1.2
646.26288	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	646.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.2
55.05515	2.6
67.05504	4.4
69.03414	4.0
69.07063	1.8
71.04987	3.4
71.43835	1.7
77.03934	2.2
79.05486	10.9
81.03417	3.8
81.07040	5.8
83.01357	1.3
83.04989	1.4
85.02922	6.4
85.06537	4.7
87.04454	1.8
91.05471	13.5
93.07046	6.1
95.04971	9.4
95.08606	3.2
97.02893	3.4
97.06532	2.2
103.03964	2.2
103.05469	5.1
105.03374	3.8
105.04509	2.2
105.07022	8.5
107.04942	10.6
107.08566	3.9
109.02880	3.7
109.06519	10.1
109.10191	2.3
111.04453	1.9
115.03955	2.2
115.05418	7.5
116.06225	3.6
117.07060	5.9
119.04958	4.1
119.08607	3.7
121.02844	2.0
121.06505	10.7
121.10102	1.9
123.04394	2.6
127.04008	1.4
128.06216	9.4
129.07013	13.2
130.04985	1.9
131.04939	6.0
131.08582	5.3
133.02824	4.1
133.06462	5.0
133.10147	1.3
135.04399	5.5
135.08075	1.5
137.02350	1.3
137.05977	16.8
139.03894	8.5
141.06990	5.1
142.07788	1.7
143.04880	2.1
143.08542	7.3
144.05687	9.5
145.02786	1.6
145.06474	5.9
147.04419	5.2
147.08073	2.4
149.02361	1.8
149.05971	4.1
151.03903	10.4
151.07529	1.3
152.06175	1.8
153.01833	4.8
153.05653	1.4
153.06972	6.6
154.07738	2.2
155.08539	4.7
157.06490	7.5
157.10112	2.0
158.07253	2.0
159.04433	4.7
159.08087	2.7
161.05962	6.2
163.03885	11.8
163.07581	3.6
165.05492	100.0
165.06964	10.2
166.05853	2.0
166.07808	6.1
167.07022	6.4
167.08549	4.5
168.05632	1.9
169.06445	3.0
169.10091	1.5
171.02809	1.6
171.04422	1.4
171.08029	5.7
173.06010	2.5
175.03893	2.9
175.07538	3.5
176.04704	1.9
177.05492	4.9
178.07745	3.1
179.03471	1.4
179.07057	32.5
179.08574	3.7
181.04944	3.6
181.06509	6.4
181.08749	1.2
181.10081	7.5
183.04381	1.8
183.08043	3.2
185.05974	12.2
185.09618	2.7
187.03853	1.5
187.07515	2.6
189.05446	8.4
189.06978	1.8
190.07776	2.9
191.07021	2.8
191.08589	5.8
193.06500	2.4
194.07292	3.5
195.08070	3.1
197.06226	2.1
197.08075	12.1
197.09674	2.2
199.07503	6.0
199.11299	1.9
201.05487	3.6
203.03419	3.8
203.07042	6.6
203.08725	2.1
203.10878	1.2
205.10129	4.5
207.08084	3.2
209.06128	7.5
209.09685	8.6
211.07573	2.8
213.05472	9.4
213.09099	4.1
215.06931	3.0
215.08745	2.0
217.05009	8.6
217.08630	4.2
217.12158	2.1
218.07265	1.7
219.08095	3.6
221.09763	1.8
223.11191	1.8
225.05486	1.7
225.09041	3.0
227.07027	10.6
227.10664	3.2
229.04988	2.9
231.06497	2.5
233.09833	6.1
235.07613	2.1
235.09583	2.4
236.08464	1.6
237.05603	5.9
237.09097	8.1
239.07095	2.0
241.08664	2.8
245.04488	5.6
245.07991	8.5
246.05260	1.8
247.07607	1.5
249.05260	1.9
251.10721	4.5
252.06897	1.5
253.08632	3.3
255.06499	20.5
255.10214	4.7
261.09116	6.3
265.05066	2.6
265.08591	12.4
269.08072	4.4
269.11658	3.3
271.05914	1.7
273.11136	1.3
277.06992	2.5
279.07281	1.3
279.10156	8.8
280.06244	1.6
283.06027	11.4
283.09637	5.1
285.07687	2.5
287.05502	19.9
287.09134	14.0
287.12457	2.5
289.08517	4.4
293.11658	1.8
297.07581	4.7
297.11218	10.4
301.07156	1.6
307.09668	6.1
311.12640	2.3
313.10809	2.4
315.08588	36.2
315.12271	17.8
317.07947	1.9
321.11026	2.5
325.10684	2.9
329.10077	4.6
329.13742	22.1
333.09644	3.5
335.09091	5.8
339.12274	8.1
347.11191	17.6
349.10608	4.9
353.10226	4.3
357.13324	3.6
361.12860	7.2
367.11728	31.0
369.13553	1.4
371.14847	3.3
381.13300	6.9
385.12665	8.6
399.14410	20.7
400.14523	2.0
417.10522	1.7
417.15329	9.5
431.17117	3.1
437.16150	1.5
646.38135	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	646.328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77081	0.4
53.03945	1.5
55.01873	0.9
55.05503	3.3
56.68563	0.5
56.71236	0.5
57.03433	6.3
57.07071	1.7
59.05006	2.7
61.02928	2.5
65.03919	0.6
67.05501	7.8
69.03426	18.8
69.07063	8.5
69.47665	1.4
69.48052	1.1
71.01356	0.6
71.04974	1.1
73.02914	5.1
73.06588	0.7
79.05492	5.4
81.03422	2.5
81.07053	100.0
83.08626	2.5
85.02900	29.7
85.06537	4.8
87.04462	8.6
87.92648	0.5
91.03957	0.8
91.05522	1.0
93.07045	3.5
95.04972	1.2
95.08602	35.1
96.08968	0.6
97.02893	20.5
97.06555	0.8
97.10151	0.8
99.04458	1.8
99.08080	5.3
105.07024	2.6
107.04924	0.6
107.08598	1.7
109.02862	2.7
109.06543	0.7
109.10165	1.9
111.04467	1.1
111.08109	0.9
111.11712	4.2
115.03922	18.5
117.06989	0.7
119.08566	1.1
121.06496	0.7
121.10196	0.9
123.04448	0.9
123.08033	0.8
123.11697	0.9
125.06019	0.5
127.03920	6.5
131.08600	0.7
133.03954	0.9
133.04955	16.3
133.10144	0.9
137.05962	0.6
137.13245	50.1
138.13589	0.5
143.08554	0.7
144.26720	0.5
145.04939	10.1
147.11641	1.3
149.05971	0.6
149.13266	1.9
150.07629	0.9
153.01843	2.0
154.02164	1.0
155.14296	27.9
159.11659	0.7
161.13283	1.5
163.03961	1.1
163.06024	7.9
163.07341	0.8
165.12778	1.5
167.14316	0.8
169.04916	0.7
173.15367	6.2
179.05644	0.6
179.14458	0.7
191.14386	0.7
215.14249	0.6
221.15311	0.7
233.15428	1.3
239.16496	1.8
241.07167	1.4
251.16368	2.8
259.08096	3.5
263.16486	1.8
269.17383	2.5
277.09317	0.9
281.17502	2.1
287.18555	2.1
289.09161	0.6
295.10141	5.0
299.18594	1.2
299.98431	0.5
305.14996	1.3
317.16229	0.9
317.19464	3.6
325.11282	2.7
335.20581	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.10862	1.1
68.84004	0.8
76.84557	0.8
77.19482	0.8
79.05482	0.8
81.07056	2.8
85.02917	0.8
91.05454	1.5
93.07058	1.2
95.04982	1.1
95.08595	2.2
97.06533	1.0
99.08089	1.7
105.07032	1.6
105.41998	1.0
107.08621	1.2
109.10143	1.7
119.08558	1.1
119.55547	0.8
121.10159	1.2
135.11697	0.9
147.08183	0.8
147.11644	1.3
153.01796	1.7
167.10713	1.4
187.36638	1.0
215.06996	1.1
259.09662	1.8
271.06134	0.9
365.16388	0.9
634.73291	0.9
647.20807	100.0
647.37787	2.7
648.21057	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	647.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01864	2.3
55.05508	4.9
57.03436	2.6
57.07072	1.0
61.02921	4.0
65.03915	1.7
66.94440	0.7
67.05492	7.1
69.03432	10.1
69.07076	4.7
69.19694	5.3
70.25498	0.8
71.04980	1.3
73.02911	2.2
77.03938	0.8
79.05050	1.1
79.05492	12.3
81.03410	4.9
81.07053	45.2
82.47749	0.8
83.04978	2.4
83.08625	3.0
85.02903	47.1
85.06504	0.8
87.04476	1.2
91.03941	1.8
91.05457	7.0
93.07048	15.5
95.04953	3.6
95.08607	23.1
96.08945	1.0
97.02889	11.9
97.06524	2.6
97.10178	1.3
99.04454	1.7
99.08083	1.3
103.05450	1.0
105.07025	12.9
107.04943	1.5
107.08591	32.2
109.02895	5.2
109.06495	2.5
109.10156	12.9
111.08062	7.0
117.07021	1.8
119.08568	14.0
121.06501	1.6
121.10137	12.7
123.08041	1.2
123.11711	5.5
125.05949	1.9
125.09628	37.9
126.09996	1.1
127.03906	12.6
131.08549	7.0
133.10123	13.4
135.08089	1.4
135.11684	9.0
136.12068	1.4
137.06006	2.3
137.09613	3.2
137.13229	1.9
139.03905	1.8
139.11220	1.7
143.08543	2.7
145.04959	14.5
145.10120	11.1
147.11684	11.5
149.13257	10.5
149.72021	1.1
151.03914	1.3
151.07512	1.0
151.11172	3.5
153.01865	1.3
153.05431	4.0
157.10103	4.3
159.11708	9.5
161.13255	8.7
163.03912	7.8
163.06007	4.6
163.07253	1.1
163.11177	2.0
163.14830	2.9
164.07091	1.1
165.05507	1.3
165.09131	1.5
165.12755	1.7
167.07028	1.2
171.11668	3.7
173.13232	8.9
175.14818	8.7
177.05438	1.0
177.16348	2.1
179.07076	1.1
179.14314	1.3
181.06357	1.0
185.13255	3.0
187.14839	6.1
189.16382	5.8
191.14211	0.9
193.15907	1.8
199.14824	2.9
201.16353	3.8
203.05257	1.7
203.17912	1.6
205.15877	8.7
206.16690	1.9
207.17442	1.5
209.08098	1.3
209.11765	1.8
213.16331	3.5
215.17978	1.5
217.15948	2.0
217.19656	1.0
219.17494	4.7
227.17952	3.5
229.19521	10.4
231.17450	1.3
247.20561	4.8
257.22626	3.9
259.09674	1.4
259.24216	1.7
269.22604	11.7
271.06125	0.9
271.24133	1.0
275.23755	1.4
287.05463	2.5
287.23691	33.0
305.24738	100.0
306.25064	5.5
323.25870	2.6
379.18826	0.9
413.30392	2.6
431.31583	2.5
448.61432	0.9
467.29602	4.1
593.36414	1.2
647.26349	8.0
647.35773	22.3
648.26196	1.0
648.36346	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38192	0.3
53.33791	0.3
54.43912	0.2
55.05518	0.4
69.85790	0.5
69.86121	0.5
74.06099	0.2
77.00904	1.1
79.05463	0.4
81.07062	0.4
90.89883	0.3
91.05476	0.4
93.07030	0.6
95.01963	0.6
95.08644	0.5
97.06543	0.4
105.07014	0.5
107.04949	0.3
107.08596	0.6
109.10167	0.3
119.08577	0.3
121.10160	0.5
133.10150	0.3
145.10153	0.4
167.10724	0.4
169.07098	0.5
175.11295	0.3
181.12192	0.4
183.08652	0.3
185.03720	0.3
187.08195	0.7
201.09657	1.4
213.09630	0.4
215.11351	0.9
219.10835	0.6
221.11630	0.4
227.11180	0.5
233.10234	0.5
233.12355	0.4
239.11353	1.7
241.12798	0.7
243.14334	0.3
251.11226	3.8
253.12910	1.2
257.12378	1.9
269.12335	7.5
271.13947	0.7
274.12784	0.6
292.13977	0.7
317.19547	1.8
335.21902	100.0
336.22168	4.4
340.12744	0.3
353.21698	10.0
354.21820	0.5
358.22498	0.3
376.23398	0.9
447.26105	0.7
465.84235	0.3
529.33765	0.7
547.34949	0.6
629.42267	0.5
647.44427	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	648.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.05508	20.8
57.03436	6.2
57.07075	22.4
59.04999	1.4
60.04514	0.6
61.02921	1.2
69.03428	19.9
69.07066	21.4
69.07447	1.2
69.55628	1.0
69.56010	1.0
71.05013	0.5
71.08637	3.9
73.02907	0.7
81.03417	1.1
81.07054	6.5
83.08617	89.6
84.08951	1.1
85.02905	22.1
87.04462	10.0
89.36116	0.6
91.03999	0.8
93.18113	0.5
94.83090	0.5
97.02888	18.6
97.10165	18.3
98.22742	1.0
99.04462	0.7
101.09636	0.7
109.02890	1.1
111.11731	0.7
113.13284	0.7
115.03928	15.0
127.03897	4.5
133.04955	11.9
139.14803	2.2
141.72137	0.6
145.04964	6.3
150.07605	1.3
157.15874	43.4
163.06030	3.4
175.16928	100.0
176.17252	1.9
241.07059	0.9
259.08102	1.9
295.10178	2.3
325.11221	1.9
337.22104	4.3
428.94144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
53.98631	0.3
55.01873	1.4
55.05279	0.3
55.05502	1.9
57.03434	2.9
61.02925	5.7
67.05499	4.7
69.03428	12.0
69.07067	4.7
70.88373	0.4
71.05000	1.6
73.02914	1.7
79.05483	3.3
81.03421	4.4
81.07052	16.0
83.01329	0.5
83.04967	0.4
83.08602	1.7
85.02901	63.5
86.03230	0.4
87.04462	1.3
90.10674	0.3
91.03957	2.7
91.05473	2.7
93.07037	7.7
95.04942	0.4
95.08602	18.4
97.02251	0.7
97.02886	15.0
97.10165	1.5
99.04461	3.2
100.03998	0.3
103.03923	0.6
105.07019	11.2
107.08593	8.0
109.02880	5.3
109.06561	0.4
109.10152	12.1
111.11708	4.3
111.12399	0.5
115.03951	0.9
117.06993	0.4
119.08571	6.7
121.10138	5.7
123.11704	3.6
125.13263	0.7
127.03909	14.7
131.08580	1.4
133.10123	12.0
135.11696	5.7
137.13228	1.6
142.62894	0.3
143.08568	0.4
144.06558	0.5
145.04951	25.6
145.10085	2.0
147.11682	6.1
149.13243	6.5
159.11658	1.9
161.13258	12.9
163.04631	0.4
163.06012	13.7
163.14821	2.7
173.13269	1.6
175.14816	13.8
177.16385	1.7
180.08719	0.4
187.14830	1.6
189.16373	44.7
190.16736	0.8
191.17958	0.7
199.14946	0.4
201.16394	3.2
203.17995	0.5
204.08566	0.5
205.19510	0.6
207.17416	1.1
215.17924	4.3
220.81630	0.3
229.19554	1.3
231.21065	0.8
243.21028	0.6
245.22734	0.5
259.24554	0.3
269.22601	0.9
271.24182	100.0
272.24576	2.2
278.29074	0.4
287.23672	0.6
289.09189	0.9
289.25241	25.0
290.25589	0.6
301.25168	0.4
313.25385	0.4
325.11288	4.6
397.27145	0.6
400.35297	0.3
407.35657	0.3
415.28455	1.4
421.29364	0.4
433.29333	0.6
451.30823	1.9
565.90558	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.4
55.05508	4.4
57.03440	3.5
57.74493	1.8
59.42389	1.8
61.02925	3.5
67.05501	8.3
69.03428	9.9
69.07069	8.1
69.23872	2.7
69.24286	7.4
73.02908	2.1
79.05490	7.7
81.03413	5.1
81.07062	21.4
83.08625	4.8
85.02901	72.3
91.03965	2.0
91.05476	6.8
93.07047	12.1
95.04959	4.1
95.08604	18.8
97.02897	17.6
98.22681	3.8
99.04466	2.7
105.07038	13.7
107.04930	6.5
107.08596	18.3
109.02888	8.1
109.10161	18.6
113.44831	1.7
119.08591	25.8
121.10136	18.7
123.11705	9.8
125.09651	8.6
127.03918	20.6
131.08589	6.0
133.10115	11.9
135.11723	12.0
136.97925	1.7
137.13252	3.9
145.04955	36.6
145.10152	8.4
147.11682	18.5
149.13245	7.9
151.11191	2.1
159.11662	7.8
161.13211	14.3
163.03902	4.2
163.06010	17.8
163.14848	9.3
167.07042	2.8
167.12010	1.7
173.13255	4.9
175.14815	10.5
177.16405	27.5
187.14828	7.2
189.16382	18.7
190.17072	3.3
191.17955	5.1
201.16362	8.1
201.55928	1.7
203.17947	11.2
209.08177	2.1
215.17952	4.7
229.19591	3.6
271.24194	100.0
272.24445	2.5
289.25253	21.0
325.11371	8.0
402.45016	1.9
648.27820	3.5
648.38690	2.1
649.37799	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
62.14064	0.2
69.03458	0.4
69.51494	0.4
69.51880	0.5
70.36020	0.2
85.02934	0.3
89.03931	0.3
93.07082	0.2
97.02892	0.2
98.97592	0.2
107.04952	0.3
107.08608	0.4
108.07993	0.2
109.02888	0.3
117.03381	0.2
127.03815	0.3
130.37190	0.2
135.04474	0.6
137.05984	0.3
146.84875	0.2
156.11292	0.2
160.97420	0.3
163.03914	2.6
165.05510	0.6
177.91263	0.2
185.04173	0.3
203.05298	0.3
251.08969	0.2
275.07324	0.4
317.08612	0.7
333.07843	1.4
335.09497	6.6
337.16336	0.8
355.17331	0.6
391.58734	0.2
400.79492	0.2
469.20801	0.3
471.21906	1.0
480.19781	0.3
487.21423	1.4
517.22430	1.3
559.23596	0.4
605.18341	0.6
610.10126	0.3
649.26764	100.0
650.27179	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	649.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.3
51.02379	0.8
53.03942	2.7
55.01871	2.3
55.05510	3.7
55.08096	0.4
57.03432	0.9
57.07071	0.5
59.04999	4.0
65.03932	1.3
65.82426	0.4
67.05503	13.5
69.03423	4.5
69.07059	2.8
71.01338	2.0
71.04986	1.6
73.02907	0.4
76.62830	0.4
77.03919	1.7
79.05492	20.8
81.03419	11.8
81.03896	0.6
81.07057	12.3
83.01340	0.6
83.04987	2.3
83.08624	1.0
85.02904	2.5
85.06546	0.9
87.04494	0.4
91.05478	12.8
93.07044	14.8
94.07350	0.3
95.01310	1.0
95.04966	22.3
95.08608	8.4
97.02898	4.7
97.06530	1.8
97.10168	1.0
99.04453	1.2
99.08130	0.5
103.03949	1.4
103.05462	6.1
105.03394	1.5
105.04509	3.4
105.07028	7.6
107.04952	100.0
107.08585	5.2
108.05299	1.2
109.02876	40.1
109.06522	5.4
109.10159	3.9
110.03249	0.3
111.04455	2.8
111.08098	0.9
115.03929	0.4
117.07023	3.6
118.97025	0.4
119.08582	4.9
121.06500	11.0
121.10141	4.4
123.04425	5.4
123.08031	0.7
123.11708	1.8
125.02377	4.5
125.05977	1.4
125.09649	1.0
127.03910	2.2
128.06207	0.8
129.07001	2.1
130.07761	0.4
131.04935	3.7
131.08556	4.0
133.02850	3.4
133.06520	0.8
133.10118	3.9
135.04413	4.0
135.08057	1.3
135.11685	2.6
137.06001	2.2
137.13284	0.5
139.03905	15.0
139.07486	1.7
139.11136	0.5
141.05478	0.9
141.07004	0.7
142.07710	0.5
143.08580	2.1
145.06476	0.5
145.10124	3.7
147.04398	0.5
147.08061	0.7
147.11687	2.7
149.02322	0.4
149.05974	15.8
149.09610	0.7
149.13269	1.3
151.03905	19.8
151.07570	0.5
153.05435	2.2
153.09114	0.4
155.08562	1.3
157.10153	1.9
159.04431	2.0
159.08041	0.7
159.11646	2.6
159.57800	0.3
161.09608	0.6
161.13277	1.4
163.07529	0.4
163.11162	0.9
163.14870	0.6
165.05472	68.7
166.05836	1.1
167.07036	18.9
167.08455	0.7
168.07387	0.5
169.10130	0.9
171.08089	1.1
171.11673	1.3
173.09697	0.5
173.13229	2.3
175.11180	0.6
175.14902	0.6
177.05463	42.4
178.05798	0.6
181.04831	0.3
181.08562	0.8
181.10043	0.6
183.06564	0.4
183.08005	0.4
183.11693	0.7
184.07333	0.9
185.09651	0.5
185.13268	1.1
187.11179	0.7
187.14798	0.8
189.12709	0.4
191.07004	1.3
191.10715	0.4
191.14287	0.5
193.12201	0.3
195.06519	15.7
195.11617	0.4
197.13181	0.6
199.11127	0.6
199.14729	0.9
201.12630	0.5
203.14404	0.3
206.08005	0.6
209.08083	33.3
209.15405	1.0
210.08453	0.6
211.11119	0.5
211.14920	0.4
213.16368	0.5
219.13808	0.4
227.09126	15.5
227.16364	0.4
259.20554	0.9
261.22195	1.9
271.20569	0.6
275.50067	0.4
277.21707	0.8
285.22141	0.5
289.17935	0.5
291.23166	0.5
301.21606	0.7
303.23166	1.4
313.21066	0.3
315.23099	0.4
323.23572	0.4
327.23264	0.4
341.24673	1.2
351.22980	1.4
369.24316	2.9
387.25339	2.8
405.26294	2.8
419.25571	0.6
649.37915	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3758
Annotation	Hydratoperidinin
Peak:m/z	Relative Intensity
56.96572	0.5
56.99875	0.4
67.06052	0.5
88.07640	0.6
91.05514	0.6
93.07047	0.5
95.08614	0.5
98.22698	1.3
105.07079	0.6
110.74415	0.4
119.08544	0.7
193.04967	0.9
228.23195	0.5
253.07309	0.8
256.26279	0.7
263.09467	0.6
274.77545	0.5
286.08630	1.1
315.11142	1.9
315.16382	1.3
318.07504	3.0
333.17453	1.2
353.14105	0.7
355.16330	41.4
356.16580	0.7
363.94839	0.5
373.16583	7.0
373.20981	0.8
613.35388	33.3
614.36023	2.1
631.36401	40.9
632.36810	2.9
649.37506	100.0
650.37964	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84858	0.5
67.74673	0.5
81.07806	0.5
91.05506	0.5
111.87794	0.5
195.77342	0.5
228.23543	0.6
229.01537	2.2
243.03006	0.9
247.02586	1.0
275.09171	2.5
281.10474	0.7
286.08517	6.7
286.11456	0.5
299.29407	0.5
304.09546	10.6
304.12811	0.6
318.07495	28.1
327.11368	1.4
333.17590	0.6
336.08698	2.6
351.34991	0.5
355.16306	59.9
356.16803	1.5
359.10199	1.0
373.16550	9.0
373.21832	1.0
396.18155	2.4
579.29639	1.5
602.06580	0.6
613.35339	13.7
614.36151	0.7
631.36407	26.5
632.36780	1.5
649.37500	100.0
650.37506	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	649.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96541	1.5
57.36155	0.7
82.87029	0.6
112.46510	0.7
181.12138	0.7
317.20886	1.6
333.17426	5.0
351.18442	5.9
355.16440	96.4
356.16806	3.0
373.16644	7.1
427.17487	1.0
479.25998	1.1
511.27667	0.9
527.26501	2.2
649.37500	100.0
650.37952	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	650.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81881	0.6
53.03930	1.5
55.01867	3.1
55.05501	2.2
57.03434	1.0
60.84573	0.7
65.03925	0.6
66.50767	0.6
67.05489	1.1
69.03425	3.6
69.07063	3.1
71.04989	1.9
76.92934	0.6
78.04703	1.0
79.05489	5.4
81.03426	5.7
81.07057	8.1
83.04977	1.6
83.08627	4.6
84.08957	1.5
85.02896	3.1
85.06546	1.0
89.03898	0.7
91.05473	5.5
93.07039	9.8
95.04956	3.5
95.08582	3.3
97.02898	4.0
97.06531	3.9
97.10148	1.0
99.04453	3.7
103.05465	5.5
105.04523	0.8
105.07024	7.9
106.04153	1.2
107.04982	3.8
107.08593	12.0
108.04457	1.6
109.02867	9.5
109.06518	2.8
111.04448	0.6
111.08059	1.9
113.06003	1.6
115.03908	0.9
117.03350	1.6
117.06998	1.2
119.04943	1.3
119.08591	2.1
121.06498	14.6
121.10126	8.0
122.03622	0.8
123.04429	3.2
123.08062	2.2
124.05220	0.9
125.06023	0.6
127.03926	4.9
127.07549	0.9
131.04903	6.2
131.08553	1.1
133.02835	1.7
134.03670	1.2
135.04388	2.0
135.08038	2.0
135.11687	3.9
137.05984	8.1
139.07506	0.6
139.11148	1.0
140.04663	2.6
145.02835	1.5
145.04993	0.7
145.10089	6.6
147.04311	1.3
147.08011	0.7
147.11705	1.4
148.05171	1.5
149.05978	16.6
149.09634	3.4
150.06442	0.6
151.03883	2.6
151.07535	3.4
152.04636	1.3
153.05438	0.8
155.07013	3.4
157.15883	2.8
158.16113	0.7
159.04404	4.5
163.03922	3.7
163.07541	1.3
163.11172	21.0
165.05449	1.9
165.60475	0.6
167.07033	100.0
167.10684	5.6
168.07428	1.4
169.08595	20.6
169.10017	1.3
171.57936	0.6
173.09622	1.3
175.16943	5.4
176.04703	1.2
176.17227	1.8
177.05469	40.3
178.05959	1.3
181.08635	1.1
181.12248	5.2
185.11719	0.9
191.06999	2.8
191.10660	9.6
194.05754	2.1
195.06445	1.5
197.08173	3.2
209.06439	0.5
209.08089	31.0
209.11644	10.8
227.09143	75.2
227.12646	27.2
228.09457	1.5
244.35265	0.7
255.12285	1.3
269.13959	1.8
277.10629	0.7
289.14365	2.3
317.13669	1.5
335.14853	2.8
353.15933	19.8
354.16495	1.0
371.17041	4.8
461.20322	0.7
650.29474	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.7
53.03943	4.5
55.01871	4.4
55.05506	15.5
57.03437	3.4
59.04994	4.5
65.03929	2.0
67.05502	39.1
68.51897	1.1
69.03430	10.4
69.07064	2.9
69.62746	2.9
69.63121	1.9
71.01354	2.9
71.04984	3.6
73.02915	3.4
77.03926	1.8
79.05492	28.5
81.03417	16.6
81.07049	14.6
82.33504	1.0
83.04983	4.9
83.08636	7.3
85.02899	14.4
85.06517	2.2
87.04452	2.3
91.05479	15.9
93.07043	13.2
95.01308	1.4
95.04967	26.1
95.05531	2.1
95.08597	9.2
97.02910	6.5
97.06535	2.6
97.10178	6.8
99.04439	2.7
103.03934	2.1
103.05466	8.0
105.03415	1.4
105.04521	2.7
105.07039	5.4
107.04948	100.0
107.08591	6.8
109.02879	28.8
109.06525	10.8
109.10146	24.8
110.10402	1.2
111.04454	2.2
111.08101	4.4
119.04951	2.1
119.08579	4.3
121.06499	13.6
121.10147	3.9
123.04461	6.0
123.08066	1.6
123.11735	1.7
125.02364	4.9
125.09619	12.0
127.03923	7.8
131.04929	5.1
131.08566	1.5
133.02832	3.8
133.10123	3.1
135.04413	7.1
135.08121	1.6
135.11699	1.6
137.06018	6.6
137.09619	1.8
139.03894	20.6
139.07512	1.6
143.10657	3.2
145.10147	2.1
147.04413	3.5
147.11685	2.2
149.05965	14.3
149.09575	1.8
151.03914	17.1
151.07510	1.3
153.05463	4.7
153.12766	1.4
155.10721	2.3
157.10088	1.3
159.04466	3.0
159.11667	1.3
163.03915	3.9
163.11168	2.6
165.05472	72.0
167.07028	29.6
167.08327	2.1
173.04449	3.3
173.11737	21.1
175.03920	3.4
175.11224	2.5
177.05473	23.3
179.07037	1.5
191.07014	2.8
193.05034	2.5
193.12244	4.8
195.06514	10.3
207.06544	2.6
209.08089	28.5
209.11658	2.9
211.13268	10.1
225.07579	4.4
227.09177	8.9
227.12758	3.2
359.48248	1.3
502.18124	1.4
619.19812	2.5
620.71167	1.3
635.68054	1.5
644.02167	1.2
649.38202	3.5
650.22388	2.2
650.38788	10.4
651.22388	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	650.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.5
54.27102	1.6
55.01886	3.0
55.05512	2.9
57.03442	6.8
57.03697	1.6
57.06813	1.5
61.02926	10.5
67.05511	4.9
69.03432	19.9
69.07080	3.8
71.05000	4.0
73.02916	3.5
77.03991	1.7
79.05504	6.2
81.03425	6.7
81.07055	25.9
85.02907	100.0
87.04486	2.6
91.03965	3.2
91.05461	8.8
93.07041	17.2
95.05018	3.9
95.08607	20.8
97.02885	17.1
97.06519	2.0
99.04465	6.4
105.07034	19.4
107.08595	26.4
109.02894	8.3
109.06526	6.1
109.10149	8.6
109.64623	1.6
111.08051	1.8
117.07054	4.4
119.08581	29.8
121.06506	8.3
121.10152	17.2
123.08059	2.9
123.11694	4.1
127.03912	19.3
129.06990	3.7
131.08569	9.4
133.10147	15.3
135.08055	9.0
135.11708	9.7
142.07736	2.2
143.08572	7.5
145.04965	17.5
145.10141	13.0
147.08075	3.5
147.11681	14.4
149.09651	6.9
149.13292	6.2
155.08574	2.7
156.09363	3.2
157.10077	8.8
159.11694	14.1
160.12399	1.9
161.09654	8.0
161.13266	17.9
163.06055	4.1
163.14848	14.1
169.10143	3.6
170.10963	3.5
171.11732	8.8
172.74275	1.7
173.09636	4.7
173.13275	11.4
175.11269	4.9
175.14839	26.3
177.09103	2.0
177.12762	4.8
177.16379	19.4
183.11737	3.9
184.07417	2.6
185.13280	13.9
187.11168	4.0
187.14867	7.8
189.12733	8.1
189.16350	3.9
191.14317	2.8
195.11755	3.6
197.13327	3.1
199.11307	2.1
201.12762	2.5
201.16365	3.1
203.14310	26.8
203.17947	3.5
205.15924	11.5
209.13318	3.0
211.14920	2.3
213.12779	4.9
213.16527	1.9
215.14395	2.9
215.17928	2.0
219.17526	3.5
221.15407	6.0
221.99785	1.6
225.16397	2.1
227.14201	2.1
227.18066	1.7
229.15863	2.1
231.17493	6.1
233.15419	2.7
237.16373	3.4
239.17979	3.4
241.19493	2.5
249.14984	3.1
251.16466	5.0
253.19562	3.3
265.19589	1.9
267.17346	2.9
269.18973	2.0
271.20682	3.9
273.22186	2.2
293.19131	2.2
297.21948	1.8
299.23764	2.8
304.10422	1.7
361.28958	6.6
363.26871	2.5
365.28296	4.3
371.27380	2.1
379.30206	9.4
381.27722	3.3
389.28412	24.1
407.29474	76.4
408.29742	5.3
409.27393	3.0
417.27646	2.4
425.30511	60.3
426.30841	5.6
427.28293	6.5
435.29031	19.1
436.29196	2.3
453.30038	22.7
454.30048	2.6
458.23630	2.2
471.31183	7.4
580.56763	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	650.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.3
54.88437	2.1
55.01872	9.8
55.05507	18.7
57.03438	6.8
57.07078	2.5
57.64616	2.4
65.03955	3.3
67.05508	33.9
69.03412	4.7
69.07071	34.9
69.40953	3.6
69.41369	7.0
69.68336	2.1
71.04994	11.7
79.05494	46.3
80.61833	2.4
81.03416	6.1
81.07059	39.9
83.04971	7.2
83.08617	9.8
86.56916	2.5
91.05471	31.5
93.07045	27.4
95.04959	15.3
95.08609	11.0
97.06532	100.0
97.10166	6.1
97.62597	2.6
98.06876	2.7
98.22746	4.7
99.08089	3.1
105.04527	3.1
105.07021	25.4
107.04928	12.8
107.08591	22.0
109.06542	13.2
109.10152	7.4
111.08083	5.5
115.07536	18.5
117.07006	18.3
119.08544	18.0
121.06523	10.7
121.10155	7.8
123.08057	5.6
125.09626	7.3
129.07014	9.9
131.08589	15.5
133.06494	5.4
133.10129	18.5
135.08064	13.6
135.11684	10.1
137.05901	3.5
141.07031	2.9
143.08560	7.3
145.06514	2.9
145.10124	7.2
147.08025	9.3
147.11690	4.0
149.09637	2.7
149.13333	3.2
151.11174	3.4
153.09058	2.5
157.10139	7.5
159.08047	5.5
159.11670	5.4
161.09633	10.4
163.07570	3.6
163.11119	4.8
169.10165	5.7
171.11696	4.8
172.42705	2.3
173.09618	6.2
173.13239	3.5
175.11229	4.5
177.12788	9.5
185.13214	5.9
189.11232	3.2
193.12256	17.7
195.13795	2.7
205.12355	2.7
210.33720	2.2
217.15860	4.9
221.15416	3.9
227.12830	6.2
233.15607	2.2
245.18941	4.7
249.14691	2.5
255.17514	3.9
261.18594	2.6
265.73239	2.4
271.16849	6.2
273.18448	24.0
284.52576	2.1
289.18018	28.6
291.19543	28.4
307.19077	8.7
377.08017	2.4
395.36371	2.3
427.89966	2.6
483.31369	3.3
559.23401	2.7
615.39093	2.9
619.24915	3.4
666.65894	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	651.2814
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
50.71252	1.0
53.72665	0.7
55.66325	0.8
67.05530	1.1
72.64635	0.8
86.11354	0.8
95.08604	0.9
121.76863	0.7
146.27164	0.8
151.13303	0.9
153.67319	0.8
157.99957	0.9
352.61176	0.9
361.50653	0.9
377.17709	1.3
386.15283	1.1
390.19122	0.9
391.19379	3.4
399.16217	2.4
400.17044	2.7
401.17413	5.2
405.21002	2.1
406.21027	1.1
407.22327	3.9
413.17963	3.1
414.18707	5.1
415.19284	10.4
416.19934	3.2
417.21118	1.4
419.18823	1.3
425.17731	1.2
427.19647	1.3
428.20343	4.2
429.21240	9.6
430.21503	2.9
433.20609	1.4
434.20718	1.0
435.21902	2.7
439.19223	1.4
441.17429	2.3
442.17761	2.1
443.18518	4.3
443.22787	4.2
444.19586	6.9
445.20200	3.1
446.21066	1.5
455.19196	1.2
456.19684	2.5
457.20605	5.8
458.21307	7.0
459.17627	2.1
461.19308	1.4
462.20575	1.2
471.22150	11.2
472.23318	6.7
473.19553	6.9
474.20651	3.8
484.19028	1.5
485.19821	4.2
486.20508	9.5
487.21286	3.3
488.22150	1.7
489.18646	2.5
489.23520	1.7
490.19736	4.4
499.21411	14.1
500.22757	5.7
502.19571	1.2
503.24561	5.5
516.21350	2.2
516.58508	0.9
517.22302	13.5
521.25647	1.8
527.20721	3.9
528.21667	1.1
531.24005	23.1
532.24054	1.8
543.24139	3.1
544.21307	1.2
549.24933	11.8
559.23395	97.8
560.23700	8.3
587.22864	17.5
588.23132	1.1
591.26239	3.1
592.27417	1.0
619.25519	100.0
620.25977	10.0
651.28143	45.8
652.28760	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	652.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70013	4.3
53.03918	5.0
55.01860	12.7
57.65218	4.9
61.02927	5.5
69.03418	15.2
69.55997	20.8
69.56339	5.4
79.05475	8.3
81.03415	12.1
82.45705	6.0
85.02919	30.2
91.05477	12.5
95.01344	55.5
97.02902	14.6
105.03362	5.2
105.07021	6.5
107.04959	8.8
109.02879	6.9
111.68365	5.2
113.02413	5.3
115.05463	16.4
117.06997	26.4
119.04976	6.4
123.04424	8.2
127.05396	5.9
128.06259	12.9
129.06996	57.6
131.04918	18.5
131.08556	10.6
133.06500	9.9
135.04407	17.7
139.03883	14.9
141.01837	10.4
141.06958	13.3
143.04872	8.8
143.08420	6.0
145.02852	23.1
145.06488	30.6
146.45935	5.1
147.04395	8.5
147.08034	8.0
149.02310	13.3
151.03871	36.9
153.06985	6.1
155.04916	32.0
155.06036	9.0
157.06493	51.4
159.04420	14.0
159.08047	5.8
161.02283	5.5
161.06001	13.6
163.03928	24.1
165.05528	9.3
165.06966	8.6
167.04924	5.0
167.07008	14.4
167.08484	11.3
169.06526	14.8
171.04367	13.9
171.08020	6.9
173.05981	42.0
175.03944	8.8
175.07542	16.5
175.42104	6.3
177.03943	9.0
179.08592	8.1
181.06436	12.5
183.04398	39.3
183.08038	8.6
184.05162	10.9
185.05998	67.0
187.03856	7.2
187.07506	13.4
189.01871	6.2
189.05452	12.1
191.03407	10.2
195.04375	9.8
197.02469	7.9
197.05992	17.7
198.93611	5.0
199.03938	9.5
199.07571	9.8
201.05440	46.6
201.09262	5.5
203.07018	23.8
207.08022	9.5
209.05963	15.3
211.03880	21.8
211.07579	9.4
213.05499	29.9
215.03346	13.4
215.07010	22.3
217.04848	7.0
223.03929	8.9
223.07579	14.0
225.05495	13.0
227.07007	17.0
229.04951	47.0
231.06479	9.2
233.05971	11.7
233.08092	6.8
235.07544	6.3
237.05409	10.0
239.06985	5.3
241.04913	15.5
243.02910	6.3
243.06548	32.7
245.08168	6.5
247.06075	12.7
249.05438	7.1
251.07042	17.6
255.06578	8.2
257.04462	8.2
257.08044	9.0
259.06046	9.2
261.05350	6.8
261.07602	44.6
267.06451	11.4
269.07996	6.3
271.06039	9.7
277.04889	5.8
279.06403	12.6
285.07486	11.4
289.07007	12.3
291.08508	6.9
295.05942	5.5
297.07568	11.7
313.06876	7.9
317.06708	7.2
317.10150	9.4
331.08029	9.5
333.09604	10.4
341.06586	13.6
343.07968	12.2
353.04483	9.1
359.07654	40.5
361.02954	5.6
361.09122	31.9
363.10995	6.1
375.10794	100.0
377.08588	54.4
379.10275	12.4
391.05466	8.2
391.10226	98.6
393.11746	14.6
395.09766	12.7
397.11148	24.1
405.08209	71.6
409.11386	53.3
410.95877	5.6
419.09695	32.8
423.09201	76.9
437.10803	91.8
441.10172	30.7
455.11826	32.7
523.53967	6.0
634.24615	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	652.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	1.8
53.03703	1.6
53.03952	3.5
55.01870	4.0
55.05505	12.2
57.03429	7.6
57.07074	3.8
57.80869	1.5
61.02938	7.8
65.03934	2.1
67.05502	23.4
69.03424	15.7
69.07065	19.8
69.13128	10.8
71.04993	8.0
79.05489	20.7
81.03414	11.9
81.07050	58.6
81.07499	3.3
83.04956	3.8
83.08617	8.3
85.02901	65.8
85.06541	4.1
87.04476	3.6
91.05466	22.8
93.07035	38.6
95.04942	9.9
95.08598	66.5
95.09207	3.4
96.08895	2.3
97.02881	21.0
97.06527	8.9
97.10162	5.6
99.04455	4.1
99.08085	5.3
99.19393	1.8
103.05474	3.0
105.04530	2.5
105.07021	61.2
107.04893	3.1
107.08583	56.0
108.08961	1.5
108.40641	1.6
109.02884	8.3
109.03542	1.7
109.06512	5.7
109.10146	37.8
111.04450	2.4
111.08087	7.7
111.11765	1.7
113.05985	2.1
115.03937	5.4
115.05434	2.7
117.03294	1.7
117.07018	9.4
119.04984	1.8
119.08571	100.0
121.06491	19.7
121.10131	32.6
121.10976	2.3
123.04403	2.5
123.08051	4.0
123.11696	20.3
125.05903	2.0
125.09627	6.2
127.03912	16.5
127.11188	4.6
128.06230	2.7
129.06999	5.3
129.09151	2.4
131.04941	7.6
131.08557	31.4
133.04930	2.9
133.06508	4.3
133.10123	44.0
135.04427	2.7
135.08011	10.0
135.11671	18.9
137.05972	16.6
137.09630	8.1
137.13255	5.0
139.11157	2.6
142.07817	2.7
143.08536	13.4
143.10670	5.7
144.09274	2.6
145.02980	1.9
145.04976	12.6
145.06436	3.3
145.10107	54.2
147.04391	3.4
147.08015	19.0
147.11665	37.6
149.06007	3.2
149.09613	7.0
149.13237	18.5
151.03914	2.8
151.07521	5.4
151.14804	2.1
152.92503	1.6
153.01784	17.3
153.05388	2.7
154.02184	2.2
155.08563	3.0
156.09238	3.3
157.10165	14.2
159.08067	4.4
159.10353	2.8
159.11681	43.5
159.12943	2.9
160.11960	2.4
161.05983	4.1
161.09602	36.0
161.13240	55.8
161.14511	3.4
163.03880	13.5
163.06140	3.2
163.07542	8.4
163.11171	4.9
163.14796	38.9
164.04344	1.8
165.05409	1.9
165.09135	8.1
165.12776	3.2
167.07019	12.0
167.08302	1.8
169.10103	4.8
170.10892	4.9
171.02826	2.1
171.08124	1.8
171.11687	13.3
173.02229	2.2
173.05986	1.5
173.09628	5.2
173.13254	34.8
175.07677	1.6
175.11185	7.4
175.14812	37.7
177.05461	3.1
177.12755	4.0
177.16371	10.2
179.07065	3.8
179.14293	8.1
180.08638	3.1
181.04953	6.7
183.10246	2.1
183.11696	4.9
185.13240	42.0
187.11235	2.7
187.14799	45.0
187.16496	2.5
189.09189	2.5
189.12733	60.1
189.16360	30.2
191.07030	6.4
191.10655	2.5
191.12529	3.2
191.14281	61.3
191.17892	8.3
193.08641	2.3
193.15939	5.6
197.08054	6.1
197.13298	3.8
199.14807	17.7
201.12767	2.4
201.16370	56.3
203.07062	2.2
203.14279	18.6
203.15863	1.7
203.16270	2.6
203.17940	22.1
205.08623	2.3
205.12187	2.0
205.15848	10.1
207.13768	12.6
207.17365	9.9
211.07709	1.9
211.09634	2.6
211.14870	4.8
213.12704	2.6
213.16339	10.5
215.07114	3.2
215.14323	15.3
215.17937	7.0
217.15834	8.6
219.10077	2.5
219.13882	2.1
219.17409	24.9
220.81990	1.6
221.15363	3.3
223.07509	5.0
223.16942	2.3
225.16414	2.6
227.12738	3.0
227.17860	2.7
229.15822	9.8
229.19559	2.5
231.17439	5.5
233.15367	5.6
233.18967	2.1
235.16933	4.4
237.18520	3.9
241.19452	1.9
243.17404	5.0
245.15367	2.5
247.16904	18.3
251.16356	4.0
253.19479	2.2
255.10187	11.1
257.22522	2.0
258.35168	1.7
259.09534	11.3
265.17953	30.0
269.22690	3.7
275.20059	2.0
277.17975	4.1
287.23660	9.3
289.06912	5.3
290.07416	3.7
293.28375	2.4
297.22083	2.5
305.24756	18.5
321.21884	2.5
363.30405	3.6
373.29147	4.2
379.30057	9.0
381.31564	4.6
391.29868	57.2
392.30185	3.3
393.31378	3.7
407.29376	2.5
409.30966	80.0
410.30917	4.4
411.32404	2.9
419.29388	18.5
425.30490	3.9
427.32043	33.0
437.11884	5.3
437.30420	47.2
455.31512	47.8
456.31979	2.5
473.32596	12.4
599.36108	1.8
604.73328	1.8
652.24030	5.7
652.35553	6.1
653.26630	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	652.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.8
55.01872	23.8
55.05503	56.2
57.03438	9.7
64.29343	4.9
67.05503	81.4
69.03425	9.7
69.07064	61.2
71.01353	9.6
71.04994	12.8
78.00757	4.4
79.05485	91.5
81.03412	23.1
81.07056	100.0
83.04988	20.1
83.08612	33.1
85.02892	7.1
86.09689	8.8
87.42052	4.5
91.05472	86.2
91.13641	5.7
93.07030	62.1
95.01289	8.2
95.04961	46.6
95.08603	53.5
97.02863	9.1
97.06514	42.3
97.10165	31.5
99.08057	5.7
105.07031	61.2
107.04930	31.0
107.08597	41.9
109.06514	22.7
109.10119	31.0
109.19344	4.6
110.41719	5.1
111.04438	7.3
111.08084	12.9
115.07591	5.9
117.07011	26.6
117.09270	4.7
119.08567	59.4
121.06486	16.8
121.10126	26.5
123.04428	7.3
123.08080	17.0
125.00001	8.3
125.09626	35.8
127.04063	4.9
131.08583	30.7
133.06421	9.8
133.10106	30.8
135.08063	17.3
135.11688	18.5
137.09596	28.7
138.21782	6.0
145.06450	4.9
145.10097	36.2
147.08076	14.7
147.11690	18.0
149.09657	26.9
149.13263	13.9
153.09120	16.7
155.08588	6.0
157.10086	10.4
157.20049	4.9
159.08089	5.7
159.11671	21.8
161.09619	10.7
161.13280	9.1
163.11189	30.4
165.09090	12.4
171.11757	6.0
173.09610	12.4
173.11810	8.8
175.11119	5.3
177.12807	7.2
181.12248	8.5
184.07343	30.7
187.11211	5.8
189.11243	15.8
193.12227	45.7
213.16472	5.5
223.13240	8.4
230.44295	4.9
249.14861	10.6
257.18954	12.2
271.16791	5.1
273.18549	31.2
275.20087	47.7
289.18094	25.4
291.19522	74.6
293.21094	16.1
307.18912	13.9
309.20135	5.3
370.02426	5.1
377.80481	5.0
653.35840	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	652.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	10.8
55.01857	14.9
55.05511	42.8
57.03441	16.7
57.07084	2.5
59.05000	5.3
61.35214	2.3
63.73725	2.4
65.03937	5.9
67.05505	100.0
68.05027	15.0
69.03426	18.5
69.07067	96.9
69.69537	9.3
71.01358	11.3
71.04652	3.1
71.04987	17.2
73.02923	4.2
74.66866	2.2
77.03938	2.2
79.05495	81.1
80.05045	2.6
80.05820	2.2
80.06266	2.9
81.03416	34.2
81.07055	96.0
82.04208	3.8
83.04967	16.4
83.08620	23.7
85.02918	6.6
85.06551	5.4
91.05479	84.0
93.07043	79.8
95.04968	46.9
95.08613	48.7
97.02905	11.3
97.06524	76.5
97.10165	23.1
99.04455	5.5
99.08127	5.8
103.05515	2.9
105.04529	7.8
105.07029	52.7
107.04965	17.6
107.08595	42.0
109.06523	20.9
109.10163	26.5
111.08086	11.5
113.05984	5.1
115.05418	2.9
115.07580	8.2
117.07018	22.1
119.04905	2.5
119.08583	41.8
121.06583	14.4
121.10136	19.9
123.04522	4.0
123.08083	10.5
123.11707	3.4
125.05969	3.1
125.09618	22.7
125.45936	2.6
127.07492	2.5
129.07019	12.7
131.08540	27.4
133.06540	3.8
133.10110	30.7
135.08054	14.9
135.11676	19.3
137.09616	20.1
139.11163	4.0
141.07040	3.3
143.08583	8.2
145.06413	2.7
145.10103	22.2
147.08076	6.7
147.11649	11.3
149.09622	24.5
149.13309	3.1
151.11136	6.0
153.09137	3.5
155.08572	2.8
155.10683	3.7
157.10130	12.0
159.08092	3.0
159.11688	10.3
161.09674	6.0
161.13292	9.6
163.11205	10.2
165.09111	4.5
169.10136	3.5
171.11729	5.5
173.11769	5.9
173.13133	5.0
175.11124	3.0
177.12810	9.1
181.12222	6.6
184.13332	14.0
185.13318	2.9
187.11172	5.6
189.11200	9.1
189.12756	3.8
193.12216	12.8
194.12952	3.4
195.13788	2.4
197.13321	2.5
199.13277	6.1
201.12910	2.9
205.12187	4.3
205.45630	2.6
223.13304	11.2
239.17850	2.6
246.71007	2.7
247.20561	3.2
257.18942	5.0
273.18555	13.2
275.20078	35.3
277.21716	3.7
289.17914	5.6
291.19586	24.4
292.19995	2.8
293.21072	9.0
307.19250	3.1
317.76297	2.3
328.99451	2.7
429.43268	3.2
653.36218	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	652.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.7
55.01863	10.0
55.05255	1.6
55.05510	25.3
57.03437	6.2
57.07061	1.5
59.04999	1.7
62.22298	0.9
62.46282	1.0
65.03937	2.6
67.05505	36.6
69.03427	4.8
69.07068	30.1
69.07442	1.6
71.04993	10.1
73.02912	2.1
77.03935	1.9
79.05489	48.5
81.03413	7.7
81.07054	66.0
82.07407	1.1
83.04981	9.1
83.08617	16.5
85.02898	1.2
85.06539	3.6
87.04499	1.1
88.07639	1.1
90.62990	1.0
91.05477	32.3
93.07040	33.0
95.04964	19.5
95.05550	0.6
95.08601	19.6
97.06528	68.0
97.10165	19.8
99.08089	2.7
100.79826	1.0
103.05497	1.1
103.48035	1.0
105.04544	2.6
105.07027	22.4
107.04960	11.6
107.08590	23.9
108.84900	0.9
109.02882	1.1
109.06519	17.0
109.10158	9.2
111.04443	5.8
111.07360	1.0
111.08085	8.0
113.05982	1.0
115.05444	1.6
115.07555	14.4
116.06241	1.3
117.07012	20.2
119.08573	28.1
121.06508	13.0
121.10139	12.2
123.04443	1.5
123.08064	9.3
123.11736	1.2
123.69860	0.8
125.09623	15.2
125.10498	1.2
127.07604	1.1
128.06215	2.6
129.06999	8.3
130.07808	1.4
131.04938	1.4
131.08559	18.9
133.06453	4.7
133.10121	14.3
135.08052	12.9
135.11691	7.7
137.09602	4.8
139.11163	1.4
141.07014	2.0
142.07729	1.7
143.08575	10.1
145.06473	3.2
145.10118	21.2
147.08044	13.7
147.11690	5.4
149.09599	10.7
149.13266	3.7
151.11214	2.2
153.06982	1.1
153.09082	5.6
153.12726	3.3
155.08545	2.5
157.06560	2.2
157.10127	9.1
159.08066	3.8
159.11691	9.4
161.09624	8.5
161.13261	2.7
163.07520	2.4
163.11166	10.8
165.09137	3.3
167.08572	1.3
169.10103	2.5
171.08011	1.4
171.10284	1.9
171.11667	6.2
173.09604	6.0
173.11768	1.4
173.13249	2.9
175.11230	5.9
177.12735	4.2
179.10774	1.4
181.03664	1.0
181.10091	2.1
181.12233	3.5
183.11713	2.7
185.09587	1.3
185.13280	4.4
187.11189	1.6
189.11221	13.9
189.12761	2.2
191.10681	6.2
191.14253	1.1
193.12231	4.9
195.11792	1.8
195.13794	2.9
197.13345	0.9
199.11104	1.4
199.14796	2.6
201.16394	1.2
202.16013	1.0
203.14345	2.1
205.12224	1.8
209.11659	1.3
211.14844	1.2
213.12695	1.6
213.16359	1.3
217.15875	3.6
217.63402	0.9
221.11584	1.0
221.15317	1.4
223.13332	5.3
227.12723	6.8
227.17879	2.5
231.13811	1.3
231.17407	1.1
233.15242	1.2
235.17020	1.2
237.16422	2.7
245.19012	4.5
249.14821	5.0
255.17467	5.8
257.18970	1.2
263.20120	2.7
273.18491	46.2
274.18719	1.8
275.20026	8.0
289.17993	14.3
291.19528	100.0
292.19803	4.2
293.21335	2.0
307.19028	4.3
309.20465	3.9
349.29202	1.0
357.17963	6.3
467.31567	1.8
481.32993	1.0
485.32654	3.0
503.32938	1.0
581.38269	2.7
599.39111	2.5
617.38574	3.8
635.39948	4.7
652.41443	4.7
653.25781	2.4
653.40845	15.0
656.74841	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96036	1.0
53.03939	3.2
55.01859	3.1
55.05507	19.7
59.23063	1.1
65.03934	1.2
67.05501	24.6
67.09151	1.2
69.03423	1.6
69.07064	12.9
69.66064	5.2
71.04986	8.3
72.30408	1.1
79.05489	24.4
81.03403	4.9
81.07052	27.3
82.34158	1.2
83.04958	5.4
83.08610	19.3
85.06558	2.7
88.07604	1.5
91.05476	24.5
93.07037	26.5
93.75881	1.2
95.04960	17.2
95.08604	19.2
97.06534	8.1
97.10159	6.7
99.08042	1.3
105.06344	2.1
105.07023	27.7
107.04964	7.7
107.08591	14.8
109.06496	4.8
109.10155	11.2
111.08082	3.9
111.47272	1.1
116.56352	1.1
117.07000	9.7
119.08575	22.5
121.06504	3.6
121.10140	12.9
123.08054	6.0
123.11711	2.7
125.09654	6.0
129.06987	3.7
131.08557	13.3
133.10115	21.9
135.08055	5.7
135.11736	7.7
137.09596	4.4
139.11160	2.4
141.09064	1.3
142.46518	1.3
143.08549	3.1
144.09346	1.2
145.06445	2.3
145.10123	16.4
147.08052	3.0
147.11656	11.8
149.09612	18.0
149.13237	4.1
151.11188	3.0
155.08540	2.9
155.10692	1.7
157.10106	3.9
159.11690	10.8
161.09586	2.6
161.13260	3.2
163.11176	17.7
165.12723	3.7
169.10136	2.0
171.11665	4.6
173.09622	2.7
173.11800	2.3
173.13264	4.5
175.11171	2.3
177.12706	5.0
183.11681	2.6
187.11124	2.2
189.11197	4.1
191.10730	1.1
195.13849	3.1
197.13277	2.8
201.12737	1.6
223.13237	10.6
225.14969	1.6
227.16367	1.3
229.19443	2.8
239.17860	6.5
247.20496	2.6
249.14899	1.5
257.18982	13.8
263.16205	1.5
275.20044	100.0
276.20377	3.7
277.21497	2.8
289.18140	1.2
291.19638	2.0
293.21088	49.8
307.19238	2.2
307.22665	7.8
325.19907	3.2
344.57205	1.2
451.32132	1.7
469.33124	3.9
487.34189	6.8
567.40332	2.3
581.61786	1.2
594.12604	1.4
599.42633	3.3
652.42609	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	652.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01876	3.2
55.05515	19.4
59.73439	1.5
67.05503	19.6
69.03453	1.7
69.07078	12.9
69.38168	4.0
69.38555	3.3
71.05002	6.9
79.05501	25.4
81.03426	5.1
81.07060	22.8
83.04996	2.9
83.08631	16.5
85.06579	3.0
87.62694	1.5
91.05482	21.9
93.07049	21.2
93.92174	1.5
95.01288	2.0
95.04977	18.2
95.08617	15.9
97.06546	3.8
97.10181	7.0
98.23450	3.5
105.07031	23.6
107.04977	6.6
107.08591	17.5
109.06521	4.0
109.10154	10.4
111.08103	5.9
117.07035	6.0
118.91015	1.4
119.08578	18.3
121.06545	2.9
121.10154	12.5
121.79587	1.5
123.08067	6.4
123.11697	2.4
125.09647	4.2
129.07013	2.8
131.08565	9.6
133.10097	14.4
135.08057	3.9
135.11723	5.2
137.09608	7.5
139.11275	2.8
140.12018	1.7
141.09151	2.0
141.42854	1.7
143.08598	3.8
145.10143	14.7
147.08066	2.8
147.11705	7.6
149.09636	16.9
149.13269	1.7
151.11189	4.4
152.93106	1.8
155.08527	3.8
157.10165	1.9
159.11667	9.4
161.13263	3.0
163.11189	16.6
165.09180	1.6
165.12851	2.7
167.26590	1.4
169.10156	3.3
171.11711	3.2
173.09615	3.5
173.13358	3.4
177.12764	3.2
183.11780	2.9
185.13321	1.8
189.11206	6.3
195.13872	3.0
197.13235	2.2
215.18056	2.2
223.13272	12.2
229.19563	2.9
239.18054	4.5
257.19077	12.1
263.16528	4.1
275.20081	100.0
276.20435	2.7
276.46359	1.5
277.21637	11.9
289.18069	2.2
291.19446	1.8
293.21115	52.9
293.24457	3.1
307.19110	3.8
307.22665	4.3
325.20120	6.7
460.24362	1.8
469.33069	3.0
487.34103	4.0
599.42798	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	653.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35718	5.2
69.36051	17.4
98.22714	9.0
189.71217	4.4
202.96646	3.9
237.13921	4.7
239.39284	3.5
264.06793	4.1
417.20758	4.1
445.20377	5.0
487.21121	9.4
515.20599	5.4
519.23901	5.5
533.24390	6.1
561.25024	95.3
562.25122	7.7
577.20447	6.3
589.24792	4.6
621.17279	7.5
621.27014	100.0
622.26691	7.5
653.29266	6.7
678.03845	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	653.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
63.61868	6.2
64.25069	6.3
67.05505	6.7
71.12643	7.2
74.58867	5.8
106.66652	7.0
117.93362	5.4
132.95769	5.8
143.75284	6.2
145.43613	5.8
155.28734	6.1
180.45639	6.1
356.01379	8.7
391.19308	10.5
399.04779	6.5
405.20721	18.2
406.21545	16.0
420.23096	14.3
421.23837	20.6
433.20172	12.8
436.18518	9.3
445.04797	5.9
465.22928	71.1
477.22638	7.4
479.24661	17.1
488.22220	11.9
503.24515	81.5
504.24606	7.3
535.26990	36.9
579.26044	40.1
594.28284	18.8
653.29633	100.0
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	Unknow
Peak:m/z	Relative Intensity
52.50797	2.7
55.01864	4.0
55.05530	3.2
67.05505	5.8
69.23064	16.3
79.05496	8.2
81.07054	10.0
91.05480	2.9
93.07050	5.9
95.08615	3.1
119.08625	3.6
166.72961	2.6
225.13786	4.0
237.14006	3.0
251.11682	2.7
279.56741	3.0
291.19498	8.2
336.11160	3.7
396.91165	3.0
445.20291	4.5
447.22202	5.0
474.89194	3.4
487.21509	5.4
501.22729	5.1
515.20337	4.8
529.21924	4.0
533.25592	3.2
561.24976	100.0
562.25397	4.3
589.24310	7.1
621.27087	94.8
622.27069	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	653.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20916	3.4
55.05481	3.2
60.16418	3.2
69.11991	19.3
126.25948	2.6
160.56552	3.1
167.37865	2.6
210.11417	3.5
225.13885	5.3
238.06837	2.9
269.50897	3.6
275.20117	3.9
293.20950	4.0
367.35626	3.4
457.16821	3.2
459.22076	4.9
487.20950	7.8
561.24957	79.1
562.25220	3.9
589.24524	5.9
621.27008	100.0
622.27539	7.6
635.28223	3.6
637.29669	5.2
653.32043	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	653.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56165	3.0
55.05505	6.5
62.57213	3.2
67.05493	7.2
69.07050	7.0
70.04094	9.0
79.05475	4.6
81.07053	8.6
82.95987	3.1
91.05501	4.3
93.07014	7.9
95.08614	7.5
107.08602	4.0
121.10149	4.3
153.11052	3.1
215.94444	4.2
221.10764	4.3
313.55179	3.9
386.18286	4.2
400.37524	3.3
403.19400	7.5
404.19800	10.3
405.20709	29.1
417.20767	6.0
418.21393	5.1
419.22195	28.9
420.23035	11.5
431.22311	4.2
433.23920	16.2
434.24600	14.0
445.20245	5.9
447.21472	7.4
449.19769	20.4
450.20425	8.6
463.21414	24.4
464.21909	6.9
465.22565	6.1
473.19589	8.3
475.21167	3.8
476.21875	4.3
477.22708	14.8
478.23615	12.0
479.17654	7.0
479.24374	72.5
487.21106	10.0
492.24994	6.8
501.22464	12.5
507.27481	32.0
519.23755	11.8
533.25348	11.3
537.25116	18.8
551.26550	69.1
552.26691	5.4
561.24677	10.8
565.28003	32.7
566.28827	68.3
593.27576	9.5
621.26959	9.4
653.29688	100.0
654.29797	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	654.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43953	0.3
54.38480	0.3
55.05503	0.3
55.95390	0.3
67.05479	1.3
69.42960	1.4
78.61355	0.3
79.05484	0.8
81.07027	1.0
86.75791	0.3
91.05474	0.7
93.07035	0.9
95.08595	0.8
98.98454	4.7
105.07030	0.3
107.08606	0.5
115.05438	0.6
118.06513	0.5
120.08131	0.5
124.99999	11.7
143.07317	0.7
144.08099	1.4
146.06042	2.4
146.09547	0.4
148.70056	0.3
162.09100	0.5
164.07133	0.8
172.07565	6.4
178.08647	5.7
190.08640	3.7
193.61555	0.3
196.09682	8.5
204.10190	24.0
205.10620	0.6
207.08794	0.6
222.11244	62.4
223.11609	1.7
240.12296	7.1
297.09729	0.3
302.07721	1.9
318.10959	0.4
320.08920	100.0
321.09290	2.5
335.25748	0.3
347.15494	0.5
365.16434	0.3
377.46326	0.3
586.83740	0.3
636.32306	1.5
640.32275	0.4
654.33856	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	654.413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50154	0.4
55.05512	3.7
56.05030	0.9
57.03426	1.5
65.03928	0.6
67.05502	9.3
68.04996	0.9
69.07069	4.2
70.06569	0.8
71.04960	0.7
78.43132	0.5
78.63137	0.4
79.05128	0.6
79.05500	7.6
81.06622	0.7
81.07059	8.4
82.06588	2.2
83.04980	0.8
83.08605	1.1
88.61436	0.5
91.05478	4.1
91.39606	0.5
92.20969	0.5
93.05800	0.9
93.07043	9.2
94.06538	0.7
95.04955	1.6
95.08598	6.0
96.08131	1.0
97.06526	1.1
97.10162	0.8
104.10751	0.8
105.04539	0.5
105.07046	2.5
106.06548	2.2
107.04939	1.0
107.07346	6.9
107.08565	4.9
108.08131	6.6
109.02982	0.5
109.06460	0.5
109.08892	0.6
109.10161	2.2
110.09669	1.4
111.21394	0.5
117.06986	1.2
119.08556	2.7
120.08122	0.5
121.08867	1.1
121.10154	2.8
122.09644	2.4
123.08041	0.7
124.11243	2.8
125.00000	2.6
125.09660	0.5
131.08572	0.8
133.10135	2.2
134.09654	8.0
135.10437	37.1
135.11629	3.6
136.11234	3.1
137.11984	1.1
143.08556	0.6
145.10155	0.9
147.11673	1.1
148.11189	2.0
149.09621	1.0
149.12015	4.3
149.13139	1.0
150.12778	4.5
151.13315	0.5
152.14348	4.1
159.11746	1.0
161.09677	0.6
161.13280	0.5
165.12852	0.4
167.09387	0.9
176.14265	1.3
178.15906	56.3
179.16222	1.0
180.17465	14.9
193.12219	1.2
196.16994	3.2
204.04193	0.8
222.08882	1.8
222.18509	6.5
240.19519	1.5
262.74265	0.5
273.18353	0.9
275.20053	2.4
276.13593	78.1
277.13937	1.6
278.15167	2.0
291.19550	2.7
293.20999	1.3
320.16202	100.0
321.16406	3.2
335.25806	5.0
610.38696	4.0
636.40607	1.9
637.26691	0.6
654.41357	10.9
655.27209	1.6
655.38196	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	654.458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.4
55.05510	10.8
56.65871	1.3
65.03947	1.4
67.05504	17.8
69.03420	2.1
69.07060	6.6
69.37116	2.8
69.37502	2.4
71.04991	2.1
79.05498	18.6
81.03452	2.1
81.07053	36.2
83.04979	5.4
83.08615	7.7
91.05470	13.4
91.52823	1.2
93.07037	14.1
95.04970	11.7
95.08610	10.4
97.06541	3.5
97.10175	12.9
99.04485	1.5
99.08079	1.3
104.10742	8.1
105.07039	12.0
107.04963	5.1
107.08588	10.3
109.06495	6.1
109.10138	7.4
111.04465	3.7
111.08111	2.2
117.07011	7.2
119.08590	14.4
121.06516	4.5
121.10137	8.2
123.08070	6.8
123.11728	2.0
125.09627	7.4
129.06990	3.3
131.08554	7.6
133.10158	7.1
135.08076	4.9
135.11713	2.1
137.09608	1.7
141.06938	1.7
143.08591	4.2
145.10117	9.9
147.08055	10.7
147.11711	4.4
149.09656	4.8
149.13356	1.4
153.09109	2.2
153.12743	1.6
155.08533	2.0
157.10103	2.9
159.11731	4.2
161.09621	3.5
163.11212	5.4
165.09169	1.6
169.10158	2.8
171.11655	2.3
173.09555	2.2
173.11781	2.0
173.13281	1.3
175.11215	2.1
177.12807	2.3
181.12289	2.8
189.11235	9.9
190.08595	1.8
191.10670	3.7
195.13760	1.4
202.15916	1.2
203.16246	1.4
219.39827	1.2
223.13301	3.3
227.12833	5.5
245.18980	1.2
247.57492	1.4
249.14806	3.2
255.17581	3.8
257.19189	1.8
273.18497	20.1
274.18802	1.7
275.20087	15.3
282.17282	1.3
291.19534	100.0
292.19907	3.5
293.21225	3.0
301.13916	1.9
302.14493	1.4
309.20486	9.0
320.08917	2.5
411.43176	1.4
445.29492	2.2
533.54694	1.4
583.40594	1.6
655.39197	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.05502	0.2
56.96541	0.2
67.01862	0.5
67.05506	0.7
68.99777	0.5
69.03430	0.2
69.07055	0.3
69.27233	0.4
69.27644	0.2
79.05496	1.4
81.03408	0.5
81.07054	0.8
83.04971	0.2
83.08611	0.2
91.05479	1.0
93.07038	1.7
95.04964	0.5
95.08595	0.4
97.02876	0.2
97.06506	0.2
99.04417	0.1
105.04510	0.2
105.07048	0.9
107.04958	0.2
107.08588	0.3
109.02879	1.2
109.10120	0.1
111.08098	0.1
117.03368	0.1
117.07018	0.1
119.08542	0.6
121.10171	0.1
127.03918	0.9
127.07580	0.2
129.01848	0.2
129.07010	0.5
131.23906	0.1
133.10143	0.1
135.04417	1.4
137.02338	0.6
143.08620	0.2
145.10172	0.2
147.08055	0.2
147.11670	1.7
149.02347	0.2
153.01828	5.2
160.32454	0.1
161.02370	1.0
161.13263	0.4
165.09065	0.2
165.73416	0.1
170.10989	0.1
171.02892	1.0
171.11696	1.1
179.03384	0.2
189.12723	0.8
207.13802	4.1
213.05481	0.2
217.07428	0.1
219.06555	0.3
225.14868	0.2
229.07455	0.4
241.04842	0.7
242.27306	0.1
245.04407	0.3
247.08620	0.2
269.04453	0.4
271.06015	0.5
287.05490	100.0
288.05856	2.7
329.06644	0.3
329.14151	0.1
331.18750	0.1
333.17029	0.4
347.15036	0.9
347.18759	0.1
351.17807	0.5
365.16330	0.3
403.58557	0.1
449.64111	0.1
655.22778	0.8
655.33929	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2765
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
55.05489	1.9
59.30416	0.9
67.05499	2.9
69.07077	1.3
69.11068	2.1
69.11483	4.6
79.05501	1.6
81.03432	1.0
81.07069	2.7
91.05478	1.5
93.07038	2.8
94.06647	1.2
95.04957	1.2
95.08590	1.5
95.58918	1.0
97.06532	1.2
105.07064	1.1
107.08611	1.3
119.08586	1.9
120.57084	0.9
138.57977	1.0
145.10126	1.0
195.09155	1.1
209.10614	1.3
227.11700	1.8
251.11926	1.3
272.11819	1.0
275.20139	2.7
276.15042	1.0
288.14850	1.4
293.21011	1.8
300.14966	1.2
302.16586	2.2
316.18390	1.2
339.18994	3.4
394.53949	1.1
398.10507	1.1
398.15411	1.4
403.19427	1.3
416.19897	1.4
417.20871	2.2
418.21954	1.2
426.14209	1.2
428.20099	1.3
445.16321	1.1
447.17316	1.5
449.19571	1.9
456.18790	1.3
458.16965	2.2
461.20471	1.2
477.18576	2.0
489.19299	3.2
491.20752	2.9
509.25192	1.3
521.25464	1.6
535.23126	3.4
537.24866	2.8
548.20697	1.3
549.24493	3.1
559.23450	10.3
561.24646	4.4
563.22797	7.2
577.24493	12.7
579.25757	1.6
595.24731	1.5
605.23920	26.4
608.22449	1.6
619.24884	3.2
623.24976	2.4
637.26532	100.0
638.27130	4.8
655.27222	15.6
655.38440	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	655.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63977	0.4
55.05502	0.5
55.68567	0.4
60.50975	0.4
67.05458	0.4
69.03443	0.7
69.07980	2.5
70.06593	13.9
71.04997	1.6
71.06119	3.7
76.04017	0.5
80.04999	0.5
81.03413	1.8
85.02918	1.3
87.07958	0.4
88.08765	0.4
89.03951	0.6
95.06083	2.4
97.02895	1.0
98.06060	2.7
98.22619	0.7
100.08758	0.7
107.04995	0.6
109.07622	0.4
110.06055	2.5
112.07613	0.6
113.03550	0.6
114.10322	0.4
115.08716	0.5
115.11076	0.7
115.50955	0.4
118.57340	0.4
124.03949	8.6
124.08735	0.7
127.03964	0.5
127.08677	0.5
133.06511	0.4
135.04446	1.6
138.05550	0.6
138.36433	0.4
140.03416	0.8
145.02827	0.6
148.07599	0.7
152.08247	0.6
155.08185	0.8
163.03896	12.1
164.04277	1.7
165.06619	1.2
168.35426	0.3
174.05426	0.7
174.06728	1.0
176.03441	1.7
176.07065	6.0
182.09288	0.5
187.86667	0.4
191.04523	0.5
193.09792	0.5
202.09746	10.8
202.11487	0.7
203.08186	0.5
204.06581	4.5
205.09727	3.5
213.08751	2.5
214.09479	0.5
221.09222	10.1
230.11392	1.1
233.09209	5.1
240.09843	1.2
246.08777	11.4
246.11105	0.8
261.08719	9.4
261.11414	0.6
275.60663	0.4
282.12057	1.6
290.11386	1.5
308.17227	0.6
317.12402	0.6
325.09326	0.8
327.17819	1.1
335.90695	0.6
336.11896	11.5
336.15875	0.7
366.17725	1.8
388.15512	0.5
405.18445	0.6
406.16190	3.6
423.19839	36.9
424.20313	2.2
431.16190	0.8
448.18573	0.8
493.23993	2.8
494.16757	0.8
568.21100	0.9
655.29370	100.0
656.29608	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	655.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27076	0.4
53.36700	0.4
55.05507	0.9
60.13061	0.5
67.05505	0.8
69.07085	0.5
69.40896	1.2
69.41279	1.5
73.98808	0.4
79.05488	0.7
80.68939	0.5
81.07040	1.1
84.38359	0.5
87.41409	0.5
91.05466	0.7
92.26882	0.5
93.07024	1.3
105.07034	1.3
131.08635	0.6
147.11609	0.5
194.19855	0.5
250.49550	0.5
375.29648	0.5
391.19122	1.8
392.19778	0.8
405.16922	1.7
405.21506	0.7
407.22348	3.6
419.18124	3.0
420.18808	0.9
420.23779	0.7
421.19913	0.7
423.21704	0.6
432.19424	0.6
433.14920	0.6
433.20490	4.4
434.20981	5.3
435.21790	6.6
436.22394	1.1
447.17871	1.5
447.22714	1.2
448.18359	0.7
449.19604	1.0
461.19843	1.7
462.20322	4.4
463.21295	4.0
466.23309	0.6
475.21243	1.7
476.22168	1.2
477.22836	1.3
478.24167	0.9
479.20767	0.5
489.22720	1.4
493.21661	0.8
495.24020	0.9
507.24304	0.8
508.24817	1.9
509.25589	1.2
521.25793	12.1
547.26642	0.6
549.25000	17.3
550.25488	0.7
553.25348	0.6
563.26947	2.6
564.27216	1.5
580.23926	0.5
581.27588	3.7
595.29291	12.2
596.29651	0.7
602.10876	0.5
609.26965	13.5
610.26715	1.0
623.28363	2.1
655.30975	100.0
656.31354	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	655.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52172	0.2
53.70052	0.2
54.39902	0.2
60.71466	0.2
63.34496	0.3
69.70606	0.3
69.70951	0.8
79.05482	0.3
81.07057	0.4
84.71815	0.3
106.38676	0.2
114.51675	0.2
119.08618	0.4
125.05999	0.3
145.10109	0.2
149.02374	0.3
185.04185	0.3
187.07185	0.3
281.46899	0.3
339.14166	0.2
386.69092	0.2
391.62692	0.3
393.18893	0.8
401.80090	0.3
457.32956	0.5
501.24612	0.3
593.34192	0.5
611.35577	2.2
655.34479	100.0
656.34882	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	655.345
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	4.3
76.89709	0.3
97.62586	0.3
98.97591	0.3
107.00547	0.3
110.52327	0.2
111.98516	0.3
128.98653	0.5
146.09674	0.5
147.10088	0.4
160.74275	0.3
165.09200	0.3
185.04845	0.4
187.07333	0.8
195.09984	0.4
196.07018	0.3
225.08006	1.1
237.08073	1.1
243.09138	0.8
251.09723	0.3
253.11131	1.3
255.09044	0.3
271.12280	0.6
275.09821	0.4
276.12885	0.3
291.12589	0.4
304.09494	0.7
329.14218	3.9
330.14505	0.4
330.18201	0.4
331.18915	0.9
347.15378	12.2
347.18536	4.7
348.15332	0.6
365.16330	9.0
370.17017	0.4
388.17838	1.3
393.18839	1.1
611.35681	1.5
637.33557	0.6
655.34521	100.0
656.34863	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	655.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.5
56.05800	1.1
57.07076	1.9
62.73399	1.1
67.05507	5.1
69.07078	2.9
69.24957	6.4
79.05505	3.6
81.07072	4.9
83.04981	6.2
83.07552	1.1
83.08607	1.9
91.05505	3.7
92.05841	1.3
93.07060	2.4
95.04965	2.8
95.08640	2.4
98.23433	2.4
105.07056	2.6
107.08604	2.5
107.66166	1.4
109.10155	1.3
117.07073	1.5
119.08575	3.6
125.09661	1.7
126.87163	1.2
129.06993	1.8
133.10208	1.2
142.93875	1.7
145.10167	1.6
151.11258	1.4
153.09174	1.2
169.43849	1.4
175.01660	2.6
181.02679	3.8
189.11166	1.2
208.10097	1.3
216.39508	1.3
227.04683	1.3
232.09908	2.8
247.12460	3.9
267.15021	1.3
275.20175	1.8
291.19702	2.9
292.19891	2.0
293.12820	11.5
293.15366	1.1
293.21130	1.7
311.14160	4.5
313.12024	4.8
347.15234	2.0
549.24921	1.6
557.38562	2.1
595.28979	2.1
599.25348	7.0
637.27490	1.6
637.37384	1.5
655.36261	100.0
656.36383	5.4
676.80530	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64491	0.2
53.03945	0.2
63.02376	0.3
69.03426	1.1
70.06630	0.3
70.42847	0.2
77.03902	0.3
78.67654	0.2
79.05479	1.1
81.03423	0.6
85.02921	0.5
89.03914	5.4
91.05472	0.3
93.07036	0.2
93.58081	0.2
95.04967	0.8
97.02869	0.6
99.04458	0.5
103.05461	0.4
107.04956	2.5
109.02853	0.6
117.02567	0.5
117.03378	7.2
117.05507	0.3
121.06541	0.2
123.04444	0.2
127.03912	0.5
131.04910	0.7
135.04417	14.7
137.05983	0.8
145.02847	12.2
146.03223	0.3
147.04353	0.2
148.84801	0.2
149.06001	0.4
153.05550	0.3
161.05940	0.3
163.03902	100.0
164.04240	2.2
165.05493	0.7
167.07019	0.3
177.05470	0.3
179.07095	0.2
181.04964	0.8
205.08728	0.2
206.05005	0.3
209.08174	0.5
247.83861	0.2
251.09149	0.4
265.95810	0.2
279.08496	1.3
283.11816	0.4
297.09698	2.6
307.08130	0.4
325.09177	1.3
406.20499	0.2
459.12851	8.7
460.13864	0.3
656.26056	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	656.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.2
53.03954	0.2
53.87574	0.1
57.03412	0.2
58.20837	0.1
62.63903	0.1
63.02375	0.3
67.92519	0.1
69.03424	0.9
69.07065	0.2
69.32322	0.4
69.32732	0.3
73.02921	0.3
77.03905	0.2
79.05482	0.6
81.03418	2.9
81.07021	0.2
85.02901	1.1
89.03378	0.3
89.03912	3.8
91.05465	0.2
93.07055	0.2
95.04958	0.3
97.02895	0.7
99.04446	0.3
105.04535	0.2
107.04960	1.1
107.08613	0.2
109.02886	1.5
117.03380	5.3
117.04209	0.3
127.03915	0.6
131.37718	0.1
135.04411	12.1
136.04745	0.2
137.05954	0.2
145.02846	10.2
153.05481	0.3
163.03897	100.0
164.04240	2.3
181.04959	5.0
195.17392	0.1
217.12088	0.2
253.14426	0.2
307.08115	3.6
308.08780	0.2
325.09164	7.1
326.09473	0.2
354.15073	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	656.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01875	1.6
57.03433	1.5
59.01353	0.9
59.05004	5.6
61.02916	2.0
62.68263	0.8
63.50176	0.8
67.05494	2.4
69.03423	5.9
70.06580	1.1
71.01342	3.5
71.04991	36.1
71.44662	1.0
73.02917	1.2
77.03911	1.5
79.05489	12.7
81.03416	7.7
81.07055	5.0
83.04971	2.3
85.02899	12.4
86.56342	0.8
87.04478	1.5
89.06023	6.1
91.05476	5.5
93.07032	7.7
95.04971	20.0
95.08566	1.3
96.36259	0.9
97.02901	6.5
99.04484	1.2
103.03934	3.3
103.05469	7.8
105.04522	2.2
105.07025	3.6
107.04955	77.2
107.07039	7.6
107.08615	1.1
108.05246	0.9
109.02878	79.0
109.06516	7.9
109.10163	1.8
110.45518	0.8
111.04436	2.4
115.03947	1.1
117.03329	1.2
117.05500	8.1
119.04940	1.0
121.06501	15.2
121.10139	1.1
123.04432	6.7
124.03940	3.1
125.02345	7.8
125.05978	1.8
127.03918	4.9
131.04941	5.7
131.06999	1.2
133.02867	2.5
133.06496	2.5
133.10155	1.1
135.04414	29.5
137.05981	4.5
139.03899	52.1
139.07544	1.8
141.05479	2.1
145.02846	2.6
145.04942	1.7
147.04430	2.5
149.05978	26.9
151.03896	23.2
151.04845	0.5
151.07552	0.8
153.05470	5.5
159.04437	6.2
161.05936	1.6
163.03905	21.1
163.07608	1.3
164.04193	1.2
165.05479	65.7
166.05855	1.0
167.07034	20.0
170.12555	1.0
173.13240	1.3
177.05469	78.1
178.05801	1.2
179.07027	1.7
181.04939	1.5
181.08563	0.8
189.96452	0.8
191.07040	12.0
192.07362	0.9
193.08627	2.5
195.06526	16.9
197.08020	1.1
199.28265	0.9
209.08081	100.0
210.08408	1.6
213.07542	1.6
227.09116	8.2
232.69461	0.7
239.09233	1.0
265.10706	7.8
268.08005	1.3
279.08530	1.7
283.11758	28.1
297.10260	1.2
297.13351	7.8
313.07144	0.9
315.14392	13.5
321.09250	1.0
339.10840	5.4
377.48624	1.0
427.15817	2.8
445.17026	2.6
459.12970	1.2
459.18591	2.3
477.19470	1.4
511.95718	0.9
518.88574	1.0
533.19165	0.9
653.56818	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.4
54.23658	0.4
55.05510	0.7
57.03421	0.5
67.05493	0.9
69.03433	0.9
69.07050	0.8
69.69162	1.3
71.04967	0.5
79.05462	0.8
81.03408	0.8
81.07052	1.3
83.08605	0.4
85.02883	1.3
85.06559	0.5
87.01665	0.4
91.05471	1.5
93.07047	2.2
95.04948	1.0
95.08584	1.3
97.02892	1.1
97.06526	1.0
103.05451	0.8
105.07024	1.0
107.04946	0.8
107.08569	0.8
109.10131	0.7
117.07001	0.4
119.08556	0.7
121.06503	3.4
123.04388	0.5
125.09634	0.4
127.03809	0.4
130.06516	0.8
131.04872	0.5
137.36627	0.3
142.06528	1.2
143.07272	1.8
144.08046	1.2
145.10060	0.4
149.05959	1.3
151.07626	0.4
153.01811	0.6
163.03891	1.0
165.09079	1.1
167.07262	0.4
168.08046	2.3
169.07603	100.0
170.07962	2.4
182.08412	2.1
184.07521	0.8
184.09860	0.5
185.10724	0.6
195.09161	0.9
219.09183	0.6
220.07603	1.0
221.10577	0.6
235.08684	0.8
237.10185	1.9
247.08490	1.9
247.12280	0.8
248.07085	1.4
249.07538	0.7
249.10294	0.6
250.07333	0.5
252.26044	0.4
261.14249	0.4
263.08112	2.5
265.09705	23.9
266.10294	1.2
269.18280	0.3
281.09097	0.6
287.05481	12.8
289.13324	0.6
291.15216	0.4
301.07114	0.4
307.14282	1.1
317.12799	1.7
335.13873	58.6
336.14130	3.1
337.14276	0.6
338.54355	0.4
339.09644	2.0
355.15338	1.1
363.13367	50.0
364.13599	2.4
367.09305	0.5
385.10089	1.1
411.12604	1.7
412.12891	2.0
494.22705	0.7
497.19037	2.5
525.18738	6.5
526.18591	0.5
533.09833	0.4
625.22961	0.9
656.24982	0.7
656.39020	0.7
657.31732	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10687	0.4
55.01871	0.5
55.05492	0.8
67.05507	0.8
69.03417	1.1
69.07038	0.7
71.05004	0.6
75.72282	0.3
79.05480	1.3
81.03440	0.5
81.07037	1.5
82.68913	0.4
83.04976	0.5
85.02887	1.0
91.05467	1.8
93.07047	2.0
95.04948	1.3
95.06664	0.4
95.08592	1.4
97.02888	1.5
97.06497	1.1
98.22704	1.2
103.05466	0.8
104.96439	0.4
105.06996	0.9
107.04959	0.5
107.08579	0.5
109.10143	1.0
119.08575	0.5
121.06489	3.3
121.10140	0.8
124.07631	0.5
125.09659	0.6
127.03891	0.5
133.10063	0.5
135.04428	0.5
137.09579	0.9
139.93050	0.4
142.06525	1.3
143.07304	1.8
143.08368	0.4
144.08078	0.7
147.04330	0.4
149.05919	0.9
151.07484	0.5
153.01833	0.5
163.03935	1.4
163.22604	0.5
165.09125	1.5
167.07253	0.5
168.08138	2.0
169.07608	100.0
170.07907	2.4
179.03146	0.5
182.08363	1.6
183.09232	0.9
184.07559	0.6
184.11264	0.5
185.10864	0.6
192.08055	0.6
195.09169	1.3
207.09377	0.4
219.09140	0.6
220.07588	1.1
221.10754	0.8
223.08734	0.4
235.08661	1.1
236.09326	0.5
237.10231	2.3
247.08693	2.1
247.12376	0.6
248.07019	1.4
249.07396	0.7
249.10097	0.6
250.07631	0.6
259.09607	0.6
263.08206	2.9
265.09714	25.0
266.10223	1.3
287.05481	17.3
289.13406	0.9
293.08994	0.5
301.06894	0.7
307.14368	1.5
317.12875	2.1
333.12344	0.4
335.13882	61.1
336.14337	2.6
337.14444	0.7
339.09821	1.1
350.15994	0.4
355.15399	1.3
356.15582	0.5
363.13370	47.0
364.13696	2.5
371.02853	0.4
411.12750	2.4
412.12952	3.1
441.37396	0.5
497.19159	2.0
525.18689	6.2
526.18341	0.6
550.75299	0.5
606.80243	0.4
624.26245	0.6
656.31927	0.9
657.31604	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94041	0.1
55.05490	0.4
57.03419	0.2
57.07053	0.3
67.05505	0.9
69.07037	0.4
69.27486	0.8
79.05470	0.4
81.07039	1.0
83.08597	0.2
91.05460	0.5
93.07011	0.3
95.08580	0.6
97.10152	0.2
98.98457	3.8
109.10122	0.2
115.05399	0.4
117.07011	0.3
118.06515	0.6
119.07198	0.1
119.08609	0.2
125.00001	11.6
134.09633	0.2
136.07617	0.2
140.74483	0.1
143.07283	0.4
144.08073	1.9
146.05998	2.1
158.60922	0.1
162.09099	0.4
164.07037	0.9
172.07565	6.6
173.07877	0.3
178.08615	5.3
181.07381	0.1
190.08611	3.7
192.06483	0.2
196.09682	9.1
197.10110	0.2
204.10190	22.4
205.10539	0.5
206.08202	0.2
207.08856	0.7
222.11238	61.1
223.11575	1.6
229.47998	0.1
240.12289	6.9
241.12656	0.2
261.07376	0.2
302.07895	2.6
320.08911	100.0
321.09229	2.3
337.27524	0.2
339.19034	0.5
340.19415	0.5
378.38156	0.1
394.12415	0.3
411.10910	0.2
430.12338	0.2
578.24823	0.2
638.34692	1.2
639.34595	0.2
656.27136	0.6
656.36115	3.5
657.36041	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	656.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
54.34786	0.3
55.00658	0.4
55.05515	3.4
56.05021	0.8
57.03421	1.4
57.07066	0.7
66.72160	0.3
67.05217	0.4
67.05508	5.4
69.07063	3.1
69.58221	0.5
69.58569	1.6
79.05507	2.5
81.07054	6.3
82.06579	1.5
83.08620	2.0
91.05479	2.0
92.05004	0.4
93.05777	0.6
93.07046	4.4
94.06548	0.8
95.04974	0.6
95.08612	4.8
96.08123	0.8
97.10161	1.0
105.07018	1.5
106.06555	2.1
107.07347	5.2
107.08560	2.7
108.08138	5.4
109.10161	1.5
110.09653	1.0
115.08818	0.4
117.63576	0.4
119.08608	0.9
120.08118	0.7
121.08907	0.7
121.10124	0.9
122.09704	1.8
123.10453	0.6
123.11718	0.9
124.11206	1.8
125.00004	1.4
126.12763	0.5
133.10100	1.0
134.09662	7.5
135.10440	31.9
135.11613	2.3
136.11243	2.0
137.12018	0.4
147.11665	0.6
148.11211	1.3
149.12016	2.5
149.13095	0.5
150.12770	3.9
151.13495	0.5
152.14316	4.1
161.13185	0.5
167.09419	1.0
176.14342	0.9
178.15909	48.3
179.14276	0.4
179.16266	1.1
180.17473	13.3
196.17014	2.8
202.15906	2.5
204.04076	0.5
217.79839	0.4
220.16914	0.5
222.08955	1.5
222.18512	5.8
240.19600	2.0
276.13596	76.1
277.13898	2.4
278.15060	1.8
320.16205	100.0
321.16547	2.9
335.46579	0.4
337.27335	5.2
467.21979	0.4
574.61731	0.5
594.39081	0.7
612.40155	4.2
638.41443	1.2
656.27472	0.6
656.43286	9.8
657.38715	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	657.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32495	0.2
54.15622	0.2
55.05489	0.5
60.26310	0.2
66.55731	0.2
67.05473	0.8
69.03427	0.4
69.07039	0.6
69.38538	0.7
71.04951	0.3
73.11107	0.2
78.04694	0.2
79.05465	0.5
81.03384	0.5
81.07055	1.3
83.08587	0.4
85.02877	0.3
85.06532	0.3
91.05482	0.9
93.07010	0.8
95.04990	1.0
95.08603	0.9
97.02850	0.3
97.06487	0.3
99.04457	0.2
102.04651	0.3
103.05465	2.0
104.06243	0.2
105.06985	0.7
107.04945	0.9
107.08546	0.7
109.02856	0.7
109.06482	0.2
109.10146	1.1
111.08048	0.3
115.05407	0.4
117.07001	0.3
118.04160	1.2
119.04907	0.4
119.08578	0.4
121.02893	0.2
121.06490	1.0
121.10131	0.4
121.83119	0.2
123.04418	0.5
123.11739	0.4
125.02357	0.3
125.09628	0.2
127.03866	0.2
130.04134	0.6
131.04932	3.0
132.05714	1.9
133.02853	0.4
133.06471	0.4
134.03587	0.2
135.04390	0.7
135.08012	0.3
135.11653	0.3
137.05983	0.5
137.13217	0.5
139.03867	0.4
140.04671	1.5
145.04924	0.3
145.06458	0.3
145.10089	0.2
146.03629	1.6
147.04391	0.6
148.05151	0.7
149.05933	0.8
149.13257	0.4
151.03926	0.3
151.07501	0.3
151.14790	0.3
153.01831	3.3
153.05470	0.5
154.06259	0.4
155.07031	0.6
159.04373	0.4
160.05164	0.7
161.02310	0.3
161.05940	1.1
162.03133	0.6
163.03911	1.0
163.07494	0.3
163.14868	0.3
165.05446	0.6
165.09151	1.0
166.06270	0.4
167.07025	1.4
169.07614	0.8
171.02872	0.2
173.05974	0.4
176.04698	1.3
177.05475	2.2
177.95517	0.2
178.06258	2.4
179.07024	0.4
179.93916	0.2
180.07784	0.3
181.08653	0.3
182.09499	0.3
191.07016	3.9
192.07808	1.5
193.05037	0.3
201.05353	0.3
203.03395	2.1
205.12155	0.3
209.08083	0.3
210.08865	0.3
213.05383	0.4
229.04976	3.0
231.06503	0.2
241.04965	0.7
242.05725	6.4
243.06174	0.2
245.87129	0.2
253.05002	1.5
257.04440	42.9
258.05200	9.9
259.05591	0.3
261.25995	0.2
265.09604	0.2
267.06644	0.2
269.04474	1.2
270.05255	3.7
271.05981	1.6
279.26813	0.4
283.05838	0.2
285.03891	3.5
286.04715	22.6
287.05484	21.4
288.05914	0.6
288.84848	0.2
291.26917	0.5
295.06223	0.4
297.03955	3.1
297.24295	0.2
298.04468	0.2
299.05502	1.4
300.06305	1.3
301.07077	0.5
311.05426	0.3
313.07104	0.4
315.25238	0.2
323.05484	0.4
327.05020	1.8
329.06631	0.2
335.09473	0.6
335.13602	0.4
341.06500	2.8
343.09875	0.3
345.07819	0.2
345.24051	0.2
349.07095	0.5
355.15436	0.8
359.09253	0.3
363.13425	0.2
371.08740	0.2
373.06900	0.3
375.08386	0.3
387.08823	0.3
391.08063	0.2
403.08115	0.2
416.08923	0.5
417.09583	0.3
419.07443	1.0
431.08057	0.2
444.08453	0.4
445.09418	0.8
447.07162	0.9
449.08438	0.4
461.08667	0.3
462.09610	1.1
463.10202	0.3
465.11844	4.2
472.78156	0.2
477.11823	15.3
478.12024	1.0
480.10214	0.2
495.12839	100.0
496.13141	4.5
584.63306	0.2
625.22693	0.2
657.17871	2.5
657.34589	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	657.292
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12543	5.7
69.12959	11.5
72.56765	2.5
108.94134	2.8
114.01061	2.5
143.27605	3.1
199.53325	2.6
202.98822	2.6
273.14102	3.1
275.15515	3.7
291.53943	2.8
318.15683	2.8
349.15021	2.9
379.19476	5.1
380.16705	3.5
391.19470	4.0
392.20264	4.5
393.16891	4.0
407.18375	5.9
408.19266	5.2
409.20267	8.6
421.19937	5.0
422.20853	6.2
423.21936	20.6
433.20178	3.1
435.22372	6.1
435.67252	3.1
436.22870	4.9
437.23398	6.1
446.13449	2.9
446.20932	4.5
447.22055	3.2
449.23633	5.7
450.23874	2.6
451.21112	5.7
454.21115	3.6
461.23633	6.0
463.21234	4.7
464.22241	3.2
465.23163	5.5
477.22626	8.4
479.24194	8.6
481.22220	3.1
493.22241	8.6
495.23935	9.7
496.24274	5.7
505.21777	2.8
508.25104	17.1
509.25964	13.5
510.26376	12.8
511.26886	13.8
521.25452	3.5
522.25806	3.6
523.23541	3.1
526.29199	3.3
537.24689	17.8
538.25586	10.6
553.27850	5.6
565.23804	4.0
581.27448	18.3
583.25018	6.1
597.27063	40.9
598.27234	5.1
613.30072	63.3
625.26550	100.0
626.27673	5.4
657.29474	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	657.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05213	1.1
54.63767	1.2
69.11138	9.2
80.05058	1.3
81.07058	1.9
98.23427	3.2
113.46326	1.4
130.06541	2.1
155.97337	1.5
180.14334	1.4
201.85913	1.5
209.10710	1.5
221.10782	1.9
223.12419	3.6
234.11629	1.9
235.12433	2.8
237.13860	1.8
247.12189	2.8
249.13879	2.9
259.12286	1.6
261.13882	3.4
272.12692	1.4
273.13739	3.2
275.15408	1.6
287.15366	2.4
288.15656	2.3
318.16037	2.0
326.16736	2.2
328.14548	1.9
332.14032	1.8
336.15399	1.5
338.16772	1.9
339.17273	1.5
340.17923	2.1
341.18314	1.4
350.15881	1.4
351.16086	1.7
352.17926	2.4
354.15851	1.6
363.16324	3.1
364.17365	3.8
365.17734	4.0
366.19644	2.1
372.16675	1.5
375.16174	2.5
376.17630	1.8
377.18109	6.8
378.19058	4.1
379.15009	1.8
379.19406	8.0
381.21161	2.4
388.18121	1.6
389.17734	2.7
390.18768	2.4
391.19147	5.5
392.20190	5.0
393.16940	4.9
393.21127	3.3
394.18066	3.7
395.18454	2.0
403.19629	2.1
405.20871	4.8
406.21881	2.5
407.18506	5.5
407.22510	4.5
408.19186	6.5
409.20047	11.5
410.18640	1.7
418.17938	2.1
419.18414	4.7
420.19687	3.1
421.19653	10.3
422.21066	12.6
423.21851	27.2
424.22763	3.7
431.18515	2.6
433.20227	4.9
434.21124	1.7
435.22205	13.0
436.22852	6.7
437.24030	6.4
438.21033	2.2
442.21344	1.8
446.21024	3.2
447.21780	4.7
449.23608	4.7
450.23785	4.8
451.20801	7.9
453.23148	3.3
454.20087	3.7
461.23831	9.6
462.20551	4.3
463.21255	6.3
464.22064	2.7
465.23224	6.7
466.23294	2.8
467.24887	3.7
468.25073	4.8
476.22546	2.1
477.22946	6.6
478.23438	4.1
479.24136	8.2
480.22424	2.0
481.22205	3.0
482.23074	2.3
491.20358	2.5
493.21381	10.0
494.25925	5.8
495.23712	19.8
496.24719	6.3
497.25439	1.8
505.22089	1.9
507.23309	4.3
508.24734	18.7
509.25995	16.8
510.26477	13.2
511.27151	18.2
514.46118	1.5
519.24036	2.4
521.25159	5.6
522.26086	4.7
523.22797	6.6
525.27850	1.5
526.28864	2.5
537.25098	23.4
538.25684	13.4
539.25085	1.8
549.24933	1.7
553.28973	7.2
555.25977	3.1
565.24475	3.5
570.28290	3.9
581.27411	20.8
582.27148	1.4
583.25311	6.2
597.27106	44.1
598.27399	8.0
613.30164	77.0
614.30212	6.5
625.26520	100.0
626.26807	9.6
657.29236	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	657.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69106	0.6
53.03939	1.2
55.01861	0.9
55.05504	1.9
57.03432	0.9
57.07087	0.9
59.93309	0.6
67.05489	3.5
69.03416	2.9
69.07076	3.2
69.95676	1.5
73.51797	0.8
79.05492	4.4
80.05850	0.7
81.03417	2.3
81.07059	7.7
83.04978	1.2
83.08608	1.7
85.02907	2.9
85.06544	1.3
91.05480	2.9
93.07039	3.9
95.04976	2.2
95.08600	6.3
97.02895	2.3
97.06514	1.0
103.10287	0.8
105.07036	3.5
107.04983	2.1
107.08616	3.2
108.08932	0.7
109.02898	1.1
109.06551	1.5
109.10165	4.8
111.08071	0.7
115.03935	0.9
117.03403	0.9
117.06983	0.7
119.08603	3.0
121.09359	0.6
121.10111	3.5
122.08284	0.6
123.08070	0.9
123.11724	2.7
130.06520	1.1
131.04898	1.2
131.08598	3.5
133.04933	0.7
133.10139	1.6
135.04427	1.5
135.11699	1.3
137.06006	1.4
137.09578	1.7
137.13225	1.3
145.02855	1.5
145.10156	1.3
146.06012	0.7
149.09618	16.5
149.13211	1.7
151.03874	1.0
151.07594	1.1
153.01883	1.3
157.10135	0.7
159.04477	1.1
159.11734	0.8
161.09621	0.9
163.03912	6.9
163.07600	0.8
165.05470	2.3
165.09109	13.4
166.09590	1.1
167.07047	1.8
173.02409	1.0
173.06044	0.8
177.05511	0.7
182.27809	0.7
187.04022	1.0
187.11327	1.0
188.02356	0.7
202.07437	0.7
205.12262	1.5
209.08182	0.9
213.05530	1.5
235.13213	1.3
248.19487	0.7
253.04770	0.8
257.04428	1.1
267.13895	1.2
271.06064	3.4
279.26953	1.6
287.05588	3.6
292.27310	1.5
311.12808	1.0
329.79340	0.7
333.08011	1.4
335.09476	10.6
345.24155	3.8
347.25699	1.1
355.15369	9.7
363.25137	0.9
373.16428	2.0
441.33685	3.3
459.34781	1.8
477.15771	1.2
495.16290	2.7
518.51440	0.7
525.30145	1.2
657.34393	100.0
658.35388	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	657.376
Annotation	Mauritine J
Peak:m/z	Relative Intensity
55.05505	1.4
55.05761	0.4
59.89183	0.4
65.80294	0.3
67.05505	1.7
69.07058	1.2
69.41306	1.5
69.41716	0.8
79.05486	0.8
81.07059	1.6
82.07391	0.4
91.05473	0.8
93.07037	1.1
95.04997	0.6
95.08604	0.9
98.23399	1.0
98.98435	0.4
105.07066	0.9
106.06546	0.8
107.07342	0.8
107.08603	0.8
108.08159	0.8
109.10159	0.5
119.08604	0.6
124.11223	0.5
125.00006	0.6
134.09673	1.0
135.10452	4.9
136.10818	1.5
146.97504	0.5
150.12782	0.7
178.15913	6.9
179.16270	2.8
180.17509	1.6
181.17810	0.5
202.16016	0.8
204.10149	0.5
205.08398	0.6
211.51001	0.4
221.11552	1.8
222.11255	2.5
222.18604	1.2
263.12576	1.8
276.13647	8.5
277.13943	5.1
320.08972	3.9
320.16232	11.1
321.16565	6.9
331.18848	0.5
333.20352	0.7
337.27280	0.7
365.16235	0.7
375.25269	0.6
497.28448	0.9
555.32764	0.6
571.33014	0.6
613.41003	0.8
639.39319	0.7
657.37634	100.0
658.38043	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	657.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05530	1.2
69.63495	3.3
70.57259	0.9
81.07073	1.8
91.05493	1.2
93.07095	0.9
95.08612	1.0
102.55354	1.1
134.09677	1.2
135.10487	2.9
136.10770	0.9
178.15990	2.9
179.16391	1.2
180.17517	1.8
221.11472	2.3
222.18587	1.0
247.05334	1.1
263.12674	2.8
276.13812	3.2
277.14059	1.0
320.09277	1.5
320.16251	2.4
321.16449	2.3
324.53027	1.0
331.18976	2.8
333.20407	1.9
352.89813	1.0
497.29065	3.1
503.29559	1.2
551.25671	2.1
565.26294	1.1
571.32446	4.7
597.29425	1.3
611.28479	1.8
613.40369	2.3
639.38916	1.8
657.38715	100.0
658.38794	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	657.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06583	0.8
71.42902	0.6
80.32305	0.5
88.07641	0.6
104.10748	1.4
105.11089	0.8
114.04400	0.5
149.02361	1.3
149.77383	0.5
172.68094	0.5
193.05049	0.6
249.14758	0.5
256.26355	1.1
257.85022	0.5
274.40698	0.5
275.23764	0.5
302.96353	4.4
320.08667	0.5
331.18835	1.7
347.18765	0.6
349.19739	1.6
657.24139	6.2
657.39716	100.0
658.24573	1.1
658.39050	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	657.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12560	1.0
58.27780	1.1
69.41948	4.8
69.42294	1.9
84.13375	1.0
94.34678	1.1
105.72785	1.0
109.14918	1.0
125.04281	1.2
153.01883	1.6
183.28232	1.2
184.07394	1.7
197.98433	1.1
232.62830	1.3
301.14069	14.6
305.09763	1.4
333.20346	100.0
334.20724	2.8
335.23059	1.1
347.14240	2.3
347.18323	32.7
347.22507	2.4
348.18634	1.3
351.20032	1.9
444.11249	1.2
479.29724	1.3
657.38257	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	657.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22223	0.6
65.77766	0.6
67.05500	1.4
69.07049	0.9
79.05515	1.2
81.07075	1.1
91.05488	1.0
93.07061	1.7
107.08622	0.7
127.22416	0.7
131.08623	0.9
135.10500	0.8
159.07819	0.8
187.07640	0.7
195.09940	0.9
221.11528	1.8
222.11256	1.1
249.11063	0.9
263.12598	1.1
276.13925	0.8
277.14258	0.9
291.19687	0.8
320.09113	1.6
320.16437	1.5
331.18979	2.5
332.19205	1.1
333.20355	11.4
347.18472	2.1
413.22940	3.6
469.29288	1.6
497.28723	34.4
498.29358	2.3
503.29742	0.8
529.31580	1.5
551.26025	0.7
571.32739	2.6
611.35950	1.8
639.38959	4.0
657.39563	100.0
658.39868	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	657.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	0.4
80.94863	0.5
90.86006	0.2
115.22639	0.2
137.05719	0.3
154.27887	0.2
159.30455	0.3
208.12350	0.3
306.40140	0.2
331.18857	0.8
338.46985	0.3
349.19864	2.3
447.57578	0.3
529.31451	0.9
543.32947	0.6
639.38623	0.4
645.10840	0.2
657.39691	100.0
658.40070	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	657.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59682	0.6
55.07740	0.7
58.89577	0.6
67.05489	0.8
70.60634	1.6
83.08659	0.7
111.08260	0.7
119.08702	0.7
185.10992	0.7
202.15941	1.6
210.37766	0.7
244.20596	0.8
250.80693	0.8
301.74448	0.7
315.19470	1.4
315.66986	0.7
320.23337	0.7
333.20490	0.8
365.23148	3.7
418.80261	0.7
657.43500	100.0
658.43976	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	658.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03218	0.6
55.01865	0.8
55.05517	0.6
57.03436	8.0
59.04993	1.6
60.04517	2.0
60.15151	0.5
61.02908	1.2
63.16927	0.6
67.05502	1.1
69.03430	28.4
70.06595	1.0
71.01360	0.8
71.04994	0.9
73.02916	1.2
75.04474	0.8
78.55245	0.7
79.63348	0.6
81.03411	1.4
81.07039	1.5
83.04961	0.9
85.02906	18.6
87.04468	16.0
91.05476	3.5
95.05004	1.5
95.08604	1.4
97.02892	22.3
99.04475	1.0
103.05466	14.9
105.07021	1.7
107.04940	1.4
109.02850	0.9
109.10198	1.0
111.04441	0.9
115.03932	26.4
117.03419	0.7
117.06971	0.8
119.04955	2.3
119.08559	1.0
120.08115	0.7
121.06502	2.2
122.03687	1.1
123.04411	2.2
123.11692	1.4
125.02325	0.6
127.03909	3.3
129.06964	1.3
131.04926	76.9
132.05302	1.7
133.02881	1.2
133.04965	27.2
133.06514	1.5
135.04428	1.2
137.05972	21.9
138.06346	0.8
143.08568	0.8
145.04944	3.1
145.06467	1.0
147.04416	19.3
147.05585	1.2
147.08035	3.8
149.05981	4.3
150.07626	10.5
151.03949	1.4
151.07556	6.0
153.01782	3.9
153.05469	0.7
157.05070	0.6
157.06468	0.8
159.08089	1.2
161.05968	5.7
162.06721	3.1
163.03940	4.8
163.07545	100.0
164.07898	2.0
167.07068	1.4
169.04990	0.7
171.08041	1.0
173.06017	1.4
175.07547	14.3
177.05469	1.9
177.09175	0.8
179.07056	2.2
181.04924	0.7
184.07373	0.8
185.06020	0.8
187.07523	4.0
189.09106	1.2
191.07021	1.5
193.08606	29.4
194.09027	0.7
195.08000	0.8
199.07545	3.7
203.06996	0.6
205.08583	2.6
205.10205	0.7
209.08086	0.7
213.09163	0.9
217.08604	2.4
219.21089	0.8
221.06068	0.7
225.09171	1.4
235.09674	2.3
241.06903	1.1
245.08156	0.8
247.09688	1.4
253.08530	1.4
257.08011	0.7
259.07935	1.4
266.09372	0.7
267.10147	0.9
271.09750	2.4
273.11163	1.3
273.80356	0.8
277.09204	0.9
283.09677	1.5
287.05551	0.8
289.10794	4.6
295.10196	1.3
295.39020	0.7
297.11246	1.9
299.12808	3.1
311.12723	2.1
317.13849	21.9
318.14105	0.7
321.11282	0.8
323.12778	1.2
329.13745	1.0
335.12640	0.7
341.13916	1.8
347.14993	1.7
348.05548	0.7
370.49353	0.8
371.15244	3.0
383.15268	0.8
395.14749	2.6
407.15024	1.2
413.15955	3.4
425.15909	3.6
443.17105	2.5
484.29709	0.6
640.06207	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
55.05510	1.0
57.03432	4.1
57.07073	0.9
59.05005	2.6
61.02927	1.0
67.05504	3.1
69.03431	14.8
69.07067	0.5
69.65810	1.3
71.04984	0.7
73.02921	2.5
79.05491	7.5
81.03433	1.8
81.07056	22.3
83.04998	0.8
85.02905	14.1
87.04468	7.8
91.05477	2.8
93.06454	0.8
93.07046	13.1
95.04965	2.4
95.08613	12.0
97.02891	14.1
97.06539	1.9
98.22619	0.6
99.04432	0.7
105.07040	6.3
107.04954	2.6
107.08597	5.9
109.02881	1.7
109.06502	1.8
111.04465	1.0
115.03926	12.3
119.08597	2.5
121.06526	1.3
121.10146	100.0
122.10478	2.2
123.08105	1.6
123.11705	24.6
125.05990	7.3
127.03931	2.0
131.08545	0.9
133.04976	10.4
133.07623	0.7
137.05991	0.9
139.11179	12.5
140.07076	0.8
145.04955	3.9
145.10132	0.9
147.08063	0.8
149.09622	15.1
151.03918	0.9
158.56142	0.6
161.06026	0.9
163.03880	2.3
163.06015	1.5
167.10680	73.5
168.11044	1.5
177.05325	0.8
183.37056	0.6
185.11737	16.8
194.30913	0.5
217.12083	0.8
224.11377	0.5
259.08109	1.1
277.09122	0.6
281.13788	1.7
283.15341	0.7
283.73831	0.6
293.13852	0.7
295.10269	0.8
299.14816	4.7
311.14896	4.5
325.11078	0.7
329.15900	7.3
334.12717	1.5
358.12665	0.6
376.13818	1.1
496.18033	0.9
659.20581	0.8
689.28723	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03143	0.7
53.03947	0.8
55.01875	2.3
57.03430	1.1
61.02914	1.2
64.22581	0.7
67.05498	2.7
68.99765	3.9
69.03422	6.4
69.07056	0.8
69.21676	3.9
69.91902	0.6
71.01338	1.6
71.04990	1.3
79.05506	3.8
81.03420	5.7
81.07042	1.9
83.01350	2.1
83.04972	2.1
85.02901	9.1
89.03908	3.9
91.05465	4.1
91.14754	0.6
93.03429	1.0
93.07011	0.9
95.04977	6.0
95.08584	1.0
97.02895	5.4
97.06523	0.8
99.04457	0.7
103.03917	0.7
103.05436	4.5
105.03394	1.5
105.07031	2.4
107.04942	5.9
107.08566	0.8
109.02856	7.2
109.06506	1.9
109.10117	1.2
111.00806	1.0
111.04437	4.6
115.03899	0.6
115.05445	1.9
117.03383	6.6
117.07007	2.7
119.04906	1.5
119.08556	0.7
121.02849	6.3
121.06493	2.8
121.10135	0.8
123.04443	6.8
123.11613	0.7
125.02359	3.0
127.03913	1.9
129.07002	1.5
131.04927	4.6
131.08582	1.4
133.02864	1.2
133.06415	0.9
135.04407	17.4
135.08092	0.7
137.02324	3.3
137.05986	5.0
139.03896	56.6
140.04196	0.8
140.06911	0.7
141.01791	1.1
141.06992	1.4
143.04892	1.9
145.02847	12.1
145.04909	1.0
145.06461	7.4
147.04390	2.8
149.02318	4.1
149.05978	5.5
151.03899	5.8
151.07526	0.6
153.01830	9.2
153.06935	1.1
155.04834	1.3
157.06509	1.5
159.04414	5.7
159.08069	1.8
161.02368	0.7
161.06000	1.1
163.03896	100.0
164.04262	1.5
165.01823	22.9
165.05460	21.5
165.09090	0.7
166.02074	0.8
167.03403	1.2
167.07050	1.1
169.06491	2.3
171.03088	0.6
171.04396	2.8
171.08025	1.4
173.05991	10.9
174.06310	0.8
175.03830	1.5
175.07567	0.9
177.01834	1.4
177.05472	4.5
178.99817	1.2
179.03375	27.3
180.87932	0.7
181.01257	1.4
181.04991	1.0
181.06488	1.9
183.02896	9.7
183.04390	1.5
185.05962	3.6
187.03830	2.1
187.07542	2.7
189.01822	6.4
189.05447	1.5
191.03374	26.2
191.06984	4.5
192.03693	0.9
195.04364	1.0
197.00734	2.3
197.04381	1.5
197.05977	2.2
199.03899	2.9
199.07590	1.3
201.05463	12.2
203.03320	5.1
203.07077	0.9
205.01312	1.7
205.04950	9.2
207.02893	3.9
209.04384	17.6
209.06059	3.2
209.08138	2.4
213.05463	3.8
215.03342	0.7
215.07031	2.6
217.04926	2.4
219.06474	3.7
225.05461	2.1
227.03409	3.8
227.06976	2.4
229.04973	9.7
231.02989	1.2
231.06502	13.9
233.04564	0.8
233.08157	0.8
235.02359	1.8
237.05618	4.3
239.03432	1.2
240.04239	1.0
241.04938	14.1
243.02826	1.0
243.06488	3.5
245.04472	3.7
247.06174	0.9
255.02795	1.6
255.06529	13.9
257.04416	2.3
257.08041	0.9
258.05313	0.7
259.02173	1.3
259.06055	8.2
265.04965	9.8
267.06494	2.0
269.04370	3.1
271.05853	1.0
273.03943	22.2
273.07291	1.7
277.03378	1.3
281.08209	0.8
282.05112	0.8
283.05984	27.4
285.04065	1.2
285.07590	2.2
286.04581	1.7
287.05475	3.7
289.06989	4.5
293.04437	8.2
297.07657	1.1
299.05499	3.8
299.25949	0.7
301.07080	18.4
303.08517	1.4
306.36041	0.6
309.03918	1.3
309.07169	0.7
311.05469	49.3
312.05853	1.7
313.07330	0.7
315.05038	1.1
315.08463	9.4
325.07016	4.9
327.08630	21.6
329.06528	31.5
333.07343	0.7
339.08594	1.4
341.06625	0.9
341.10092	4.4
343.07999	8.6
347.07507	4.2
355.08139	0.7
361.09109	10.9
365.10321	4.8
367.11685	2.5
377.10257	4.3
381.09650	0.7
391.11734	1.5
393.09567	1.0
395.06799	1.3
395.11533	6.6
401.10141	1.2
409.09140	18.8
419.11044	5.0
421.13028	1.1
423.10428	1.0
429.09677	4.6
437.12271	2.8
447.10721	51.5
448.10968	2.8
451.13980	1.9
461.12411	4.6
465.11783	80.3
466.12161	4.0
479.13342	32.0
480.13593	1.7
497.14410	32.0
498.14627	1.2
658.34790	0.8
659.18207	0.9
659.35455	1.0
683.43817	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19348	0.5
55.05502	2.1
60.32314	0.5
65.90934	0.5
67.05508	3.0
69.07055	1.0
71.01832	0.5
74.71626	0.5
75.55573	0.5
79.05496	3.0
81.03418	0.8
81.07059	3.6
83.08621	0.9
91.05497	2.8
93.07050	1.9
95.04979	0.9
95.08601	2.0
105.07022	1.4
105.27100	0.6
107.08565	0.7
109.10158	1.2
119.08600	1.2
121.02927	0.5
121.10144	1.3
129.07088	0.5
133.10097	0.7
153.01833	9.5
155.61784	0.5
165.05490	0.7
165.09103	1.9
179.03453	0.5
211.97591	0.6
213.05507	0.8
228.62291	0.5
229.04997	2.1
241.13367	2.0
251.88098	0.6
253.04874	0.7
255.06517	0.7
257.04422	17.5
258.05219	18.1
259.05750	1.0
259.69241	0.5
269.12817	1.8
271.05945	1.4
283.06039	1.6
285.03946	1.0
286.04700	48.3
287.05457	21.1
287.28156	0.6
288.05725	1.0
295.05972	0.7
297.03970	3.9
297.07114	0.9
311.05518	5.0
313.06989	0.6
323.05307	3.0
325.07327	1.1
337.07031	4.1
349.07193	0.6
351.08908	0.9
407.14932	1.4
435.14270	1.7
451.17459	2.3
461.15927	4.5
479.17001	58.0
480.17279	3.5
497.18039	100.0
498.18335	5.9
550.79144	0.6
631.27789	0.8
632.61169	0.6
658.34882	0.6
659.24249	3.4
659.35077	3.0
668.99677	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10487	0.5
55.01880	0.6
55.05505	2.3
67.05500	4.2
69.03423	0.6
69.07059	1.8
79.05485	2.3
81.03420	1.1
81.07047	5.4
83.04974	0.6
83.08636	0.8
85.02880	1.1
86.09716	0.8
91.05479	2.3
93.07040	1.9
95.04957	1.0
95.08597	1.7
97.06516	0.7
98.22615	1.2
105.07039	1.3
107.08559	1.1
109.02895	0.8
109.10138	1.4
119.08562	0.9
121.10107	1.4
129.06960	0.8
131.08592	0.8
135.04402	0.6
137.05977	1.2
137.09662	0.6
149.09566	0.6
153.01820	17.6
155.04855	0.5
163.03900	1.6
165.01843	0.7
165.05460	0.9
165.09140	2.9
171.02856	0.6
173.06042	0.8
184.07367	0.7
209.08078	0.5
213.05394	0.8
229.04993	1.4
243.06512	8.9
243.11185	0.7
251.07065	0.9
257.04489	2.0
258.05228	3.3
271.05988	9.9
272.06683	2.2
279.06454	1.8
285.03864	1.9
286.04736	9.4
287.03381	0.5
287.05579	5.2
297.03912	1.4
299.05499	18.9
300.06085	4.5
301.06924	0.6
303.13602	0.7
307.05945	1.0
309.07339	1.0
310.04831	0.6
311.05484	10.2
313.03400	5.1
313.07077	2.2
321.07547	1.8
323.05499	7.1
323.09091	0.6
324.06128	1.6
325.07022	4.0
327.05060	0.8
327.08627	1.0
329.06592	1.7
331.04538	1.3
335.09427	2.7
337.07086	1.9
339.08545	3.9
341.06448	0.7
349.06921	1.6
350.07715	1.1
351.08597	1.5
355.16006	0.8
356.15845	0.8
363.08496	2.0
365.09915	0.6
377.10086	0.8
423.17963	5.6
433.16467	5.3
451.17514	19.8
452.17822	0.8
461.15961	23.0
462.16660	1.3
479.16995	65.4
480.17343	1.7
497.18036	100.0
498.18497	5.4
553.05695	0.6
604.80927	0.6
609.23596	0.7
659.23364	2.3
659.36151	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	659.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01812	0.4
55.05449	2.9
55.05740	0.3
57.07022	0.3
59.13189	0.2
59.77408	0.1
67.05430	0.8
67.05746	0.2
68.99754	0.3
69.03359	0.5
69.03728	0.2
69.06997	1.7
69.29884	0.2
71.04982	0.2
71.08580	0.2
71.11163	0.1
71.31853	0.2
79.05499	1.2
81.03339	0.4
81.07057	2.8
82.07335	0.3
82.55634	0.2
83.04932	0.2
83.08610	0.8
85.02825	0.6
85.06474	0.4
91.05402	0.6
93.06962	0.7
95.04876	0.4
95.08607	2.9
97.02807	0.6
97.06496	0.3
97.10083	0.6
99.04421	0.2
99.08002	0.3
103.05387	0.3
105.06949	0.5
107.04862	0.4
107.08581	0.7
107.26760	0.2
107.79478	0.2
109.02779	0.6
109.06474	0.2
109.10158	1.7
111.11644	0.5
115.03848	0.3
117.03299	0.3
119.08503	0.2
121.06446	0.4
121.10090	0.3
123.04382	0.4
123.11723	1.0
125.09579	0.3
125.13166	0.4
125.26321	0.2
127.03917	0.3
131.04901	0.4
133.10097	0.3
135.04395	0.4
135.11620	0.5
137.05975	0.8
137.09621	0.2
137.13255	1.0
139.03850	0.4
145.02829	0.2
149.05873	0.2
149.13164	0.5
151.03806	0.2
151.14708	0.3
153.00665	0.3
153.01819	4.4
155.03299	0.3
158.83133	0.1
163.03864	0.9
164.06967	0.3
165.05386	0.4
165.09055	0.4
165.16248	0.2
167.06946	0.6
167.08365	0.2
169.15837	0.2
172.83519	0.2
173.05876	0.4
173.09616	0.2
177.01721	0.2
177.05400	0.3
179.03406	0.3
179.07002	0.4
179.12193	0.2
180.07175	0.2
181.04842	0.5
185.05882	0.2
187.07474	0.3
189.01785	0.3
193.08456	0.2
197.05968	0.3
201.05409	0.3
201.08983	0.2
209.08165	0.2
211.07465	0.3
213.05447	0.4
221.05757	0.3
237.05418	0.2
249.25760	0.2
251.38046	0.2
253.04892	0.4
257.04379	0.4
260.71326	0.2
265.04974	0.3
267.06522	0.4
269.04691	0.2
271.05981	1.9
272.06271	0.2
275.27386	0.4
281.04379	0.3
283.05792	0.2
287.05487	1.4
289.05905	0.2
293.28378	1.3
294.28845	0.2
295.05960	1.7
296.06589	0.2
297.03900	0.8
298.04648	1.3
299.05399	0.6
303.06384	0.2
308.06827	0.3
310.04611	0.9
311.05475	12.7
311.29459	1.0
312.05847	0.4
312.29767	0.3
319.05621	0.2
321.07663	0.3
323.05469	100.0
324.05945	4.1
325.06818	0.8
331.05954	0.2
335.05411	0.6
335.09232	0.3
337.07013	4.2
349.07037	3.7
350.07703	0.4
351.08517	0.6
353.06427	0.4
361.06976	0.4
363.08310	0.4
365.06311	0.2
394.90372	0.2
407.14883	9.2
408.15363	0.4
417.13406	1.4
435.14371	53.9
436.14716	2.1
451.17621	1.1
453.15417	16.2
454.15848	0.6
459.14267	0.2
465.12042	0.2
479.17111	5.0
496.12900	0.3
497.18137	22.4
498.18454	0.9
561.18402	0.2
609.23065	0.2
621.56946	0.2
658.35040	0.2
659.23553	3.3
659.35687	2.1
664.38770	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	659.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.4
55.05451	1.7
63.99664	0.4
67.01830	0.4
67.05502	4.2
68.99767	0.5
69.03387	0.6
69.07014	1.2
69.46867	1.6
72.91736	0.4
74.51651	0.3
79.05434	1.4
81.07061	3.7
81.52575	0.4
85.02851	0.4
91.05410	0.8
93.06984	0.8
95.04939	0.5
95.08536	1.1
98.22779	0.9
107.08530	0.9
109.10065	1.7
135.07956	0.4
139.03827	1.6
151.07452	0.9
153.01822	25.4
153.06937	0.4
157.06450	0.8
161.02177	0.5
161.05872	0.6
163.03848	0.8
165.01834	0.5
165.05391	0.6
165.06853	0.5
165.09042	0.9
166.08609	0.7
169.06422	0.9
171.04359	1.2
172.03809	1.3
172.05145	0.5
173.05925	0.8
177.05377	0.4
179.03372	0.8
183.04312	0.5
185.05962	1.9
187.03860	0.8
188.06041	0.4
197.05989	2.5
198.06813	0.4
198.09059	1.0
199.07451	0.6
204.06575	2.6
207.02858	0.4
209.06010	0.5
211.07451	1.4
213.05273	0.5
215.11781	0.9
225.05437	0.5
233.06001	0.6
237.05406	1.1
239.03258	0.5
239.07016	0.6
241.04903	0.9
243.11220	4.3
251.07011	0.6
253.04921	1.3
257.12799	0.5
258.05173	1.5
265.04965	2.7
266.05576	0.8
267.06433	1.4
269.04471	1.0
271.05927	2.1
275.06912	1.2
277.05017	0.4
279.06528	0.9
281.04309	2.2
282.05087	1.7
283.05795	0.5
285.12329	4.0
286.04605	2.9
287.05447	5.3
288.05725	0.5
291.06808	0.4
293.04611	0.7
293.07892	0.4
294.05280	1.1
295.05972	6.3
297.04007	3.4
298.04550	1.4
299.05399	1.6
303.06473	9.3
303.13412	4.0
305.08038	0.7
306.05142	0.8
306.89563	0.4
307.05905	1.6
309.04010	0.6
309.07419	0.9
310.04367	0.4
311.05472	7.6
321.03833	2.1
321.07553	3.0
322.04617	0.6
323.05484	25.8
324.06213	4.5
325.07007	1.6
325.11786	0.4
327.04971	0.8
331.05988	11.2
332.06647	1.1
334.04709	0.8
335.05502	2.0
337.07043	4.9
349.07043	9.2
350.07828	12.8
351.08408	1.6
363.08389	2.1
375.08615	0.5
377.10001	0.5
433.16455	31.0
434.16672	1.2
436.76932	0.4
443.14926	1.2
451.17551	2.3
461.15927	100.0
462.16385	5.0
479.17007	78.2
480.17297	4.6
497.18030	69.5
498.03516	0.4
498.18405	3.3
641.22992	1.3
658.34906	1.3
659.24054	3.5
659.34814	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	659.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.6
67.05507	2.1
69.07075	1.1
69.67472	1.1
69.67856	0.8
71.04986	0.6
71.32802	0.4
73.01461	0.5
79.05489	1.7
81.03437	0.6
81.07053	3.1
91.05482	1.2
92.05841	0.5
93.07060	1.5
95.04974	0.6
95.08624	1.5
98.23458	0.6
105.07031	1.3
107.04924	0.7
107.08603	1.1
108.28739	0.5
109.10192	0.9
119.08578	0.8
120.08030	0.5
121.10120	0.6
122.74039	0.4
128.11400	0.5
133.13803	0.4
137.05994	0.8
137.09599	0.5
147.04488	0.5
153.01820	8.1
159.11708	0.5
163.03949	1.5
165.09099	2.7
174.35391	0.4
181.04985	0.5
204.06595	0.7
209.08160	0.5
243.06526	2.5
243.11491	0.6
255.99171	0.5
257.04465	1.7
258.05243	1.3
265.09784	0.5
271.05948	6.1
272.06650	1.3
275.07266	0.7
279.06546	0.9
285.03931	0.8
285.12402	0.7
286.04694	3.6
287.05453	3.7
297.04141	0.7
299.05493	7.0
300.06247	1.9
311.05515	4.3
313.03503	1.9
313.06888	0.6
321.07593	0.7
323.05533	2.9
325.07083	1.7
333.08124	1.6
335.09436	9.4
337.07175	0.9
339.08838	1.9
347.25742	0.9
349.06909	0.5
350.07797	0.5
355.15820	0.6
363.08725	0.7
368.92517	0.4
423.18164	1.4
433.16550	1.5
451.17545	6.0
461.15994	8.5
479.17041	20.6
480.17484	2.2
497.18057	35.5
498.18341	3.8
527.31830	0.9
569.33191	0.6
659.36121	100.0
660.36530	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	659.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86235	0.9
56.20165	1.1
56.96565	15.9
69.85188	3.3
74.97620	1.7
77.00880	1.3
91.35894	1.0
97.96759	5.2
98.23432	1.1
98.97530	1.3
108.52693	1.1
110.97604	3.0
115.97849	2.7
119.08591	1.0
121.59723	1.0
128.98622	3.8
131.08563	1.3
133.98869	1.4
141.99413	1.3
146.99629	2.2
155.00168	1.7
171.03300	3.1
173.01251	1.1
185.01231	1.2
185.04886	3.5
185.06572	2.1
189.04321	1.5
198.05745	1.4
199.02805	2.9
199.06479	3.4
203.05965	3.7
205.07466	1.5
213.07922	5.8
216.03212	1.1
217.07466	2.8
221.08553	2.1
223.10168	3.9
225.08035	1.8
226.87247	1.1
227.05940	2.2
231.09074	4.6
237.04367	2.1
239.09506	7.4
241.11098	45.4
242.08302	4.8
243.14366	6.5
251.09645	2.1
253.11165	3.0
255.09018	2.4
257.10602	2.3
259.12180	39.5
260.09335	1.9
260.12646	1.2
264.12689	4.7
267.09103	4.5
269.10593	5.8
271.12347	1.5
279.09119	3.6
280.09875	3.9
282.13824	2.9
287.11569	1.7
289.14691	1.5
297.10080	5.3
298.10880	6.5
307.15884	1.9
312.08926	1.2
316.12018	3.1
331.15692	13.7
333.19537	2.1
337.16675	1.2
349.16821	80.8
350.17130	2.0
351.20145	12.6
363.58594	1.3
365.16556	1.2
367.17917	100.0
368.18362	3.5
372.18411	2.7
374.21817	2.1
385.19077	5.4
390.19537	18.5
391.19690	1.6
659.38239	68.1
660.38983	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	659.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17939	1.0
56.80892	0.9
56.96283	2.1
56.96565	41.5
68.60459	0.9
69.64329	2.8
69.64655	0.9
70.08395	0.9
71.95261	2.7
74.97626	1.0
87.94032	0.9
97.96833	1.4
98.22673	1.9
98.97620	1.5
105.00217	0.8
110.97583	3.5
113.55486	0.8
115.00692	1.8
119.01638	1.1
123.01248	1.3
127.00728	1.0
128.98595	3.6
133.01736	0.9
137.02800	2.4
139.00708	1.1
141.02242	2.5
146.99693	1.1
149.02740	1.1
153.02238	2.8
153.29875	0.9
155.03799	2.5
157.01768	1.0
167.03825	4.5
169.01671	1.6
171.03278	8.3
173.04941	2.3
181.05376	2.8
183.03282	1.0
185.04881	10.8
189.04375	4.0
189.05960	1.5
191.03699	1.0
193.05453	1.7
195.06966	3.6
197.04985	1.7
199.06418	13.8
203.05894	7.4
205.07390	1.6
209.04977	1.1
211.06407	4.4
213.08002	14.7
215.05946	1.0
217.05629	1.8
217.07465	9.7
219.06978	1.1
221.08530	3.1
223.06541	1.1
225.08015	6.5
227.09552	6.5
229.07547	2.8
231.06949	2.5
231.09079	9.4
234.08183	1.2
235.10011	1.0
237.07965	6.3
239.09503	5.8
241.11162	3.0
243.09084	4.2
245.10719	4.1
249.07964	8.2
251.09508	14.1
252.06557	1.1
253.11108	1.6
255.09047	34.1
257.10663	2.9
259.12170	1.4
262.08960	1.1
267.09036	46.7
268.09592	1.3
269.10602	77.2
270.10840	1.5
273.10083	14.1
278.10669	1.3
279.09180	2.2
280.09866	1.9
285.10086	49.8
286.10455	2.1
287.11664	20.2
290.10712	2.8
291.12753	2.2
292.12207	6.5
297.10254	1.0
303.11194	3.5
308.11774	2.1
310.13150	1.3
331.15765	16.1
337.03885	1.0
349.16849	50.8
350.17526	1.3
367.17917	100.0
368.18250	2.7
372.18509	1.9
385.19104	7.3
390.19485	9.4
463.23672	1.1
561.31018	7.4
609.71521	1.0
641.37280	1.5
659.38239	64.0
660.39081	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	659.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	35.1
70.88511	0.5
71.95215	1.7
72.96003	1.1
74.97559	0.6
81.07037	0.4
84.95987	0.5
84.99642	0.5
86.64180	0.5
95.80782	0.5
97.96789	1.2
97.99175	0.5
98.97543	1.5
105.00123	0.7
110.97513	2.4
115.00640	1.6
115.97812	0.6
119.01691	0.9
123.01189	0.9
128.98607	3.3
133.01683	0.8
134.27232	0.5
137.02702	1.9
139.00624	1.8
141.02206	1.2
143.00204	0.5
146.99609	1.0
151.00676	0.8
151.04305	0.5
153.02184	2.1
155.03729	1.4
157.01689	1.3
159.03210	1.5
165.02203	0.9
167.03754	2.8
169.01678	1.0
169.05363	0.9
171.03268	4.9
173.04851	1.4
175.02727	0.7
177.04329	0.5
181.05347	2.1
183.03250	1.4
183.06798	0.7
185.03343	0.7
185.04852	7.5
187.02750	0.6
187.06355	1.2
189.04376	3.3
191.09560	0.6
193.05333	1.6
195.06924	3.4
197.04893	0.6
199.06421	9.8
203.05899	6.4
205.05331	0.7
207.06891	2.0
209.04926	0.9
209.08588	0.7
211.06471	4.0
213.05925	1.2
213.07973	21.0
215.09782	0.7
217.05455	1.1
217.07408	9.2
219.03235	0.5
221.08479	1.7
223.06378	0.8
223.10036	1.1
225.07979	8.8
226.11864	0.5
227.09595	2.9
229.07390	2.8
231.06926	1.8
231.09016	16.9
233.77170	0.5
236.09604	1.6
237.04234	0.6
237.07970	5.4
239.09552	7.4
241.11081	2.1
243.09007	5.1
245.10564	2.3
248.09509	0.5
249.07980	4.8
251.09521	18.2
253.11235	0.6
254.10573	1.1
255.09027	25.4
256.09436	0.6
257.10663	3.7
259.12210	1.1
262.08624	0.7
262.11188	0.6
263.09409	0.6
267.09036	37.4
268.09268	0.7
269.10593	100.0
270.10956	1.4
273.10095	12.2
277.11124	0.7
278.10641	2.0
279.08948	1.4
280.09763	1.5
281.10626	0.6
285.10083	37.9
286.10349	0.7
287.11646	30.1
290.10623	2.8
292.09177	1.0
292.12167	9.3
297.10364	0.8
303.11197	3.2
308.11606	2.0
310.13245	1.4
331.15768	11.1
349.16827	32.1
350.17258	1.0
367.17917	78.9
368.18277	2.1
372.18500	1.7
385.18994	7.3
390.19479	9.9
424.20068	0.7
463.23807	2.5
479.22095	0.6
543.30078	0.7
547.29211	1.5
561.30969	14.0
562.31091	0.7
577.30463	1.3
641.36871	1.8
659.38293	55.8
660.38745	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	659.413
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55873	0.5
60.83417	0.5
67.05492	0.9
68.42857	0.5
68.95705	0.5
70.06590	2.1
70.07765	1.6
72.05238	0.5
73.90121	0.5
76.23857	0.5
81.07059	0.7
88.07659	3.0
93.07045	0.9
95.91886	0.5
98.23335	0.8
102.09175	1.4
103.09499	0.7
149.02344	4.7
150.02672	1.3
160.65164	0.5
193.04996	3.5
194.05321	1.4
202.53340	0.6
237.07272	0.7
249.11044	0.7
256.26331	3.8
257.26782	3.0
331.18570	1.1
342.06726	0.8
351.21399	1.5
385.09106	1.1
386.09546	1.4
422.12106	0.6
429.11902	1.5
430.11954	2.4
437.61929	0.6
543.32880	0.7
623.38141	0.7
641.40216	1.1
659.41675	100.0
660.41992	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	660.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01869	0.8
55.05507	3.4
57.03437	4.2
57.07081	2.3
59.04988	1.8
60.39880	0.4
61.02918	1.1
61.71282	0.5
63.51365	0.5
65.03912	0.6
67.05165	0.6
67.05508	11.2
69.03070	1.0
69.03429	16.3
69.07072	4.4
71.04991	4.0
71.43584	0.6
73.02929	0.9
74.72555	0.4
75.04455	0.7
79.05511	2.8
81.03394	1.6
81.07056	40.4
83.04984	0.8
83.08609	1.6
85.02408	0.8
85.02906	14.5
85.06543	11.5
87.04468	8.2
89.03927	0.6
89.06023	1.5
91.05482	1.3
93.07037	4.9
95.04963	5.1
95.08607	7.1
97.02889	15.3
97.06522	0.7
97.10172	4.9
99.04446	1.6
99.08072	1.0
100.44710	0.4
103.05397	0.8
105.07010	1.4
106.04153	0.9
107.08591	2.5
109.02889	1.8
109.06501	1.7
109.09418	1.0
109.10153	17.2
111.04449	0.5
111.08076	1.5
113.06001	0.8
115.03934	13.7
121.06494	1.8
121.10104	0.7
123.08092	0.9
123.11706	46.6
125.09630	2.9
127.03914	3.9
127.11194	25.6
131.04942	0.5
133.04970	11.1
133.10100	3.2
135.04430	0.6
137.05928	1.4
137.97081	0.6
141.12730	2.0
145.04939	4.6
149.05963	2.3
151.11177	12.8
161.05975	0.7
163.03888	1.5
163.06020	1.6
169.12234	100.0
170.12563	1.1
177.05484	1.2
181.04890	0.9
187.13290	75.4
188.13623	1.0
209.08081	5.3
259.08023	1.1
295.10229	1.9
301.16449	6.9
313.16391	0.5
331.17502	16.4
349.18704	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02347	0.4
52.89044	0.4
53.03941	0.8
55.01869	2.6
55.05265	0.5
55.05507	5.2
56.09754	0.4
57.03434	4.8
57.07070	2.1
59.04990	1.0
59.57194	0.4
61.02921	2.7
65.03919	0.6
67.05502	9.9
69.03427	9.1
69.07064	2.4
69.47929	1.2
69.48319	0.8
71.01334	1.2
71.04990	5.3
73.02538	0.8
73.02915	9.1
79.05491	2.9
81.03403	1.9
81.07055	48.3
83.08600	1.5
85.02902	23.3
85.03352	0.3
85.06542	4.9
87.04459	1.4
89.06019	1.5
91.03931	1.0
91.05454	1.1
93.07046	5.1
95.04973	3.6
95.08028	0.6
95.08604	10.2
97.02892	15.7
97.09599	0.5
97.10170	6.8
99.04446	1.6
99.08088	1.2
102.27193	0.5
103.03933	0.7
105.07020	1.0
107.08579	2.5
108.11077	0.5
109.02890	2.2
109.06494	1.6
109.10145	5.1
111.08069	2.0
113.05997	1.2
115.03926	5.2
121.10133	1.1
123.11703	54.5
124.12021	0.9
125.09610	0.6
127.03915	7.2
127.11184	5.8
133.04970	8.0
133.10138	3.0
137.05992	0.9
141.12723	2.9
145.04950	9.2
151.11171	11.3
152.07059	0.5
152.11490	0.6
163.03908	2.7
163.06018	4.1
164.04272	0.5
165.09187	0.5
167.06987	0.5
169.12233	79.5
170.12564	1.5
180.08701	0.5
187.13287	100.0
188.13632	2.2
223.06015	1.0
241.07094	1.4
248.08823	0.5
259.08179	4.5
277.09149	0.8
283.15558	0.8
295.10388	3.8
301.16443	4.5
313.16486	1.1
331.17456	4.2
349.18542	0.7
410.05313	0.4
427.89343	0.6
447.05170	0.5
660.24341	0.7
672.88733	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
55.05513	0.4
57.03429	0.6
57.98614	0.2
67.01866	1.5
67.05494	0.8
68.99785	1.3
69.03422	0.7
69.07052	0.3
70.52076	0.4
79.05489	0.8
81.03410	0.7
81.07069	1.0
83.01348	0.3
83.08630	0.3
85.02899	1.6
91.05472	1.0
93.07026	0.6
95.04961	0.6
95.08597	0.5
97.02884	0.7
97.06531	0.4
105.07029	0.6
107.04961	0.3
107.08600	0.5
109.02888	0.2
109.10160	0.4
111.00796	0.8
115.05479	0.2
117.06977	0.2
119.08604	0.5
121.02887	0.9
123.04419	0.9
125.02348	0.4
125.09606	0.2
127.03918	1.8
128.65181	0.2
131.08585	0.4
133.02859	0.2
133.06476	0.3
133.10127	0.6
135.04385	0.4
135.11774	0.2
137.05951	0.3
139.03848	0.3
141.06992	0.4
143.08621	0.2
145.06540	0.3
147.04373	1.0
147.11697	0.3
148.07616	0.2
149.02354	0.3
149.05957	0.4
151.03934	0.7
153.01826	100.0
154.02161	1.6
157.06511	0.3
160.05150	0.2
163.03940	1.6
165.01801	1.4
165.05583	0.3
165.07002	0.2
167.03398	0.6
169.06471	0.4
171.02921	2.6
171.08136	0.3
173.06067	1.1
175.03926	0.6
175.31860	0.2
177.01842	5.6
179.03387	6.4
181.06560	0.2
183.02864	0.6
183.08110	0.2
185.06001	0.5
187.03999	0.7
187.07553	0.5
189.01848	0.7
189.05389	0.2
191.03357	1.6
193.04959	0.4
195.02890	5.2
197.05934	1.0
199.03880	2.6
199.07497	0.4
201.05479	0.4
203.03389	0.9
205.04932	0.4
207.02863	0.4
209.04404	0.3
211.07558	0.4
213.05463	0.7
213.09117	0.3
215.03375	0.3
217.04991	0.7
219.02907	4.1
223.03896	0.7
223.07481	0.2
225.05467	1.6
227.06961	0.3
231.02875	1.2
233.04454	0.4
239.07080	0.6
241.05034	0.3
243.02895	0.7
249.03621	0.4
249.05838	0.3
253.08612	0.3
261.03979	1.9
267.13745	0.2
279.04962	0.8
285.14853	0.4
287.05353	0.5
297.06226	1.1
301.12103	0.3
309.15039	0.4
311.16318	1.4
314.28226	0.2
319.13156	0.5
329.17465	0.5
337.14337	4.0
338.14682	0.4
355.15244	1.1
362.74323	0.2
385.13028	0.3
445.16403	1.2
463.17520	9.8
464.17725	0.6
481.18546	7.6
481.23679	0.2
482.18967	0.5
487.17673	1.1
493.18719	0.6
499.19431	1.4
505.18585	0.7
511.18509	0.3
517.21472	0.2
529.18671	0.3
547.19373	0.6
565.20325	0.3
571.19513	0.4
577.20801	0.8
589.20374	0.4
629.22058	0.7
661.25293	0.4
661.36145	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	661.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.6
55.01865	2.2
55.05504	2.9
57.02957	0.6
57.03435	6.1
65.03928	1.5
67.01840	1.0
67.05502	5.2
68.99771	3.7
69.03411	3.2
69.07057	1.9
69.22079	2.9
71.01344	0.6
76.15530	0.7
79.05495	4.2
81.03419	4.3
81.07059	5.3
83.04993	1.1
83.08613	1.7
85.02900	17.6
85.06545	0.6
89.03883	0.6
91.05482	2.8
93.03403	1.6
93.07047	3.0
95.04963	5.9
95.08586	3.8
97.02871	3.8
97.06469	0.7
97.10141	0.7
98.22639	1.1
99.04414	0.6
100.85596	0.6
103.05461	1.2
105.03355	0.9
105.07027	2.4
107.04932	1.7
107.08598	1.8
109.02902	3.6
109.06480	0.6
109.10141	1.9
111.00799	1.4
111.04444	0.8
114.37981	0.6
115.05432	0.6
119.08556	1.3
120.08114	2.4
121.02052	0.9
121.02862	10.4
121.06486	0.8
121.10111	1.5
123.04409	8.1
125.02320	2.8
125.09624	0.7
127.03902	2.7
129.07010	1.7
131.04947	1.3
131.08566	1.1
133.10101	1.2
135.00783	1.5
135.04393	3.9
135.08000	0.9
135.11758	0.8
136.07590	0.7
137.02295	1.0
137.05951	1.1
138.09123	1.5
139.03894	6.2
141.01828	1.0
141.05438	0.8
141.07005	0.9
143.08553	0.7
145.02852	0.8
145.04919	1.2
145.06496	0.8
145.10106	0.7
147.04379	3.1
147.11694	0.9
149.02365	4.5
149.05977	2.5
149.13295	0.8
151.03911	5.4
151.07547	0.6
153.01817	100.0
154.02155	2.4
155.03429	0.8
155.08554	1.0
157.06476	1.4
159.04500	0.9
159.11621	0.8
161.02290	0.9
161.05977	4.3
163.03902	19.4
163.07559	1.3
164.04291	0.6
165.01836	18.1
165.05461	1.7
165.06929	0.9
165.09108	1.2
167.03398	1.9
167.07121	0.8
167.08525	1.1
169.04997	0.6
169.06474	1.5
171.02928	4.3
171.08086	0.7
173.05977	29.1
174.06297	0.8
175.03893	2.0
175.07544	1.7
175.09343	0.5
177.01820	51.6
177.05417	2.5
178.02124	1.0
179.03384	5.7
179.08615	0.8
181.04955	3.5
181.06483	2.0
183.02893	10.1
183.07951	0.9
185.05972	2.9
187.03909	3.3
187.07529	6.0
189.01845	1.8
189.05460	2.7
191.03380	21.8
192.03809	0.8
193.01340	0.9
193.04916	2.5
193.06479	0.9
195.02878	49.7
195.08017	1.2
196.03215	1.7
197.06000	2.7
199.03983	0.7
199.07544	7.2
201.01741	0.6
201.05453	9.1
201.09163	1.3
203.03352	4.3
205.01318	0.9
205.04958	7.8
207.02802	3.5
209.04437	1.6
211.07565	4.3
213.05478	3.9
213.09052	2.9
215.03394	4.2
215.06989	1.4
217.01271	1.2
217.04938	5.5
219.02872	49.5
220.03242	1.6
221.04457	1.8
223.07639	0.8
225.05453	1.9
225.09030	1.2
226.06274	0.7
227.07030	3.0
229.04936	6.2
231.02878	9.4
231.06451	1.3
233.04404	2.5
235.05923	2.3
239.07103	1.3
239.10738	0.7
241.04971	1.2
243.02893	6.5
243.06506	1.4
245.04362	2.1
247.05975	1.2
247.11218	0.6
249.03903	8.5
249.12781	1.2
253.04979	1.2
257.04630	0.7
261.01172	1.0
261.03931	20.1
262.04221	1.2
267.13748	3.1
271.05893	0.8
279.04886	9.2
281.15277	1.3
285.14905	4.2
286.04477	1.0
287.05386	6.6
288.05759	0.7
291.06314	0.7
295.05905	3.8
295.13260	1.1
297.06036	20.3
298.06393	0.8
301.14343	0.7
301.21518	1.0
302.21796	0.7
303.15717	0.8
305.07941	0.7
309.07440	1.1
309.14798	1.5
311.05515	0.7
311.12738	5.4
311.16351	1.7
313.14291	10.4
315.06894	1.4
319.06033	3.1
321.07581	0.9
323.05374	1.1
325.06223	0.8
327.15891	4.0
329.13907	8.4
329.17484	1.8
331.15353	2.1
333.07599	1.4
335.09396	4.1
337.07010	2.4
337.14264	2.5
355.15387	18.9
356.15576	1.1
361.07245	1.0
373.16397	2.5
379.15302	1.4
397.16470	1.2
421.16516	4.1
433.16122	0.7
435.17996	0.9
437.15796	2.7
439.17444	10.3
440.17761	0.9
445.16510	3.2
449.15912	1.1
451.17593	0.8
452.18259	0.7
453.18356	1.1
459.17874	1.6
461.15912	4.2
462.36462	0.6
463.17474	15.6
467.16626	1.6
477.19473	1.1
479.16953	1.2
481.18478	15.4
482.18256	0.8
487.17462	4.7
488.17654	1.0
493.18390	1.1
498.18649	1.0
499.18857	4.5
503.16879	0.8
505.18506	15.1
506.19025	1.5
511.18802	0.7
523.19617	3.3
524.19458	0.7
529.18243	2.1
533.17859	1.2
535.18524	0.9
538.21509	1.1
545.18024	1.3
547.19788	7.0
565.20544	4.8
571.19427	1.8
577.20410	2.7
583.21594	5.2
589.20703	4.1
607.21271	1.9
611.25067	0.8
615.27631	1.2
625.22302	2.0
633.29364	0.8
661.26001	1.5
661.36938	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	661.2494
Annotation	Leptolepisol C 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.42183	0.5
53.03921	0.9
55.01830	2.2
55.05510	3.4
56.05803	0.6
57.03437	5.2
61.02882	0.6
65.03906	1.3
67.01829	2.0
67.05490	3.6
68.99789	3.5
69.03385	1.7
69.07037	1.5
69.64173	1.8
79.05452	2.7
81.03416	4.4
81.07056	3.6
83.04958	1.3
83.08585	1.0
85.02909	14.1
85.06569	0.6
91.05457	2.5
93.03354	1.3
93.07011	2.0
93.93617	0.5
94.01038	0.6
95.04528	0.5
95.04962	5.2
95.08604	3.0
97.02884	3.9
97.10149	0.7
103.05439	1.1
105.04446	0.8
105.07005	1.8
107.04945	2.0
107.08553	2.6
109.02868	4.3
109.06465	0.7
109.10133	2.0
111.00768	1.9
111.04442	0.9
115.05427	0.8
117.07011	0.8
119.04928	0.7
119.08560	1.0
120.08081	1.6
120.59455	0.6
121.02862	10.2
121.06507	1.2
121.10139	1.2
123.04430	7.6
123.08025	0.7
125.02353	2.9
125.05984	0.8
125.09577	0.6
125.19552	0.6
127.03915	2.3
129.07011	1.3
131.04889	1.6
131.08571	0.7
131.49315	0.7
133.10150	0.7
135.00743	1.2
135.04416	4.3
135.11662	0.8
137.02361	1.1
137.05928	1.7
138.09128	1.1
139.03900	5.9
141.05479	0.9
145.06514	1.6
145.10097	0.7
147.04362	2.8
149.02338	4.5
151.03876	4.1
153.01825	100.0
153.06990	1.4
154.02156	3.0
155.04976	1.4
157.06487	1.1
157.10078	0.7
160.05135	0.6
161.02197	0.6
161.06000	4.8
162.03131	0.6
163.03903	16.1
165.01839	18.7
165.05507	1.4
165.06966	0.7
167.03429	2.2
167.07147	0.9
167.08578	0.6
169.05017	1.0
169.06400	1.1
171.02928	3.7
171.04201	0.7
173.05984	26.8
174.06343	0.9
175.03940	2.3
175.07568	1.4
177.01831	47.4
177.05498	2.4
178.02151	1.2
179.03389	4.7
179.06895	0.6
181.04967	2.5
181.06529	2.5
183.02899	8.6
183.04439	1.0
183.08047	0.7
185.05972	3.4
187.03946	2.5
187.07553	3.1
189.01825	2.5
189.05547	2.0
191.03389	20.8
193.01302	1.3
193.05005	2.4
195.02885	45.5
196.03310	1.0
197.06007	3.4
199.07515	5.1
201.05466	7.7
203.03401	4.3
205.04950	5.1
207.02899	2.4
207.08176	0.7
209.04457	0.8
211.07579	3.4
213.05431	2.8
213.09157	1.9
215.03433	3.3
215.07048	1.5
217.01366	0.6
217.04930	5.5
219.02884	44.3
220.03302	1.0
221.04568	1.7
223.07610	0.9
225.05597	1.4
225.09270	1.8
227.07088	2.2
229.04962	4.3
231.02885	8.1
233.04565	1.6
235.06052	1.3
237.04076	0.9
239.07254	0.8
243.02914	5.3
245.04463	2.0
247.06190	1.9
249.03947	8.6
249.12898	0.8
253.05038	1.4
261.03958	17.8
267.06879	0.7
267.13818	3.4
271.06018	1.4
279.04874	7.8
281.15417	1.0
285.14847	4.1
287.05432	6.1
288.05615	1.1
291.06787	0.7
295.05869	3.2
295.13248	0.9
297.06049	20.1
298.06558	1.0
303.13235	0.8
303.16339	1.0
309.07556	0.7
309.15002	1.0
311.12927	5.6
311.16595	2.4
313.14334	8.7
315.07117	1.5
315.16190	0.9
316.07214	0.7
319.06213	2.4
321.07822	1.1
327.15970	3.3
329.14032	7.9
329.17722	2.5
330.14447	0.7
331.15604	1.7
333.07556	1.4
335.09424	5.3
337.07294	2.5
337.14273	2.8
347.18561	1.0
355.15393	16.1
361.07410	1.9
361.59219	0.6
373.16846	2.7
397.16235	0.9
421.16818	2.7
437.16229	2.4
439.17468	8.5
439.22577	0.7
440.17892	0.8
445.16745	1.8
449.16669	0.9
451.17871	0.7
453.18750	0.7
459.18552	1.8
461.15677	3.1
463.17462	15.7
464.18588	0.7
467.17419	1.2
477.19800	1.1
481.18497	16.1
487.17529	3.1
488.18585	1.1
493.19131	1.7
499.18762	3.5
501.19922	0.9
503.17218	0.9
505.18542	14.1
506.19489	1.8
511.19742	1.1
523.19659	4.0
527.17395	0.9
529.19141	2.3
533.18317	1.2
538.22192	1.0
547.19568	7.1
565.20563	4.7
571.19843	1.8
577.21173	2.5
583.21637	6.0
584.22388	0.8
589.20679	3.6
607.22339	2.0
611.25177	0.7
615.29291	0.7
625.23523	2.6
661.37573	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	661.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.01855	0.4
55.05505	0.4
57.03423	0.4
62.81989	0.2
62.88314	0.2
67.01867	1.7
67.05521	1.3
68.99780	1.1
69.03417	0.9
69.07049	0.4
70.13735	0.2
79.05494	1.3
80.07877	0.2
81.03423	1.3
81.07047	1.2
83.04988	0.2
83.08598	0.4
85.02909	1.3
91.05499	1.5
93.07040	0.8
95.04951	0.6
95.08592	0.6
96.21609	0.2
97.02869	0.8
97.06502	0.4
105.07010	1.3
107.04954	0.5
107.08592	0.5
109.10143	0.4
111.00763	0.4
117.06966	0.3
119.08549	0.6
121.02856	0.6
121.10154	0.4
123.04409	1.1
125.02374	0.5
127.03908	1.1
129.07037	0.3
131.08551	0.5
131.73006	0.2
133.10107	0.6
135.04401	1.1
136.05170	0.3
137.06009	0.4
145.02826	0.4
145.06467	0.4
147.04420	0.8
147.11694	0.5
151.03975	0.3
153.01816	100.0
154.02161	1.5
157.10124	0.3
161.02306	0.4
161.05980	0.4
163.03896	3.0
165.01814	2.0
166.02663	1.3
171.02873	4.4
173.02249	0.3
173.05977	0.8
175.11230	0.7
176.11935	0.5
177.01842	3.4
179.03378	4.4
183.02887	0.8
187.03824	0.3
187.07556	0.9
191.03400	1.0
193.12204	0.6
195.02876	4.5
195.04515	0.4
199.03909	0.3
199.07603	0.3
201.05679	0.3
203.03322	0.5
207.02843	0.3
211.13252	0.6
213.05510	0.7
219.02905	2.8
231.02914	0.9
243.02832	0.4
247.05989	0.3
249.03844	0.5
249.12885	0.2
257.04456	0.5
258.05084	0.3
259.05670	0.3
261.03799	1.5
279.05093	0.9
287.05441	0.9
288.05698	0.5
289.07043	2.6
297.06015	1.4
299.05417	0.3
301.14362	0.3
311.16418	1.3
313.07062	0.3
325.07047	0.7
329.17368	0.6
337.14325	0.8
339.08682	1.0
345.13461	0.7
355.15216	0.5
429.15598	1.1
430.16458	0.5
431.17456	0.7
435.18018	0.7
442.16580	0.5
444.18295	1.4
454.16019	0.2
455.17331	0.3
456.17923	0.7
457.14346	2.8
458.15240	0.3
463.17474	6.9
464.18158	0.6
469.18896	0.4
471.16458	1.1
472.17386	2.9
473.17953	0.5
481.18542	10.3
482.19028	0.5
487.17520	0.5
497.18170	0.8
499.19443	3.7
500.17764	0.4
505.18790	0.3
511.19601	0.5
515.19318	0.5
531.22711	1.1
547.19727	0.7
559.21820	8.7
560.22186	0.8
577.20898	0.8
587.21399	0.9
601.23376	0.6
619.24017	11.8
620.23950	0.8
629.22632	0.9
643.25012	0.5
652.93530	0.3
660.50128	1.1
661.24945	12.7
661.38000	0.7
661.50537	0.8
662.25275	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68925	0.5
51.84010	0.5
53.03936	1.7
55.01864	2.2
55.05509	5.7
57.03434	4.2
57.07057	2.4
57.48240	0.6
59.04988	0.8
61.02922	6.9
65.02803	0.6
67.01858	1.7
67.05502	7.7
68.99769	0.9
69.03426	10.3
69.06706	1.0
69.07066	13.4
69.07436	0.7
70.52232	1.2
71.01336	0.6
71.04977	2.0
71.08620	0.7
73.02912	2.3
79.05490	7.2
81.03410	5.7
81.07057	29.5
83.01340	1.0
83.04939	0.6
83.08620	3.8
85.02904	63.0
86.09690	0.7
87.04471	1.7
91.03954	2.7
91.05463	4.7
92.05842	0.6
93.07043	10.2
95.04983	1.5
95.08606	19.9
95.09216	1.1
97.02252	1.2
97.02892	18.4
97.06509	1.2
97.10151	2.5
99.04445	2.6
105.07038	11.3
107.04950	0.6
107.08592	12.2
109.02881	6.1
109.06521	1.5
109.10156	23.8
111.08121	0.8
111.11714	2.6
117.07014	1.6
119.08583	16.2
121.10140	10.4
123.04451	1.1
123.08077	0.8
123.11708	6.9
125.02312	0.7
125.09618	1.9
125.13308	0.8
127.03915	18.7
129.06987	0.7
131.08588	3.6
131.92194	0.7
133.09180	1.1
133.10136	16.8
135.04398	1.5
135.11697	6.8
137.13243	1.6
145.04955	24.8
145.10130	7.9
147.04465	0.9
147.11682	36.4
148.12044	0.8
149.13242	11.0
151.11169	3.7
153.01822	100.0
153.09018	0.7
154.02156	27.4
155.02280	1.1
157.10109	0.9
159.11676	11.4
161.13248	10.8
161.14517	0.9
162.18446	0.6
163.03920	2.1
163.06017	10.2
163.14803	4.6
165.01845	1.3
165.12779	3.3
165.16414	1.8
171.02863	3.1
172.03133	1.1
173.13229	7.0
175.14833	11.5
177.01862	3.1
177.16373	2.3
178.02216	1.3
179.03397	4.6
179.10645	10.3
180.03770	1.0
180.11108	0.7
184.07356	2.2
185.13252	1.0
185.16318	0.7
187.14810	7.6
189.16461	2.9
191.10614	1.1
193.12239	43.4
194.12576	0.9
195.02893	3.6
196.03214	1.4
201.16374	28.9
202.16945	0.8
203.14398	0.9
205.12228	2.3
207.13776	6.0
211.16869	1.3
215.17905	3.0
219.02902	2.8
219.13802	2.1
220.03252	1.4
221.15327	10.1
229.15744	1.5
233.15446	2.1
235.16962	2.0
247.16928	45.7
248.17186	1.1
257.22632	54.0
258.04941	0.7
258.22910	1.2
261.03986	0.9
262.04376	0.7
267.20856	0.7
275.23645	5.8
285.22153	3.8
286.04785	0.7
287.05679	0.8
297.05954	0.7
303.23175	82.0
304.23486	2.8
312.16870	0.8
321.24243	14.5
325.11194	1.3
337.14224	0.7
355.15536	1.0
356.15842	1.6
366.51932	0.6
380.60046	0.7
401.25027	0.6
407.22006	1.5
435.21472	1.5
443.86267	0.7
463.17545	0.7
464.18118	1.2
481.18222	2.1
482.18811	8.1
498.18582	1.1
499.19315	1.2
500.19568	6.3
628.26489	0.7
662.36646	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29793	0.5
51.43341	0.5
53.03943	1.6
54.54586	0.5
55.01866	1.7
55.05503	2.7
57.03439	4.0
60.04543	0.5
61.02925	7.7
62.41296	0.5
62.41666	0.4
67.05503	4.2
69.03426	13.1
69.07069	2.9
69.85316	1.5
70.48675	0.5
71.04980	2.4
72.48051	0.5
73.02914	2.8
79.05486	3.7
81.03412	7.5
81.07059	10.9
83.04985	0.9
83.08608	1.6
84.04534	0.5
85.02902	88.0
86.03239	1.0
86.09703	2.0
87.04466	2.7
91.03951	4.1
91.05463	4.1
93.07043	8.1
95.04958	1.2
95.08604	14.2
97.02890	25.5
97.06504	0.6
97.10164	3.2
98.03208	0.5
98.23534	0.5
99.04459	3.7
99.08068	1.0
103.03929	0.7
105.07022	9.9
107.04967	1.0
107.08594	9.5
107.13898	0.5
109.02870	7.8
109.06522	0.8
109.10139	9.5
111.04457	0.8
111.11706	3.2
112.88100	0.5
115.03909	0.9
119.08576	7.0
121.06522	1.3
121.10151	6.1
123.11732	3.9
123.12486	0.8
124.99982	1.1
125.09643	0.8
126.05623	0.6
127.03912	23.3
131.08549	2.3
133.10112	6.2
135.04417	1.0
135.11688	7.8
137.09602	0.9
139.03845	0.7
139.11168	0.8
143.08505	0.6
144.06593	2.0
145.04953	41.0
145.10132	2.4
146.05275	0.7
147.11679	8.8
149.13257	9.4
151.11160	0.7
153.01833	3.6
154.02106	1.1
157.10162	1.2
159.11717	2.1
161.13257	10.0
163.03958	5.8
163.06009	21.2
163.11156	0.6
163.14807	1.2
165.05472	2.0
167.07051	1.2
171.11662	0.6
173.06017	0.7
173.13307	2.7
175.14818	10.4
177.05580	0.7
180.08716	1.1
181.04970	1.1
182.05333	0.6
184.07288	5.9
185.05789	0.6
186.11403	0.6
187.14856	2.8
193.12207	3.0
201.16386	8.5
207.13739	0.7
209.08118	1.0
215.18082	0.8
229.19495	2.9
233.08084	1.0
239.17953	0.7
257.22632	100.0
258.23022	3.9
263.09225	0.7
267.21057	3.4
270.18912	0.7
275.23544	0.6
283.15518	1.0
285.22104	8.3
287.05466	2.1
287.20117	0.9
288.05731	1.9
289.09396	2.7
303.23172	63.4
304.23419	1.8
321.24207	12.6
322.24759	0.7
324.12811	1.5
325.11343	9.6
354.10400	0.7
366.54718	0.6
418.16223	0.5
423.98181	0.6
447.27249	3.1
465.23917	1.0
644.35498	1.4
662.38196	4.8
663.25922	1.0
663.37311	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18488	8.0
55.05513	23.2
57.03441	16.9
61.65353	7.8
65.03960	8.5
67.05508	93.4
68.60565	8.2
69.07059	15.3
70.63009	17.2
79.05495	66.6
81.06718	7.5
81.07063	100.0
83.05003	10.6
83.08627	13.3
87.04468	10.7
90.30005	8.6
91.05479	47.9
93.07060	69.5
95.04958	13.6
95.08605	54.0
105.07023	29.9
107.08604	38.6
109.10142	19.7
115.47858	9.2
117.06970	22.1
119.08556	27.1
121.10136	33.7
131.08545	28.1
133.10123	27.9
135.11690	18.4
136.50856	8.6
145.10152	17.2
147.11690	12.4
149.13261	9.7
173.13245	12.2
213.97000	9.1
218.63565	10.4
238.94769	9.0
255.15842	11.3
269.17575	16.5
275.20148	20.1
335.25781	95.6
349.23526	9.5
515.37158	16.4
529.38904	55.1
569.41882	14.5
609.44952	17.7
662.30670	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	663.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.7
55.05476	0.6
56.96566	31.0
56.96827	2.1
67.05476	1.0
70.57093	1.2
71.95218	1.0
72.96008	1.0
73.06366	0.5
74.97575	0.8
79.05437	0.8
81.07021	1.0
83.87959	0.5
84.95999	0.5
91.05409	0.8
93.07013	0.7
93.29454	0.5
95.08573	0.7
97.96783	1.5
103.67522	0.5
105.00094	1.1
105.06979	1.2
107.04911	1.4
107.08503	0.6
109.02831	0.7
110.97569	1.5
115.00668	1.0
119.08496	0.6
121.10105	0.7
123.01228	1.0
127.00652	0.6
128.98538	2.2
133.01686	1.3
133.10089	0.8
137.02747	2.8
139.00624	1.6
141.02200	1.2
141.65456	0.5
143.00072	0.5
146.99609	1.1
147.03233	0.6
149.09549	0.6
151.04155	0.7
153.02151	2.1
155.03734	2.0
159.03233	1.0
165.05489	1.0
167.03761	2.3
167.07051	0.7
169.01695	1.7
169.05347	0.7
171.03299	4.5
173.04800	1.5
175.02731	0.6
179.03668	0.7
179.07370	0.6
181.05327	2.1
183.03197	0.8
183.06970	1.0
184.03917	0.7
185.03377	0.7
185.04893	6.7
187.06279	1.3
189.04362	2.9
193.05324	1.7
195.06863	2.2
197.04889	1.0
197.08371	0.6
199.06419	11.8
201.08023	0.7
203.05875	5.8
207.06952	1.0
209.08408	1.4
211.06409	4.0
211.09943	0.9
213.07988	11.7
215.09584	0.7
217.05443	1.0
217.07443	11.3
221.08519	1.5
223.06425	0.8
223.10158	1.1
225.04372	0.6
225.07961	7.3
225.11522	0.8
227.05962	0.6
227.09479	4.1
229.07547	3.6
231.06900	1.8
231.08975	8.2
236.09499	0.8
237.07947	6.2
239.09561	4.7
241.11034	2.9
243.09023	3.7
245.10551	3.3
247.08305	0.7
249.07976	3.7
251.09511	9.9
255.09053	32.3
256.09436	0.9
257.10632	2.0
259.12100	1.9
263.09476	0.8
267.09042	33.5
268.09503	1.1
269.10602	48.6
270.10880	1.3
273.10080	14.3
275.20160	0.8
278.10641	2.9
285.10089	36.0
286.10373	0.9
287.11652	14.1
290.10657	2.6
292.12186	4.8
295.15857	0.7
303.11261	2.5
308.11572	3.6
309.17358	1.4
310.13116	0.9
315.16284	2.4
323.18872	1.2
333.17316	17.4
333.69339	0.6
337.25970	0.6
346.19794	0.6
351.18417	60.4
352.18967	2.0
369.19482	100.0
370.19577	3.2
374.19870	4.2
387.20569	4.3
392.21042	16.4
393.21228	1.0
538.47736	0.6
549.30835	0.6
563.32538	5.7
573.59412	0.7
612.65802	0.6
645.40466	2.8
648.72778	0.6
663.41406	57.8
664.42316	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	664.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11236	0.6
55.05510	0.8
56.57754	0.5
63.98098	0.7
67.05501	1.0
70.67384	1.0
77.57747	0.6
79.05481	2.3
81.07062	3.4
89.03917	7.7
91.05490	1.2
93.07050	1.2
95.04951	1.0
95.08596	1.3
96.08572	0.7
96.09189	0.7
105.07022	1.7
107.04950	2.8
107.08591	1.8
109.06521	1.2
117.03389	7.1
119.08578	1.4
121.02850	1.4
127.35256	0.6
133.10138	1.0
135.04419	18.4
137.58342	0.6
145.02841	11.7
145.10078	1.3
147.11670	0.8
163.03900	100.0
164.04237	1.0
179.14355	0.7
181.04903	0.8
262.08405	0.7
275.20078	6.8
293.21152	3.5
337.09195	1.5
355.18549	0.8
383.26755	0.6
449.25381	1.8
450.67798	0.7
467.25934	0.8
493.38974	0.6
611.28613	3.5
629.29407	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	664.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
54.56047	1.0
55.01872	4.8
55.05507	16.2
57.03432	19.9
61.02923	5.6
65.03942	1.9
67.05502	41.6
69.03424	9.4
69.07065	8.6
69.26420	2.9
69.26824	2.1
70.06598	1.4
71.04990	9.4
73.02914	1.6
79.05485	27.1
81.03416	100.0
81.07053	32.8
82.03766	2.0
83.04980	17.7
83.08612	19.8
83.09092	1.4
85.02906	35.5
85.06545	3.2
89.03941	1.1
91.03965	2.2
91.05477	90.0
92.05794	1.5
93.07044	38.0
95.04969	27.5
95.08605	26.9
97.02888	12.2
97.06499	6.0
97.10172	3.3
99.04460	2.3
99.08101	1.2
103.05446	2.3
105.04482	2.3
105.07030	32.1
107.04960	8.6
107.08584	12.3
109.02872	1.8
109.06516	8.3
109.10150	19.7
111.04432	3.2
111.08071	9.8
113.06055	1.4
115.05482	2.9
117.03391	1.9
117.07037	6.5
119.08576	83.2
120.08912	2.6
121.06493	7.1
121.10133	14.1
123.08070	4.5
123.11695	3.3
125.05979	1.4
125.09611	2.6
127.03907	2.0
127.07594	1.1
128.06163	1.6
129.06996	14.0
131.04935	3.1
131.08572	11.4
133.06491	2.5
133.10132	12.0
135.04419	2.5
135.08051	2.7
135.11685	2.4
137.05962	3.7
137.09610	34.3
137.13254	1.6
142.07793	2.0
145.02863	3.3
145.04996	2.8
145.06491	1.6
145.10129	4.4
147.04391	1.1
147.08038	11.3
147.11687	15.8
149.05980	1.8
149.09631	5.5
153.01843	1.0
156.06186	1.1
157.10120	14.6
159.11682	2.6
161.05910	1.2
161.13266	2.7
163.03889	30.5
163.07593	1.6
165.09111	26.8
165.12784	2.4
167.07010	6.6
173.13234	3.2
175.11168	14.7
181.04881	1.3
183.10167	13.2
187.14847	1.7
193.12225	41.6
199.47404	1.0
201.16327	1.2
209.08080	2.4
211.13274	66.5
212.13618	2.8
217.19595	2.0
221.11584	1.5
239.10706	0.9
239.12770	21.3
257.13824	44.7
258.14218	1.2
265.52576	1.2
267.15906	29.6
268.16498	1.1
269.22626	2.6
285.16953	64.7
286.17261	2.7
335.09470	6.6
336.09750	3.3
337.10425	1.4
339.19589	4.2
353.19696	3.1
357.20627	5.4
405.22449	2.0
431.24243	25.0
449.25281	28.6
450.25897	1.3
467.26392	72.6
468.26776	5.2
664.28387	1.5
664.39545	27.1
665.24963	1.4
665.37158	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	665.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18551	0.1
62.98262	0.4
70.35551	0.3
71.01345	0.2
73.00295	0.2
73.89272	0.1
77.96954	0.7
81.11940	0.2
103.98517	0.3
116.99268	0.4
131.00819	0.2
157.06030	0.5
163.03908	0.2
173.05479	0.3
213.08655	0.2
221.11395	0.3
222.11897	0.2
227.10207	0.6
229.11760	0.5
235.12828	0.3
243.09683	3.6
255.83452	0.2
257.11252	7.9
260.52475	0.2
262.88467	0.2
269.15012	0.2
273.10681	1.9
275.11053	1.1
285.10794	0.3
333.20349	5.0
337.17487	0.8
355.18555	100.0
356.18936	2.3
373.18552	0.2
396.20975	0.2
442.81528	0.2
455.22629	0.3
469.24081	1.1
485.22964	0.3
490.03918	0.2
549.30499	0.3
553.29614	0.2
567.31384	1.1
665.38361	1.7
665.50232	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.7
57.03419	0.3
57.47534	0.3
63.43828	0.3
65.09564	0.3
67.05493	0.7
79.05477	0.4
81.07026	0.9
86.36578	0.3
91.05451	0.6
93.06995	0.6
95.04942	0.3
95.08616	0.8
98.98464	3.1
105.06994	0.5
107.08562	0.5
118.06554	2.4
124.99166	0.5
125.00003	8.2
144.08083	21.7
145.08409	0.4
146.06020	1.6
156.08093	0.6
162.09142	1.6
164.10712	0.4
172.07565	9.2
174.05479	1.2
174.09106	1.8
190.08672	0.8
198.05362	0.3
200.07091	7.4
202.08611	2.7
204.10194	0.6
206.08099	4.7
218.08115	0.5
222.11185	0.6
232.09677	53.6
233.09984	1.1
242.05733	1.2
250.10725	7.0
262.08218	0.5
270.05310	1.4
298.04749	1.8
330.07364	100.0
331.07718	2.8
555.18915	0.4
557.01440	0.4
603.59662	0.3
648.33264	1.2
666.34143	2.9
667.33374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3298
Annotation	strychnogucine B
Peak:m/z	Relative Intensity
55.05512	0.7
56.62275	0.6
67.05479	0.7
69.03430	1.0
69.07062	1.1
69.68462	1.4
79.05506	1.5
81.07063	2.0
81.56405	0.6
83.08607	0.5
85.02915	1.8
91.05489	1.0
91.77934	0.6
93.07018	0.7
94.07391	0.6
95.05011	0.6
95.08631	2.8
98.99242	0.6
105.07051	1.0
107.08604	1.6
109.10178	1.1
119.08611	1.4
121.10174	1.3
123.11720	0.7
133.10164	1.0
157.10115	0.8
159.11739	0.9
173.51471	0.6
175.11151	0.8
175.14912	0.6
203.05350	1.9
203.14458	0.6
210.23242	0.6
211.14864	0.6
259.07922	2.1
287.05420	0.6
329.08728	0.8
329.29501	0.5
347.09473	44.4
348.10059	0.8
408.66055	0.6
426.90915	0.6
550.45734	0.7
667.33014	100.0
668.33246	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	668.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
57.03438	0.2
60.92833	0.1
61.51417	0.1
63.02388	0.3
65.27634	0.1
67.05508	0.1
69.03432	0.9
69.07089	0.1
69.26495	0.5
71.04996	0.1
73.02914	0.1
79.05482	0.8
81.02960	0.2
81.03413	2.6
81.07034	0.2
85.02897	1.0
89.03909	3.4
91.05466	0.2
93.07042	0.2
93.16998	0.1
95.04961	0.3
95.08607	0.1
97.02885	0.7
97.06483	0.1
98.22747	0.2
99.04449	0.3
105.07018	0.2
107.04962	1.4
107.08606	0.2
109.02866	1.2
109.06497	0.1
109.10133	0.1
117.03375	4.9
119.08523	0.1
121.10085	0.1
123.11717	0.2
127.03893	0.6
135.04405	10.5
136.04735	0.2
137.05981	0.3
145.02843	8.9
146.03125	0.1
147.04417	0.1
163.03891	100.0
164.04222	1.7
165.05508	0.1
181.04945	5.4
185.10025	0.1
186.05426	0.2
214.12036	0.1
254.36588	0.1
265.07123	0.1
266.09369	0.1
307.08090	3.9
321.24020	0.1
325.09149	8.0
326.09399	0.2
541.98938	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	668.356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.3
57.03416	0.2
64.35351	0.2
67.05479	0.5
69.20393	0.2
69.75990	0.7
79.05482	0.5
81.07041	0.7
91.05458	0.6
93.07032	0.6
95.04983	0.3
95.08576	0.3
97.06516	0.2
98.98470	3.4
103.23596	0.2
105.07030	0.2
107.08515	0.2
113.36551	0.2
115.05437	0.8
116.17277	0.1
117.05773	0.2
117.07011	0.6
118.06512	0.6
119.08509	0.2
120.94986	0.2
121.10105	0.3
125.00004	9.9
133.33102	0.2
139.01480	0.2
143.07291	0.5
144.08084	3.1
146.05994	3.2
147.11713	0.2
162.09091	0.2
172.07570	10.7
178.08624	9.1
190.08669	0.4
191.09407	0.5
204.10194	49.5
205.10580	1.2
206.08101	0.8
206.11789	0.6
210.11264	4.7
222.11229	3.5
236.12802	42.7
237.13078	0.7
254.13858	7.0
270.05249	0.2
291.19550	0.3
302.07855	3.8
334.10474	100.0
335.10751	2.1
604.03754	0.2
650.34601	1.5
668.35486	3.6
669.36102	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.3
51.70566	1.1
53.03938	2.3
55.01875	7.2
55.05513	22.6
55.82758	1.2
57.03435	3.6
65.03944	2.6
66.03997	1.1
67.05503	31.3
68.61754	1.0
69.03435	4.5
69.07062	26.8
71.01360	1.6
71.03162	1.3
71.04991	9.4
71.44889	1.0
71.45328	1.2
73.02909	1.5
79.05490	32.3
80.43108	1.2
81.03425	4.0
81.07057	45.8
83.04983	7.7
83.08620	12.5
85.02892	1.1
85.06544	2.4
87.04486	1.4
91.05477	24.1
93.06448	2.0
93.07036	27.0
93.07601	1.9
95.04976	18.4
95.08610	14.0
96.05719	1.0
97.02873	2.9
97.06536	22.3
97.10170	17.3
99.08100	1.6
105.07030	19.0
105.83146	0.9
107.04944	9.4
107.08595	16.0
108.79854	1.0
109.06519	11.9
109.10172	11.2
111.04445	4.2
111.08088	3.6
115.05496	1.3
115.07564	7.2
117.07020	12.0
119.04927	1.9
119.08578	23.9
121.06492	9.2
121.10143	7.9
123.08057	6.6
124.93153	1.1
124.99986	1.3
125.09628	13.7
128.06241	1.3
129.07018	4.9
129.09125	4.3
131.08549	13.2
133.06540	3.1
133.10152	10.5
135.08089	8.6
135.11719	4.4
137.09628	6.1
139.11166	1.8
141.07018	1.6
142.07835	1.6
143.08560	6.0
145.06494	1.7
145.10135	11.9
147.08047	9.7
147.11713	3.3
149.09648	5.8
149.13266	1.9
151.07561	1.8
151.11134	1.5
153.09100	5.0
153.12743	2.0
155.08563	1.8
155.10596	1.2
157.08641	1.2
157.10132	4.6
159.08022	2.9
159.11710	8.6
161.09613	5.6
161.13234	1.2
163.11159	7.8
165.09142	5.0
167.71591	1.0
169.10083	1.7
171.10201	2.1
171.11693	3.9
173.09653	1.8
173.13257	2.6
175.11168	2.9
177.09058	1.2
177.12791	3.8
178.08704	1.1
178.13234	1.1
181.10101	1.9
181.12279	3.0
183.11737	1.2
185.13266	1.7
187.11244	1.0
189.11217	8.3
189.12729	1.9
191.10614	2.1
193.12302	1.6
199.14836	1.7
204.10191	3.0
209.15311	1.3
213.12592	1.3
217.16037	1.9
223.13330	4.4
227.12823	3.2
234.14906	1.9
236.12816	2.5
245.19032	3.5
249.14951	3.5
249.18475	1.5
254.13974	1.7
255.17451	2.8
257.18997	1.8
273.18466	25.0
274.18857	1.1
275.20126	9.5
289.17926	2.4
291.19525	100.0
292.19824	2.9
293.20984	2.3
309.20642	6.2
317.21442	1.3
332.12436	2.3
334.10468	4.3
467.31909	1.9
485.32413	4.3
545.39703	1.3
583.40186	1.7
615.42584	2.6
650.36908	1.3
669.40936	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	669.2922
Annotation	Swietephragmin D
Peak:m/z	Relative Intensity
53.82940	1.6
55.05511	2.2
67.05514	3.3
68.88284	1.5
79.05504	4.3
81.07057	5.1
83.08625	1.7
91.05486	3.4
93.07035	3.5
95.04964	2.2
95.08632	1.9
97.10181	2.0
98.98075	1.5
101.05630	1.4
105.07022	2.4
107.04984	2.1
107.08582	3.0
119.08587	3.9
121.06509	2.7
145.10179	2.0
146.06010	2.0
174.05534	2.2
192.06602	2.9
196.09924	1.9
197.10800	1.9
202.04982	13.3
233.10825	2.3
234.07596	14.5
267.80945	1.5
271.05951	3.5
273.18390	3.0
286.13394	3.7
291.19495	12.6
292.19916	3.0
300.15054	2.6
302.16522	5.5
316.18112	2.3
328.14352	2.7
330.16235	2.2
374.18790	1.7
385.14325	2.2
389.17548	2.0
402.18011	8.9
403.19418	4.0
404.90344	1.6
415.19363	4.0
416.19839	3.3
417.20737	5.5
418.21085	3.1
430.21350	5.6
431.22342	2.6
457.20370	1.6
459.21744	2.7
463.21649	1.9
477.18954	2.0
486.20294	2.0
489.18762	7.7
491.20428	8.4
499.21115	2.3
501.22485	5.5
503.20569	3.0
507.20364	7.7
517.22101	2.4
521.21680	7.3
535.23230	2.4
549.21045	3.8
559.23260	11.1
561.25543	7.6
563.23071	9.2
564.23883	7.6
577.24078	3.7
591.25977	1.9
593.27289	3.5
605.23486	5.1
619.25592	41.2
620.25720	5.3
622.24030	3.8
637.26508	64.6
638.26251	4.6
651.28113	100.0
652.27808	4.0
669.29169	3.8
669.40051	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	670.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01878	1.6
55.05479	0.8
57.03424	4.2
57.07065	1.2
57.73272	0.8
58.19234	0.8
59.04998	5.1
61.02921	1.7
67.05506	4.0
69.03437	5.8
69.28826	4.4
69.29096	1.1
71.01331	4.1
71.05000	1.9
73.02913	1.0
77.03931	2.9
78.23563	0.9
79.05492	18.1
80.27882	0.8
81.03414	6.5
81.07053	3.0
83.04975	3.0
85.02904	11.6
85.06543	78.8
87.04478	1.8
91.05482	5.6
93.07047	8.3
95.01368	0.9
95.04969	22.0
97.02895	8.1
97.06511	0.9
98.22772	1.9
99.04499	1.1
103.03944	4.4
103.05476	7.5
103.07580	12.0
105.03394	1.4
105.04491	2.2
105.07037	1.6
107.04954	100.0
108.05304	1.0
108.08130	3.2
109.02879	64.0
109.06528	7.5
109.08452	1.5
111.04444	3.2
111.08105	1.2
117.07086	0.8
121.06516	17.2
121.08614	11.9
123.04440	8.6
124.03929	1.7
125.02372	5.2
125.05978	2.6
127.03920	5.8
131.04945	6.8
131.05840	1.0
131.06143	0.8
131.07031	6.2
133.02872	3.0
133.06493	1.2
133.32587	1.0
135.04414	43.6
137.05995	3.3
139.03908	33.1
141.05473	3.6
145.04968	2.9
146.87886	0.8
147.60231	0.8
149.05978	25.8
151.03912	27.2
152.07065	2.2
153.05516	6.2
159.04440	6.1
163.03914	4.0
163.07605	1.0
165.05475	73.9
166.05792	2.1
167.03339	1.7
167.07034	22.9
177.05472	64.9
178.05756	0.8
179.07120	0.8
180.83768	0.8
181.08578	1.3
191.07010	10.4
193.08551	1.0
195.06520	25.8
202.37154	0.8
209.08086	83.1
210.08444	1.7
211.09656	1.0
227.09145	21.7
246.17743	0.9
279.12244	11.7
297.13318	37.4
311.14835	6.1
328.13681	1.2
329.15936	13.3
339.10629	4.0
365.29303	1.0
371.13492	1.6
409.84595	0.9
441.17957	1.6
459.18393	5.5
473.20078	1.8
507.19519	1.4
508.19946	1.6
670.24683	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.3
67.05485	0.9
69.07067	0.4
79.05500	0.6
81.07043	0.9
91.05479	0.4
93.07016	0.4
95.08588	0.5
95.61326	0.3
97.06502	0.4
97.10120	0.3
97.58369	0.3
98.98463	2.7
107.08575	0.4
118.06529	3.2
118.39284	0.3
119.08593	0.3
125.00008	9.3
127.22053	0.3
139.01613	0.3
139.68542	0.3
144.08089	17.9
145.08794	0.9
145.09924	0.3
146.06009	2.2
160.19070	0.3
162.09079	0.9
170.90485	0.3
172.07568	8.0
174.05545	0.5
178.08643	7.5
204.10201	55.0
205.10564	1.1
206.08096	0.3
210.11275	3.4
210.13144	0.4
222.11246	4.0
236.12811	38.8
237.13132	0.7
254.13881	5.0
270.05057	0.4
293.21100	0.3
302.07910	5.7
316.09500	0.5
334.10489	100.0
335.10757	1.5
392.01761	0.3
414.89038	0.3
652.35718	1.2
670.26880	0.3
670.37268	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	670.3715
Annotation	Leustroducsin B
Peak:m/z	Relative Intensity
55.05494	0.5
59.92252	0.1
67.05476	0.7
69.07040	0.4
69.17420	0.7
79.05463	0.4
81.07063	0.9
83.04961	0.1
83.08586	0.2
88.07680	0.1
91.05459	0.8
91.11777	0.1
93.07044	0.4
95.08580	0.5
97.10161	0.3
98.98465	3.5
99.50408	0.1
103.05412	0.1
105.07000	0.3
109.10110	0.4
111.08036	0.2
115.05454	0.6
117.05751	0.2
117.06986	0.4
118.06502	0.6
119.08557	0.2
121.10117	0.2
124.99995	9.2
133.10077	0.2
139.01488	0.3
143.07266	0.6
144.08084	3.0
146.05995	2.4
148.53181	0.1
149.02345	0.3
159.68373	0.2
162.09116	0.2
172.07565	10.0
174.09056	0.2
178.08617	9.9
190.08623	0.6
191.09378	0.4
193.04973	0.3
193.25938	0.2
204.10187	43.9
205.10556	0.9
206.08102	0.5
206.11688	0.5
207.08784	0.2
210.11227	4.8
222.11226	3.2
236.12796	40.6
237.13176	0.9
254.13846	7.4
291.19531	0.4
302.07889	4.2
312.32339	0.2
334.10464	100.0
335.10757	1.7
385.09222	0.3
408.14096	0.3
652.36182	1.4
670.37366	4.9
671.36169	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	670.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01888	2.5
55.05514	37.7
55.14136	1.5
57.03441	8.4
57.05791	1.5
57.07082	26.7
60.84711	1.6
61.02931	15.8
67.05505	13.9
67.26239	1.4
68.58983	1.5
69.03428	14.5
69.07073	66.7
69.60649	3.3
69.61055	4.8
71.04990	2.4
71.08636	20.5
73.02922	3.5
75.04486	2.4
79.05502	6.4
81.03427	7.0
81.07061	17.3
83.04977	3.0
83.08625	59.4
85.02909	71.9
85.10197	9.1
90.55247	1.7
91.03968	11.7
91.05476	3.5
93.07049	12.2
95.04968	3.2
95.08609	13.2
95.17599	1.7
97.02898	33.3
97.06542	4.7
97.10175	61.4
98.96417	1.6
99.04445	8.5
105.07056	3.5
107.08612	9.1
109.02898	6.8
109.10163	6.5
111.04470	2.4
111.08100	4.3
111.11736	25.2
117.07014	1.9
119.08593	4.0
121.10152	16.8
123.11723	6.0
125.00077	2.2
125.09620	1.7
125.13279	6.5
127.03941	18.3
129.68358	1.8
135.11732	11.4
137.13358	1.9
139.11166	2.1
139.14870	2.6
144.08133	2.9
145.04950	27.5
145.08427	1.9
149.13289	5.2
153.16399	1.6
163.06049	4.8
163.14844	1.7
204.10193	9.8
205.10587	4.7
206.10934	3.7
209.22757	1.6
217.19481	3.9
219.21085	11.6
223.29898	1.6
235.20631	5.9
236.12914	6.7
237.13199	3.3
237.22154	34.6
238.13458	2.2
255.23201	12.1
305.24753	5.9
309.79041	1.7
311.25827	36.1
312.26251	1.9
317.24750	2.6
321.24271	3.4
329.26846	15.3
333.24210	8.6
334.10425	13.2
335.10913	12.8
336.10986	8.1
345.24335	4.5
363.25388	11.4
381.26340	18.3
399.27411	100.0
400.27731	4.3
472.95251	1.7
473.30704	3.6
528.01233	1.6
652.35754	2.5
670.29297	7.2
670.38800	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	671.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	1.5
91.05457	1.5
95.08603	1.1
105.07030	1.4
119.04974	1.2
121.02779	0.9
122.70087	1.0
145.02899	1.1
153.01833	3.4
161.09312	0.9
194.51396	1.0
243.11299	2.2
263.11832	1.6
271.06000	100.0
272.06311	2.5
289.13379	1.2
320.14188	1.2
333.14578	1.6
436.18912	2.2
437.19510	5.5
438.20142	1.0
449.19763	1.6
450.20566	1.3
451.21237	2.7
461.19754	1.0
464.22067	1.7
468.18347	1.6
475.21545	5.3
476.17841	1.1
491.20547	2.8
492.21356	1.7
507.20749	2.7
509.21973	2.5
521.21942	1.3
522.22418	7.2
523.23352	6.1
524.23749	5.0
525.24664	3.1
540.27264	1.4
551.22894	9.8
552.23102	1.7
567.25476	1.4
579.22198	1.2
609.27570	1.5
611.25061	22.0
612.24860	2.8
627.27838	8.2
639.24475	26.1
640.23932	2.0
671.30402	3.9
671.40997	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	671.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
55.01872	1.3
55.05510	5.0
57.03433	2.7
57.07085	2.8
59.13300	0.3
61.02925	1.5
67.05510	6.9
69.03426	6.4
69.07064	3.8
71.01354	0.5
71.05003	0.4
71.08626	0.7
73.02916	4.8
79.05481	1.5
81.03414	1.6
81.07055	17.0
83.08619	6.0
85.02903	16.0
87.04473	0.5
89.03908	3.4
91.05470	0.9
93.07034	1.5
95.05000	0.8
95.08604	21.7
96.08932	0.5
97.02898	9.4
97.06488	0.5
97.10168	8.3
99.04453	0.8
99.08067	0.9
101.09630	0.4
103.03907	0.5
105.07040	0.9
107.04968	1.4
107.08606	1.0
109.02872	1.5
109.06500	0.5
109.10156	29.0
110.10428	0.5
115.03921	3.3
115.11185	1.4
117.03362	3.9
119.08607	0.4
121.10130	1.3
123.04433	0.8
123.11707	32.6
124.11977	0.5
127.03899	3.6
127.11161	0.5
130.46255	0.3
133.04965	3.7
133.10129	0.5
135.03459	0.7
135.04414	8.6
135.11650	0.6
137.05943	0.8
137.09666	0.3
137.13257	11.5
138.13551	0.4
139.03894	0.5
139.14804	0.9
145.02859	9.7
145.04945	5.7
147.04390	0.6
149.13232	0.4
151.03955	0.4
153.01854	0.6
157.65184	0.3
161.02368	0.4
163.03902	100.0
163.06084	2.9
164.04236	1.5
165.09102	0.7
177.16389	0.8
179.17946	23.0
180.18250	0.4
181.04953	70.0
182.05298	1.4
197.18999	16.5
198.19327	0.5
223.06097	0.4
241.07144	0.6
259.08160	0.7
293.28314	0.6
295.08121	2.7
303.73630	0.4
325.09140	0.9
355.15311	2.1
359.21988	0.4
493.31198	0.6
580.92682	0.4
599.38757	0.4
671.36591	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	671.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25399	0.1
57.07070	0.2
67.01864	0.2
67.05490	0.1
68.99467	0.1
68.99809	0.3
69.03419	0.1
69.97468	0.2
76.79519	0.1
81.03424	0.2
81.07058	0.2
85.10171	0.1
86.20448	0.1
91.05460	0.3
95.08593	0.3
97.02881	0.2
98.22771	0.1
109.10145	0.2
119.04947	1.1
121.02859	0.5
127.03930	0.1
129.01788	0.1
145.02846	0.7
153.01813	3.7
163.03893	0.3
171.02876	0.4
187.03816	0.1
203.07018	0.2
203.66679	0.1
225.05469	0.5
229.04997	0.2
239.23703	0.2
243.06595	0.2
247.05995	0.1
271.05984	100.0
272.06339	2.7
383.27734	0.2
440.22464	0.1
607.04193	0.1
659.37311	0.1
661.91675	0.1
671.32813	0.8
671.42712	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.9
55.01881	1.4
55.05510	17.1
57.03432	1.7
57.07074	13.2
59.05011	1.1
61.02912	2.0
65.03938	1.7
65.09105	1.0
67.05499	24.5
69.03433	3.9
69.07066	52.5
69.39401	1.4
69.39789	3.3
71.04983	2.9
71.08627	6.6
79.05489	11.2
80.23580	0.9
81.03407	6.6
81.07055	100.0
82.07346	1.4
83.04970	2.7
83.08620	31.7
85.02901	19.3
85.06561	7.2
85.10175	2.4
91.05463	5.6
93.07043	23.0
93.07603	1.9
95.04987	5.9
95.08602	83.1
96.08923	1.6
97.02888	4.7
97.06537	2.9
97.10172	20.9
98.22681	2.0
99.08077	8.1
103.05460	1.7
105.07039	5.8
107.04956	3.1
107.08591	28.7
109.02880	9.1
109.06508	1.7
109.10152	59.6
110.10428	1.2
111.04446	3.2
111.08059	7.0
111.11717	18.7
113.09628	2.7
117.07030	1.7
119.04949	1.7
119.08586	3.3
121.02873	1.1
121.10136	16.2
123.04457	1.5
123.08076	1.2
123.11703	36.2
125.09621	2.4
125.13261	13.7
127.03916	4.1
127.11176	9.7
129.06947	1.2
131.04935	1.7
133.02852	1.1
133.10139	3.2
135.08090	1.6
135.11694	10.1
137.05995	4.9
137.09622	5.8
137.13251	30.7
139.14813	3.3
141.12738	3.0
143.10718	1.2
145.04933	4.2
145.06502	1.8
145.10156	1.9
147.04338	1.7
147.07994	0.9
147.11696	3.3
149.05960	1.4
149.13246	32.5
150.13542	1.5
151.03891	1.7
151.14815	13.1
153.01796	1.3
153.12752	4.1
153.16458	1.1
155.14302	11.8
157.08638	2.0
161.06029	1.1
161.13268	1.4
163.03908	3.8
163.05975	2.5
163.07382	1.4
163.14807	10.5
165.05473	1.2
165.06947	1.2
165.09119	30.2
165.16396	8.1
166.09442	1.1
167.07024	4.6
167.14322	11.9
169.15904	4.2
173.06049	1.4
175.07555	1.1
177.05515	1.2
177.16397	4.7
179.17899	6.1
181.04961	4.8
181.15904	1.3
191.06993	3.5
191.17949	4.6
193.19579	5.5
205.12355	1.3
205.19463	6.1
211.20677	1.0
211.72562	1.0
219.06461	1.4
219.21031	5.1
223.20700	1.6
233.22461	1.0
237.22035	2.0
249.25870	2.7
263.27328	3.1
275.27335	21.4
281.28424	14.3
293.28384	54.4
294.28784	2.1
311.29407	20.5
321.24152	1.7
324.26212	1.6
329.30505	20.5
337.14328	2.3
339.25565	1.1
355.15457	5.5
363.10626	2.6
368.74353	1.0
455.31619	1.4
473.32758	1.9
550.07257	1.1
593.47235	1.2
671.25830	3.7
671.37695	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	671.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09472	0.9
53.03939	2.0
55.01852	1.2
55.05254	1.6
55.05508	21.0
57.03426	1.3
57.07075	15.5
59.05004	1.2
61.02929	2.4
64.88663	0.9
65.03942	1.1
67.05502	26.3
67.05864	1.3
69.03426	4.8
69.07066	63.6
69.17451	2.0
69.17856	2.8
71.04980	2.1
71.08636	6.8
73.02908	1.1
79.05483	10.9
81.03433	1.8
81.07054	100.0
81.12753	0.8
81.13235	0.9
82.07368	1.0
83.08618	38.8
85.02902	33.4
85.03416	1.8
85.06547	9.6
85.10184	2.9
87.04494	0.9
91.05466	3.4
92.44165	0.9
93.07039	21.8
94.40224	0.8
95.04971	2.0
95.08602	94.2
96.08921	1.3
97.02895	6.5
97.06532	2.9
97.10168	23.3
98.23508	1.5
99.04458	1.4
99.08089	7.5
105.04469	0.9
105.07027	3.2
107.08593	26.2
107.09324	1.6
109.02876	2.6
109.06503	1.0
109.10149	61.0
110.10450	0.9
111.08092	6.1
111.11716	24.8
113.09647	3.4
115.11194	0.8
119.08567	1.3
121.10140	16.9
123.11700	44.4
125.09606	2.0
125.13261	19.7
127.03902	8.2
127.11166	1.4
131.08537	1.1
133.10101	1.1
135.08107	1.0
135.11679	11.0
137.05975	2.1
137.09628	1.5
137.13255	38.0
138.13620	1.2
139.11176	1.5
139.14824	6.0
141.12766	1.6
143.14391	1.7
145.04930	9.9
145.10143	0.9
149.13251	40.4
151.14815	13.9
153.12758	3.9
153.16399	1.0
155.14299	11.3
157.10130	1.2
157.15860	1.8
163.03934	4.9
163.06020	7.1
163.14809	10.4
164.04167	0.9
165.09174	3.3
165.16385	14.4
167.07095	1.2
167.14317	23.2
169.15895	7.8
177.16365	4.4
179.17929	8.0
183.17470	2.6
183.32170	0.8
191.18004	2.9
193.19524	5.1
197.13315	0.9
197.19066	1.2
205.15935	0.9
205.19540	4.4
207.21133	1.8
211.20482	1.1
219.21063	4.5
237.22203	2.4
247.24306	1.4
249.25758	6.0
275.27307	25.3
276.27582	1.2
281.28473	3.0
293.28363	70.0
294.28717	2.6
311.29416	22.9
312.29736	1.2
325.11261	3.0
329.30411	1.0
340.31982	0.9
355.15289	1.8
359.29266	1.0
383.29337	0.9
401.30475	1.8
419.31601	2.6
437.32645	2.2
441.09073	1.0
455.33359	2.4
473.34732	1.9
671.39191	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
55.01859	0.9
55.05257	1.3
55.05511	15.6
57.03439	1.6
57.07078	14.5
59.05003	0.9
59.39257	0.6
61.02921	2.4
65.03948	1.4
67.05503	20.8
69.03430	5.7
69.07069	52.4
69.15676	1.3
69.16089	2.3
71.04992	2.5
71.08630	6.7
73.02922	1.8
79.05487	8.6
81.03421	2.7
81.07056	100.0
82.07387	1.5
83.08619	31.1
84.59961	0.7
85.02905	24.9
85.06546	6.3
85.10188	1.6
91.03954	1.1
91.05486	2.8
93.07047	21.5
95.04978	1.9
95.08607	84.4
96.08955	1.3
97.02895	6.0
97.06535	1.7
97.10171	18.5
99.04420	0.9
99.08086	6.5
105.07057	3.1
107.04965	0.7
107.08596	24.8
108.08930	0.8
109.02899	2.5
109.10156	54.0
110.10510	0.9
111.04438	1.1
111.08083	5.6
111.11720	20.2
113.09657	2.4
119.08597	2.1
121.10150	15.2
123.11708	38.0
125.09603	1.3
125.13269	18.3
127.03908	6.0
127.11212	1.6
129.07072	0.8
133.10147	2.1
135.04424	1.1
135.11690	10.4
137.05989	1.4
137.13251	33.7
139.11192	1.0
139.14793	3.8
141.12755	1.9
143.14333	1.2
145.04970	8.2
145.10109	0.6
147.04510	0.7
147.11678	1.4
149.13254	42.7
151.14819	13.8
153.12756	3.5
153.16357	1.4
155.14299	13.4
157.15912	2.6
159.11749	0.8
161.13297	1.1
163.03925	8.0
163.06038	4.8
163.07407	1.0
163.14824	10.0
165.09154	1.7
165.16399	9.1
167.06985	0.9
167.14313	36.2
168.14656	1.1
169.15866	5.2
177.16425	3.0
179.17921	6.6
181.04991	2.5
183.17471	1.9
191.17950	3.0
193.19478	5.5
197.19025	1.3
205.19536	3.2
207.21100	1.7
211.20581	1.7
219.21062	4.3
237.22131	1.8
247.24332	0.9
249.25723	3.7
263.27356	0.9
275.27316	19.6
276.27505	0.8
281.28421	1.9
293.28369	50.6
294.28809	1.6
305.28430	0.9
310.99368	0.6
311.29440	12.6
325.11240	1.8
329.30563	2.8
365.41089	0.7
383.29501	1.5
401.30795	1.4
419.31519	1.2
437.32486	1.0
455.33423	1.3
671.38776	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	672.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
55.01881	0.8
55.05515	9.6
55.19878	0.4
57.03442	3.0
57.07070	3.1
59.05001	1.4
61.02932	1.1
64.08885	0.5
65.03938	1.0
67.05504	18.3
69.03428	7.2
69.07071	4.7
69.42316	2.3
71.04995	9.0
71.05354	0.9
71.08631	0.6
73.02926	3.8
74.07682	0.4
74.74701	0.5
77.03907	0.7
79.05489	5.7
81.03439	1.0
81.07056	100.0
82.07404	2.0
82.99798	0.5
83.05007	0.6
83.08624	2.4
85.02907	6.7
85.06541	6.4
87.04453	1.3
89.06037	2.7
91.05493	2.1
93.07042	10.3
95.04969	6.8
95.08608	20.1
95.09220	1.2
96.08935	0.5
97.02889	6.6
97.06525	0.7
97.10168	11.6
98.22747	1.1
99.04457	2.3
99.08098	1.9
105.07044	2.5
107.08598	4.4
109.02919	0.8
109.06508	4.0
109.10157	2.5
111.04421	0.7
111.08061	3.7
113.06026	1.2
115.03900	3.1
121.10158	1.8
123.08095	1.9
123.11703	96.3
124.12053	1.9
124.30624	0.5
127.03920	1.8
127.07544	0.7
133.04948	1.5
133.10136	5.8
137.06006	0.6
141.12720	3.8
145.04961	1.2
151.11176	19.4
157.05080	0.6
163.03876	1.1
169.12236	77.4
170.12541	1.8
181.43474	0.5
187.13289	32.5
193.06963	1.0
301.16464	2.2
331.17401	1.7
343.17526	8.4
361.18546	68.1
362.18948	2.7
475.21561	0.8
505.22787	0.7
672.23242	0.8
672.85071	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	1.9
54.05338	1.2
55.05510	10.7
57.03434	3.1
57.07076	4.6
58.63432	1.2
59.04995	1.9
65.03925	1.3
67.05503	19.4
69.03437	6.4
69.07069	5.8
70.76804	1.8
71.05000	7.8
71.90913	1.3
79.05501	5.5
81.07056	100.0
82.07356	1.1
83.08617	2.5
84.39477	1.1
85.02914	5.8
85.06538	7.7
87.04465	1.4
89.06033	6.3
91.05492	3.0
93.07047	11.8
95.04973	10.7
95.08595	16.0
97.02910	4.7
97.10156	12.8
99.04499	1.6
99.08103	2.1
103.05457	1.7
105.07024	4.8
107.08621	6.1
109.06498	4.1
109.10162	4.2
111.04478	1.7
111.08092	3.6
115.03913	3.0
121.06529	1.6
121.10098	1.6
123.08103	1.5
123.11707	86.3
124.12026	2.5
126.88930	1.3
127.07586	1.5
131.04933	2.8
132.69048	1.2
133.04987	3.2
133.10129	5.7
133.79898	1.2
137.06018	7.8
141.12733	3.6
145.04903	1.5
149.05928	1.4
151.11182	19.1
151.24620	1.2
163.03940	4.2
163.07538	2.1
166.05042	1.7
169.12238	77.2
176.03418	1.7
181.04953	7.4
187.07547	2.5
187.13286	38.0
194.04489	3.4
211.16951	1.3
214.56799	1.2
274.77509	1.6
331.17520	2.8
341.13770	1.5
343.17429	6.5
349.17563	2.3
361.18552	77.0
362.19116	1.9
377.16986	2.3
389.73471	1.4
478.20276	1.7
510.20706	3.8
513.26123	1.7
623.70404	1.4
633.66974	1.4
672.23938	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	672.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43313	0.9
51.46729	0.7
53.03958	1.0
55.05508	11.1
57.03435	3.9
57.07074	5.9
59.05003	2.6
67.05500	18.9
69.03423	9.0
69.07071	5.9
69.95619	0.7
70.74150	1.8
71.04993	8.5
79.05489	5.9
81.07055	100.0
82.07361	1.1
83.08622	3.8
85.02894	5.9
85.06541	6.4
87.04484	3.8
89.06042	3.6
91.05459	2.1
93.07047	10.6
95.04973	8.6
95.08605	22.2
97.02892	6.9
97.05625	0.9
97.10168	12.1
99.04427	1.4
99.08098	2.8
100.17850	0.9
102.95522	0.8
105.07063	2.2
107.04986	1.6
107.08584	6.1
109.02901	1.1
109.06527	4.0
109.10150	3.1
111.08092	3.6
113.05996	2.1
115.03922	4.1
121.06534	1.2
121.10168	1.4
123.08114	1.3
123.11704	98.1
124.12055	2.0
133.04956	3.8
133.10126	6.1
139.03952	1.3
141.12749	4.4
151.11183	19.9
163.03893	1.6
165.05470	1.6
169.12236	93.3
170.12572	2.3
177.05432	1.4
187.13289	38.2
193.07137	1.7
209.08359	1.4
299.11075	1.1
311.19604	0.8
331.13922	1.0
331.17508	2.1
343.17462	10.4
361.18539	83.0
362.18884	2.5
505.23007	1.6
580.03046	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.05509	4.8
56.32892	0.3
57.03179	0.5
57.03437	4.7
57.07076	38.6
61.02928	14.1
67.05161	0.6
67.05504	10.1
69.03428	2.2
69.07066	7.7
71.04982	0.4
71.08630	31.6
73.02919	4.8
75.04468	2.2
79.05487	1.0
81.03419	0.7
81.07059	14.4
82.07394	0.4
83.08617	11.8
85.02905	15.9
85.06544	0.7
85.10183	17.9
89.06015	1.1
91.03954	12.3
91.05449	0.4
93.07044	1.3
95.08605	23.6
96.92205	0.9
97.02894	7.7
97.10169	6.9
99.04453	0.8
99.08074	0.5
99.11745	1.1
101.05973	0.4
103.03960	0.6
103.07578	0.7
107.08592	0.4
109.02869	0.9
109.10155	11.4
111.11724	1.4
113.13293	0.5
114.65134	0.3
115.03922	0.7
121.10119	0.4
123.11707	5.1
124.03717	0.3
125.13267	1.0
127.03922	4.1
137.13258	1.8
139.14809	0.6
145.04976	6.0
151.14784	0.8
163.06012	10.5
165.16454	0.6
221.22639	1.2
224.93398	0.3
239.23689	19.6
240.24065	0.5
257.24725	4.2
298.27228	0.4
313.27356	100.0
314.27756	4.7
331.28421	36.6
332.28748	1.4
475.32739	2.4
672.41479	1.6
673.37451	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64176	0.4
55.05505	4.8
57.03441	5.2
57.07076	40.1
61.02928	14.7
67.05165	0.7
67.05506	10.7
69.03423	2.4
69.07067	7.8
69.21526	1.8
71.04979	0.8
71.08631	31.8
73.02919	4.9
75.04483	2.4
81.03397	0.7
81.07058	15.8
83.08617	13.4
85.02903	13.7
85.06544	0.9
85.10181	18.2
87.04438	0.5
89.06021	1.2
91.03380	0.6
91.03954	11.8
91.93806	0.4
95.08604	24.4
96.92224	0.9
97.02895	7.7
97.10168	6.1
99.04438	0.8
99.11727	1.3
103.03986	0.5
103.07578	1.0
109.02844	0.6
109.10159	11.8
111.11717	1.3
113.13246	0.6
115.03939	0.9
123.11703	5.2
125.13255	0.6
127.03927	5.4
135.95412	0.4
137.13261	2.1
145.04961	6.0
151.14842	0.8
163.06007	10.7
189.62448	0.5
193.12022	0.4
193.31599	0.4
197.26535	0.4
221.07542	0.4
221.22594	0.6
239.23688	20.2
257.24738	3.9
265.61624	0.5
313.27356	100.0
314.27606	2.5
331.28415	34.1
332.28842	1.2
401.29016	0.8
422.07224	0.4
424.24677	0.5
447.32693	0.5
475.32779	2.7
672.40997	0.5
673.41010	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.8
57.03435	4.6
57.07074	35.5
60.95124	0.5
61.02924	14.6
67.05499	9.6
69.03420	1.8
69.07065	7.5
70.23492	0.4
71.08628	27.6
73.02918	5.2
75.04469	2.3
76.10987	0.5
78.18253	0.5
81.03400	0.9
81.07053	14.8
81.92116	0.6
83.08617	11.2
85.02405	1.0
85.02902	17.0
85.06506	0.5
85.09698	0.8
85.10181	17.0
89.06026	0.7
89.44392	0.5
89.44937	0.4
91.03950	14.0
95.08601	22.6
97.02890	9.7
97.10174	4.8
99.04430	0.9
99.11729	1.6
101.02326	0.6
103.07560	1.0
109.10157	10.7
111.11698	1.8
115.03937	0.9
123.11702	4.1
125.13257	1.0
127.03919	5.4
137.13258	1.7
144.89838	0.6
145.04965	8.5
151.14786	0.9
163.06003	13.3
221.22603	1.4
229.27696	0.5
239.23671	22.2
257.24716	4.0
282.93005	0.6
313.27344	100.0
314.27786	3.4
331.28403	43.5
332.28714	1.8
339.18988	0.5
342.10095	0.5
355.16406	1.5
356.16852	1.4
360.18002	0.5
407.90335	0.5
672.42926	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.0
53.03943	1.7
55.01867	1.9
55.05508	10.3
56.05833	1.5
57.03429	1.8
57.07077	6.1
58.07418	0.9
59.04984	0.7
61.02913	3.3
63.02368	0.9
65.03950	1.0
67.05505	14.0
68.05834	3.0
68.99797	2.1
69.03423	10.0
69.06708	1.5
69.07065	25.0
70.07401	4.7
70.07716	0.7
71.01361	1.8
71.04984	2.2
71.08625	3.6
74.67368	0.8
77.03894	0.9
79.05489	9.2
80.05830	1.0
81.03418	5.6
81.07053	42.3
82.07391	10.2
83.01341	1.0
83.04970	3.3
83.07719	0.8
83.08619	15.2
83.43759	0.7
84.08127	0.9
84.08954	4.7
85.02902	23.1
85.06554	5.2
86.03232	3.4
86.09699	1.4
89.03912	7.1
91.05471	5.6
92.05791	1.0
93.03378	0.9
93.07041	12.2
94.07373	3.1
95.04971	5.1
95.08604	38.1
96.05321	0.8
96.08940	11.7
97.02886	9.7
97.06540	1.9
97.10159	9.2
98.03234	1.4
98.10498	2.6
99.04440	1.3
99.08082	3.1
103.03861	1.0
103.05508	3.7
104.10722	1.3
105.03388	1.2
105.04509	1.3
105.07042	4.2
106.04228	0.8
107.04964	5.6
107.08591	10.9
108.08935	3.1
109.02862	5.4
109.06522	1.9
109.10149	24.8
110.10486	6.9
111.00783	1.1
111.04433	4.5
111.08079	3.0
111.11708	7.8
112.12061	2.7
113.09641	1.0
115.05470	1.7
117.03399	6.9
117.07037	4.7
119.04955	2.4
119.08587	2.8
121.02870	1.7
121.06506	4.1
121.10130	7.6
122.10490	2.2
123.04432	2.6
123.10880	1.5
123.11707	16.4
124.12013	5.3
125.02336	2.5
125.09621	1.8
125.13276	7.3
126.13629	2.3
127.03880	4.6
129.06998	2.3
131.04895	5.3
131.08566	2.1
133.06506	2.3
133.10132	2.1
134.03683	1.8
135.04424	8.3
135.08076	1.6
135.11690	6.0
136.07602	0.7
136.11951	1.3
137.02333	1.3
137.05974	7.5
137.13251	13.6
138.13599	5.2
139.03896	40.3
139.11150	1.1
139.14803	2.3
140.15202	1.0
141.06972	2.6
141.12767	1.0
143.08594	1.1
143.14258	1.1
145.02887	4.2
145.04965	5.8
145.06482	8.1
145.10126	1.8
146.05226	1.2
147.04427	4.2
147.08087	1.1
147.11705	1.3
149.02335	3.8
149.05966	14.8
149.09589	1.1
149.13260	13.8
150.13606	5.2
151.03911	6.4
151.07536	3.3
151.14873	4.7
152.15161	2.6
152.51868	0.8
153.01826	7.4
153.06900	1.3
153.12750	1.5
155.04924	0.9
155.14336	3.5
156.14703	1.7
157.06500	1.9
159.04413	5.4
159.08057	2.3
159.11728	1.1
160.53773	0.8
161.05960	1.8
161.13274	1.1
163.03902	25.3
163.06024	3.7
163.07515	3.0
163.14799	3.3
164.04253	1.5
164.15195	2.2
165.01837	14.2
165.05475	12.9
165.09134	7.5
165.16359	4.0
166.16760	1.9
167.03473	1.5
167.07059	2.0
167.14322	7.7
168.14680	2.7
169.06506	2.6
169.15868	2.4
171.04402	2.4
171.11775	0.8
173.05969	8.5
175.03917	1.1
177.05467	100.0
177.16446	1.1
178.05762	1.8
178.99883	0.8
179.03404	15.1
179.17917	3.2
180.18268	1.3
181.04936	2.3
181.06526	1.8
181.08478	0.7
183.02927	6.3
183.04305	1.3
184.07343	1.0
185.05951	2.4
187.07559	2.7
189.01848	8.0
189.05434	2.7
191.03386	23.1
191.07031	4.5
191.17943	1.0
193.19504	1.7
194.19847	1.0
197.00868	1.5
197.04390	1.1
197.06012	3.5
197.18904	1.0
199.03891	1.6
199.07515	1.5
199.40785	0.7
201.05447	7.7
203.03366	5.0
203.07126	0.9
205.01390	1.3
205.04904	9.4
205.19543	0.9
206.19800	1.4
207.02956	3.6
209.04356	4.1
209.06056	2.1
209.08134	2.1
213.05371	3.7
215.03484	1.4
215.07039	2.2
217.04950	1.9
219.06516	3.1
219.21045	1.4
220.21475	1.5
223.03918	0.7
225.05490	2.2
227.03334	2.1
229.04988	7.5
231.06496	9.9
233.00703	0.9
233.04582	1.0
235.02388	2.5
237.05432	3.5
239.03429	0.9
239.18239	0.8
241.04948	9.0
243.06529	3.3
245.04437	5.6
245.08202	1.3
249.25862	1.0
250.26019	1.2
255.02866	2.4
255.06493	7.7
257.04523	2.6
257.07983	1.4
259.02319	1.1
259.05966	7.8
261.07422	0.7
265.05017	8.7
267.06516	1.5
269.04468	2.7
271.05966	1.5
273.03946	28.3
273.07266	2.0
275.27319	5.2
276.27676	9.0
277.03430	1.7
277.27859	1.0
283.05994	15.8
283.08896	0.6
285.04105	2.0
285.07394	1.1
287.05460	7.0
291.05023	2.8
293.04385	6.0
293.28366	15.1
294.28729	19.4
295.29037	3.5
299.05429	1.2
299.08820	1.0
301.07007	5.1
303.08545	4.2
309.03784	0.9
311.05496	30.7
311.09094	1.6
311.29504	4.3
312.29803	5.4
313.23767	1.2
313.30151	1.4
315.05179	0.9
315.08466	4.0
325.07117	2.5
325.11169	0.8
326.11761	1.2
329.06570	36.7
329.10141	3.7
330.06863	1.5
339.08557	1.7
341.10165	13.4
343.08133	13.3
347.07568	5.6
355.08051	1.0
355.11755	2.8
361.09177	38.1
379.11151	1.1
391.11591	1.6
409.12820	1.5
419.11316	1.1
420.32089	1.2
423.10791	7.6
433.12796	1.7
443.11234	1.7
457.33295	1.1
461.12296	23.4
462.12579	1.1
466.68469	0.8
475.13626	2.9
479.13339	58.8
480.13611	3.3
493.14868	15.0
511.16006	38.1
511.28201	0.8
512.16364	2.4
523.14313	1.3
672.39954	1.2
673.20667	15.8
673.33423	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	673.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.7
55.01865	3.0
55.05503	10.0
57.03431	2.3
57.07077	7.3
61.02910	1.9
65.03940	1.2
67.05503	14.8
68.05808	1.5
68.99783	4.2
69.03432	11.1
69.07067	23.3
70.07408	2.5
71.04980	4.1
71.08614	3.1
73.02897	1.9
78.86855	1.2
79.05497	12.1
81.03404	7.3
81.07053	41.8
82.07384	7.9
83.01323	1.3
83.04967	4.9
83.08612	13.9
84.08945	4.0
85.02897	20.1
85.06543	6.1
86.09685	1.5
89.03910	8.3
91.05463	8.6
92.05801	1.4
93.07043	16.8
94.07383	3.0
95.04953	9.5
95.08023	1.8
95.08603	34.2
96.08920	10.1
96.82510	1.1
97.02891	8.6
97.06502	2.5
97.10157	10.2
98.10463	2.2
99.04460	1.3
99.08084	2.9
103.05435	6.6
105.07025	7.2
107.04977	6.5
107.08593	16.6
108.08920	3.5
109.02879	8.8
109.06492	2.3
109.10144	30.2
110.10498	9.4
111.04419	4.5
111.08092	1.9
111.10976	1.4
111.11707	8.6
112.12030	1.9
115.05441	2.9
117.03360	7.5
117.06998	3.7
119.04919	1.8
119.08614	7.0
120.08923	1.3
121.02863	3.3
121.06516	5.7
121.10139	9.2
122.10471	3.6
123.04393	3.3
123.08062	2.1
123.11704	16.6
124.12035	6.8
125.02372	1.5
125.09621	2.9
125.13252	3.8
126.13552	1.6
127.03882	4.7
127.11181	3.6
128.11517	1.8
129.07014	3.7
131.04936	7.0
131.08557	2.7
133.02863	1.5
133.10117	4.1
134.03583	2.6
135.04413	11.1
135.08078	2.5
135.11700	5.6
137.02266	1.9
137.05974	8.3
137.09604	5.2
137.13242	9.4
138.13589	4.2
139.03891	53.3
139.11185	1.9
141.07036	1.5
143.04837	1.9
143.08536	2.3
143.10658	4.1
145.02843	6.1
145.04987	3.5
145.06485	8.9
145.10144	3.5
147.04390	3.1
147.08041	1.6
147.11661	2.7
149.02330	2.9
149.05975	17.5
149.09616	1.9
149.13245	12.2
150.13594	4.6
151.03928	5.8
151.07495	4.4
151.14807	3.8
152.15121	2.9
153.01816	8.6
153.06961	2.8
153.12665	1.6
155.04817	1.8
155.14255	2.7
157.08533	1.5
159.04411	3.0
159.11784	2.5
161.05937	1.9
163.03915	21.0
163.06044	1.7
163.07526	2.8
163.14844	3.1
165.01816	19.1
165.05469	24.2
165.06937	2.0
165.09113	32.0
165.16357	3.8
166.09442	9.9
167.06998	2.8
167.14285	3.1
168.14597	1.6
169.06476	2.0
169.07613	26.1
169.12289	1.4
170.07945	11.6
171.07944	1.2
173.05981	12.2
175.07510	2.0
177.05463	100.0
177.16383	1.5
178.16695	1.3
178.99789	1.3
179.03377	22.8
179.17969	1.8
181.01361	1.1
181.04922	2.3
181.06482	3.1
181.08818	1.6
183.02908	10.0
183.04408	2.1
185.05956	2.2
187.03908	1.6
187.07547	4.4
189.01804	3.9
189.05539	1.4
189.16432	1.3
191.03380	22.1
191.06987	5.6
191.10634	1.4
191.17903	1.6
193.19572	1.1
197.00819	3.5
197.06021	3.1
199.03911	2.3
201.05414	9.2
201.16347	2.5
203.03351	3.4
205.04951	8.2
205.12247	4.1
207.02846	4.0
209.04373	21.8
209.06013	3.0
209.07921	2.4
213.05437	4.3
215.07039	2.5
217.05055	2.9
219.06509	5.1
227.03331	3.9
227.06944	2.1
229.04930	8.2
231.06526	12.3
235.02376	3.2
237.05457	4.0
241.04956	14.8
243.06541	4.6
245.04419	4.0
250.26218	1.2
255.03056	1.4
255.03558	1.7
255.06442	16.7
257.04413	3.9
257.07950	1.8
259.05939	8.2
263.08276	1.3
265.04968	9.1
265.09650	6.0
266.10007	4.0
267.06366	2.4
269.04428	4.1
271.06024	1.7
273.03964	17.6
273.07007	2.4
275.27347	3.6
276.27747	6.5
281.28394	2.3
282.28674	4.5
283.06000	23.8
285.04028	1.4
287.05524	6.0
293.04398	6.3
293.28296	12.5
294.28751	16.5
295.29120	2.7
299.05511	5.4
301.06973	5.3
303.08521	3.6
311.05450	49.2
311.09079	2.6
311.29401	2.4
312.06033	1.6
312.29779	3.0
315.08572	6.6
322.24808	1.5
325.07129	1.7
329.06482	33.2
329.10168	7.9
329.30365	2.1
330.30774	4.8
331.08749	1.3
335.13876	12.9
336.14178	15.3
339.08749	1.5
341.10144	17.0
343.08069	9.0
347.07483	4.7
355.11670	4.8
355.15448	1.8
361.09204	13.2
363.13361	8.5
364.13840	9.7
379.11658	2.3
381.13235	2.0
391.11688	4.4
409.12799	5.0
419.11359	1.5
423.10690	13.3
433.12674	2.8
435.14355	1.5
439.35693	1.9
443.11179	2.3
451.13870	2.3
461.12292	53.4
462.12546	1.9
475.13705	4.7
475.33859	3.2
479.13345	75.9
480.13318	3.2
493.14847	30.3
494.15411	1.7
511.16025	31.0
526.18909	3.0
672.39471	3.2
673.19556	1.5
673.32306	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	673.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05424	1.2
67.05721	0.6
69.69514	1.2
79.05359	1.9
81.06938	1.9
86.52566	0.6
92.80516	0.6
93.06902	3.4
94.06426	2.9
95.04842	0.9
95.07217	2.0
95.08521	1.4
96.07997	4.1
98.22707	0.6
99.05824	0.7
105.06935	0.8
107.08483	1.3
108.07973	4.1
109.10042	1.3
110.09531	8.4
110.10354	1.4
120.08104	5.0
121.06368	0.7
122.05872	3.6
124.07476	0.8
124.21562	0.6
134.05885	0.8
135.11603	0.6
135.50423	0.6
136.07550	4.7
138.09146	8.9
148.07466	1.2
152.06970	0.6
153.01695	1.4
163.03723	0.9
163.11116	0.6
165.09102	3.5
166.08594	12.2
191.94748	0.6
204.06493	1.4
205.71706	0.7
208.09781	0.7
209.10509	1.9
223.12109	0.6
225.10115	1.5
235.08441	2.2
236.09412	3.3
237.10213	15.8
238.10675	1.0
243.11215	0.9
249.10222	10.5
250.11021	3.0
251.07942	0.9
251.11734	4.3
252.08748	1.1
253.09804	2.8
255.11105	0.8
261.10062	2.1
263.07855	1.5
263.11746	0.7
264.08926	7.7
265.09744	7.1
266.10291	1.4
267.11218	3.9
269.09161	1.1
271.05917	1.2
275.07587	0.8
276.08807	0.7
277.09686	11.3
278.10440	4.1
279.08044	0.9
279.11249	12.1
280.11862	1.3
281.09296	2.8
283.10751	1.5
285.12280	1.1
287.05389	1.1
289.09583	1.0
291.07632	1.4
291.11008	0.8
292.08377	1.3
292.11865	0.9
293.09238	41.1
293.12598	5.9
294.09528	2.7
294.13049	1.1
295.10855	2.9
297.08710	0.6
297.12198	1.0
305.09201	8.3
306.09839	1.0
307.10748	8.2
308.10974	1.0
309.08572	2.2
309.12213	2.4
311.10074	1.7
311.13535	0.9
312.10818	1.3
313.11725	2.4
317.14923	3.2
319.10587	1.1
321.12161	1.2
323.10306	4.8
324.10825	1.6
325.11829	3.5
326.12543	1.2
327.13342	1.6
333.08655	4.4
335.09616	2.5
337.11685	2.7
339.09760	0.7
339.13422	8.1
340.14108	1.1
343.13043	0.8
347.10007	0.9
349.19806	1.3
351.09775	20.1
352.10178	1.9
352.14267	0.8
353.11041	1.9
353.14896	1.7
354.12222	1.0
355.12878	2.3
356.13876	0.9
364.14410	0.9
365.11356	3.3
366.12146	4.2
367.12854	1.2
368.13828	1.0
369.14612	1.1
370.11514	1.1
371.12326	3.3
382.15457	1.6
383.12286	5.8
384.12897	1.2
384.17117	1.4
385.13855	3.9
396.13394	1.3
397.13892	5.4
398.14594	2.2
410.15030	1.4
412.16425	1.4
418.17514	2.4
428.15894	1.7
438.14352	2.5
439.32043	0.9
442.16873	0.8
446.17059	11.8
456.15485	5.4
457.32922	1.0
458.17130	1.4
461.15891	1.6
475.33862	1.4
476.18225	4.1
478.19861	7.6
488.18005	2.0
511.19345	0.7
518.18988	2.9
519.19678	3.1
520.20587	1.0
536.20105	3.7
541.33392	1.0
550.21838	44.5
551.22601	100.0
552.23065	9.4
591.22369	0.9
609.23364	4.8
623.24731	1.8
641.26013	11.6
642.26355	1.5
673.26288	1.6
673.37616	25.5
674.37701	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.5
69.07088	0.9
70.23208	1.7
71.12933	0.6
79.05489	1.0
81.07044	1.5
83.08611	0.6
91.05485	1.2
93.07021	1.6
94.06559	2.0
95.04987	0.8
95.08578	1.4
96.08132	0.9
98.93626	0.6
105.07052	1.1
107.08596	1.0
108.08142	1.5
109.10190	1.1
116.04961	1.5
119.08566	0.9
120.08118	1.0
122.06017	4.8
124.07548	3.3
136.07571	2.2
138.09105	1.5
139.07561	1.0
140.07008	0.7
142.20525	0.7
144.04449	4.4
148.07565	0.7
150.05476	2.8
153.01814	0.9
160.03888	0.7
162.05499	2.2
165.09105	1.7
166.08591	1.6
168.06552	0.8
172.03928	19.1
172.07584	1.1
175.11000	0.7
182.08189	1.2
185.10800	1.3
190.04976	4.6
198.09178	2.4
198.11293	0.6
199.08551	0.8
201.10347	3.2
204.06544	30.4
205.06816	0.7
212.10738	1.4
213.10268	2.0
214.10915	1.3
215.11778	1.8
225.10139	3.4
227.08139	2.3
228.12619	1.5
229.09746	2.6
229.13312	0.9
239.11731	1.4
240.10150	1.2
241.09654	6.8
241.13374	2.7
242.10498	9.6
243.11249	4.4
244.12016	1.2
255.11253	1.3
256.12039	8.4
257.12848	10.0
258.11285	1.1
258.13718	1.0
267.11212	1.2
272.12738	1.6
274.12863	0.6
284.11594	5.4
285.12314	7.1
287.10324	1.6
289.15393	4.3
299.13968	0.9
301.11731	0.8
302.12567	1.9
317.14938	100.0
318.15326	2.0
325.11795	8.3
329.11478	1.2
343.12949	2.1
349.19781	0.7
357.14435	4.5
457.32977	1.3
461.15710	1.6
475.34140	1.0
476.18091	1.5
479.16708	1.3
488.18015	1.9
493.32953	0.8
511.19623	2.8
597.26819	1.9
609.23083	1.9
623.24426	0.9
641.26062	7.5
673.38800	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	673.415
Annotation	Guineamide D
Peak:m/z	Relative Intensity
55.05500	1.1
61.26981	0.4
67.05508	2.9
69.03372	0.5
69.07058	1.1
71.05031	0.6
71.20952	0.4
73.64216	0.4
79.05474	0.8
81.07056	3.3
83.04980	0.8
83.08595	0.7
85.02901	0.4
91.05471	0.8
93.07049	0.8
95.08607	3.3
97.02867	0.4
97.06522	0.5
98.08944	0.3
104.10751	0.7
105.07005	0.8
107.04936	0.4
107.08578	1.0
109.10158	5.1
119.08569	2.8
121.10156	1.1
122.07303	0.8
123.11694	0.9
131.08598	0.4
135.04402	0.4
135.08151	0.4
135.11665	0.7
137.09602	8.4
137.13220	0.8
138.09949	0.8
145.10126	0.4
149.09546	0.5
149.13214	0.5
151.07602	0.4
151.14816	0.8
153.01849	0.5
153.09029	0.5
159.11642	0.6
163.03886	1.8
163.14838	0.6
165.09109	100.0
166.09457	6.5
179.10634	1.2
181.04893	0.5
184.07307	0.5
203.10635	0.4
205.12218	2.9
240.10069	0.4
259.24207	0.5
260.20840	0.4
277.25330	0.5
287.05518	0.5
313.07007	1.2
323.25833	3.0
337.14621	0.6
352.06122	0.4
355.15646	0.5
411.12518	0.9
429.33640	0.8
454.84875	0.4
457.33060	1.0
475.34171	3.7
476.34702	0.6
493.14944	1.3
511.15750	1.5
673.39545	9.6
674.38910	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30688	0.6
62.98259	0.7
67.05485	0.6
69.07050	1.7
79.05503	0.7
81.07063	0.8
91.05480	0.6
95.08639	0.7
103.45408	0.5
119.08609	0.6
149.62921	0.6
154.33609	0.6
159.63776	0.6
167.48987	0.6
172.40993	0.5
195.09933	0.6
329.10275	0.5
331.15402	0.6
331.18790	3.0
339.19138	1.8
347.18353	0.7
349.19839	3.1
365.22946	1.5
429.22455	1.6
485.28485	1.1
503.29770	1.0
513.28290	11.6
529.31427	3.2
571.31836	1.3
641.25446	1.1
655.38513	2.1
673.42798	100.0
674.43066	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	674.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01865	4.1
55.05509	13.0
57.03424	1.4
57.07064	1.3
59.04999	1.5
65.03950	2.1
67.05503	15.4
69.03421	7.8
69.07068	8.0
71.04996	2.1
79.05502	9.3
81.03422	7.8
81.06573	1.8
81.07058	34.9
83.04984	2.2
83.08617	5.1
84.44451	1.3
85.02917	7.1
85.06559	3.1
87.04452	2.3
89.03907	2.9
91.05466	8.7
93.07055	10.4
95.04982	6.9
95.08601	10.8
96.08930	1.2
97.02888	4.8
97.06532	4.3
97.10169	4.6
99.04455	1.5
99.08128	1.7
103.05465	2.6
105.07027	6.8
107.04977	6.3
107.08588	5.3
109.02866	6.0
109.06503	2.5
109.10155	9.7
111.08041	1.5
115.05452	1.6
117.03402	3.9
117.07000	3.0
119.04928	1.7
119.08591	4.2
121.06516	2.7
121.10152	2.7
123.04422	2.2
123.11707	16.5
124.07599	1.6
125.06007	1.2
127.03907	4.6
129.05533	1.5
129.07019	4.4
131.04944	3.6
131.08585	3.8
133.04956	1.5
133.06561	2.5
133.10153	4.4
135.04384	6.2
135.08022	2.3
135.11678	4.0
137.05980	8.6
137.09627	5.9
137.13318	2.1
139.03960	2.2
139.11230	1.4
141.06999	2.3
143.08559	1.5
145.02849	6.4
145.04829	1.4
145.06490	2.0
145.10158	4.1
147.04422	6.5
147.08107	2.0
147.11652	1.6
149.05974	4.8
149.09677	2.1
151.03915	2.4
151.07460	2.5
151.11188	4.6
153.01790	2.7
153.05508	1.5
153.06938	2.7
153.12726	2.1
155.08615	1.9
157.10141	1.4
161.05980	8.2
161.09665	1.9
163.03894	59.0
163.07564	3.5
163.11151	2.6
164.04308	1.6
165.05492	4.8
165.06931	2.7
165.09113	14.9
166.09459	2.3
167.07039	4.5
167.08415	1.3
169.06485	3.5
169.12244	7.6
173.05981	66.8
174.06415	2.7
175.03835	3.2
175.07578	3.8
177.05473	6.9
178.05013	1.3
179.03406	5.0
180.03758	1.7
181.04930	4.3
181.06473	6.4
183.08018	2.0
185.05870	5.9
187.03961	1.6
187.07515	12.7
187.13310	5.7
189.05542	6.1
191.03328	1.9
191.10655	2.7
193.06447	1.5
195.04681	1.3
195.08012	3.7
197.06026	10.3
197.07697	1.8
199.07556	14.8
201.05461	32.8
201.07310	2.4
201.09178	1.5
203.07047	2.7
205.12157	1.3
209.05975	3.3
209.07829	2.1
210.06766	2.2
211.07590	10.3
213.05476	24.2
213.09033	8.3
215.07008	10.5
217.04958	35.6
223.07516	2.4
225.05466	13.0
225.08981	5.7
226.06227	2.8
227.07043	22.9
227.09123	2.2
229.04941	20.6
229.08530	1.5
231.06499	2.4
235.07536	2.1
237.09236	3.2
239.07021	3.6
241.04984	2.6
243.06516	7.1
249.12796	5.4
250.09914	1.6
253.08672	3.9
255.13757	1.6
263.14340	2.0
265.08600	3.2
265.12198	3.4
267.13864	10.5
279.23087	1.5
281.15286	5.3
283.13354	1.5
285.14825	4.3
287.05463	6.6
291.13754	5.3
295.15427	4.6
297.11279	3.7
297.24130	1.4
301.11771	1.6
307.08115	1.8
309.15005	7.8
311.12811	12.2
313.14182	22.9
319.13132	2.3
325.09204	4.3
327.12451	1.6
327.15903	8.1
329.13828	83.8
330.14053	4.1
331.17633	9.5
337.14301	29.9
338.14603	1.8
347.14883	2.0
355.15408	93.8
356.15732	4.6
371.14139	1.4
373.16452	100.0
374.16730	3.9
391.17700	2.1
415.17700	1.5
459.20163	2.6
477.21408	6.0
588.63678	1.3
674.34790	6.3
675.35181	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	675.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.2
55.05499	0.1
67.01861	0.4
67.05492	0.2
68.99783	0.4
69.00099	0.1
69.03426	0.2
69.07065	0.2
69.27472	0.3
71.04984	0.2
79.05483	0.3
81.03423	0.6
81.07057	0.5
83.04969	0.1
85.02902	0.1
85.06543	0.1
89.03909	0.2
91.05478	0.3
93.07037	0.7
94.06548	0.1
95.04958	0.2
95.08611	0.3
97.02885	0.2
97.06530	0.2
97.10138	0.1
99.04456	0.2
105.07032	0.5
107.04937	0.1
107.08591	0.7
108.08134	0.1
108.08866	0.1
109.02859	0.4
109.06513	0.2
109.10145	0.3
110.09641	0.1
111.00773	0.1
111.04469	0.1
111.08043	0.2
117.03374	0.2
117.07027	0.1
119.08578	0.2
120.08101	0.1
121.06486	0.3
121.10107	0.6
123.08070	0.1
127.03917	0.2
127.07563	0.1
129.01779	0.1
131.04922	0.1
133.10112	0.2
135.04398	1.3
135.07994	0.2
135.11691	0.3
136.07562	0.2
137.02319	0.6
137.05988	0.1
137.09561	0.1
138.09126	0.1
138.45868	0.1
139.03888	0.1
139.72612	0.1
145.10110	0.6
147.11687	0.1
149.01089	0.1
149.05910	0.1
149.09602	0.2
151.07553	0.1
153.01813	5.0
160.27826	0.1
161.02333	0.8
163.03903	0.5
163.11151	0.9
164.04224	0.1
164.07060	0.1
165.05481	0.2
165.09077	0.2
166.08560	0.1
167.10614	0.4
169.08617	0.6
171.02838	0.7
173.09557	0.1
175.07463	0.1
177.05467	0.2
178.05893	0.1
179.03395	0.4
181.12192	0.2
185.05994	0.1
185.11691	0.1
191.10597	0.6
199.03880	0.1
201.05472	0.1
201.62418	0.1
203.03416	0.1
209.11739	0.4
213.05441	0.1
217.04942	0.1
218.05650	0.1
219.06493	0.2
227.12772	0.8
241.04887	0.7
245.04404	0.2
249.10298	0.2
259.06146	0.1
259.10797	0.1
263.05484	0.1
263.11615	0.1
269.04440	0.3
274.04327	0.1
285.12531	0.1
286.04370	0.1
287.05469	100.0
288.05798	3.0
311.05411	0.2
329.06451	0.2
338.14417	0.1
353.15790	0.2
356.15582	0.1
371.16840	0.2
395.07541	0.1
400.16400	0.1
449.10626	0.2
454.13947	0.2
472.14838	0.3
481.13876	0.1
488.18103	0.1
492.17545	0.2
495.16757	0.1
504.18008	0.1
599.24744	0.1
607.21503	0.1
625.23315	0.1
639.23419	0.1
643.24084	0.1
657.25610	0.4
675.22754	1.0
675.35272	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
62.20012	1.0
66.74123	0.8
67.05509	1.5
70.69706	1.7
79.05502	1.1
81.07026	1.5
91.05479	1.6
95.04950	1.1
95.08592	2.3
98.52866	0.9
398.13712	1.4
399.14374	2.7
400.15317	1.2
412.15317	3.7
413.16052	14.1
414.17004	15.7
415.18204	3.7
426.16733	6.2
427.17529	17.1
428.18341	17.9
430.16266	1.4
432.19000	1.5
433.19275	1.7
441.19540	14.0
442.19778	28.9
443.20712	7.2
445.18329	1.4
455.21100	2.2
469.18707	23.9
470.18896	22.9
471.17545	2.1
472.17175	3.8
473.17896	3.1
474.18127	3.6
485.13492	1.7
486.18152	1.8
495.16360	1.2
500.20142	1.4
501.21146	2.2
505.31113	1.2
509.17914	1.8
510.18549	1.6
513.17688	15.9
514.17865	20.8
515.17517	1.7
525.21411	6.1
557.23938	87.2
558.24622	4.9
573.22937	1.5
587.21075	1.6
588.25739	22.5
600.22101	2.2
601.22223	3.9
615.24396	17.2
616.24725	100.0
617.24689	10.6
631.28131	2.1
643.23920	39.8
644.24164	2.9
675.26654	13.0
675.42236	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	675.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.2
69.70673	0.7
70.77209	0.2
73.45007	0.2
81.07087	0.4
95.08614	0.4
108.27532	0.2
153.01888	0.5
175.62196	0.2
389.49429	0.2
400.15442	0.2
411.14841	0.2
413.16119	0.9
414.17056	0.4
415.17902	0.3
416.14529	0.4
425.16257	0.4
426.16995	0.6
428.18829	0.5
429.15100	1.2
430.16525	0.9
439.14056	0.6
440.14166	0.4
440.19211	0.5
441.20309	1.5
442.16449	1.0
443.17587	1.4
444.18045	1.5
445.18842	2.7
453.15826	0.4
454.16565	0.6
455.13257	0.6
455.18027	0.5
456.18103	0.8
457.14902	1.6
457.19336	1.4
458.20013	0.4
459.16016	0.3
466.12482	0.3
467.18439	1.1
468.14420	1.1
469.14182	2.4
470.15399	1.7
471.16266	3.3
472.17270	1.5
473.18588	0.2
475.19519	0.3
480.13901	1.8
481.14609	2.4
482.15775	3.1
483.16656	3.9
484.17331	1.3
485.18466	4.5
486.18729	0.6
494.15811	0.6
495.16702	9.2
496.17404	5.5
497.18185	10.8
498.19257	1.5
499.16113	0.6
499.19843	0.8
500.16812	1.0
501.21451	0.2
502.18707	0.5
503.19321	0.3
509.17984	0.7
510.19415	0.3
511.19882	1.2
513.17633	1.7
514.18738	0.6
515.19775	0.9
517.21136	0.4
524.16815	0.3
527.19415	0.6
528.16473	0.5
529.21088	1.2
530.21246	0.3
531.18927	0.6
536.19482	0.3
538.20209	0.2
541.18201	0.4
542.18323	0.8
544.16144	0.2
545.25024	0.2
555.18658	11.0
556.18823	1.2
557.20160	1.0
569.20538	0.3
573.23993	3.1
583.22070	0.9
584.22601	0.3
585.22766	0.7
596.21295	0.3
601.22583	0.5
616.21948	0.5
617.22510	2.6
618.23108	0.3
627.21411	0.6
629.21863	0.4
643.23956	4.7
644.24402	1.6
645.22028	2.4
646.22406	0.3
657.25751	0.8
660.13214	0.3
660.24164	5.1
661.24896	0.5
675.26599	100.0
676.26770	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	675.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28914	0.3
61.64149	0.3
67.24544	0.3
70.38928	0.3
70.69272	0.5
77.36219	0.3
85.35143	0.3
132.74544	0.3
211.08499	0.4
280.91437	0.3
379.04733	0.3
440.19077	0.4
441.19690	0.5
444.18430	0.4
445.18872	0.5
453.15823	0.6
454.16589	0.6
455.12811	0.6
456.14334	0.4
465.15762	0.3
467.12921	0.5
468.13425	2.1
469.14764	7.6
470.15414	2.7
471.16965	0.8
472.17838	0.5
480.14328	0.9
481.14865	2.5
482.15875	10.4
483.16577	10.9
484.16998	2.8
485.18008	0.6
495.16467	2.8
496.17404	5.6
497.18192	39.8
498.18854	5.0
499.19717	0.8
500.17270	0.3
509.18106	0.6
510.19336	2.5
511.19861	5.6
512.20416	1.3
513.18512	0.4
515.19366	1.6
523.16333	0.5
527.15222	0.4
528.16199	2.1
529.17242	0.7
538.20673	0.9
541.17279	0.9
542.17664	2.6
555.18719	3.5
556.19598	3.7
557.20367	3.3
569.20624	0.6
571.21820	0.5
573.22772	0.6
586.90930	0.3
616.21478	1.6
617.21802	0.6
625.23132	0.5
629.22809	0.6
630.23523	0.7
643.23914	7.0
644.24677	9.0
645.24109	1.3
657.25507	6.8
658.25458	0.4
660.24231	0.9
675.26587	100.0
676.26819	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	675.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38690	0.9
55.05507	1.2
67.05492	2.6
69.07063	1.4
69.17166	5.7
79.05481	3.4
80.04996	1.2
81.03399	1.4
81.05754	1.1
81.07056	3.6
82.06577	1.9
83.08595	1.4
85.02916	1.6
91.05482	4.1
93.07034	7.4
94.06565	8.8
95.04974	2.7
95.07360	4.6
95.08607	3.8
96.08124	12.3
97.02904	1.2
97.06514	1.2
103.05488	1.4
105.07034	1.4
106.06531	0.9
107.08591	2.1
108.08125	11.2
109.02847	1.3
109.10159	2.2
110.06059	1.5
110.09682	18.8
119.08549	1.9
120.04459	1.1
120.08095	15.5
120.08896	1.4
121.06495	2.1
121.10165	1.6
122.06035	8.7
122.82172	0.8
123.11697	1.2
124.07584	1.9
131.08609	0.9
133.10120	1.1
136.07555	9.6
137.05969	2.6
138.09143	26.3
141.07010	0.9
146.06071	2.5
147.04413	1.1
147.11729	1.4
148.07579	5.8
151.03894	1.2
151.07610	1.3
152.06984	1.0
153.01825	2.2
160.07622	1.2
163.03917	3.1
165.05437	2.0
165.09120	7.0
166.08618	29.1
175.07451	0.9
177.05464	1.3
211.08667	1.8
221.10709	1.8
222.11555	1.1
225.10358	0.9
234.07793	1.0
235.08582	1.9
236.09373	1.3
237.10336	2.1
247.08688	3.0
248.09497	2.0
249.10231	22.5
250.10974	3.5
251.11746	3.2
253.09743	1.0
255.11232	1.3
261.10272	2.9
262.11035	1.6
263.08136	1.4
263.11777	3.6
264.12369	1.1
265.09634	3.0
271.06033	2.2
277.09656	13.9
278.10379	4.9
279.08322	0.9
279.11389	4.4
287.05484	7.8
289.09726	2.8
291.11307	4.9
292.11877	1.1
293.09216	1.6
304.08368	0.9
307.10727	1.7
309.12183	7.1
310.13257	3.6
311.10358	0.9
314.12927	1.8
315.13708	1.5
316.11090	0.9
321.08633	1.4
323.10406	1.1
324.14886	1.5
325.15848	1.8
326.12988	2.0
326.16565	1.0
327.14011	1.1
328.10898	3.1
328.14496	3.5
329.15155	1.9
330.12479	1.3
332.14014	1.0
335.10135	2.4
338.12759	2.1
339.13782	1.8
340.14536	2.1
341.11926	2.8
342.12329	6.2
342.15912	1.8
343.13113	2.0
344.13873	3.4
351.13504	1.4
352.14392	4.6
353.15427	2.1
354.12314	3.1
354.16006	2.5
355.13358	3.4
356.10059	1.8
356.13870	9.6
357.14658	4.5
358.11499	1.8
358.15509	2.7
368.13940	1.9
369.10837	1.6
369.14865	2.2
370.11658	2.2
370.15570	6.1
371.16373	3.1
372.12985	1.7
372.17294	4.3
373.14215	1.2
374.15039	1.9
380.13977	3.6
381.14581	1.9
382.11682	2.9
382.15988	5.5
383.12949	2.1
384.13336	10.3
384.17047	1.1
385.14185	3.5
386.14929	3.1
388.16434	1.3
396.13412	2.1
397.14154	1.5
398.15027	12.1
399.15897	6.0
400.16733	14.4
401.13547	1.1
402.14218	2.2
410.15128	3.0
412.12656	4.4
413.13678	1.1
414.13617	1.4
414.18173	3.5
416.16132	5.1
417.16919	2.3
426.14432	12.7
428.16052	10.6
429.16385	1.3
430.13544	1.9
431.14359	1.2
436.12524	1.2
441.33817	1.5
442.17517	5.8
443.14377	2.0
444.15302	6.4
446.16974	1.2
454.13959	34.0
455.13849	2.0
458.16879	1.6
460.19360	11.0
472.15015	80.5
473.15277	3.7
474.16522	12.1
477.15457	2.6
486.16354	3.3
492.17633	46.2
493.18149	2.5
495.16351	2.7
504.17596	26.8
505.17847	1.4
506.19003	2.0
513.17267	2.1
520.20514	1.3
522.18549	4.2
579.22327	2.1
607.21832	13.3
608.22076	1.7
611.25012	7.4
625.22931	32.0
626.22986	2.1
629.25079	2.1
639.14154	1.5
639.24420	30.4
640.24481	2.5
643.23499	2.5
657.25488	100.0
658.25879	5.8
675.23914	4.8
675.36194	14.4
676.36401	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.5
67.05499	3.7
69.07065	3.3
79.05485	3.8
81.07056	7.9
83.04992	1.5
83.08625	2.2
84.36152	1.3
85.06525	1.6
86.09722	3.1
88.19231	1.3
91.05466	3.6
93.07037	6.6
95.08627	6.9
97.06519	1.8
101.57047	1.5
104.20990	1.3
105.07040	4.5
107.04949	1.5
107.08587	5.0
109.10175	3.6
119.08570	3.6
121.10117	2.2
123.08062	2.1
123.11696	1.9
127.44817	1.4
133.10149	5.0
135.11726	1.9
137.05861	1.4
137.13327	1.8
145.10107	1.9
147.11740	2.8
148.12077	1.3
149.13243	1.6
153.01823	4.7
161.13255	2.0
163.11127	1.2
165.05537	1.4
179.68356	1.2
184.07294	8.1
185.07637	1.4
192.72545	1.5
204.06635	1.5
221.11456	2.8
269.10703	1.9
270.39386	1.4
287.05508	15.4
288.05853	1.8
317.15094	3.1
318.15195	3.0
319.15588	2.9
329.42593	1.5
349.19855	100.0
350.20157	3.5
411.16626	1.5
441.33136	1.5
459.34598	3.1
460.34839	4.0
477.35278	1.5
478.36105	3.5
512.30328	1.6
642.89423	1.5
675.23981	8.5
675.38348	17.4
676.39130	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	675.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31298	0.5
60.60448	0.5
67.05497	1.1
69.07078	0.9
69.61343	1.9
75.37790	0.5
81.07043	2.0
85.02888	1.0
93.07030	1.0
95.08602	1.1
107.08580	1.0
109.10157	1.6
121.10151	1.0
123.08086	0.9
130.22272	0.5
131.40981	0.5
133.10098	0.8
137.05794	1.9
137.47610	0.5
139.07532	0.5
149.09589	0.6
149.13188	0.6
153.01819	1.2
160.10901	0.5
160.55403	0.5
195.02652	0.5
201.09818	0.6
253.12798	1.1
279.14453	0.8
287.05472	5.8
297.15399	0.9
338.65076	0.6
349.19843	100.0
350.20154	3.8
398.31180	0.7
441.33362	0.7
459.34659	1.4
497.23508	0.6
675.38635	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	677.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	0.3
67.01608	0.2
70.06585	0.3
71.17247	0.2
88.07636	0.5
95.08605	0.2
97.37660	0.2
102.09189	0.2
102.82492	0.2
149.02351	0.5
151.73177	0.2
185.04303	0.6
193.04953	0.6
203.05292	1.7
256.26382	1.7
259.07968	1.3
272.29324	0.2
304.53934	0.2
347.09439	1.4
353.15134	0.2
365.10559	3.5
421.13019	1.1
448.30786	0.2
515.31903	22.5
516.32428	1.3
537.29956	0.3
590.22461	0.2
630.17706	0.2
632.20862	0.2
677.37073	100.0
678.37500	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	677.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84888	0.1
53.03904	0.1
57.07025	0.3
67.05450	0.1
70.06564	0.2
71.08602	0.1
81.06998	0.2
87.08028	0.1
88.07565	0.4
102.09113	0.3
102.09769	0.1
149.02226	0.4
158.72133	0.1
185.04192	0.8
193.04950	0.8
203.05234	1.5
220.79265	0.1
227.66443	0.1
228.43224	0.1
256.26321	1.1
259.07861	1.3
297.41385	0.1
301.58105	0.1
305.08340	0.3
347.09457	1.5
347.79681	0.1
365.05936	0.2
365.10529	3.4
421.13089	1.4
431.19614	0.1
515.31885	23.0
516.32227	1.0
590.22693	0.2
677.37073	100.0
678.37427	5.1
678.49274	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06533	0.9
53.03943	2.4
55.01857	1.1
55.05257	1.4
55.05510	17.1
57.03433	8.5
57.07066	4.4
61.02923	22.5
65.03935	3.5
66.86657	0.9
67.05503	90.3
69.03417	4.4
69.07068	16.9
69.27970	4.4
71.04979	3.6
71.08633	1.9
73.02909	8.4
75.04485	1.8
77.03908	1.2
79.05489	50.0
81.03410	1.1
81.07054	100.0
82.07401	1.1
83.04985	1.6
83.08609	10.3
85.02898	23.2
85.06544	3.9
89.90897	0.8
91.03955	20.2
91.05472	25.6
93.07043	66.4
95.04955	6.9
95.08602	79.0
97.02895	10.7
97.06515	3.5
97.10155	3.7
98.22682	1.8
99.04442	1.2
99.08101	2.6
99.25027	0.8
105.04498	1.2
105.06288	0.6
105.07027	21.2
107.08588	40.0
108.08950	0.8
109.06514	2.7
109.10155	41.2
111.08053	2.9
113.09653	1.7
117.07004	10.2
119.08572	19.0
121.10138	42.9
123.08058	2.6
123.11709	19.0
123.12626	1.0
125.09651	1.8
127.03912	7.1
131.08559	21.3
133.10129	15.6
134.09630	2.3
135.08051	1.1
135.11684	31.9
136.49258	0.7
137.09608	2.5
137.13223	8.9
139.11195	1.7
145.04962	10.2
145.10117	17.8
147.11678	15.0
149.12094	1.8
149.13251	26.1
151.11157	2.0
151.14825	2.3
153.12689	1.4
159.11687	17.4
161.13249	14.1
163.06017	13.5
163.11185	1.3
163.14793	14.2
165.12698	2.9
165.16400	0.9
173.13245	19.4
175.14751	4.6
176.37076	0.8
177.12666	1.6
177.16344	6.5
179.14313	3.4
181.12224	0.8
187.14828	11.5
189.16357	1.5
191.14285	2.8
191.79564	0.8
201.16344	2.9
205.15836	2.4
215.17912	1.8
219.17538	1.4
233.22664	4.0
233.24730	0.9
243.21089	37.6
261.22128	99.5
262.22449	3.3
263.23560	1.7
265.17773	0.9
279.23175	7.1
317.24930	0.9
335.25793	34.6
336.26083	0.9
353.26837	40.0
369.24118	0.8
380.39279	0.9
461.28882	1.0
497.30899	7.6
677.33807	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.5
57.56192	0.3
67.05509	0.6
69.07086	0.3
69.30488	1.1
70.06716	0.2
79.05502	0.4
81.03403	0.4
81.07050	0.8
83.04978	0.3
85.02908	0.4
86.08937	0.2
89.95058	0.3
93.07045	0.5
94.03964	0.9
95.08592	0.5
96.01890	1.3
105.07066	0.4
121.10133	0.4
122.06969	0.5
136.08617	0.3
149.09421	0.4
153.01828	7.1
153.05287	0.4
163.03978	0.4
164.08099	4.4
164.11638	0.4
165.09076	0.4
167.07063	0.3
178.09720	0.8
179.03407	0.3
179.10478	1.1
181.12044	0.9
195.13538	0.7
207.09923	6.2
208.10689	1.4
221.11475	3.7
222.16005	0.4
245.11539	1.1
249.14687	0.7
257.04419	1.3
258.05255	0.5
263.16110	1.5
264.20493	0.4
277.17935	0.3
286.04846	0.9
287.05493	3.3
288.05597	0.3
291.19308	1.1
297.03937	0.6
311.05664	0.9
323.05704	0.4
333.23996	1.5
335.21924	10.0
349.23328	3.5
358.20981	2.8
359.21835	1.6
360.22784	0.4
373.23605	0.7
435.14377	0.7
453.15112	0.4
479.16962	6.0
479.23184	0.4
480.17233	0.5
481.18719	0.8
496.31708	1.2
497.17990	5.5
497.32291	1.3
498.18451	0.7
499.19455	1.0
499.30145	0.8
514.32635	30.6
515.19147	7.8
515.33246	8.3
516.19702	0.9
516.33710	0.3
521.26947	0.4
677.38721	100.0
678.27960	0.4
678.39014	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47919	0.3
56.02064	0.3
65.55430	0.4
77.00912	0.6
81.07057	1.1
86.97349	0.3
93.07083	0.4
95.08620	0.3
97.06483	0.4
98.23421	1.0
112.04952	0.3
128.60551	0.4
153.01819	1.5
174.96246	0.3
185.06615	1.1
197.10289	0.9
201.09703	0.5
213.09688	0.5
215.11235	2.5
217.10973	0.5
223.11739	0.4
225.13338	1.1
231.10678	0.4
233.12355	0.9
235.11583	0.5
239.11383	0.7
243.14423	1.8
253.12914	5.0
257.12369	0.8
258.35712	0.4
261.15613	0.4
271.13922	3.6
276.14569	0.7
281.12335	0.7
288.28925	0.4
315.18076	1.6
333.19046	4.3
334.19376	0.5
351.21356	100.0
352.21732	3.9
356.16422	0.4
356.20712	0.5
369.21249	3.1
385.03656	0.4
387.00516	0.5
392.22803	0.8
469.44757	0.4
562.06592	0.4
580.22235	0.4
679.41345	1.7
679.51660	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
63.33156	0.7
110.92078	0.6
111.90269	0.6
125.92270	0.6
129.69028	0.7
210.79793	0.6
235.12959	0.7
259.06161	1.9
273.07764	9.6
277.07224	1.8
284.27045	0.7
289.07318	3.3
291.08737	12.7
307.08276	2.4
314.10333	0.9
318.40054	0.6
349.17648	2.3
353.13953	1.2
355.18311	1.8
371.15903	100.0
372.16214	3.6
389.15945	1.9
402.53302	0.9
471.20276	3.5
485.21887	14.2
501.21155	0.9
503.21677	1.1
565.27661	0.7
569.27783	2.7
583.29108	23.7
584.29333	2.5
599.28656	2.9
681.36426	95.0
682.36713	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	681.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
68.74432	0.4
69.59091	1.8
73.78420	0.5
73.86375	0.5
90.28323	0.5
98.22684	0.8
117.19608	0.5
124.86182	0.5
235.12981	0.6
259.06219	1.2
269.10617	1.7
270.58383	0.5
273.07816	1.6
277.07236	0.8
282.54736	0.5
289.07178	2.0
291.08786	31.4
292.09158	1.1
302.08002	0.7
307.08139	1.1
309.09811	1.5
313.10861	0.9
332.11389	0.7
333.20361	0.7
347.02371	0.5
349.17679	2.8
353.13968	0.6
355.18546	1.6
371.15924	100.0
372.16409	3.8
389.16162	2.3
471.20181	3.3
485.21765	6.9
501.21149	0.7
543.25732	0.7
565.27924	1.5
569.27643	2.8
583.29126	18.3
584.29492	1.1
599.28717	1.6
623.31665	0.8
663.35638	2.0
681.36456	84.8
682.36761	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	681.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.5
67.05508	0.4
70.06607	0.4
71.45693	0.3
79.33979	0.3
81.03230	0.3
81.07065	0.8
86.11523	0.3
87.30947	0.3
87.80770	0.3
91.05477	0.6
93.07063	0.8
93.48221	0.3
94.03964	0.4
95.04983	0.4
95.08638	0.3
97.02692	1.0
98.03442	0.6
99.83115	0.4
107.04992	0.6
107.08608	0.4
109.40114	0.4
111.04224	0.8
112.05009	1.3
121.10158	0.3
123.65003	0.4
125.05779	0.9
133.41360	0.4
135.04375	0.5
153.01830	3.4
154.02214	1.2
155.02412	0.7
155.06784	7.5
155.07959	0.6
163.03893	2.3
164.04314	0.5
169.42595	0.3
183.09976	1.5
195.13628	0.4
197.11555	0.9
225.14693	0.8
245.11455	2.1
251.19983	0.5
253.17863	0.5
267.19250	1.9
281.20761	0.6
295.22510	1.0
323.25702	0.6
337.27234	1.4
339.25027	8.8
339.28970	0.6
347.73743	0.3
353.26633	3.8
364.11279	0.3
386.28104	0.4
472.67365	0.4
484.20389	0.6
500.34860	0.5
501.35391	0.5
503.33463	0.7
518.35779	33.9
519.36462	8.3
543.34534	0.3
681.41840	100.0
682.42358	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	682.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29656	0.2
53.03938	0.3
55.05501	0.7
57.03421	0.9
59.93529	0.2
60.04514	0.3
65.03944	0.5
67.05502	1.8
69.03426	3.3
69.07067	0.8
70.64862	0.4
73.02901	0.3
77.26373	0.2
79.05495	1.9
81.03394	0.4
81.07051	2.2
85.02900	2.3
87.04470	1.8
91.05477	6.7
93.07043	1.4
95.04950	0.7
95.08604	0.6
96.73856	0.2
97.02892	2.0
103.05457	0.5
105.07026	7.6
107.08588	1.5
109.06518	0.4
115.03931	2.0
115.05415	0.9
116.06219	1.5
117.07011	3.4
119.08579	10.4
121.06510	0.3
121.10162	1.5
123.08066	0.3
125.09624	0.2
127.03967	0.3
128.06166	1.7
129.06995	6.1
129.07965	0.3
130.07782	2.1
131.08560	23.5
132.08839	0.5
133.04974	2.2
133.10123	5.3
134.10414	0.3
135.08066	0.7
135.11668	0.3
137.09662	0.2
138.27377	0.3
141.06953	0.3
142.07750	0.9
143.08556	14.4
144.09361	4.5
145.04980	0.3
145.10121	14.0
146.10352	0.3
147.11633	1.2
149.09628	0.5
149.13245	0.8
150.07607	1.2
156.09335	0.8
157.10159	0.8
158.10907	15.9
159.11285	0.3
160.12413	0.2
163.03893	0.5
171.11696	0.9
173.13249	100.0
174.13589	2.8
175.14809	6.7
189.12700	0.3
191.14305	13.9
192.14725	0.3
193.15758	0.3
209.15364	1.0
215.14191	0.4
217.15874	0.3
225.44344	0.2
287.16403	0.2
295.10190	0.2
305.17487	1.6
307.19110	0.2
323.18420	0.4
353.19504	0.4
701.21973	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00021	0.4
53.03914	0.4
55.01872	0.6
55.05502	2.4
57.03435	1.1
57.07072	0.8
59.04986	0.4
62.06097	0.4
65.03942	0.8
66.32573	0.4
67.05504	6.3
67.48418	0.4
69.03424	5.0
69.04019	0.4
69.07064	5.9
69.40338	2.2
71.04987	2.1
72.75490	0.3
73.99172	0.3
77.03897	0.4
79.05489	4.0
81.03413	1.4
81.07054	18.9
83.04979	2.0
83.08617	1.8
85.02911	3.5
85.06540	3.4
87.04452	2.0
91.05476	6.5
93.07043	11.5
95.04964	2.7
95.08595	7.4
96.08948	0.5
97.02870	2.0
97.06527	3.1
97.10175	1.1
98.22723	0.7
99.04446	1.9
99.08095	0.4
101.06012	0.5
105.06355	0.6
105.07030	9.2
107.04992	0.5
107.08589	16.6
108.08977	0.5
109.02840	0.5
109.06525	5.9
109.10152	31.7
110.10458	0.7
110.17826	0.4
111.08071	1.4
111.11671	0.6
113.05991	0.6
115.03938	2.1
115.07606	0.6
119.04938	2.3
119.08559	3.9
121.06516	0.7
121.10143	6.2
123.08054	2.2
123.11705	9.3
125.09628	0.5
127.03911	1.1
127.07536	6.1
131.08563	1.2
133.04990	2.2
133.10124	28.6
134.10522	0.6
135.04338	0.6
135.08086	1.3
135.11684	3.6
137.05986	1.1
137.09573	0.6
137.13261	1.4
139.07539	0.6
143.08566	0.5
145.04900	0.6
145.10129	1.7
147.04404	13.6
147.11667	5.3
148.04747	0.5
149.09636	1.4
149.13246	1.2
150.07631	0.6
151.03928	0.7
151.11176	58.7
152.11523	1.3
152.58441	0.4
153.09093	1.0
153.12773	0.7
157.10141	1.3
159.11667	1.3
161.13237	1.7
163.03899	3.0
163.11176	1.5
163.14799	1.5
165.05437	1.5
165.12695	1.8
167.10677	0.7
169.12236	11.3
171.11716	0.7
173.13257	0.4
175.11195	0.5
175.14824	1.0
177.05408	0.5
177.16403	2.3
179.10658	11.4
179.14157	0.4
180.11002	0.4
181.12260	0.7
185.13229	0.6
187.14798	0.5
189.16397	1.5
191.14326	0.6
191.18008	0.4
193.12167	1.0
195.13777	0.4
197.11697	2.0
201.16357	0.5
203.17963	2.9
211.40193	0.4
215.12776	15.2
221.15388	0.7
221.18988	0.5
239.17935	0.5
259.09625	1.0
261.18701	0.4
277.21552	2.2
291.08456	0.4
293.24954	0.5
299.23544	0.7
305.24817	0.8
309.09650	1.2
317.24744	8.0
335.25787	100.0
336.26169	3.7
353.26791	3.7
371.27823	1.3
425.26648	0.4
472.33627	0.4
682.38867	2.3
683.32458	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	2.2
55.01887	2.3
55.05511	19.8
57.03448	3.4
57.07072	36.2
67.05497	8.2
69.03432	4.9
69.07069	46.3
71.04996	2.1
71.08629	36.3
71.24839	1.7
79.05487	3.5
81.03425	2.2
81.07057	23.7
83.04984	4.2
83.08617	41.4
85.02906	24.4
85.06551	4.6
85.10180	25.1
86.98595	1.7
91.05475	4.5
93.07045	9.5
95.08600	26.3
97.02891	8.4
97.06545	7.8
97.10163	26.5
99.11735	4.7
101.06027	2.9
105.07018	12.4
107.08584	15.2
109.02873	4.1
109.06512	2.9
109.10172	18.0
111.08098	4.2
111.11713	17.6
113.13293	3.2
115.07583	10.5
119.08588	11.2
121.10151	10.6
123.08096	5.1
123.11714	9.5
125.09663	4.3
125.13248	13.3
127.03931	6.8
127.07600	3.1
127.14828	1.7
129.09135	6.5
133.10167	11.5
133.11000	1.8
135.11729	7.6
137.09631	7.4
137.13268	7.8
139.11194	3.4
139.14795	4.8
141.09097	5.4
141.16420	2.1
143.10672	6.3
145.04961	7.6
147.11661	14.5
149.13318	4.7
151.11194	7.5
151.14816	2.2
153.12828	2.8
153.16426	3.7
155.10666	8.5
155.17944	2.1
159.11723	1.9
161.13268	13.9
163.06041	3.6
163.14796	2.5
165.08977	1.7
165.12762	11.5
167.14386	2.9
167.17937	2.1
169.12231	12.4
171.13762	3.4
175.14842	7.4
179.14305	17.8
181.15923	2.0
183.13799	26.3
185.15392	4.8
189.16417	2.5
193.15932	5.7
197.15353	28.3
199.16872	3.0
203.18024	2.6
207.17422	3.6
209.22626	2.0
211.16930	12.3
213.11671	1.6
213.18507	3.9
217.19621	2.4
225.18521	7.2
226.35771	1.6
227.20103	3.8
231.21049	2.4
235.20660	2.1
238.85588	1.7
239.20052	8.1
241.21623	4.1
249.22034	2.4
253.21565	8.4
263.27396	4.4
267.23221	10.7
287.27322	5.4
305.28345	17.6
323.29437	100.0
324.29727	4.7
341.30637	3.0
371.15857	4.8
372.16183	3.2
420.10007	2.1
472.12292	1.7
682.35931	10.6
713.62427	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	685.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03429	0.8
57.32787	0.8
60.20649	0.8
73.04760	1.9
91.05810	1.9
114.18298	0.8
128.07100	0.8
203.02621	0.8
277.07315	1.8
289.07343	1.1
291.08789	31.4
309.09924	1.8
351.19470	2.2
357.20178	6.2
359.03040	1.0
373.17477	100.0
374.18005	3.1
391.17493	4.5
445.18826	1.4
460.03833	0.9
471.20065	1.2
485.21909	3.5
527.26599	1.5
545.27594	3.6
554.79822	0.9
567.29706	3.2
571.29126	3.5
585.30823	10.2
635.32477	0.9
667.38556	9.3
685.39612	99.9
686.40082	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	686.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01852	1.0
57.03424	4.0
67.05476	1.1
69.03411	2.7
70.33530	2.2
70.33871	1.1
71.04993	20.7
73.02912	1.3
73.68787	0.9
74.55151	0.9
78.97302	0.8
79.05481	1.5
81.03399	1.5
81.07079	1.7
83.05007	2.1
85.02403	1.6
85.02902	30.5
87.04475	2.2
91.05458	7.8
93.07037	1.3
94.04233	0.8
95.04951	3.6
97.02879	3.8
99.04436	2.2
103.05463	2.9
105.07034	3.1
107.04948	1.5
107.08543	1.1
109.02901	1.0
109.06535	1.3
115.03970	1.1
115.05462	1.5
119.04943	8.1
119.08542	1.3
121.06489	3.5
122.03638	2.5
123.08058	1.2
127.03900	1.8
129.05490	7.3
129.06989	5.3
131.04919	9.2
133.05000	1.9
133.06435	1.8
133.10106	1.5
135.08063	2.8
136.05171	1.0
137.05969	59.9
143.04884	1.1
145.04982	1.4
145.06496	2.2
147.04399	2.4
147.06525	4.2
147.08072	1.6
149.05988	6.8
151.03848	2.5
151.07538	54.8
157.06477	5.7
161.05992	9.0
161.09616	2.1
163.03918	5.2
163.07541	24.5
164.09187	2.6
164.10585	1.2
165.05577	1.4
165.06902	1.8
165.09126	3.0
167.08473	5.8
171.08075	1.4
174.06784	3.0
174.62466	0.9
175.07536	12.1
175.14827	3.2
176.15158	2.1
177.05507	2.7
177.09109	25.4
178.09415	0.9
179.08504	1.7
187.07513	1.4
189.09099	19.5
191.07043	1.7
193.06470	1.6
193.10083	2.7
195.08067	11.3
195.10153	3.7
201.09076	1.7
203.10622	1.0
207.08104	1.4
207.10069	2.6
208.13374	4.6
209.08006	1.1
210.06766	2.3
211.07645	1.3
211.35799	0.9
212.08344	1.3
217.08473	1.0
219.10077	2.5
221.05942	3.6
221.09567	4.7
221.11737	7.1
223.07487	6.8
224.08273	2.2
225.09021	4.4
227.10660	20.2
237.09096	1.8
238.06258	1.7
241.08473	1.4
241.12292	1.9
249.09058	4.7
249.11143	1.6
253.08577	8.2
253.12157	7.8
255.10181	16.5
265.08640	2.0
267.10251	3.5
267.15454	1.0
269.08057	2.0
269.11682	1.3
281.11749	3.4
284.10446	1.3
285.11212	11.9
287.12762	28.6
293.11542	1.8
295.10114	1.1
297.11270	1.8
299.12766	1.8
309.11377	1.3
311.12717	3.6
313.14349	16.4
321.11093	1.4
323.12817	1.3
331.15381	100.0
332.15585	2.5
343.15390	13.1
355.15375	3.2
367.15540	7.0
385.16476	5.9
397.16522	2.0
423.18027	4.0
441.19174	2.8
459.20001	1.5
477.21115	3.6
686.20825	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39404	0.1
53.03963	0.1
55.05505	0.2
57.03431	0.1
57.07085	0.1
57.54864	0.1
67.01872	0.4
67.05503	0.9
68.05811	0.1
68.99816	0.3
69.03440	0.1
69.07045	0.1
69.23270	0.1
69.42905	0.3
70.28833	0.1
71.08588	0.1
72.92844	0.1
76.26909	0.1
79.05500	0.2
81.03416	0.3
81.07056	0.4
82.32847	0.1
85.02919	0.1
86.09679	0.2
89.03916	0.2
93.07050	0.3
95.08617	0.3
97.02876	0.1
105.07016	0.1
107.08590	0.1
109.10152	0.6
110.10509	0.2
111.96417	0.1
117.03386	0.2
119.08588	0.1
121.10135	0.1
124.99972	0.1
127.03899	0.2
135.04408	1.3
137.02339	0.5
145.05069	0.1
153.01826	4.3
154.02101	0.1
154.65753	0.1
161.02338	0.6
171.02870	0.7
173.11801	0.1
179.03400	0.3
184.07306	0.4
185.05865	0.1
203.03517	0.1
217.24152	0.1
218.05841	0.1
219.06549	0.1
227.03508	0.1
229.14313	0.5
230.14709	0.2
239.23727	0.1
241.04922	0.6
245.04341	0.2
263.05472	0.1
269.04453	0.4
287.05490	100.0
288.05820	3.6
307.10916	0.1
335.25894	0.3
336.26102	0.3
383.27820	0.3
427.54120	0.1
489.35883	0.2
490.36066	0.3
687.32971	0.9
687.42896	0.1
688.33954	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	687.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	0.7
69.57867	0.7
80.40094	0.6
81.07078	0.9
98.67631	0.6
103.12276	0.6
109.07038	0.6
165.09062	1.3
180.17607	0.8
217.08366	0.7
217.96629	0.7
245.06395	1.4
275.07446	1.0
300.87085	0.7
305.08383	4.6
320.16162	1.0
330.60614	0.7
347.09433	1.2
355.18643	3.6
365.10574	21.0
433.13055	0.9
525.34094	1.3
687.39264	100.0
688.39728	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	687.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01865	1.1
55.05506	11.7
57.03437	1.4
57.07075	8.9
59.04994	1.8
61.02925	1.1
65.03931	1.6
67.05499	24.3
69.03419	3.9
69.07063	33.7
70.72631	1.3
71.04987	13.2
71.08624	4.4
73.02922	1.0
73.06520	1.2
79.05481	11.8
81.03436	2.6
81.07051	94.9
82.07394	2.2
83.05008	0.9
83.08613	19.3
85.02897	13.4
85.06537	8.1
89.03916	4.1
91.05493	4.2
93.07037	20.5
95.04961	2.8
95.08598	100.0
96.08973	1.9
97.02891	3.5
97.06538	2.5
97.10160	10.8
99.04458	1.3
99.08080	8.1
103.05493	1.6
105.07012	6.8
105.64693	0.9
107.04980	3.0
107.08588	26.8
109.02888	2.9
109.06576	1.3
109.10149	67.7
110.10464	1.0
111.08083	4.1
111.11719	7.4
113.09641	2.4
117.03371	3.3
117.07014	1.8
119.08584	5.3
121.06505	1.0
121.10130	18.3
123.08106	1.0
123.11698	66.0
124.03931	1.6
124.12051	2.0
125.09619	2.2
125.13256	5.2
127.03896	5.0
127.11187	18.0
131.04944	3.8
133.10109	4.9
135.04399	8.0
135.11684	19.2
137.05981	8.9
137.09601	1.7
137.13239	26.3
139.11208	2.2
141.12750	4.4
145.02881	5.5
145.04967	2.6
147.04350	1.3
147.11697	4.9
149.13248	29.5
151.03986	2.0
151.07599	1.1
151.11194	1.8
151.14795	18.4
153.12735	15.0
155.14308	2.4
161.13271	4.5
163.03897	56.6
163.07558	4.0
163.11185	1.3
163.14787	16.1
164.04222	8.6
165.04341	1.5
165.05571	1.2
165.09157	2.0
165.16425	3.3
166.08661	1.4
167.07027	11.4
167.14319	7.5
169.12196	5.0
169.15927	1.4
171.13850	3.9
173.06004	1.4
175.07492	1.1
175.14838	2.8
177.09079	1.4
177.16362	7.0
179.03419	1.4
179.17984	1.4
181.04996	4.3
181.15891	3.7
189.16379	3.9
191.17877	5.2
193.19481	2.0
197.08064	1.4
197.19020	1.2
203.17967	5.2
205.19534	6.2
207.20987	1.3
211.20430	1.1
217.19542	7.5
219.21138	2.1
221.19135	1.9
223.20656	1.0
235.20573	5.2
237.22189	1.3
247.24260	1.9
253.21608	1.8
261.25784	5.2
265.25317	1.3
273.25742	21.1
274.26089	1.3
279.26816	24.7
291.26791	67.5
292.27216	3.2
297.27881	2.9
309.27823	54.6
310.28229	2.2
325.09207	2.2
327.15823	1.3
327.28912	7.9
345.30038	9.0
363.08853	1.2
399.28848	1.4
491.19229	4.8
583.37781	0.9
613.22375	1.4
687.25043	3.2
687.36127	9.3
688.36206	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.05508	11.6
57.03437	1.7
57.07077	7.6
59.05011	0.9
61.02916	1.0
61.24556	0.7
65.03951	1.0
67.05159	1.3
67.05504	22.9
69.03413	4.9
69.07066	32.8
70.06595	1.2
71.04984	11.0
71.08633	3.5
73.02948	0.7
73.06563	1.4
79.05492	10.1
81.03418	2.8
81.07056	100.0
82.07396	1.0
83.08125	1.1
83.08620	18.7
85.02908	12.7
85.06547	6.4
85.10170	1.1
89.03905	3.4
91.05452	5.6
93.07046	21.5
94.07343	0.7
95.04977	3.7
95.08605	98.4
96.08921	2.0
97.02901	4.3
97.06530	3.1
97.10173	10.7
99.04429	1.2
99.08096	6.4
103.05468	1.3
105.04533	1.0
105.07014	6.4
107.04968	2.6
107.08593	26.8
109.02875	2.5
109.06503	0.7
109.10155	65.3
110.10496	1.3
111.04508	0.9
111.08079	4.1
111.11718	8.1
113.09640	3.1
115.05439	1.2
117.03378	3.2
117.07017	2.0
119.08583	5.0
121.06515	1.8
121.10138	20.3
123.11705	72.7
124.12037	2.0
125.09647	2.3
125.13253	3.9
127.03915	4.5
127.11189	19.1
131.04895	3.4
131.08537	1.0
133.06540	1.0
133.10118	4.9
135.04422	8.7
135.08095	1.1
135.11694	17.0
136.04735	0.9
137.05992	8.2
137.12245	1.4
137.13254	26.4
139.11143	2.6
141.12732	5.5
143.10631	1.1
145.02872	5.7
145.04924	2.5
145.06425	1.1
145.10083	1.0
147.04346	0.9
147.11696	5.0
149.09520	0.8
149.13252	28.7
151.03871	2.1
151.07509	2.8
151.11217	3.8
151.14818	18.6
153.12746	15.2
155.14278	2.6
161.05969	1.8
161.13235	5.0
163.03902	64.9
163.07542	3.7
163.14818	13.8
164.04230	11.0
165.04361	2.9
165.05573	1.6
165.09105	1.1
165.12770	1.0
165.16364	3.1
166.08591	1.2
167.07033	8.2
167.14310	7.1
169.12221	6.2
169.15842	2.0
171.13770	4.3
173.05972	2.1
175.07549	0.9
175.14771	2.9
177.09091	1.3
177.16383	8.4
179.17854	2.1
181.04999	5.5
181.15822	2.6
182.05521	0.8
187.07454	1.0
187.13246	1.0
189.16318	3.9
191.17938	5.8
193.19443	2.5
197.08112	1.8
197.19012	1.7
199.04187	0.7
202.65694	0.9
203.17941	5.4
205.19518	7.3
217.19518	7.2
219.21022	2.0
221.18892	2.1
223.20555	1.1
231.21057	1.0
235.09567	0.9
235.20569	4.6
237.22160	1.0
247.24197	1.7
249.11078	2.1
253.21509	2.2
261.25836	4.9
263.27176	1.0
265.25180	1.0
273.22864	1.3
273.25748	24.4
274.26135	0.8
279.26819	24.1
283.09445	1.2
291.26807	71.8
292.27097	2.8
297.27786	2.2
307.07886	0.8
308.26563	0.8
309.27872	55.7
310.28003	1.8
325.09140	2.4
327.15643	1.2
327.28918	6.1
345.30048	10.3
363.30801	1.4
390.26886	0.8
435.30423	0.8
453.32455	1.1
491.18637	3.0
687.24945	2.8
687.36444	6.7
688.36053	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.05511	5.2
57.03447	1.8
57.07076	2.9
59.05005	0.6
61.02933	0.9
65.03960	0.7
67.05508	8.0
69.03433	8.2
69.07070	4.4
71.04990	0.9
71.08646	0.6
73.02921	1.6
79.05493	5.3
81.03424	4.3
81.07059	17.6
82.07401	0.7
83.04975	0.7
83.08616	7.1
85.02907	15.2
87.04473	2.7
89.03927	2.3
91.05458	3.5
93.07047	4.2
95.04968	2.6
95.08610	21.1
95.13016	0.5
97.02896	8.6
97.06483	1.1
97.10169	6.9
99.04427	0.8
99.08020	0.6
105.07013	3.9
107.04958	3.0
107.08622	2.0
109.02901	1.6
109.06530	1.1
109.10155	29.2
115.03931	4.3
115.11249	1.3
117.03382	3.7
119.08593	2.4
121.06499	0.9
121.10154	3.5
123.04442	1.3
123.08052	0.6
123.11707	30.0
125.09647	0.8
127.03899	3.7
129.06966	1.2
131.04962	0.7
131.08574	0.9
133.04991	2.4
133.10138	2.6
135.04424	9.7
135.08035	0.7
135.11679	1.1
137.05994	1.4
137.09651	1.1
137.13252	10.7
139.03877	0.8
139.14819	0.8
145.01804	1.0
145.02863	7.3
145.04977	6.1
145.06479	1.0
145.10123	0.7
147.11678	1.8
149.05980	1.4
149.09604	1.0
151.03929	0.7
151.14798	0.6
157.10112	1.3
159.04404	1.4
159.11681	0.9
161.02322	1.4
163.03906	100.0
163.06084	2.6
164.04207	2.8
165.05463	2.0
165.09109	3.3
167.07048	1.5
173.02399	1.9
175.11212	0.8
176.11876	0.9
177.05408	1.0
177.16376	1.4
179.17944	25.3
181.04958	89.0
182.05321	1.3
185.06021	0.9
187.03929	1.9
193.12317	1.2
197.19017	24.5
198.19383	0.7
199.04001	1.3
201.05533	1.1
209.08096	1.1
213.05466	3.0
225.05363	0.8
245.25114	0.5
267.13770	1.5
287.05536	0.9
311.12961	0.8
325.09149	1.8
337.14267	2.6
338.14615	1.8
351.21289	1.7
355.15399	16.3
356.15768	3.7
359.24551	0.8
373.16449	5.5
374.16806	0.7
377.23456	3.0
473.32117	1.1
519.51141	0.7
535.21844	0.9
688.35992	3.9
689.36627	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01870	1.6
55.05510	5.3
57.03429	3.1
57.07067	2.7
61.02921	2.1
65.03975	0.5
67.05498	7.6
69.03430	9.2
69.07070	4.5
71.01357	0.8
71.04987	1.0
72.34349	0.6
73.02914	8.7
79.05487	4.2
81.03403	2.8
81.07063	17.0
82.07380	0.8
83.04984	1.2
83.08615	6.3
85.02409	1.2
85.02905	18.6
87.04478	0.9
89.03913	2.6
90.63217	0.5
91.03906	0.6
91.05480	2.5
93.07043	3.0
95.04960	1.4
95.08605	19.8
97.02899	12.0
97.06532	0.9
97.10176	8.5
99.04445	1.2
99.08120	0.9
102.88483	0.5
103.03924	0.8
105.07026	2.3
107.04953	1.6
107.08561	2.6
109.02856	2.8
109.06574	0.8
109.10157	27.8
110.10442	0.7
115.03931	4.3
115.05423	0.5
115.11208	1.3
117.03371	4.0
117.07048	0.7
119.08564	2.0
121.10163	2.4
123.08094	0.8
123.11709	34.7
127.03910	5.3
129.07039	0.8
133.02885	0.7
133.04962	4.1
133.10109	1.9
135.03484	0.7
135.04430	9.4
135.08020	0.6
135.11736	0.6
137.05942	0.6
137.09601	1.6
137.13251	10.9
139.03873	0.9
139.14839	0.8
145.02852	7.6
145.04951	6.5
145.10162	0.8
147.04390	0.7
147.11676	1.3
149.05974	0.7
157.10162	0.7
159.11714	0.9
161.05994	1.0
163.03902	100.0
163.06090	2.6
164.04260	1.8
165.05463	0.6
165.09113	8.8
173.02332	1.1
173.08046	0.6
175.11176	1.0
176.11940	1.2
177.16499	0.8
179.17944	26.3
180.18372	0.7
181.04953	65.1
182.05255	1.3
187.03935	1.3
193.04883	0.7
197.19014	37.4
198.19450	0.8
199.03908	1.1
209.92000	0.5
213.05469	2.0
223.06017	1.5
239.06863	0.7
241.07121	1.0
259.08154	1.4
287.05792	0.6
295.08020	1.6
309.15015	0.5
325.09186	0.9
337.14401	4.0
338.14734	0.8
339.50488	0.6
355.15378	9.6
355.19540	0.8
356.15637	1.9
359.21817	3.5
373.16489	3.0
377.23328	1.2
455.31656	1.0
473.32452	0.7
480.13605	0.7
491.33334	0.9
535.22021	1.0
650.90735	0.7
688.35565	2.0
689.36456	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88498	0.5
53.03952	1.1
55.01866	1.6
55.05507	5.8
57.03434	13.3
57.07077	5.2
59.05006	3.3
60.04515	1.9
61.02925	5.4
66.08717	0.5
66.14082	0.4
67.05505	9.1
69.03429	54.4
69.07063	5.9
69.77724	1.6
71.01352	1.2
71.04998	1.3
71.08597	0.5
73.02917	4.3
75.04475	1.2
79.05489	1.7
81.03423	6.0
81.07056	22.7
83.04978	1.5
83.08617	8.3
85.02905	100.0
85.10174	0.8
86.03209	0.7
87.04465	30.4
91.03956	2.8
91.05445	0.7
93.07039	0.7
95.04963	0.8
95.08606	30.5
96.08942	0.5
97.02892	58.5
97.10165	10.0
99.04445	5.0
99.08084	1.2
99.11737	0.5
101.02413	1.2
103.03956	1.8
103.90849	0.5
107.04948	1.0
107.08592	1.3
109.02876	7.5
109.10157	39.4
110.10507	0.6
111.04430	2.1
115.03930	58.1
115.11201	1.8
116.04281	0.6
117.05492	0.8
121.10142	1.2
123.04459	1.4
123.11706	43.8
125.02326	0.5
127.03913	22.8
133.04964	49.7
135.04425	1.2
137.13246	15.0
139.03854	0.8
139.14767	0.7
145.04958	46.2
146.05304	0.6
150.07597	6.0
151.03909	1.3
157.05017	0.6
163.03973	7.2
163.06013	30.8
165.05551	0.7
167.07021	4.3
169.04984	2.7
175.06039	0.8
177.16388	1.8
179.17946	46.1
180.18291	1.0
181.05080	0.6
187.05939	0.8
195.17413	3.2
197.19003	66.5
198.19298	0.9
199.06099	0.6
205.06978	0.8
213.18552	0.5
223.06020	1.2
229.07068	0.6
241.07086	2.7
259.08127	6.3
275.20004	0.6
277.09204	3.1
289.09119	0.7
292.03897	0.5
293.20956	1.2
295.10236	11.9
311.22015	1.5
323.22031	1.1
325.11404	8.9
329.23175	6.2
341.23123	0.8
359.24274	25.2
360.24603	0.9
377.25311	15.9
489.84912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01862	1.9
55.05510	6.0
57.03434	13.1
57.07070	4.5
59.04991	2.5
59.23177	0.5
60.04530	0.9
61.02935	4.7
65.03967	0.6
67.05504	5.6
69.03429	52.8
69.07072	5.6
69.17397	2.4
69.17799	1.3
71.01363	0.7
71.04996	2.2
73.02915	4.7
73.49136	0.5
79.05495	1.2
81.03412	5.0
81.07058	19.6
83.04974	1.0
83.08173	0.9
83.08624	8.1
85.02904	100.0
85.10165	0.8
87.04468	30.6
91.03956	2.9
91.47488	0.6
93.07063	1.1
95.08602	29.4
96.08943	0.7
96.41710	0.5
97.02890	53.1
97.10166	9.5
99.04446	4.6
99.08098	1.2
103.03946	2.1
107.08592	1.1
109.02881	8.5
109.10156	39.6
111.04458	1.3
111.11726	0.9
115.03929	54.6
115.11207	1.7
117.05484	0.8
119.08577	0.6
121.10125	1.6
123.04443	1.4
123.11705	45.8
126.59628	0.6
127.03198	0.4
127.03912	21.2
133.04962	48.8
137.13248	17.4
138.61099	0.5
139.03889	1.4
139.11160	0.8
139.14836	1.3
145.04958	47.8
146.05324	0.6
150.07634	2.6
157.04918	1.0
163.06015	35.3
169.04974	1.4
175.06059	0.8
177.16364	3.3
179.17941	48.9
180.18330	0.9
181.04953	0.9
187.06152	0.6
195.17429	2.7
197.19002	65.4
198.19420	0.9
208.54324	0.6
211.06018	1.1
223.06128	1.4
229.06931	0.8
241.07060	4.2
259.08160	6.3
275.19901	1.0
277.09109	3.9
293.21222	0.8
295.10242	13.0
311.22165	1.7
323.22116	1.0
325.11215	7.0
329.23276	7.5
339.15472	0.7
341.23541	0.9
359.24268	28.1
360.24731	1.2
377.25339	14.7
378.26099	0.8
497.58585	0.7
548.99548	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	3.0
67.05506	1.6
71.08626	2.0
81.07070	1.9
86.09703	1.8
89.06035	2.3
107.49542	1.6
112.34837	2.0
120.76953	1.6
133.08728	2.9
184.07343	4.9
191.85332	1.6
260.34518	1.9
354.14807	2.5
355.14981	2.0
383.11923	2.6
384.12509	2.9
385.13254	5.4
397.13089	2.2
398.13614	5.7
399.14499	13.4
400.15439	19.8
401.15930	2.1
412.15210	6.4
413.16043	17.7
414.16867	8.9
416.14688	2.1
426.17026	2.9
427.18423	11.6
428.18597	17.9
429.19315	12.4
441.15393	5.5
442.16446	10.5
455.17072	30.5
456.17807	19.4
457.18353	1.9
458.15604	3.4
459.15714	2.0
460.16675	1.7
469.15289	2.8
481.15271	2.4
483.16693	23.8
484.16431	8.2
495.17557	2.3
499.16238	5.3
500.15988	2.0
523.16077	3.0
527.15649	23.3
528.16064	12.4
539.19165	12.3
541.20972	1.9
543.22437	16.7
555.18652	3.0
571.21875	100.0
572.22357	11.0
574.24139	7.2
601.22827	6.8
602.23688	35.8
603.23615	4.5
615.20142	5.4
617.25287	2.2
629.22382	27.2
630.22687	49.3
631.22247	4.2
643.23730	3.7
657.21887	57.7
658.21808	7.8
661.24646	6.3
689.24335	24.0
689.39435	6.0
690.24091	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	690.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74817	0.7
55.05499	2.2
56.95867	0.7
57.03428	0.8
67.05489	2.7
69.15144	0.6
69.67580	0.7
70.03214	2.2
79.05488	2.4
81.03419	2.6
81.07062	4.5
83.04958	1.0
83.08588	1.5
83.39487	0.7
85.02885	1.4
85.06561	1.2
86.41076	0.8
91.05476	2.7
93.07052	4.1
95.04965	2.9
95.08605	4.8
97.02849	0.8
103.05460	1.8
105.07015	1.2
107.04984	1.1
107.08563	2.5
109.10152	1.9
119.08557	1.7
121.06502	4.7
121.10120	2.0
123.11684	0.9
131.08568	1.6
133.10098	1.3
135.11693	2.0
139.07564	0.9
143.07251	1.8
145.10118	1.6
147.11693	1.3
149.05844	0.9
154.06654	0.7
163.03850	1.1
163.11148	3.1
168.08089	1.1
169.07611	100.0
170.07956	2.1
176.72684	0.8
182.08380	2.2
184.07539	1.1
185.10739	0.8
193.12282	1.1
195.09206	0.9
211.13254	1.8
220.07607	1.1
221.08447	0.8
227.12701	1.8
235.08649	0.9
237.10135	2.1
247.08774	1.6
247.12477	1.0
248.07150	1.8
263.08240	1.8
265.06915	1.5
265.09723	23.4
267.15903	1.2
271.06036	1.0
283.15329	3.8
285.17212	1.6
317.12949	1.8
326.65842	0.7
335.13876	64.0
336.14270	1.9
363.13370	54.1
364.13608	2.7
377.42245	0.8
406.45065	0.8
428.48578	0.8
457.33014	1.6
475.27136	1.0
475.34045	2.3
493.27850	5.6
497.19125	2.4
525.18628	6.7
638.08478	0.8
690.37842	2.3
691.25818	1.6
691.37592	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.3
51.02384	0.5
53.03949	0.9
55.05508	2.8
57.03436	0.6
57.07072	0.9
59.05008	0.7
60.07051	0.3
62.78162	0.2
67.05502	6.1
69.03432	1.4
69.07069	1.7
70.30697	0.3
71.04996	2.9
76.61111	0.3
77.03911	0.4
79.05489	2.4
80.23350	0.3
81.03416	2.5
81.07056	32.8
82.07369	0.3
83.04972	0.4
83.08601	0.9
85.02899	3.4
85.06532	1.7
86.09689	0.3
89.03928	0.3
89.06036	0.7
90.44985	0.3
91.05492	1.3
93.07047	4.0
95.04984	2.8
95.08607	6.2
97.02892	1.5
97.06542	0.3
97.10169	3.4
99.04447	1.1
99.08096	0.6
103.05467	30.6
104.05785	0.5
105.04506	0.3
105.07042	1.2
107.04945	0.3
107.08589	1.6
109.02878	3.4
109.06487	1.4
109.10159	1.5
111.08102	0.7
115.05456	0.3
119.04961	0.5
121.06499	0.5
121.10137	1.2
123.08106	0.6
123.11707	24.9
127.03908	3.6
131.04926	100.0
132.05238	1.9
133.06516	0.3
133.10112	1.5
137.05978	3.5
138.06323	0.5
141.12750	1.1
145.52263	0.3
147.04413	0.4
151.03867	0.5
151.07520	1.1
151.11185	4.6
161.05910	0.3
163.03909	2.3
163.07539	54.6
164.07889	1.0
165.05513	0.6
167.07072	0.3
169.12242	11.5
175.07578	0.5
179.07059	0.4
187.13292	6.9
222.06657	0.3
223.07304	0.3
229.14305	0.7
237.09213	0.4
238.09253	0.4
241.08400	0.3
245.01750	0.3
249.14882	0.5
265.08487	0.7
266.08963	0.8
277.14267	1.2
278.08945	0.6
287.05444	0.9
295.15417	3.5
297.11334	1.3
298.11511	1.0
313.16388	2.2
331.17484	10.6
332.17694	0.3
361.02365	0.4
406.62494	0.3
600.88068	0.3
690.38379	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.37
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01863	5.8
55.05510	14.6
57.03442	8.7
57.07073	1.0
59.04994	2.6
61.02933	4.3
65.03944	1.0
67.05505	16.9
69.03413	3.9
69.07076	4.6
69.24902	1.8
69.25294	3.9
71.05000	3.6
73.02911	1.1
75.11466	0.7
79.05495	20.3
80.75874	0.8
81.03419	40.5
81.07059	22.2
83.01333	4.3
83.04984	13.1
83.08620	17.3
85.02911	15.1
85.06538	1.5
91.03978	1.2
91.05478	20.7
93.07043	22.4
94.07390	1.0
95.04976	17.3
95.08618	9.3
97.02892	4.0
97.06516	5.2
97.10182	2.7
99.04467	2.0
105.04500	1.1
105.07026	16.1
107.04951	8.0
107.08585	12.0
109.06538	6.8
109.10167	3.2
110.91634	0.9
111.04427	2.0
111.08086	6.2
113.06022	0.9
117.07011	4.6
119.08582	14.4
120.77698	0.7
121.06497	2.3
121.10150	8.7
123.04427	0.9
123.08072	6.3
123.11659	1.7
125.09631	1.9
129.07007	6.7
131.08580	8.6
133.06516	1.9
133.10126	6.9
135.08075	1.7
135.11696	7.3
137.09615	2.7
139.07529	0.8
142.07841	1.0
145.10127	10.3
147.08051	2.3
147.11679	9.0
149.09596	5.1
153.01851	1.6
153.05475	0.7
153.12756	1.5
155.08604	1.6
157.10143	8.7
163.03952	1.7
163.11180	14.8
165.12753	1.9
173.09625	2.5
175.11171	7.7
181.12248	1.3
191.10655	2.1
193.12245	22.5
193.13954	1.1
194.12650	0.9
199.06638	0.7
209.11681	4.2
211.13289	43.2
227.12840	2.6
247.71802	0.8
249.14876	1.3
255.09029	1.5
267.15933	10.3
271.05948	4.5
273.10196	0.9
283.15390	54.3
284.15768	2.2
285.16959	34.0
286.17377	1.4
298.46027	1.0
365.16388	1.0
370.25891	0.8
383.22122	2.0
401.22983	1.0
457.25790	4.2
457.32883	2.6
475.26938	14.4
475.34024	3.2
476.26825	0.9
493.27963	100.0
494.28384	6.8
690.36078	3.1
691.38287	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	691.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
61.11231	0.7
66.28549	0.7
67.05505	1.2
70.51823	0.6
73.57681	0.8
76.01914	0.7
81.07063	1.5
91.05472	0.8
93.07033	0.7
95.08598	1.8
97.06541	1.1
103.51717	0.6
108.15466	0.7
147.28728	0.8
153.01828	1.9
163.03934	0.8
198.76103	0.7
229.07614	0.8
271.06009	5.2
318.63406	0.9
381.19391	1.3
400.16241	0.7
428.14661	1.1
430.16626	1.2
443.17191	1.7
455.13638	0.9
457.19299	3.4
471.12918	1.0
475.34198	1.2
483.12457	3.5
484.13593	9.4
485.14417	2.4
497.13617	4.2
498.15082	5.7
499.15750	3.7
511.16266	2.8
512.16748	5.8
513.17645	19.9
514.18298	5.0
515.18042	0.9
523.16071	7.8
524.16479	0.9
525.17755	1.8
526.18567	1.7
527.19318	7.3
529.35248	1.6
545.23651	1.5
555.18597	4.3
556.20197	0.9
569.20728	0.9
573.22791	0.9
599.21130	1.5
600.22211	2.3
601.22852	5.1
614.23578	1.6
659.23608	1.4
660.24042	3.2
673.25537	1.1
691.26050	100.0
692.26007	8.2
692.36603	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03402	0.1
58.20982	0.1
67.01555	0.1
67.01840	0.4
67.05499	0.1
68.99795	0.3
69.03430	0.1
69.89430	0.1
69.89754	0.2
71.00639	0.1
76.19495	0.1
79.05462	0.1
81.07049	0.1
81.52645	0.1
91.05475	0.5
93.07060	0.2
95.08611	0.1
96.35543	0.1
97.02876	0.2
102.47366	0.1
105.07022	0.2
119.04937	1.3
119.08595	0.1
121.02841	0.4
129.01752	0.1
129.07062	0.1
131.08600	0.1
133.10135	0.1
134.74905	0.1
145.02824	0.7
145.10124	0.1
147.11613	0.1
153.01816	3.9
157.06500	0.1
157.10158	0.1
163.03928	0.4
171.02870	0.5
176.92299	0.1
184.07327	0.1
187.03917	0.1
194.93446	0.1
197.05913	0.1
203.06979	0.1
210.51108	0.1
225.05498	0.3
229.04939	0.3
243.06487	0.3
247.06027	0.2
270.05130	0.1
271.05981	100.0
272.06326	3.3
283.06012	0.2
294.02713	0.1
301.21417	0.1
320.96695	0.2
327.15341	0.1
350.04694	0.1
356.94025	0.1
366.98346	0.1
403.24625	0.1
511.12991	0.1
630.59546	0.1
691.31476	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30403	1.0
56.96561	27.7
69.07045	1.4
73.51000	1.1
79.05491	1.9
81.03411	2.4
81.07072	1.3
93.47141	1.1
95.08605	2.5
97.06519	4.2
103.00688	1.2
105.07009	1.2
107.04946	1.2
107.08584	1.3
109.10127	1.1
115.00694	3.7
119.04906	1.1
123.01157	1.4
123.08034	1.1
129.02255	1.4
133.01767	1.4
139.04066	1.1
153.01822	14.8
155.03786	1.3
163.03889	3.1
171.03200	1.3
185.04904	2.3
195.06920	1.3
199.06389	10.6
203.05865	2.5
211.06438	3.3
213.08009	6.2
217.07457	9.7
223.10042	1.6
224.56294	1.1
225.08102	2.9
227.09575	3.7
229.07542	1.8
231.09137	2.8
237.08028	2.4
239.09456	1.1
243.09264	1.3
245.10486	1.5
251.09523	20.4
255.08998	12.2
259.09656	8.4
269.10593	100.0
270.10938	2.3
271.06009	36.5
272.06290	1.7
273.10101	6.0
277.11249	1.5
287.11618	27.3
292.12253	8.4
295.12051	5.2
355.09665	1.4
365.16376	88.7
366.16727	4.0
383.17377	57.1
384.17703	1.5
406.19083	11.3
453.13525	1.8
476.34549	1.2
497.18246	1.3
593.29376	1.4
659.22314	1.6
691.33899	12.7
692.32367	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.2
55.01880	4.0
55.05510	18.9
57.03437	18.4
58.24356	1.1
59.05013	1.3
61.02921	5.3
65.03954	1.7
67.05502	31.7
69.03436	4.9
69.07066	7.7
71.04993	6.1
73.02923	1.5
79.05492	34.5
81.03416	98.1
81.07053	36.5
83.04978	20.2
83.08622	33.4
84.08946	1.3
85.02903	37.9
85.06535	3.1
91.03976	1.5
91.05480	44.6
91.06057	2.1
92.05759	1.4
93.07040	24.6
95.04967	39.8
95.08607	13.1
97.02892	7.1
97.06527	6.0
97.10156	7.6
98.22671	1.6
99.08074	1.8
105.04582	1.1
105.06341	2.3
105.07027	33.0
105.07735	1.6
107.04960	9.6
107.08577	10.7
109.06502	7.7
109.10146	5.4
111.04424	4.2
111.08069	15.4
113.06030	4.1
115.05476	1.3
117.07019	1.8
119.08575	25.7
121.06496	3.7
121.10146	12.0
123.08080	4.2
123.11708	2.7
125.09658	1.9
127.03893	1.6
127.07613	1.3
128.06151	1.2
129.06993	15.7
130.89297	1.0
131.08563	16.3
133.06503	3.4
133.10118	18.1
137.09602	3.4
142.07811	5.8
145.10150	3.3
147.08054	5.7
147.11674	24.3
148.11951	1.1
149.09612	9.6
153.01814	12.8
157.10123	23.6
163.03889	1.5
163.11179	2.6
165.12759	5.1
175.11189	22.2
183.17303	1.1
193.12233	73.6
194.12585	1.4
211.13281	100.0
212.13666	2.0
249.14809	1.6
259.79376	1.1
267.15894	43.1
267.81216	1.2
285.16956	99.7
286.17361	2.5
298.10013	0.9
367.22375	2.6
385.23825	5.9
403.24869	2.2
424.20935	1.2
433.25790	1.5
441.26190	2.6
459.27429	29.8
459.33902	1.5
460.27637	1.9
477.28458	31.1
478.28656	1.3
495.16644	4.7
495.29498	86.6
496.16849	1.5
496.29529	5.9
526.11951	1.2
561.52563	1.1
692.38873	4.0
693.26587	3.6
693.38812	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	693.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
55.05497	0.9
61.67382	0.3
67.05492	0.4
69.90853	0.3
72.00943	0.3
73.03458	0.3
77.03951	0.3
79.05502	0.3
82.06562	0.4
89.03915	0.8
91.05456	0.7
93.07051	0.7
94.06542	1.0
95.07329	0.4
96.08105	1.3
97.06495	1.2
104.09273	0.3
105.07019	0.5
108.04459	0.7
108.08112	0.8
110.06039	1.3
110.09664	1.5
111.36658	0.3
116.04961	1.8
119.04919	0.5
120.08098	1.6
122.06024	3.6
124.07586	3.1
130.79338	0.3
134.05986	0.5
136.07588	3.2
137.05978	0.9
138.09138	1.7
144.04446	4.1
144.54695	0.3
146.05959	0.8
148.07515	1.1
149.05878	0.5
149.07068	0.7
150.05460	1.9
152.07079	2.3
158.09633	0.8
160.03925	0.4
160.07555	1.5
160.09999	0.4
162.05528	2.1
163.03908	2.8
164.07047	1.0
166.08636	2.2
170.09708	0.4
172.03925	20.4
172.11200	0.6
174.09183	0.6
175.08659	0.8
175.12270	0.8
176.07080	0.6
186.09138	5.5
187.08720	1.0
188.07092	0.5
188.09410	1.2
190.05022	3.4
196.07562	1.0
198.09210	0.8
200.07298	0.5
200.10738	1.9
201.10185	1.0
202.08769	0.6
202.10986	3.2
203.11812	6.2
204.06563	29.0
205.06892	1.0
212.10805	0.6
213.10291	1.9
214.08627	11.6
215.08141	5.4
216.08784	0.6
217.09697	1.0
225.10225	0.5
227.11723	0.9
228.10185	4.0
229.09717	2.0
230.10405	1.4
231.11287	6.7
240.08939	0.4
241.09746	2.2
242.07990	1.9
245.09128	0.9
245.12801	1.0
247.10760	1.1
251.11806	0.5
255.11263	5.6
256.09686	2.7
257.09271	0.5
257.12839	1.6
258.09875	0.5
259.10776	82.1
260.11176	2.8
271.09836	1.1
273.12320	5.6
283.10776	3.4
297.12329	0.8
301.11813	62.6
302.12173	3.1
307.10556	0.4
317.11563	0.5
319.12872	100.0
320.13184	4.4
325.11914	4.5
335.12445	0.9
337.13919	29.0
338.14331	1.2
343.12909	0.7
357.14554	3.4
358.15085	0.5
371.12350	0.5
375.13232	0.4
399.07959	0.4
486.16467	0.8
492.17487	0.5
504.17236	0.8
510.18765	0.5
633.14514	0.5
643.23682	0.6
647.27399	0.5
657.24945	0.9
675.26563	7.9
693.22302	0.5
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
52.14003	0.3
55.01863	0.4
55.05506	0.5
66.33643	0.4
69.50956	1.4
79.05495	0.4
81.07013	0.4
89.03916	0.4
93.07047	0.7
94.06545	0.9
95.04946	0.6
96.08118	1.3
97.02869	0.5
97.06513	1.0
98.22629	0.4
103.05424	0.3
104.81851	0.3
106.06530	0.3
107.04939	0.5
108.04468	0.5
108.08097	1.3
109.06458	0.4
110.06017	1.3
110.09676	1.4
116.04939	1.0
120.08089	1.2
122.06036	2.8
124.07608	2.8
134.06032	0.4
135.04407	0.4
136.07581	2.6
137.05911	0.9
138.05453	0.4
138.09160	2.1
144.04468	2.8
146.05975	0.8
148.07523	0.8
149.07114	0.5
150.05486	1.2
151.03894	0.5
152.07079	2.2
158.09624	0.7
160.03949	0.8
160.07584	1.0
160.09943	0.5
162.05504	1.3
163.03918	1.4
164.07077	0.7
166.08646	2.8
166.24747	0.3
170.09648	0.6
172.03937	18.4
172.07564	0.8
172.76006	0.3
174.09186	0.4
175.08696	0.4
175.12292	0.4
179.07133	0.4
184.07614	0.4
186.09119	5.0
187.08652	1.2
188.07018	0.4
188.09415	0.9
189.10251	0.6
190.04977	2.9
194.07916	0.4
195.06311	0.4
196.07674	0.8
197.05975	0.4
197.08125	0.5
198.09331	0.7
200.10727	1.4
201.10251	0.9
202.08997	0.6
202.10999	3.0
203.11810	5.2
204.06560	25.8
205.06943	0.9
213.10213	1.9
214.08656	8.7
215.08153	4.1
217.09676	0.8
218.10300	0.4
224.06973	0.5
227.08037	0.6
227.11780	1.0
228.10214	3.5
229.09770	1.3
230.10539	1.3
231.11276	5.0
241.09688	2.4
242.08096	1.9
245.08937	0.6
245.12813	0.8
247.10660	1.7
255.11276	4.8
256.09677	3.4
257.09430	0.7
257.12845	1.3
259.10776	73.7
260.11133	2.1
265.09564	0.4
271.09735	0.8
273.12329	7.0
283.10751	3.6
287.13965	0.9
297.12192	0.8
301.11816	60.2
302.12289	2.3
315.13394	0.5
319.12872	100.0
320.13123	4.2
325.11780	5.5
337.13919	29.8
338.14151	1.8
343.12979	0.5
357.14484	3.9
358.14886	0.4
359.15924	0.4
413.15286	0.4
429.14090	0.3
486.16632	1.0
504.17236	0.7
510.18665	0.8
512.59967	0.4
657.24994	1.2
661.24701	0.5
675.26520	8.3
676.26917	0.5
693.22229	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02925	0.0
55.05504	0.1
55.78279	0.0
57.41122	0.0
63.66724	0.0
65.03943	0.1
67.01853	0.4
67.05492	0.1
68.99448	0.0
68.99818	0.3
69.03414	0.0
70.91640	0.0
76.53388	0.0
79.05486	0.1
79.83858	0.0
81.03407	0.2
81.07053	0.2
81.68427	0.0
85.02892	0.1
88.66074	0.0
89.69540	0.0
91.05463	0.3
93.07042	0.2
95.08596	0.1
97.02870	0.1
103.55241	0.0
105.07011	0.1
107.08601	0.1
109.02866	0.1
109.10204	0.0
116.61782	0.0
117.06971	0.0
119.04939	1.3
119.08502	0.1
121.02856	0.6
121.10153	0.1
129.01810	0.2
131.21150	0.0
133.10104	0.1
135.11705	0.1
143.09814	0.0
145.02827	0.7
153.01816	3.9
154.02173	0.0
159.11603	0.1
163.03880	0.4
171.02881	0.6
187.03915	0.1
197.06111	0.0
203.07101	0.2
211.03929	0.1
225.05365	0.4
229.04990	0.2
243.06477	0.2
247.05992	0.1
253.05046	0.1
261.21973	0.0
271.05981	100.0
272.06311	2.5
340.33511	0.0
410.90350	0.0
693.32751	0.7
693.43243	0.0
703.61395	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	693.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17376	0.6
53.44519	0.7
56.61018	0.6
57.05201	0.8
62.82169	0.6
67.05521	0.7
69.63757	0.7
71.45728	1.0
74.83768	0.6
81.07074	1.0
93.02853	0.6
96.90026	0.7
116.52747	0.7
118.65059	0.6
124.84990	0.7
124.94736	0.7
132.17760	0.7
176.76862	0.8
200.11209	0.7
235.74452	0.7
302.16208	0.7
335.18933	1.2
511.30359	0.7
584.52899	0.7
693.34491	100.0
694.34906	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	693.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	0.3
70.78416	0.3
71.85428	0.3
79.05496	0.3
81.03403	0.3
81.07072	0.3
82.78668	0.2
85.02902	0.5
89.18609	0.3
94.03931	0.6
101.03106	0.3
107.04903	0.3
107.08568	0.4
109.10175	0.2
121.10101	0.3
125.02097	2.2
134.19469	0.2
137.05951	0.6
151.07370	0.3
152.08075	0.4
153.01840	1.4
163.03949	0.4
163.07344	1.6
165.08966	0.6
169.04709	0.3
179.06894	0.3
179.10361	0.3
180.07581	1.9
181.08427	0.3
194.09190	0.6
195.13591	0.3
197.08098	0.3
207.09918	0.6
223.09401	4.0
235.16412	0.3
237.10988	2.1
245.11618	0.9
265.14148	0.6
277.18042	0.3
279.15683	0.9
285.12164	0.5
287.05658	0.4
291.19583	0.3
307.18930	0.6
341.20871	0.3
349.23450	0.7
351.17114	0.3
351.21393	6.0
355.15390	0.4
357.14481	0.7
358.15204	0.5
358.21274	1.9
359.21957	1.1
365.10577	0.3
365.22977	2.2
428.29102	0.8
468.32394	1.1
512.30798	0.6
513.33722	2.5
515.29999	0.7
530.32147	17.6
531.32861	6.0
624.88452	0.3
671.74915	0.3
693.38843	100.0
694.39075	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	693.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23474	0.4
67.05503	0.4
71.21474	0.5
80.02402	1.1
81.03416	0.7
81.07056	0.6
82.13434	0.4
85.51985	0.4
95.04943	0.5
95.08605	0.4
97.02888	0.5
105.07034	0.7
107.04705	1.4
107.08647	0.4
108.05524	0.7
111.56477	0.4
119.08550	0.5
127.03935	0.8
133.02872	0.5
135.04233	0.5
135.07851	1.2
145.21498	0.4
147.07878	0.7
149.09404	1.6
150.10202	0.7
151.10927	0.8
153.01949	0.5
163.03986	0.8
163.07277	0.4
165.09081	0.7
177.08878	0.8
178.09593	0.4
187.07332	0.4
191.06863	0.5
191.14256	0.6
192.11201	0.5
203.14087	1.0
206.09068	0.5
219.13577	4.1
220.10670	0.6
221.15131	0.5
235.16808	0.6
245.11517	3.5
246.12148	0.5
247.13062	5.8
261.14590	0.7
261.18286	0.5
275.16269	0.6
289.18130	0.6
289.21442	3.3
303.22879	1.0
305.20810	3.0
319.22543	0.8
329.20975	1.0
330.21594	1.2
331.22461	1.8
333.20313	5.8
347.21976	1.6
364.99789	0.4
399.25101	0.8
450.32190	0.4
453.29767	0.4
467.30603	0.4
468.32135	15.5
468.38788	0.8
469.32840	3.2
484.31586	11.8
485.32306	5.2
494.29813	0.9
495.30972	2.4
496.31903	0.4
497.28412	0.5
512.31049	17.1
513.31763	6.4
530.32025	1.2
531.32764	1.3
629.36621	0.4
631.38110	5.0
632.37836	0.7
647.37726	7.0
648.37982	0.9
657.35480	0.6
675.37122	26.9
676.37213	2.4
693.38177	100.0
694.28540	0.5
694.38556	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	694.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
53.16082	0.5
53.85833	0.4
54.21411	0.5
55.01857	0.6
55.05510	9.7
57.03435	6.8
57.07077	3.2
59.05003	0.6
61.02924	30.3
65.03932	1.5
65.68062	0.5
67.05502	57.0
68.05821	1.0
69.03419	4.0
69.06706	0.8
69.07065	10.7
69.25674	2.4
71.05003	2.7
71.08620	0.8
73.02914	10.2
75.04459	1.8
77.03934	1.5
79.05490	34.1
81.03403	2.1
81.07053	63.0
81.46142	0.5
83.04974	0.9
83.08617	7.1
85.02903	33.2
85.06536	2.8
87.04467	0.8
91.03953	27.9
91.05474	18.4
93.05500	4.2
93.07042	48.1
94.07415	0.9
95.04959	3.7
95.08603	53.1
96.08919	0.6
97.02891	16.1
97.06492	3.1
97.10162	3.1
99.04455	2.3
99.08086	2.1
103.03920	1.2
105.04548	2.4
105.06346	0.8
105.07028	16.5
107.08591	32.7
108.08932	0.7
109.02861	1.3
109.06522	1.6
109.10149	27.8
111.08073	1.5
111.11707	1.4
113.09650	1.2
115.03908	1.7
117.07014	8.0
119.08579	15.2
121.10142	32.5
122.10448	0.6
123.08067	1.7
123.11703	14.9
125.09629	1.3
126.98088	0.5
127.03909	9.9
129.07027	0.6
131.08563	18.2
133.09164	1.1
133.10123	14.4
133.11124	0.7
135.08041	0.7
135.11688	25.7
136.12119	0.9
137.09604	1.7
137.13243	6.2
139.11176	2.1
145.04953	13.1
145.10121	14.3
147.11679	10.6
147.45477	0.5
149.13246	20.5
150.13576	0.5
151.11153	1.8
151.14815	2.2
153.12764	1.1
159.11694	14.1
161.13254	9.6
163.06012	28.3
163.11198	0.9
163.14818	15.2
165.12753	2.3
165.16446	0.6
167.14351	0.6
173.13255	15.1
173.14752	1.0
175.14798	3.7
177.12759	1.6
177.16338	5.6
179.14240	2.7
187.14825	7.5
191.14284	1.5
195.17412	0.6
201.16313	2.8
205.15843	2.2
215.17964	1.3
219.17453	1.6
223.16956	0.7
233.22629	3.9
243.21082	34.5
244.21376	1.1
261.22122	100.0
262.22415	3.8
263.23642	2.5
279.23071	1.9
335.25781	16.8
336.25922	0.6
353.26840	58.8
354.27087	3.2
369.24136	0.8
405.26215	0.9
423.27411	0.7
497.31119	1.6
501.59662	0.5
531.45203	0.7
596.06342	0.6
608.34955	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01865	6.0
55.05510	32.2
57.03440	38.2
57.07068	7.9
61.02924	48.2
63.80334	2.7
65.03923	3.9
67.05502	89.5
69.03431	35.6
69.07065	33.5
70.17606	5.2
71.04980	12.3
73.02910	24.6
75.04479	22.9
79.05042	4.6
79.05490	80.3
81.03417	37.2
81.07053	100.0
83.04971	14.3
83.08619	15.3
85.02904	87.0
85.06538	5.1
87.04490	3.4
91.03957	60.5
91.05474	66.9
93.05518	90.3
93.06441	4.7
93.07042	94.3
95.04974	20.4
95.08022	4.3
95.08606	77.4
97.02889	48.2
97.06526	14.6
97.10165	6.0
99.04440	12.0
99.08083	5.0
103.03910	12.6
105.04524	3.2
105.07025	63.6
107.04948	9.3
107.08585	57.3
109.02869	9.4
109.06524	10.3
109.10151	34.4
111.04439	16.2
111.08070	6.5
115.03925	8.3
115.05445	4.3
117.05532	4.0
117.07012	37.6
119.08579	45.3
121.06496	6.7
121.10131	47.3
123.04436	4.4
123.08034	7.2
123.11707	12.6
125.09599	3.3
127.03919	36.6
128.06195	6.5
129.05467	5.1
129.06999	17.5
130.07777	2.6
131.04915	4.1
131.08562	49.1
131.09464	4.3
133.06483	8.8
133.10130	38.8
135.08009	10.5
135.11691	28.5
137.09592	4.2
137.13226	2.6
139.11197	2.8
141.06973	8.1
142.07788	4.4
143.08553	17.1
145.04950	35.0
145.06451	6.3
145.10126	39.5
147.04416	3.1
147.08018	7.9
147.11688	27.3
149.09587	6.9
149.13232	16.6
151.07417	4.6
153.06944	2.9
153.12766	2.7
155.08556	10.4
157.06487	4.4
157.10139	16.8
159.08044	6.0
159.11703	28.8
161.09566	6.6
161.13246	16.9
163.06013	78.5
163.11230	7.1
163.14851	7.9
167.08568	3.0
169.10088	8.3
171.06654	2.8
171.08069	4.9
171.11684	16.4
173.13249	25.4
175.11177	7.1
175.14809	8.2
177.12750	3.0
181.10138	6.8
183.11676	9.9
185.09621	5.5
185.13208	11.9
187.11179	5.4
187.14868	11.1
189.12762	3.9
189.16357	2.9
195.11719	5.1
195.25760	2.2
197.09647	2.3
197.13300	11.2
199.11195	4.5
199.14856	7.4
201.12750	4.4
201.16362	3.7
205.07045	3.1
207.11803	3.4
207.13646	2.7
209.13283	5.4
211.14816	4.1
213.12738	4.8
213.16428	4.4
214.96992	2.6
215.14304	4.2
215.17897	2.4
223.14891	4.4
225.12874	2.4
227.14436	2.5
231.17339	3.2
233.15402	3.1
235.13231	3.4
239.14474	2.7
241.19455	4.2
243.20990	4.7
245.15356	3.0
249.14845	5.2
255.10747	22.4
259.20554	11.3
261.19312	3.2
261.22144	23.3
261.24689	3.4
265.19501	2.7
271.17477	3.6
271.20624	6.8
273.18954	3.0
273.22049	6.9
277.14484	5.7
277.21707	12.2
279.23203	3.6
283.20496	3.6
285.22147	6.7
287.20099	4.5
289.18564	2.8
289.21576	12.1
291.23227	10.8
295.15344	5.5
297.22144	2.8
299.16080	2.4
301.21558	8.0
303.23044	19.4
313.21637	4.8
315.23193	9.5
319.22720	5.1
323.23679	5.6
327.23233	9.3
331.22498	6.0
333.21829	3.7
339.23376	3.0
341.24744	11.7
343.22760	3.3
345.24197	10.6
351.23172	27.5
357.24124	5.5
359.25806	5.8
363.25018	3.0
369.24228	82.3
370.24481	4.2
387.25226	68.0
388.25409	2.8
405.26340	97.8
406.26569	6.3
423.27438	41.8
424.27460	2.7
447.92972	2.3
453.90155	2.3
497.31302	3.8
513.28046	2.2
549.29846	2.5
567.31171	5.2
577.79803	2.7
651.38086	2.8
694.54535	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	695.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32807	0.4
83.08635	0.5
115.96204	0.4
126.47808	0.3
215.80725	0.3
223.28960	0.4
247.59227	0.3
270.37262	0.4
533.83435	0.4
545.13922	1.7
563.15369	7.1
564.16028	0.5
577.17004	0.8
578.17932	0.6
581.20233	0.5
617.16107	0.5
621.19580	0.8
622.20209	0.5
663.20764	1.3
664.21307	5.2
665.21869	1.1
695.23224	100.0
696.23486	9.0
699.57953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.0
53.03943	6.3
55.01863	3.0
55.05492	1.2
57.03429	1.8
65.03938	4.2
65.64243	0.6
67.05499	4.0
69.03065	1.2
69.03425	15.0
71.01344	0.7
71.04968	3.6
73.02926	0.7
77.03938	1.2
79.05490	7.5
81.03418	27.2
81.07045	2.7
83.01353	2.0
83.04959	0.9
83.08599	0.7
85.02908	4.8
85.06516	1.0
87.04459	0.7
87.55226	0.5
91.05479	9.5
93.03408	3.8
93.07057	6.9
95.04967	63.9
95.08592	2.0
96.05281	1.0
97.02892	12.5
99.04453	6.7
103.05458	3.1
105.03402	1.7
105.04507	3.2
105.07014	7.0
107.04949	31.9
107.08582	1.5
109.02875	100.0
109.06548	3.9
109.10181	1.0
111.04430	3.3
115.03909	0.7
115.05482	3.2
117.07021	13.6
119.04927	2.0
119.08573	5.0
121.02863	48.6
121.03932	2.0
121.06496	9.6
123.04424	18.1
123.08074	1.6
125.02357	8.8
125.05979	1.3
127.03910	41.5
128.06252	1.5
129.07031	6.3
131.04941	5.4
131.08563	1.1
132.05742	0.8
133.02866	8.6
133.06491	2.1
133.10136	0.8
135.04428	4.1
135.08041	3.3
135.11743	0.7
137.05977	2.4
139.03897	8.4
145.04967	14.6
145.06479	19.8
147.04378	3.3
147.08028	5.3
149.01225	0.6
149.02332	12.3
149.05954	7.9
151.03900	57.5
152.04179	0.8
153.01878	1.0
153.05452	11.5
155.04979	1.1
155.06047	3.1
157.06418	1.1
159.04378	3.0
161.05997	1.1
163.03923	5.6
163.07529	9.8
165.05496	1.4
165.09088	1.8
167.03394	20.0
167.07021	1.6
169.04968	2.0
171.07999	1.3
173.05984	12.9
175.03928	7.9
175.07530	4.0
177.05478	9.5
185.04440	17.8
187.07631	1.1
189.05501	0.8
191.07019	16.4
191.14297	1.2
193.04962	3.3
193.08595	2.8
195.06519	1.7
201.05449	4.3
203.05035	0.7
209.08017	1.7
213.07469	1.2
219.06506	12.5
225.09073	2.3
227.05592	1.0
235.06021	3.3
237.07550	13.3
243.10118	1.2
253.06964	1.4
255.08618	36.9
259.06030	1.1
293.06561	11.4
293.09692	1.2
297.09720	2.9
307.11652	1.0
311.07599	31.1
312.07855	0.8
317.10257	1.0
327.10944	3.5
333.09607	2.0
335.12274	0.8
345.09689	6.5
345.22906	0.6
357.11725	1.9
363.10706	43.6
364.11099	1.4
381.11771	73.8
382.12442	2.9
385.86890	0.6
399.12872	2.2
417.18253	0.6
479.29636	1.0
517.46057	0.6
525.16162	2.9
532.33667	0.9
543.17212	1.2
694.40973	4.6
695.40509	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	695.325
Annotation	Adociasulfate 2
Peak:m/z	Relative Intensity
50.87555	0.4
53.03932	1.0
55.01875	0.8
55.05500	1.2
57.03431	1.7
61.02924	3.8
67.05495	2.0
67.70518	0.4
69.03423	3.8
69.07059	0.5
71.02499	0.5
71.04995	0.6
73.02911	3.6
79.05489	2.9
81.03413	5.0
81.07052	2.8
83.04964	1.3
83.08619	1.5
85.02908	5.7
87.99750	0.4
91.03958	3.0
91.05489	2.6
92.20550	0.4
93.07048	2.4
95.04969	1.7
95.08586	1.5
97.02880	4.1
97.06539	0.5
99.04449	1.1
101.02364	1.6
105.07030	2.7
107.04945	1.5
107.08605	2.3
109.02876	0.7
109.06515	0.8
109.10140	0.8
111.04407	0.5
111.08079	0.5
117.06995	0.5
119.08553	2.3
119.99178	0.4
121.10129	1.4
121.64572	0.4
122.58186	0.3
123.08056	1.0
127.03928	1.8
129.07004	0.6
131.08525	1.4
133.10126	1.4
135.11697	0.8
137.05946	0.4
145.10115	1.5
147.08034	0.4
147.11649	1.3
153.01845	4.7
157.10124	1.4
163.11188	1.7
173.09593	0.5
173.77284	0.5
175.11163	0.5
179.03395	0.5
181.12393	0.4
185.04247	0.5
193.12207	1.4
203.05247	0.8
205.07120	0.5
211.13062	0.4
243.08366	2.2
249.10858	0.6
251.12476	1.3
255.09151	0.4
283.15414	0.8
307.15170	0.6
317.08884	0.7
329.08936	5.6
373.08075	0.5
467.13791	0.4
467.18933	5.7
469.20438	7.5
482.16815	4.3
497.19232	1.0
499.19366	1.0
515.32739	0.5
526.15674	0.9
541.18225	5.0
542.18011	0.5
558.18207	1.2
573.20801	13.0
574.20935	1.2
694.40753	0.6
695.31946	100.0
696.32611	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	695.343
Annotation	Hirsein B
Peak:m/z	Relative Intensity
52.05230	0.2
55.05499	0.4
58.82680	0.2
67.01862	0.6
67.05495	0.7
68.99815	0.4
69.35503	0.2
79.05481	0.6
81.03391	0.2
81.07065	0.9
91.05476	0.5
93.07033	0.6
95.08631	0.5
105.07042	0.3
107.08561	0.2
109.06524	0.2
119.04945	1.3
119.08556	0.2
121.02875	0.4
123.33112	0.2
145.02867	0.7
153.01819	3.6
163.03891	0.5
171.02901	0.5
203.07272	0.2
225.05464	0.4
243.06543	0.3
271.06000	100.0
272.06360	3.5
413.64191	0.2
485.96573	0.2
695.34271	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	8.3
69.07047	0.4
70.67975	0.3
71.95249	0.4
72.96014	0.4
74.97613	0.2
79.05450	0.9
81.07060	2.8
86.09732	0.3
97.96815	0.7
98.97556	0.7
107.08499	0.2
110.97541	1.6
114.26271	0.3
115.00666	0.3
115.97792	0.4
123.01208	0.4
127.00663	0.3
128.98625	1.6
129.02193	0.3
129.99345	0.2
133.01659	0.2
137.02715	0.5
141.02156	0.4
143.00111	0.4
146.99602	0.6
151.00658	0.3
153.02162	0.7
155.00159	0.3
155.03754	0.6
159.03346	0.5
161.01213	0.3
163.03937	0.4
165.02098	0.2
167.03806	0.5
169.01746	0.3
169.05324	0.3
171.03247	0.8
173.04868	0.5
181.05322	0.4
183.03236	0.5
183.06964	0.3
185.04868	1.3
187.06445	0.7
189.04323	0.9
191.05899	0.3
193.05360	0.2
195.06969	1.1
197.04831	0.4
197.08342	0.3
198.05702	0.4
199.02814	0.5
199.06424	1.9
201.04366	0.2
203.05925	1.5
205.01863	0.2
205.07420	1.2
207.06898	0.5
211.06337	1.3
213.05933	0.3
213.07986	7.0
215.05952	0.4
215.09436	0.3
217.07477	2.3
219.03337	0.3
219.06990	0.2
219.09065	0.2
221.08482	0.4
223.02715	0.5
223.06488	0.3
223.08432	0.6
223.10236	0.5
225.04433	0.4
225.07977	2.7
227.05905	0.6
227.09601	0.5
229.07458	4.9
231.06844	0.5
231.09033	6.0
233.08537	0.4
236.09705	0.3
237.04317	0.7
237.07928	1.6
239.09564	2.9
241.07494	0.5
241.11087	4.2
242.08282	0.8
243.09053	2.5
245.11253	0.5
247.08513	2.4
249.08070	0.2
251.09543	6.7
253.11087	0.8
255.09027	7.1
257.10605	2.0
258.07721	0.3
259.12180	3.7
260.09387	0.3
261.07770	0.5
261.10135	0.6
262.08917	0.3
265.11246	0.2
267.09125	0.7
269.10602	27.3
270.10889	0.8
271.12216	0.4
273.10022	3.0
274.10870	0.2
278.10690	0.5
279.09061	2.1
280.09717	1.8
281.10336	0.3
287.11670	10.0
289.14664	0.3
292.12302	1.4
292.15170	0.2
297.10065	2.8
298.10803	1.0
303.16251	0.3
307.15869	0.6
313.14645	1.0
315.11127	1.3
316.11911	0.5
321.17612	0.3
325.17062	0.3
331.15802	8.9
332.16132	0.3
335.21957	0.4
349.16864	14.7
350.17267	0.6
351.07288	0.2
367.17920	100.0
368.18320	3.4
372.18469	0.8
385.18988	12.7
386.19543	0.4
390.19626	0.5
408.20557	4.4
409.21008	0.4
470.33652	1.7
471.34171	0.3
486.33206	0.6
514.32867	1.7
515.32861	0.5
584.54205	0.2
633.39148	0.4
649.39362	0.3
677.38812	3.0
695.40247	24.3
696.40710	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04285	0.7
53.03941	1.8
54.09181	0.6
55.01876	0.7
55.05256	1.2
55.05509	17.9
56.60162	0.6
57.03433	8.5
57.07074	10.3
61.02925	25.6
65.03934	2.1
67.05504	65.8
69.03424	3.0
69.07067	25.9
69.65743	2.6
71.04983	2.4
71.08627	5.4
73.02916	9.6
79.05492	19.0
81.03407	1.6
81.07056	83.6
82.07378	1.2
83.04968	2.2
83.08618	20.4
85.02904	30.9
85.06541	2.6
85.10181	3.7
86.48689	0.7
87.04469	1.0
91.03377	1.3
91.03959	26.3
91.05478	13.8
93.07043	22.5
93.07490	0.5
95.04961	2.0
95.08606	78.6
96.08904	1.0
97.02891	15.6
97.06525	6.4
97.10171	12.8
99.04448	2.5
99.08076	3.4
105.04539	1.0
105.07029	11.3
107.08598	16.1
109.10156	40.2
111.08086	4.0
111.11700	4.9
113.09638	2.0
115.03926	1.7
119.08576	11.5
121.10149	22.2
123.08051	1.1
123.11713	18.3
125.09634	2.7
125.13262	2.1
127.03912	9.0
127.11173	2.3
129.05487	0.7
133.10129	17.0
135.11699	11.5
137.09599	2.1
137.13246	6.9
139.11185	1.9
139.14766	0.9
141.12746	3.7
145.04961	12.6
147.11693	11.0
149.13278	10.7
151.11217	1.0
151.14809	6.7
153.12854	0.9
155.14334	3.3
155.32396	0.8
161.13240	13.1
163.06023	19.2
163.14825	10.6
165.12776	1.7
165.16385	8.9
167.14374	1.1
175.14833	10.3
177.16466	1.2
179.14307	1.5
179.17937	6.6
181.15823	1.2
183.13881	0.8
189.16405	5.2
191.18016	0.7
193.15897	1.7
203.17976	1.7
207.17374	1.1
217.19543	2.0
245.22644	62.1
246.22920	2.6
263.23694	100.0
264.24069	3.6
265.25250	1.6
281.24811	3.4
337.27356	63.7
338.27713	3.4
355.28421	16.1
356.28885	1.4
414.22507	0.7
481.31641	1.1
499.32516	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	696.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68531	1.5
53.03957	2.3
55.05507	14.1
56.30332	1.5
57.03433	4.6
57.07077	7.2
61.02929	23.1
67.05504	56.5
69.03433	3.6
69.07070	21.3
71.04994	2.5
71.08624	5.1
73.02918	9.4
77.98053	1.7
79.05499	17.4
81.03446	3.0
81.07057	74.9
83.08616	16.7
85.02906	29.6
85.06525	2.8
85.10194	2.8
91.03960	28.4
91.05482	11.3
93.05544	1.9
93.07043	22.4
95.04987	2.6
95.08607	60.4
95.09226	3.3
97.02888	15.4
97.06518	5.8
97.10168	10.4
99.04456	2.3
99.08132	2.0
105.07028	9.4
105.90863	1.5
107.08585	17.3
109.10161	32.3
111.08085	4.8
111.11728	3.0
112.08862	1.5
115.03994	2.1
115.30782	1.5
119.08557	10.3
121.10147	20.0
123.11720	16.3
127.03891	9.0
133.10146	14.0
135.11693	9.9
137.09662	2.3
137.13245	7.8
141.12752	3.2
145.04930	12.4
147.11662	8.0
149.13269	9.0
151.11255	1.7
151.14796	5.2
155.14290	2.7
161.13260	13.0
163.06009	23.9
163.14838	7.3
165.16396	8.1
173.13344	1.6
175.14807	9.6
175.55844	1.6
177.16400	1.9
179.14433	1.6
179.17926	7.1
189.16400	3.8
203.17906	1.9
217.19559	2.2
245.22655	63.5
263.23694	100.0
264.24075	3.4
265.25433	3.3
281.24734	2.4
309.11172	2.0
337.27341	45.8
355.28329	12.9
423.40744	1.7
499.32614	1.9
518.47986	1.6
537.50177	1.6
677.04639	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
51.14119	0.2
53.03938	0.3
55.01862	0.4
55.05502	1.0
57.03433	1.9
57.32907	0.2
61.02681	0.3
61.02927	3.5
63.43890	0.3
67.05494	1.7
69.03438	2.4
69.07059	0.9
69.26068	1.3
71.04996	0.5
73.00652	0.3
73.02912	2.4
79.05493	2.4
81.03414	4.6
81.07058	2.7
83.04967	1.2
83.08189	0.3
83.08600	1.6
85.02905	5.5
87.04471	0.8
91.03951	2.2
91.05476	3.4
93.07029	1.3
95.04949	1.9
95.08607	1.2
97.02886	3.7
97.06535	0.5
97.10159	0.3
99.04440	0.6
101.02372	0.9
103.03965	0.3
105.07027	1.7
107.04935	0.6
107.08596	1.0
109.02866	0.8
109.06512	0.5
109.10192	0.3
111.04429	0.3
111.08108	0.7
119.08585	1.8
121.10158	1.1
123.08057	0.4
123.11689	0.4
127.03901	1.5
129.05502	0.2
129.07002	0.9
131.08588	1.4
133.10133	1.6
135.07961	0.3
135.11618	0.2
137.06027	0.5
145.10077	0.2
147.08031	0.3
147.11691	1.3
149.09618	0.6
153.01791	0.6
157.10103	1.6
163.03871	1.0
165.12743	0.4
175.11200	1.1
179.14404	0.2
185.04257	0.5
187.03935	0.3
193.12241	2.9
203.05244	0.4
211.13310	1.0
243.08427	1.6
251.12538	1.9
285.16974	0.4
305.67648	0.3
307.15097	1.2
315.51929	0.2
337.14301	0.7
340.73822	0.3
355.15323	0.4
369.25961	0.3
469.20456	12.7
470.21121	0.5
696.39301	0.4
697.33807	100.0
698.34351	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	698.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.1
51.02147	0.1
51.02386	0.1
53.03945	0.1
55.01871	0.1
55.05511	0.1
57.03441	0.1
62.01623	0.1
63.02108	0.1
63.02347	0.3
63.15113	0.1
64.53542	0.1
67.05506	0.1
69.03421	0.7
70.72527	0.1
71.04992	0.2
77.03922	0.1
79.05481	0.5
81.03413	2.8
81.07024	0.1
85.02901	1.1
89.03908	3.6
91.05455	0.1
93.07049	0.1
95.04972	0.3
95.08591	0.1
97.02884	0.6
99.04464	0.3
103.05476	0.1
105.04530	0.1
105.07018	0.2
107.04948	1.3
107.08594	0.1
108.04484	0.1
109.02879	1.2
109.10153	0.1
116.01730	0.1
117.03375	4.7
118.03716	0.1
121.10115	0.1
123.04465	0.1
126.05478	0.1
127.03898	0.6
135.04408	10.7
136.04770	0.1
137.05965	0.3
139.03871	0.1
145.02840	9.3
146.03227	0.2
147.04489	0.1
151.03925	0.1
154.06233	0.4
156.06598	0.1
163.03891	100.0
164.04231	2.1
175.07535	0.1
177.05490	0.2
181.04942	4.8
182.05402	0.1
186.05467	0.2
187.07622	0.1
195.10164	0.4
307.08099	3.2
308.08386	0.1
325.09164	7.4
326.09467	0.3
535.35400	0.1
539.42444	0.1
589.52783	0.1
659.87415	0.1
697.40771	0.2
698.29077	0.1
698.39667	0.2
698.48035	0.3
698.97656	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	698.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
55.01863	0.3
55.05497	0.3
57.03448	0.2
59.71297	0.1
63.02363	0.3
65.29174	0.1
67.05499	0.3
69.03421	0.6
69.07069	0.3
69.16902	1.1
71.04988	0.2
77.03922	0.1
78.13073	0.1
79.05490	1.0
81.03413	2.2
81.07060	1.3
83.04968	0.2
83.08570	0.2
85.02909	0.8
88.15298	0.1
89.03918	4.8
90.04266	0.2
91.05472	0.6
93.07020	0.6
95.04996	0.7
95.08613	1.0
97.02898	0.7
99.04461	0.3
99.08163	0.2
103.05481	0.3
105.04494	0.2
105.07030	0.7
107.04951	1.6
107.08615	0.7
109.02881	0.8
109.06533	0.4
109.10141	0.7
117.03379	6.0
117.07052	0.2
118.03677	0.2
119.08545	0.7
120.08092	0.2
121.10133	0.4
123.04428	0.2
123.08075	0.2
123.11707	0.2
127.03913	0.5
131.04973	0.2
131.08574	0.3
133.02913	0.2
133.10120	0.5
135.04413	13.8
135.08083	0.3
135.11668	0.2
137.06032	0.8
137.09622	0.4
137.13301	0.2
139.03940	0.3
144.06560	0.2
145.02847	10.2
145.04884	0.4
145.10132	0.4
146.03226	0.2
147.04413	0.4
147.11678	0.5
149.05960	0.3
149.13271	0.3
151.03996	0.4
151.07463	0.2
154.06235	0.7
159.11723	0.3
161.06003	0.2
162.02975	0.2
163.03899	100.0
164.04236	1.5
165.05487	0.2
167.07001	0.4
173.13246	0.3
175.07596	0.2
175.14742	0.3
177.05464	0.3
179.06952	0.2
180.08733	0.2
181.04984	1.4
185.13220	0.2
186.05475	0.3
187.14850	0.3
191.06976	0.2
191.14304	0.2
195.10176	1.5
199.14755	0.3
201.16380	0.2
209.08144	0.2
213.16331	0.2
259.16968	0.2
307.08124	1.2
319.26389	0.2
321.24197	0.2
325.09171	2.5
337.27359	0.2
338.27670	0.3
341.10910	0.4
342.11026	0.3
357.13391	0.2
391.29861	0.2
393.31332	0.2
426.54596	0.2
437.30634	0.4
455.31372	0.6
473.32770	0.2
483.31161	0.2
685.90198	0.2
697.41663	0.7
698.23102	0.5
698.40234	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.432
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36786	1.2
55.05257	2.1
55.05509	28.1
57.03430	7.6
57.07073	21.5
61.02626	2.2
61.02925	23.7
66.61838	1.4
67.05502	37.2
67.05865	1.8
69.03437	4.4
69.07065	52.5
71.04988	1.9
71.08626	14.5
73.02917	9.9
74.53916	1.4
75.04442	1.2
76.18548	1.2
76.23322	1.3
79.05487	17.4
81.03425	2.0
81.07053	49.1
83.04980	2.7
83.08617	38.2
85.02903	25.7
85.06539	2.6
85.10207	6.2
91.03948	23.1
91.05457	3.1
92.84071	1.2
93.07043	27.7
95.04970	2.5
95.08607	49.8
97.02879	15.2
97.06522	9.9
97.10173	23.0
99.04441	1.5
100.48327	1.3
103.03959	1.5
104.05048	1.4
107.08584	18.0
109.10155	22.9
111.08086	4.6
111.11699	9.7
115.03931	1.6
119.08563	1.6
121.10143	39.8
121.10990	2.6
123.11720	7.0
125.09647	3.0
125.13287	2.2
127.03916	9.4
131.30934	1.4
133.10217	1.6
135.11684	30.7
135.12654	2.6
137.13252	3.2
139.11172	3.1
145.04970	12.4
149.13249	13.6
151.14816	5.3
153.12761	2.2
163.06004	18.6
163.14871	7.5
165.16397	5.2
177.16367	3.9
201.92741	1.3
205.19511	1.5
210.81108	1.4
247.24200	31.4
250.17842	1.7
265.25269	88.8
266.25629	2.9
283.26318	17.7
339.28915	100.0
340.29227	3.6
345.28168	1.5
357.29971	65.6
358.30429	3.6
359.97208	1.7
373.27188	1.7
391.28235	1.9
409.29694	1.6
427.30420	6.8
470.51093	1.5
501.34372	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	699.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54195	1.6
55.05527	1.8
58.67793	1.9
60.54632	1.7
67.05512	4.2
69.40247	4.3
69.40661	6.0
75.04483	4.3
79.05503	4.8
81.07055	5.5
82.56699	1.7
91.05449	3.0
93.07071	2.8
95.08614	3.5
117.07064	1.8
134.05994	8.3
184.07390	4.1
207.59164	1.9
227.12857	1.8
243.47774	1.9
255.15030	2.8
287.05499	2.8
327.13589	1.9
336.11337	1.9
342.12250	1.9
363.09958	2.3
380.14001	2.8
430.17944	2.7
431.18530	2.7
457.16614	2.1
473.20389	2.3
487.20813	2.9
490.19998	3.0
501.19565	3.0
505.22299	3.8
515.20679	3.5
518.19141	2.2
533.21735	2.9
543.19934	2.7
547.23077	4.9
575.22510	2.8
592.22833	2.3
607.25348	4.2
617.23492	6.5
625.26508	2.9
635.24951	5.4
639.27985	4.3
649.26465	16.1
667.27600	100.0
668.28351	10.0
699.29779	34.8
699.43378	15.9
700.30096	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	699.356
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78708	0.1
69.79041	0.3
87.04442	0.2
87.92311	0.1
89.16514	0.1
154.94066	0.1
157.48877	0.1
158.31566	0.1
185.04199	0.7
203.05165	0.3
246.87981	0.1
250.31476	0.1
252.26721	0.1
259.07977	0.7
277.08945	2.8
294.45496	0.1
347.09494	1.2
365.10611	0.2
375.24860	0.2
421.13284	0.3
537.30322	17.7
538.30701	0.8
639.24622	0.3
699.35535	100.0
700.35883	5.2
700.48236	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	699.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.7
55.05505	2.6
57.03439	1.5
57.07054	0.8
61.02923	1.7
65.03938	0.3
67.05495	2.3
69.03426	4.6
69.07067	2.7
69.20382	1.8
71.04974	0.7
73.02876	0.7
79.05508	1.8
81.03417	2.3
81.07059	5.9
83.04960	0.4
83.08598	1.4
85.02906	18.7
85.06522	0.5
87.04433	0.4
89.03890	0.8
91.03940	0.7
91.05471	2.2
93.07050	3.4
95.04959	1.4
95.08023	0.5
95.08604	7.4
97.02895	6.2
97.06455	0.4
97.10150	1.3
99.04437	1.2
99.08089	0.5
102.44559	0.3
105.06352	0.5
105.07027	7.4
107.04918	0.6
107.08592	6.3
109.02885	2.2
109.06502	0.8
109.10144	4.0
111.08041	0.6
115.05400	0.3
117.03393	2.3
117.07005	0.8
119.08576	12.0
121.06499	0.7
121.10144	5.0
123.04409	0.3
123.08035	1.2
123.11705	2.8
125.09591	0.4
127.03906	4.3
129.07004	0.7
131.04915	0.5
131.08548	1.9
133.10130	12.7
134.10468	0.6
135.04364	0.5
135.08047	0.6
135.11670	2.1
137.05986	1.8
137.09557	0.7
137.13231	0.5
139.03923	0.3
139.11198	0.3
143.08522	1.3
145.02859	7.0
145.04947	5.7
145.06120	0.6
145.10132	3.0
147.04427	0.9
147.08031	0.5
147.11681	11.6
149.05922	1.0
149.09540	0.9
149.13252	0.6
151.03871	1.0
151.07556	0.3
151.11189	1.3
155.08524	0.5
157.10124	2.2
159.11694	3.1
160.12468	1.0
161.05914	0.4
161.09630	1.5
161.13248	3.7
163.03929	2.2
163.06029	1.9
163.11119	0.5
163.14807	0.6
167.07011	0.6
167.10742	0.4
169.10118	1.1
169.12231	0.8
171.11720	1.9
173.09564	0.4
173.13234	2.6
175.11177	1.0
175.14796	1.4
177.05464	14.9
177.12726	1.1
181.05092	0.5
183.11691	1.2
185.13232	1.7
187.13318	0.5
187.14781	2.1
189.12726	0.5
189.16379	12.4
195.11670	0.6
197.13214	0.6
199.11154	0.4
199.14914	1.6
201.12733	0.7
201.16382	1.1
203.14278	1.9
203.18022	0.7
209.13307	0.4
211.14748	0.9
213.12820	0.4
213.16374	1.1
215.17888	2.9
216.18552	0.3
217.15891	4.2
221.15427	0.9
223.14766	0.4
225.16356	0.9
227.18007	2.4
229.15848	1.1
229.19473	0.5
231.17503	0.3
235.16922	56.2
236.17406	1.5
237.16360	0.4
239.17789	0.3
241.19472	0.7
243.17433	2.2
243.21054	0.7
244.17978	0.3
245.19009	1.2
247.16888	0.5
251.17876	0.8
253.19429	0.8
255.17358	0.7
261.18561	1.5
265.19513	0.4
269.18997	1.2
271.20547	0.8
281.22702	0.3
283.20450	0.5
287.05408	0.6
287.20169	0.6
289.21573	0.7
291.68994	0.3
296.24927	0.4
297.25760	0.5
299.48080	0.3
309.11313	0.4
315.26797	0.4
321.25766	2.0
329.24878	3.3
339.11411	0.4
339.26843	8.3
343.17380	1.6
357.27866	20.5
358.28400	0.8
375.28922	100.0
376.29324	3.9
470.83026	0.4
519.21826	0.8
519.33557	0.5
526.94312	0.4
537.34253	8.2
699.26703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84525	0.6
53.03940	1.0
54.49325	0.5
55.01856	0.7
55.05502	4.1
57.03423	1.2
57.07051	1.9
59.04987	0.7
61.02906	2.6
67.05502	3.5
69.03424	6.7
69.07069	5.4
69.79513	1.1
71.04980	2.2
73.02902	1.1
79.05493	3.9
81.03417	3.7
81.07051	8.7
83.08625	3.5
85.02410	1.3
85.02899	17.5
87.04437	0.8
91.05466	4.3
93.07037	6.4
95.04941	2.3
95.08031	1.0
95.08605	12.9
97.02882	8.2
97.06511	0.8
97.10158	1.4
99.04430	1.8
103.05453	1.7
105.04478	0.8
105.07027	13.3
107.04958	2.6
107.07932	0.9
107.08590	10.9
109.02853	2.2
109.06522	4.9
109.10155	7.5
111.08049	0.7
117.03400	0.9
117.07013	1.7
119.04886	0.7
119.08575	19.3
121.05723	0.7
121.06506	7.8
121.10139	11.3
123.08060	10.5
123.11682	2.8
127.03913	4.8
128.06207	0.7
129.07004	1.0
131.04916	2.3
131.08545	3.9
133.06465	2.3
133.10123	21.6
135.04433	1.9
135.07123	0.6
135.08043	3.1
135.11685	3.4
137.05960	4.0
137.09608	5.3
143.08557	5.2
144.56822	0.5
145.04912	4.0
145.10115	5.6
146.10890	2.0
147.08055	4.6
147.11673	13.1
149.09589	3.0
149.13161	1.0
151.03917	0.7
151.07742	0.5
151.11176	0.7
155.21417	0.7
156.09404	0.8
157.10127	6.4
159.08046	1.7
159.11667	6.1
160.12340	0.6
161.05966	1.3
161.09610	11.9
161.13242	4.0
163.02634	1.0
163.03885	11.5
163.06001	0.6
163.07526	1.1
163.11198	1.3
165.09103	1.9
167.03386	0.8
167.06992	0.8
167.10646	0.7
169.10129	1.1
171.11699	3.6
173.09608	1.3
173.13228	3.6
175.07532	1.0
175.11171	5.0
175.14795	3.1
177.05489	1.5
181.10150	0.6
183.11690	1.7
185.05980	0.7
185.13277	2.2
187.11160	1.0
187.14812	2.5
189.12784	1.2
189.16383	13.1
190.16653	0.9
191.17928	1.4
195.11554	1.0
197.08102	2.1
197.13225	1.8
199.11282	0.6
199.14798	10.9
201.12785	0.7
201.16312	3.5
203.14259	2.1
203.17816	0.7
205.04918	0.6
209.13249	1.3
209.15262	0.9
211.14781	2.1
213.16367	2.0
215.14326	2.2
215.17877	3.3
217.15865	74.9
218.16212	2.3
219.17409	7.9
225.16386	2.2
227.14403	0.7
227.17934	2.4
229.15886	2.5
231.17380	1.2
235.16924	9.9
237.16287	1.3
239.17879	0.7
241.15965	0.7
241.19466	1.0
243.17455	4.2
245.18954	1.2
251.17863	0.7
253.19533	0.9
255.17458	1.7
257.18979	0.6
261.18536	2.5
265.19510	1.2
269.19095	1.5
277.07104	1.8
281.22678	0.8
295.24228	1.1
296.24695	0.9
297.22324	0.9
297.25589	1.3
299.43216	0.6
304.15030	0.6
311.27347	0.7
313.25226	1.9
321.25800	5.6
329.24561	1.3
339.26813	32.8
340.27167	1.9
341.28513	1.3
357.27850	100.0
358.28165	4.8
375.28915	30.0
376.29501	1.2
403.14844	0.6
465.61603	0.6
515.21533	0.6
519.33160	39.7
520.33313	2.1
537.34119	1.5
699.28333	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	700.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01863	0.3
55.05487	0.1
57.03438	0.2
57.49555	0.2
59.22099	0.1
63.02372	0.2
67.05492	0.4
69.03429	1.1
69.07079	0.2
71.04992	0.2
71.45379	0.2
72.17551	0.2
75.40762	0.1
79.05482	0.8
81.02975	0.2
81.03417	3.3
81.07043	0.7
85.02894	1.0
89.03910	3.5
91.05482	1.0
93.07043	0.7
95.04961	1.0
95.08596	0.5
97.02871	0.9
97.06532	0.2
99.04516	0.4
103.05480	0.4
105.07035	0.5
107.04965	1.9
107.08586	0.4
109.02876	2.1
109.10159	0.5
111.04443	0.3
117.03378	5.9
117.06980	0.3
119.04889	0.3
119.08549	0.3
121.02882	0.5
121.06480	0.3
121.10148	0.8
123.04405	0.3
123.11729	0.3
127.03951	1.1
129.06993	0.2
131.04971	0.3
131.08524	0.2
133.06470	0.2
133.10117	0.3
135.04419	12.8
135.08029	0.2
136.04784	0.2
137.05983	2.4
137.09618	0.4
139.03870	0.3
145.02846	9.9
145.06491	0.5
145.10143	0.3
146.03215	0.2
147.04402	1.4
149.02306	0.2
149.05925	0.2
149.09563	0.3
151.03914	0.6
153.05496	0.3
153.84863	0.2
159.04482	0.2
161.06012	0.5
161.60249	0.2
163.03900	100.0
164.04242	1.9
165.05466	0.3
165.09090	0.3
167.07031	0.3
167.10545	0.3
173.05997	0.3
175.03941	0.2
175.07578	0.5
177.05475	0.4
181.04951	5.1
185.04494	0.2
187.07542	0.5
191.07050	0.4
193.08519	0.3
199.99883	0.2
201.05548	0.2
237.07555	0.3
241.08733	0.2
255.08527	0.3
305.24704	0.2
307.08136	3.9
311.07510	0.3
311.12616	0.2
323.25601	0.3
325.09158	5.3
326.09506	0.2
355.15030	0.2
363.10709	0.7
375.28870	0.2
381.11844	1.2
399.13400	0.2
420.18817	0.2
485.18057	0.3
539.09729	0.8
700.27612	0.9
700.47479	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	700.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06877	0.6
53.03938	1.1
55.01868	2.2
55.05505	7.1
57.03438	9.1
57.07075	3.0
59.04998	2.3
61.02918	2.2
65.03925	1.3
67.05502	9.3
69.03430	24.1
69.07067	6.7
69.68245	2.3
71.04993	3.0
73.02914	4.8
79.05489	8.4
81.03413	2.8
81.07058	19.3
81.07458	0.4
83.04982	17.6
83.08607	5.9
85.02399	1.3
85.02905	25.5
85.06544	3.8
87.04469	10.3
91.05482	8.4
93.06516	1.1
93.07045	12.0
95.04969	45.0
95.08610	10.6
97.02899	20.5
97.06524	9.7
97.10162	1.0
99.04461	8.2
99.08086	1.6
103.03911	1.2
105.07027	16.1
106.61466	0.7
107.04946	1.5
107.08591	27.8
109.02886	3.0
109.05751	0.9
109.06518	24.2
109.10158	30.2
111.04401	1.2
111.08095	5.0
113.06007	0.9
113.09650	0.9
115.03934	15.6
115.05438	0.7
115.07565	7.0
117.07018	2.4
119.08579	12.5
121.06512	1.7
121.10147	20.2
123.04424	0.6
123.08080	5.9
123.11714	7.4
124.81757	0.6
125.05991	1.0
125.09640	5.5
127.03917	6.1
127.07546	1.5
129.07022	1.0
131.08565	13.8
133.04964	17.8
133.10129	49.7
135.08064	12.3
135.11681	14.4
137.05965	2.5
137.09647	1.6
137.13263	0.6
139.11171	7.1
141.09103	1.4
143.08554	3.0
145.04959	7.7
145.10129	7.2
147.11676	13.1
149.09628	2.3
149.13243	17.4
150.07620	1.8
151.03871	0.9
151.11165	8.2
153.09100	16.7
158.10912	5.0
161.13261	0.7
163.03952	1.3
163.06053	3.6
163.07274	0.7
163.11154	1.2
163.14815	5.2
165.05403	0.7
165.12740	2.9
167.10712	0.9
167.14322	9.1
169.12251	1.2
171.10162	2.2
173.13263	44.6
174.13585	1.4
175.06062	1.3
175.07471	1.3
175.14828	12.7
187.05904	0.7
187.07501	0.9
191.14307	58.9
192.14648	1.3
193.15872	2.0
207.08333	0.7
209.15366	100.0
210.15715	1.9
223.05865	0.7
227.16418	49.7
228.16774	1.1
241.07109	1.2
259.08096	2.5
266.70026	0.6
277.09256	1.7
295.10254	2.4
298.44232	0.6
305.17325	0.6
323.18622	1.2
325.11157	1.1
335.18500	1.5
341.19553	2.1
353.19571	4.1
371.20740	5.1
389.21841	1.5
701.23785	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75010	1.5
66.33205	1.6
67.05511	1.7
75.90434	1.5
77.99611	1.7
79.05510	2.8
82.13713	1.7
88.70889	1.5
96.14236	1.6
108.08038	1.7
120.08127	1.7
184.07385	3.6
235.08614	1.6
235.12381	2.2
237.10339	2.1
249.10345	1.8
251.11972	1.9
265.13416	1.7
274.10318	1.8
279.14590	1.6
320.14072	2.8
332.13934	2.3
367.19089	4.2
381.17352	2.8
395.18805	3.7
396.19788	2.3
397.20374	4.9
404.16257	2.5
405.17215	1.9
406.17953	2.2
407.19000	2.0
409.20639	2.4
417.17374	2.1
424.19006	2.8
425.20013	6.5
451.21997	2.7
453.18964	2.2
461.20151	2.6
462.16589	8.3
463.17755	2.7
465.23175	2.0
466.20709	1.9
467.20374	1.9
474.17398	1.7
479.21017	2.8
482.23218	7.2
483.23822	5.5
484.24774	3.7
489.19696	3.8
493.22281	2.7
494.18808	9.4
508.17566	2.7
511.23502	6.4
512.24072	16.4
521.21729	3.0
525.25092	4.4
526.25409	2.6
535.23950	2.7
538.22101	2.6
539.23114	4.6
553.24585	3.3
554.25433	4.6
563.22528	2.2
567.22302	3.2
577.20923	6.3
580.23236	2.5
581.24011	6.7
595.21869	3.6
598.24579	6.0
599.25189	6.2
608.22729	8.0
609.23779	2.1
613.26642	4.0
623.25055	5.2
626.23767	14.0
627.24304	13.5
641.26123	23.5
642.27344	2.2
651.24445	10.5
669.25421	46.1
670.26154	2.0
700.45679	3.3
701.28162	100.0
701.45703	8.6
702.28949	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	701.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48106	0.1
56.85360	0.2
65.16109	0.2
67.05511	0.2
70.06593	0.2
75.28735	0.1
76.14001	0.2
81.07083	0.2
86.51610	0.1
95.08610	0.2
98.22674	0.3
102.09196	0.1
128.23430	0.1
130.80176	0.1
138.99457	0.2
146.60428	0.2
146.75529	0.1
149.02376	0.2
180.40820	0.1
185.04225	0.7
185.10405	0.2
189.45703	0.2
203.05231	1.7
203.98383	0.2
256.26321	0.2
259.07895	1.2
305.08499	0.4
347.09436	1.3
351.18445	0.2
365.10608	2.9
421.13092	1.1
539.31915	19.9
540.32208	1.1
701.37115	100.0
702.37506	9.6
709.82971	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	702.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18534	0.4
53.03949	0.5
55.01864	0.5
57.03431	0.6
58.17471	0.4
61.02928	0.7
65.03956	0.6
67.05526	0.6
69.03445	2.7
69.16420	2.8
79.05499	0.9
81.03404	0.8
81.07033	1.1
83.04990	0.5
85.02915	5.9
87.04476	0.4
91.05482	5.0
95.04972	2.5
95.08633	0.5
97.02896	2.7
103.05466	4.9
105.07020	1.2
107.04960	2.5
107.08514	0.6
108.08125	8.6
109.02887	0.9
109.06503	1.2
109.10184	0.5
111.04446	0.6
115.05473	0.7
119.04950	5.8
119.08609	0.4
121.06515	1.7
121.10087	0.4
122.03632	1.0
123.04410	0.5
123.08090	0.7
123.11807	0.5
124.07581	1.1
127.03944	1.5
128.06253	0.7
129.07034	3.5
131.04933	15.0
131.05908	1.0
131.08583	0.5
133.04961	0.6
133.06506	0.7
133.10080	0.5
134.06006	0.5
135.04379	0.7
135.08038	1.4
135.11731	0.7
136.05170	0.8
136.07597	1.2
137.05986	25.7
145.04994	1.5
145.06429	1.1
147.04430	0.9
147.07991	0.8
149.05984	4.5
149.13231	0.5
151.03900	1.4
151.07552	38.0
152.07007	4.1
153.05571	0.6
157.06502	3.6
161.05989	4.2
161.09604	1.1
163.03911	4.1
163.06245	0.7
163.07549	19.1
164.07881	0.6
165.05583	0.5
165.06979	1.0
165.09120	1.5
167.07368	0.4
167.08585	2.7
174.06769	2.0
175.07520	3.1
175.14838	0.6
177.05573	0.7
177.09097	9.4
181.05003	6.3
181.06473	0.7
181.10077	0.6
187.07474	0.5
189.09119	11.3
190.09503	0.6
193.06544	1.0
193.08591	0.6
193.10184	1.7
193.15897	0.9
195.08070	7.1
203.08569	0.7
207.08383	0.6
207.10211	2.0
209.07942	0.6
209.09718	1.1
210.06717	0.5
211.16936	1.4
212.08377	1.3
219.10075	0.8
221.05981	2.6
221.09644	3.1
221.11784	2.8
223.07588	3.2
224.08275	0.5
225.05507	0.5
225.09113	2.3
227.10677	10.5
227.12788	0.7
227.16441	0.5
237.09151	0.8
238.09883	0.4
240.07800	0.5
241.12248	0.6
249.09074	1.7
252.07893	0.6
253.08650	3.8
253.12213	5.4
255.07635	1.0
255.10161	11.3
256.10562	0.6
267.10196	2.5
269.08075	1.2
269.11786	0.7
271.10184	0.5
272.10526	1.2
281.11813	2.6
284.10455	0.9
285.11264	7.6
287.12781	17.6
288.13150	0.6
299.12692	1.4
301.14285	0.7
311.12680	1.0
313.14328	14.8
314.12292	6.6
314.15149	0.5
325.14706	0.5
331.15399	100.0
332.15768	5.1
343.10986	0.6
343.15430	3.2
428.13110	0.6
439.17459	0.5
702.24957	1.3
732.44751	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01892	0.1
52.73388	0.1
53.03930	0.3
55.05510	1.7
57.02398	0.1
57.03429	0.3
57.07055	0.5
59.04973	0.2
61.02911	0.1
63.02365	0.3
65.03927	0.2
67.05168	0.2
67.05500	3.4
69.03413	0.6
69.07067	1.3
71.04995	1.1
71.44475	0.1
74.34426	0.1
79.05499	1.4
81.03393	0.6
81.07052	13.6
82.07368	0.2
83.04955	0.6
83.08597	0.4
85.02893	1.0
85.06552	0.8
89.03377	0.2
89.03909	3.9
89.04465	0.3
89.05978	0.3
91.05461	0.6
93.07035	1.8
95.04964	2.0
95.08601	2.8
97.02876	0.5
97.06510	0.2
97.10166	1.6
99.04459	0.4
99.08062	0.4
103.05441	0.4
105.04461	0.2
105.07009	0.7
106.58265	0.1
107.04957	1.5
107.08578	1.2
109.02834	0.4
109.06480	0.5
109.10153	1.3
109.23048	0.1
111.04433	0.5
111.08090	0.9
111.11713	0.2
117.03372	5.1
119.08625	0.2
121.10133	0.7
122.03667	0.1
123.08036	0.2
123.11695	10.0
124.12024	0.2
125.09576	0.2
127.03891	0.3
127.27110	0.2
131.04942	0.8
133.10161	0.6
135.04407	11.4
135.07996	0.2
135.11664	0.3
136.04701	0.3
137.05971	0.4
137.09587	0.2
137.13289	0.2
139.03902	0.4
141.12718	0.3
145.02837	10.1
146.03220	0.4
147.04382	0.5
149.13242	0.2
151.11183	1.9
153.12698	0.4
161.05934	0.4
161.13350	0.2
163.03886	100.0
164.04240	2.3
167.06999	0.2
168.43951	0.1
169.12222	4.2
181.04968	0.6
181.08542	0.3
181.12242	0.6
186.05385	0.2
187.13297	2.0
219.10199	0.2
271.24142	0.4
277.25320	0.2
289.25214	1.3
303.15933	0.2
307.08252	0.2
307.26337	2.5
319.08051	1.2
325.09164	0.9
325.16443	3.8
325.27319	1.2
331.15305	0.6
337.09088	0.7
343.17432	0.6
343.28348	0.2
355.10339	0.3
361.18716	0.5
424.08133	0.2
469.31583	0.2
471.55994	0.2
505.20639	35.0
506.20944	1.5
667.26172	1.8
701.49323	7.5
702.49506	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	702.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.7
61.02916	0.9
69.03433	2.7
71.43771	0.9
71.44162	0.8
75.85549	0.7
79.05503	1.1
81.03425	1.2
85.02906	5.0
91.05498	5.3
93.07041	1.4
95.04980	2.2
97.02889	3.0
103.05458	8.5
105.07009	1.7
107.04956	2.2
107.08609	1.0
109.06506	1.4
115.05453	1.7
117.07018	3.4
119.04938	4.0
121.06451	1.6
122.03635	2.7
123.08045	1.0
127.03918	2.4
129.06998	2.0
131.04933	21.8
132.05280	0.8
133.06494	1.1
135.04436	1.6
135.08055	1.8
135.23604	0.8
137.05981	35.6
143.08575	1.4
145.02834	1.4
145.04924	0.8
145.06448	1.5
147.04417	4.1
149.05991	2.4
151.03909	1.4
151.07541	23.1
157.06465	2.0
160.05228	0.9
161.05980	6.1
161.09631	0.8
162.06769	1.7
163.03915	7.8
163.07547	53.0
164.04323	1.3
165.09129	1.5
167.07149	0.7
167.08557	1.6
171.08038	1.5
174.06758	1.2
175.07555	6.1
177.09111	100.0
178.09486	2.1
179.07137	0.9
181.04965	3.8
189.09091	6.5
193.10103	1.4
195.08049	4.1
195.10170	2.8
197.08096	1.2
203.10603	1.2
207.10120	1.2
209.09660	1.1
219.10219	1.1
221.06023	1.0
221.09758	2.1
221.11719	30.8
223.07552	2.0
225.09119	1.3
227.10757	6.3
235.07774	0.9
237.09126	0.9
238.05963	0.8
249.09167	1.3
253.08658	1.4
253.12213	2.5
255.10205	5.7
265.08502	1.8
267.10220	1.4
269.08096	0.9
272.10461	0.7
281.11667	1.5
284.10123	0.9
285.11145	3.4
287.12802	8.8
288.13177	0.9
293.11786	1.3
297.11118	1.3
299.12616	1.5
311.12820	3.1
313.14359	5.6
325.09189	0.8
331.15390	49.0
332.15729	1.7
343.15469	11.1
345.16785	1.5
432.77228	0.8
518.57117	0.8
686.20233	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40016	0.1
55.05511	0.8
57.07080	0.2
58.75398	0.1
59.21796	0.1
63.02359	0.3
67.05222	0.2
67.05503	1.7
69.03408	0.2
69.07062	0.4
71.04958	0.4
76.11547	0.1
77.03893	0.2
79.05483	1.4
79.93417	0.1
81.03382	0.3
81.07053	7.6
83.04955	0.2
83.76514	0.2
84.07559	0.2
85.02883	0.3
85.06538	0.5
86.60464	0.1
89.03912	4.5
90.30875	0.1
91.05445	0.2
92.08466	0.2
93.07040	0.8
95.04984	1.0
95.08593	1.7
97.02847	0.1
97.10160	0.5
99.08114	0.2
105.04462	0.2
105.07004	0.2
107.04945	1.6
107.08592	0.3
109.02898	0.2
109.10182	0.3
111.04421	0.2
111.08120	0.2
117.03374	6.4
123.08030	0.1
123.11702	4.8
133.10117	0.2
135.04408	13.5
136.04723	0.3
139.03960	0.2
145.02846	11.2
146.03212	0.2
151.11179	0.8
163.03894	100.0
163.24397	0.2
164.04227	2.3
169.12230	1.9
175.07813	0.1
181.04968	0.3
186.05437	0.3
187.13339	0.9
224.94991	0.1
303.15952	0.4
319.08151	0.4
325.09152	0.5
325.13196	0.2
325.16425	1.1
331.15442	0.5
337.09088	0.8
343.17737	0.4
349.16324	0.3
355.10202	0.3
361.18466	0.3
391.19949	0.1
505.20673	16.9
506.21021	1.4
523.21771	0.3
528.79810	0.1
701.49249	0.2
717.34717	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	702.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87934	0.2
53.03933	0.2
55.01873	0.3
55.05505	1.6
57.07048	0.6
63.02374	0.3
67.05499	2.5
69.03413	0.7
69.07056	0.7
71.04982	0.8
79.05482	1.8
81.03413	0.6
81.07051	11.7
83.04980	0.4
83.08607	0.4
85.02903	0.9
85.06516	0.7
89.03377	0.4
89.03909	5.0
89.05980	0.2
91.05471	0.5
93.07030	1.7
93.66813	0.2
95.04964	1.7
95.08586	2.5
97.02870	0.5
97.06520	0.2
97.10151	1.6
99.04469	0.3
99.08094	0.4
103.05446	0.4
105.04494	0.2
105.07014	0.9
107.04949	2.1
107.08565	0.9
109.06511	0.5
109.10152	0.8
111.08044	0.4
113.05963	0.2
114.37492	0.2
117.03368	7.2
117.04199	0.4
119.04845	0.2
119.08543	0.4
121.06471	0.2
121.10114	0.4
123.04426	0.3
123.08052	0.3
123.11697	9.8
124.12016	0.4
127.03931	0.2
131.04904	0.6
131.08478	0.2
133.10133	1.0
134.10454	0.2
135.04402	15.3
135.10765	0.2
136.04712	0.3
137.05946	1.1
141.12738	0.3
145.02841	11.5
145.10027	0.2
146.03206	0.2
147.04376	0.6
147.11673	0.3
149.05946	0.2
151.03856	0.3
151.07520	0.4
151.11171	2.2
161.05939	0.5
163.03885	100.0
164.04225	2.1
165.05510	0.3
165.09044	0.3
167.07053	0.2
169.12225	6.2
173.05930	0.3
173.13370	0.2
175.07596	0.2
175.14815	0.2
177.05457	0.5
177.09071	0.8
178.05890	0.3
181.04936	0.6
181.06366	0.2
187.07555	0.3
187.13280	4.9
188.13565	0.2
189.05440	0.4
193.07047	0.3
201.05461	0.2
213.05443	0.4
219.10063	0.2
221.11771	0.3
235.16945	0.3
236.17007	0.2
237.17464	0.2
265.08469	0.2
297.11218	0.3
303.15967	0.3
319.07968	0.4
325.09152	0.6
325.16464	0.6
325.27072	0.2
329.13538	0.2
331.15192	2.6
332.15744	0.2
337.09171	0.5
337.14175	0.5
343.17474	0.7
349.16138	0.2
355.11237	0.3
355.15332	1.4
356.15793	0.2
361.18533	3.5
373.16364	0.2
375.29172	0.5
376.29340	0.8
377.29578	0.6
378.15466	0.2
378.29538	0.2
493.19406	0.2
502.75537	0.2
505.20642	11.4
506.21091	0.4
523.21808	0.3
612.49530	0.2
627.90308	0.2
697.14764	0.2
701.49347	1.4
702.38446	0.2
702.49719	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.2
51.13942	0.2
53.03935	0.2
55.05504	0.9
57.07056	0.3
59.04979	0.2
59.56667	0.2
63.02372	0.3
67.05505	1.7
69.03416	0.4
69.07059	0.4
70.52306	0.4
71.04989	0.7
79.05489	1.3
81.07053	8.1
85.02905	0.2
85.06535	0.6
89.03912	4.4
89.06007	0.2
91.05456	0.4
93.07047	0.9
95.04973	1.0
95.08610	1.4
97.10163	0.6
105.07039	0.5
107.04961	1.5
107.08604	0.3
109.02888	0.2
109.06558	0.2
109.10130	0.5
111.04393	0.2
111.09421	0.2
117.03376	6.5
121.10136	0.2
123.11703	5.7
124.12048	0.2
124.81084	0.2
127.03790	0.2
131.15752	0.2
131.61591	0.2
133.10130	0.5
135.04410	13.4
136.04776	0.3
137.05952	0.3
145.02846	11.2
146.03220	0.3
151.07568	0.2
151.11156	0.7
163.03896	100.0
164.04225	2.2
169.12225	1.7
181.04956	0.3
182.35674	0.2
186.05492	0.2
187.13268	0.6
274.81870	0.2
303.15918	0.2
307.26257	0.3
319.08044	0.5
325.09232	0.7
325.16333	1.2
325.27475	0.2
331.15207	0.8
337.09271	0.5
343.17343	0.3
349.16241	0.4
355.10376	0.3
361.18433	0.5
377.10849	0.2
428.41858	0.2
505.20670	13.6
506.21036	0.8
523.21594	0.2
701.49255	1.0
702.49304	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40259	0.3
56.05023	0.5
57.07063	0.3
58.06586	0.6
60.08162	6.3
62.51428	0.2
69.49749	0.2
69.50034	1.1
69.65314	0.2
71.07375	2.7
74.28700	0.2
81.07057	0.3
81.24922	0.2
86.09705	27.9
87.10025	0.3
98.98471	2.7
102.31513	0.3
104.10187	0.3
104.10743	2.6
113.71779	0.2
125.00000	17.8
145.98508	0.2
184.07338	100.0
185.07669	1.0
382.56564	0.4
416.68793	0.3
573.48700	0.6
702.46918	10.1
703.47272	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	0.4
69.03428	0.3
69.07091	0.2
69.34489	1.1
79.05504	0.5
81.03436	0.6
81.07053	0.7
83.04969	0.2
85.06519	0.3
91.05486	0.4
91.54008	0.2
92.29830	0.2
93.07050	0.9
95.04987	0.4
95.08607	0.5
97.02878	0.2
105.07045	0.5
107.01078	0.9
107.04943	0.2
107.08596	0.8
109.02879	0.5
109.06562	0.3
109.10175	0.4
112.61728	0.2
117.03411	0.3
119.08609	0.4
121.06528	0.3
121.10198	0.4
123.11678	0.2
127.03959	0.4
131.04950	0.3
135.04428	0.6
135.08076	1.3
137.05942	1.7
137.09561	0.4
138.06293	0.3
143.93144	0.2
145.02864	0.4
145.06546	0.3
147.11699	0.2
153.09140	0.3
161.06033	0.3
161.13503	0.3
163.03885	3.8
163.07576	0.3
164.04268	0.8
165.05482	0.2
165.09114	0.4
181.05003	0.5
181.08575	0.5
199.09674	0.5
201.05252	0.7
202.02388	0.9
216.07541	3.1
216.09457	0.2
217.08359	0.3
219.10213	0.3
229.04799	0.3
268.62936	0.3
271.06128	0.7
319.08051	0.6
329.06479	0.4
344.27841	0.3
347.07352	2.7
363.06995	1.1
363.11560	0.2
365.08386	6.4
366.08899	0.3
407.09561	1.9
421.11008	1.6
437.10641	0.6
449.09991	0.3
463.12021	0.5
467.11493	0.3
475.12311	0.3
493.13177	1.7
509.12662	6.1
509.19980	0.4
510.13510	0.3
540.10358	0.4
541.10413	1.5
590.39063	0.2
702.49652	0.9
703.22015	100.0
704.22241	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	703.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45498	0.3
54.69854	0.3
55.05498	0.3
58.37384	0.3
67.05508	0.5
81.07022	0.2
93.07074	0.3
133.10210	0.3
141.67744	0.3
144.08049	0.4
181.27637	0.4
184.07353	0.5
185.04282	0.8
190.80431	0.3
202.16029	0.5
203.05322	2.3
209.10788	0.8
211.08707	0.5
213.50072	0.3
222.11418	0.6
223.12393	0.7
224.13164	0.8
225.13843	0.8
235.12531	0.5
237.10303	0.5
237.13898	2.4
238.14648	0.9
239.08209	0.6
243.09470	0.3
252.12567	0.4
259.07782	1.4
265.13467	1.2
266.14206	0.8
267.07776	0.7
281.09210	0.5
286.13766	0.3
299.10452	0.7
300.13611	0.6
305.08554	0.6
313.12024	0.4
325.15549	0.8
341.11395	1.2
347.09409	1.5
365.10580	2.9
421.13165	1.1
435.18207	0.4
449.19904	0.3
457.16199	0.4
482.03381	0.3
523.23322	0.8
541.33496	23.4
542.34125	1.0
551.23236	0.9
565.24603	0.6
566.24982	0.5
593.23834	0.8
621.23279	0.4
635.25061	0.3
653.26019	16.6
654.26239	1.5
685.28583	2.6
686.28662	0.4
703.38708	100.0
704.39209	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	704.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78981	0.2
54.43914	0.2
55.01848	0.2
55.05501	0.3
57.07050	0.7
67.05505	0.4
69.67620	0.5
69.68009	0.6
71.08606	0.5
81.07035	0.3
83.08616	0.2
85.10165	0.3
89.06041	2.2
93.07041	0.4
95.08569	0.4
98.23395	0.3
98.98446	2.0
118.06540	0.8
119.08566	0.3
125.00005	6.1
131.08502	0.3
132.08014	0.5
133.08595	1.3
144.08078	8.9
145.08856	0.4
146.09583	0.3
158.09648	3.1
159.10413	1.3
160.11188	0.5
168.06029	0.2
172.11209	2.2
176.14346	8.7
177.11273	0.5
184.07332	0.5
202.15895	82.8
203.16248	2.0
220.16968	9.1
229.21413	0.4
300.13574	100.0
301.13956	2.2
414.88123	0.3
449.00873	0.2
489.84207	0.3
686.41565	0.8
704.42389	6.1
705.41681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.9
56.73301	0.1
57.07059	0.2
58.06616	0.5
58.77113	0.1
60.08165	6.9
67.05517	0.2
69.20441	0.3
69.20844	0.6
71.07373	4.0
79.05507	0.2
80.05019	0.1
81.07069	0.3
86.09708	31.5
87.10017	0.2
93.07030	0.3
95.08610	0.3
98.98467	3.3
104.10742	2.2
121.21771	0.1
125.00005	22.5
141.35307	0.1
143.01114	0.2
184.07341	100.0
185.07700	0.9
197.99435	0.1
300.13483	0.1
376.89902	0.2
496.34250	0.2
579.48199	0.2
650.45270	0.1
704.45026	7.7
705.45142	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76682	0.2
53.03928	0.4
55.01855	0.3
55.05516	0.2
57.65676	0.2
65.03938	0.8
67.05504	1.0
69.03435	1.2
69.80009	0.5
71.04992	1.7
72.32568	0.3
77.03910	0.4
79.05482	2.7
81.03423	0.9
81.07045	2.1
83.01339	0.4
83.04977	0.8
85.02900	2.4
91.05479	1.1
93.07043	1.1
95.04964	5.7
95.08597	2.5
97.02879	3.7
97.06564	0.2
99.04433	1.8
105.04514	0.4
105.07030	2.5
107.04951	1.4
107.08570	0.5
108.02090	0.6
109.02831	1.1
109.06519	3.0
109.10129	0.2
111.04439	0.8
111.08076	12.0
121.06486	0.4
123.04406	1.3
123.08047	2.4
125.02328	0.2
125.06014	0.6
127.03905	55.9
128.04243	0.6
131.04919	0.3
133.06473	2.4
135.04407	0.4
135.08029	0.4
137.05989	0.4
141.05464	1.2
149.05978	0.3
151.03897	46.2
151.04959	2.9
151.07503	4.3
152.04213	0.7
153.05449	1.1
155.07002	0.6
161.05974	1.0
163.03900	0.7
169.04929	1.2
169.08594	0.9
179.07019	16.4
180.07353	0.4
181.04977	0.3
194.23201	0.2
197.08072	100.0
198.08395	2.4
253.45114	0.3
293.92010	0.3
313.09183	0.6
347.11279	0.5
359.13358	0.7
365.12369	0.5
623.44739	0.2
697.35724	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
53.96835	0.2
55.05516	0.2
67.05498	0.9
69.03447	1.0
69.07052	0.5
71.04980	0.5
73.31272	0.2
79.05476	0.7
81.03416	0.9
81.07056	1.3
83.04954	0.2
83.08566	0.2
85.02881	0.7
91.05480	2.1
93.07056	2.3
95.04962	1.6
95.08619	0.8
97.02892	1.0
97.06513	0.6
99.04462	0.2
103.05461	1.1
103.87731	0.2
104.69450	0.2
105.04500	0.3
105.07018	1.0
106.06543	0.5
107.04986	0.2
107.08593	0.7
109.02870	0.3
109.06474	0.2
109.10146	0.8
110.52967	0.2
111.08056	0.3
115.05447	0.4
119.08607	0.6
121.06506	3.6
121.10133	0.7
122.06024	0.3
123.04417	0.5
123.08063	0.3
123.11713	0.4
124.03927	0.3
125.05955	0.4
125.09591	0.2
130.06537	0.6
131.08589	0.3
132.55702	0.2
133.10161	0.5
135.04391	0.3
136.68466	0.2
137.05994	0.4
137.09656	0.4
142.06563	1.0
143.07298	1.5
143.10664	0.4
144.08089	0.9
145.10115	0.3
146.05983	0.4
147.11740	0.4
149.05972	0.9
151.03876	0.5
151.07518	0.2
152.07124	0.3
157.10129	0.3
159.11710	0.4
163.03880	1.2
165.09125	0.3
167.07269	0.4
168.08099	2.4
169.07610	100.0
170.07983	2.5
171.11835	0.2
173.02342	0.3
174.05524	0.3
181.07695	0.3
182.08383	1.9
183.09164	1.0
184.07541	0.5
184.09846	0.3
184.11288	0.5
185.10739	0.5
187.03905	0.5
192.08069	0.4
195.09123	1.1
199.03909	0.2
199.27649	0.2
203.07283	0.2
207.09163	0.3
211.14491	0.2
213.05453	0.2
219.09198	0.9
220.07613	1.3
221.08391	0.4
221.10735	0.8
229.68130	0.2
235.08607	1.2
237.10214	2.4
247.08723	1.9
247.12375	0.5
248.07211	1.3
248.09341	0.3
249.10231	0.3
250.07426	0.8
251.08055	0.3
263.08191	3.0
264.06458	0.3
265.09729	21.5
266.10263	0.9
266.74146	0.2
272.10773	0.3
281.09238	0.6
287.05499	0.5
289.13342	0.6
291.15030	0.6
299.11813	0.3
305.12964	0.4
307.14368	1.2
311.12570	0.3
317.12799	1.6
335.13892	54.7
336.14206	2.5
355.15436	1.6
356.15723	0.3
363.13382	45.9
364.13583	1.4
373.16528	0.9
449.86798	0.3
456.31400	0.2
491.33948	0.4
497.19272	2.5
509.27795	0.3
525.18689	6.5
526.19373	0.3
706.36676	0.7
707.36456	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	0.9
57.07042	0.4
58.06606	0.5
59.07372	0.2
60.08163	7.0
67.05482	0.2
71.07369	3.9
79.05487	0.2
81.07034	0.3
82.25565	0.1
85.04504	0.1
86.09703	35.0
87.04468	1.2
87.10014	0.4
98.98464	3.9
104.10741	2.8
104.11422	0.1
125.00001	23.5
141.39104	0.1
143.01068	0.2
164.07091	0.3
184.07335	100.0
185.07716	1.2
187.60864	0.1
190.08720	0.1
543.35718	0.2
544.35211	0.6
558.83521	0.1
604.94965	0.1
613.75122	0.2
683.33832	0.2
706.47650	8.7
707.47986	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03403	0.3
70.70763	0.4
70.99851	0.3
82.99889	1.7
85.02914	1.0
85.09323	0.3
94.99872	0.5
97.02914	0.7
101.00874	6.2
102.00933	0.5
109.02940	0.3
113.00880	1.1
115.02421	0.4
119.01920	8.4
122.01381	3.7
122.51458	1.0
127.02406	2.3
127.03897	0.5
128.01381	0.6
128.13542	0.3
129.03969	0.4
131.01913	6.5
131.51967	0.5
133.03444	0.4
137.00934	0.6
137.01909	3.6
137.02908	0.5
137.51974	0.9
139.02406	1.0
143.01888	19.7
143.52020	0.9
144.01978	0.8
145.03477	6.6
146.02437	0.4
147.01471	0.4
149.01878	1.8
152.02431	1.7
152.52544	0.7
153.03934	0.4
155.01889	10.9
157.03500	3.2
158.02429	1.0
161.02957	13.6
163.04524	0.5
164.02446	0.6
167.01866	8.3
169.03461	2.5
171.05013	2.2
173.02965	16.7
173.53062	1.0
174.03003	0.7
175.04503	1.0
177.02492	0.4
179.01796	3.7
179.03166	0.4
181.03456	0.6
182.03502	0.6
184.04599	0.3
185.02934	32.0
186.03188	1.1
187.04482	3.4
189.06165	0.4
191.03996	0.6
194.03488	1.2
194.53604	0.5
195.28004	0.3
197.02943	13.6
198.03212	0.5
199.04482	0.9
203.03848	10.8
203.53989	0.5
204.04074	0.5
209.02968	1.4
212.04543	1.3
215.04018	7.9
219.84624	0.3
221.03111	0.4
221.04997	0.7
224.04480	1.3
227.03987	7.7
234.02998	0.3
239.04137	1.0
243.01933	0.5
245.05054	100.0
246.05305	3.7
254.05591	1.1
254.55614	0.4
257.05060	5.4
263.06122	12.4
263.08945	0.8
275.06097	12.0
276.06281	0.5
284.06641	6.2
284.56802	1.8
285.06448	0.5
293.07196	3.0
305.07153	12.2
306.07294	0.7
317.07101	0.9
335.08182	4.0
347.08105	1.0
351.42361	0.3
365.09357	47.5
365.59427	1.8
366.09531	2.0
383.10486	2.1
406.11707	0.3
407.10370	0.6
425.11374	40.5
426.11563	2.0
437.11383	2.6
455.12372	2.9
459.22797	0.4
485.13620	0.9
707.17865	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
55.05487	0.4
65.03941	1.4
67.05492	1.3
69.03441	0.3
70.22466	0.8
71.24295	0.3
79.05483	1.3
81.03437	0.4
81.07068	1.5
83.04955	0.4
85.02903	0.3
89.03925	0.5
91.05485	0.8
93.03400	0.4
93.07053	1.1
94.06556	1.8
95.04964	1.6
95.07369	0.3
95.08633	0.6
96.08136	0.5
97.02881	0.3
103.05472	0.6
105.07065	1.1
106.06539	0.5
107.04945	1.5
107.08599	0.7
108.05257	0.4
108.08114	1.0
109.06505	0.6
109.10140	0.6
110.03648	0.9
110.09694	0.6
111.04433	1.0
111.08041	0.4
116.04981	1.3
117.07009	0.4
119.08629	0.8
120.08112	0.7
121.02851	0.5
121.06506	0.6
121.10175	0.5
122.06032	5.1
123.11701	0.5
124.07570	1.7
125.05984	1.2
125.09652	0.4
126.06384	0.4
127.03965	0.5
131.04886	0.8
131.08632	0.4
133.06418	0.5
134.06015	0.5
135.04420	0.8
136.07544	2.6
137.05957	2.3
137.09685	0.4
138.09145	0.9
140.07054	0.9
144.04468	2.6
145.02881	0.4
146.05948	0.4
147.11790	0.4
148.07524	0.6
149.05954	0.7
149.09538	0.4
150.05481	3.8
151.03893	0.8
151.07622	0.5
152.07062	1.0
153.05481	3.6
154.05811	1.1
159.08020	0.5
160.07541	0.9
161.05957	0.6
161.09653	0.4
162.05476	0.9
163.03909	3.4
163.07472	0.4
164.04269	0.4
164.07074	0.8
165.05496	0.9
166.08643	0.6
167.07103	1.8
167.08316	0.4
168.06479	0.8
170.09636	0.5
171.11775	0.3
172.03946	13.3
173.13326	0.4
174.05510	0.4
175.08714	0.4
177.05484	0.6
181.08585	0.3
182.08176	2.1
183.08972	0.5
186.09137	0.8
187.08730	0.6
188.07037	0.8
189.10283	0.6
190.05028	1.6
193.08640	0.4
194.08214	0.3
197.08070	0.5
200.10745	0.4
201.10172	1.6
202.10992	0.8
203.11781	1.6
204.06560	18.4
211.08667	1.1
212.07083	0.4
212.09253	0.5
213.10233	1.5
214.08775	0.7
215.08167	1.2
215.11818	0.8
217.09772	0.9
217.13261	0.4
227.11818	0.8
228.10274	1.0
229.09737	8.0
230.10426	5.2
231.11266	2.1
232.11916	0.4
237.10126	0.5
239.08147	0.7
241.09697	1.5
243.11232	3.2
244.12024	2.6
245.09314	0.6
245.12846	1.3
247.10774	1.1
250.96994	0.3
253.08607	0.7
254.10587	1.0
255.11243	1.4
256.09698	1.4
257.09219	1.3
257.12857	4.6
258.09995	4.3
259.07156	0.6
259.10855	4.6
260.11478	0.7
261.12326	0.6
267.10480	0.4
271.10800	3.5
272.11533	5.1
273.12323	13.0
274.10654	1.1
275.10272	1.9
276.07538	0.4
277.08408	0.4
281.11847	0.4
283.10767	0.7
287.05725	0.5
287.13858	1.0
288.12286	0.7
289.11798	9.5
290.12561	3.7
295.10178	0.4
297.12244	0.7
299.10364	2.1
300.11105	6.3
301.11847	5.3
302.12244	0.4
303.13269	0.6
305.15002	1.2
307.09601	1.0
308.09961	1.0
311.10257	0.3
315.13382	6.0
316.11563	0.6
317.11349	0.5
318.12115	4.8
319.12805	1.2
320.10135	0.4
325.11749	2.3
326.10965	0.9
333.14435	100.0
334.14789	3.5
339.12326	4.1
340.12570	4.2
349.19855	0.5
351.15518	18.1
352.12460	0.5
357.14432	2.0
358.13800	1.0
359.14600	0.6
490.19659	2.0
492.17432	0.7
504.17719	1.3
518.19092	0.8
550.21857	6.5
551.22522	0.6
639.24951	0.4
657.25159	1.0
700.43542	0.4
707.23688	1.6
707.37683	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	707.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.1
71.05013	0.6
71.45010	0.6
74.39886	0.5
79.05497	2.6
81.03427	0.7
81.07058	1.2
82.06579	0.7
85.02896	0.5
85.06567	0.6
91.05482	1.6
93.07035	4.0
94.06543	4.0
95.04993	1.8
95.07328	3.4
95.08604	0.6
96.08135	7.5
97.02892	0.8
97.06540	1.5
103.05509	1.3
105.07047	1.2
107.04937	0.6
107.08714	0.7
108.08122	7.9
109.02879	0.7
109.08942	0.5
110.09676	13.4
110.10435	0.7
120.08089	7.4
121.10123	1.1
122.06013	3.4
124.03977	0.8
124.07584	0.9
127.03933	1.0
131.04910	1.2
136.07571	5.6
137.05977	1.9
138.09151	14.2
147.11714	0.7
148.07585	1.6
150.09148	1.6
153.01863	1.5
161.06000	0.7
162.09084	0.9
163.03941	1.9
163.07513	0.8
163.11153	0.7
164.07117	0.6
165.09186	0.7
166.08620	15.5
172.03909	0.5
174.03894	0.6
189.03813	0.7
208.10063	0.7
209.10710	1.1
221.10663	1.4
223.08745	0.7
223.12265	1.4
224.09433	0.9
225.10278	1.7
226.10963	0.6
235.08530	3.4
236.09369	4.3
237.10222	17.2
237.12546	1.0
238.10889	1.4
239.11868	1.7
247.08742	1.3
248.09509	1.9
249.10231	18.2
250.07376	0.7
250.08385	0.7
250.11032	5.0
251.08255	1.9
251.11774	7.5
252.12634	1.2
253.09676	4.7
255.11273	1.3
259.09668	0.9
261.10223	3.0
262.10867	0.8
263.08237	2.3
263.11703	3.4
264.08923	8.1
265.09732	15.5
266.10388	3.0
267.11343	6.8
268.11856	1.0
269.09280	0.8
271.06012	0.8
275.08173	0.7
276.09021	1.8
277.09720	14.1
277.12692	1.1
278.10468	7.2
279.08008	1.1
279.11252	12.5
280.08817	0.9
280.12070	4.0
281.09274	2.9
281.12827	2.2
282.10013	0.9
283.10889	1.7
284.11630	0.7
287.05539	7.1
289.09537	1.0
291.07632	2.3
291.11310	3.6
292.08585	1.2
292.12103	2.5
293.09250	29.7
293.12836	6.6
294.10028	3.6
294.13028	1.0
295.10776	3.2
295.13980	0.9
296.11545	0.8
297.08847	1.9
297.12173	1.2
304.08444	1.2
305.09180	6.1
306.09937	2.6
307.10751	10.0
308.07980	0.8
309.08667	2.4
309.12366	5.2
310.09467	0.7
310.12949	1.0
311.10254	1.8
311.13815	1.2
312.11044	2.8
313.11865	1.7
314.12915	1.4
319.10858	3.8
321.08792	0.8
321.12381	1.2
322.09476	0.9
323.10251	4.7
324.11115	2.5
324.14828	0.6
325.11771	4.5
326.12756	1.5
327.13440	5.0
328.14731	1.6
330.12582	0.7
333.08698	4.2
335.10461	0.8
337.11633	7.3
337.14709	0.6
338.12637	2.2
339.13443	16.6
340.14383	1.1
341.11572	1.2
342.12476	2.1
343.12961	1.1
344.13776	0.7
347.10452	1.1
351.09735	14.9
352.10254	0.9
352.14285	1.3
353.11368	2.2
353.15311	1.8
354.12213	1.9
355.13028	2.9
356.13858	3.4
357.14658	1.2
358.15463	0.9
359.16342	0.7
364.10269	0.6
365.11337	7.4
366.12036	3.4
367.13019	1.6
368.09854	1.0
368.14124	1.2
369.10812	1.6
369.14813	1.5
370.11362	3.2
370.15573	2.1
371.12042	3.5
372.13202	1.1
372.17303	1.6
380.13818	0.8
382.11655	3.0
382.15811	1.2
383.12396	6.4
384.13135	3.9
384.17523	0.8
385.13895	7.2
385.17914	0.7
386.14883	1.3
387.15921	1.0
388.16745	1.1
390.18109	1.0
397.13947	20.9
398.14835	5.1
399.15738	2.3
400.16556	2.5
402.18445	0.9
412.12668	0.9
414.18524	0.8
416.15875	1.4
418.17627	5.8
426.14505	2.5
428.16168	2.3
432.19089	1.0
433.19550	0.8
434.17493	0.8
438.10172	0.9
442.13489	2.1
442.18427	1.2
444.15430	2.6
446.17087	10.5
449.18970	0.7
454.13763	7.5
458.16980	0.9
460.19199	3.0
462.20175	2.0
470.12604	1.4
472.14792	13.2
473.15536	0.7
474.16620	1.9
475.17261	0.8
476.18164	1.2
477.19147	1.5
478.19446	4.4
486.16925	0.9
490.19791	3.5
492.17139	8.5
493.17682	0.8
500.18539	0.8
504.17572	4.4
518.19202	11.1
519.19769	1.9
520.20557	0.8
522.22162	1.8
524.23999	9.2
536.20483	4.4
550.21826	100.0
551.22559	45.1
552.22693	3.5
568.22876	43.7
569.23383	2.7
607.21704	2.1
611.25061	0.7
625.22864	6.0
639.24426	4.6
643.23413	0.7
657.25519	23.6
657.36542	1.4
658.25470	1.6
675.26611	8.6
707.27759	4.1
707.38116	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	707.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73168	0.1
55.05523	0.1
67.01865	0.4
67.05511	0.1
68.99760	0.4
69.03426	0.1
69.79478	0.1
71.81030	0.1
79.05479	0.2
81.03410	0.1
81.07042	0.2
89.03932	0.1
89.89538	0.1
90.75623	0.1
91.05474	0.2
93.07053	0.2
95.04917	0.1
95.08614	0.1
97.02918	0.1
105.07026	0.2
107.04928	0.1
107.08607	0.2
107.43823	0.1
109.02919	0.1
111.00866	0.1
117.03362	0.2
119.08556	0.1
128.92007	0.1
129.01897	0.1
133.10092	0.1
135.04419	1.4
137.02359	0.5
139.05309	0.1
145.10091	0.1
147.11630	0.1
153.01825	4.6
159.11659	0.1
161.02322	0.7
171.02884	0.6
179.03426	0.3
185.06026	0.1
189.05489	0.1
203.03383	0.1
213.05467	0.1
219.06448	0.2
241.04987	0.6
245.04483	0.2
259.06104	0.1
259.20535	0.1
263.05350	0.2
269.04401	0.4
271.06073	0.3
286.04404	0.1
287.05496	100.0
288.05820	3.7
299.05478	0.2
315.92267	0.1
329.06436	0.1
707.30042	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	709.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.7
55.78442	1.0
57.03432	1.3
67.05495	1.8
69.03421	3.1
69.07069	4.5
79.05497	4.1
81.03410	1.5
81.07049	4.6
82.07388	1.4
85.02904	2.0
91.05482	2.8
93.07047	2.9
94.06563	3.0
95.04967	2.8
95.07351	1.9
95.08604	2.7
96.08114	2.4
97.02879	1.1
101.82426	1.0
105.07030	2.6
107.04955	1.8
107.08588	1.9
108.08096	2.9
109.02912	1.1
109.06566	1.1
110.09702	5.4
111.08090	4.0
111.11738	1.2
112.08399	1.3
115.05442	1.1
120.04473	2.6
120.08093	5.0
122.06023	2.1
122.09696	1.2
123.08071	1.3
123.11664	1.1
124.07601	1.5
127.03915	21.0
128.04242	3.6
129.04361	2.1
132.08063	1.1
135.08047	1.1
136.07536	3.1
137.05956	3.2
138.09125	10.7
145.02888	1.7
146.06020	1.7
147.04427	1.6
148.07506	1.5
151.03880	3.1
151.07585	1.2
152.04230	1.2
152.06990	1.4
153.05583	1.3
162.10237	3.4
163.03900	3.4
163.07506	1.6
164.07060	1.7
165.05511	1.9
166.08641	11.1
167.06856	1.1
167.98038	1.0
170.09596	1.0
172.03899	2.3
175.07471	1.3
176.07112	1.1
177.05551	1.9
179.07043	4.4
180.07376	2.4
188.08192	19.1
190.05013	4.0
194.07964	1.2
194.99319	1.0
195.06602	1.0
197.08096	24.9
198.08432	10.5
199.08614	5.2
204.06557	2.7
211.40445	1.1
225.10333	2.5
226.10892	1.3
227.11862	1.7
237.10251	3.8
239.08084	1.6
239.11847	1.8
249.10220	4.4
250.10875	1.5
251.08217	1.3
251.11813	3.9
252.12521	1.3
253.09683	3.2
255.11250	1.3
262.11154	1.9
263.11749	3.6
265.09729	7.1
266.10443	1.8
267.11264	3.4
269.09448	1.1
269.12750	1.5
269.77344	1.1
271.10800	1.6
277.09760	2.3
278.10324	2.3
278.15121	1.5
279.07648	3.9
279.11237	9.3
280.11996	2.5
281.09201	3.7
281.12732	2.2
282.09653	1.3
283.10736	6.7
285.12390	2.5
287.14011	1.9
289.09744	5.6
291.11200	2.8
293.09491	1.9
293.12848	5.2
294.09927	4.3
295.10599	3.1
295.14032	1.1
296.11536	2.4
297.12347	1.4
299.10379	2.1
303.13443	2.7
306.09586	2.0
307.10690	2.0
309.12363	3.2
311.10245	5.8
311.14029	3.1
312.10977	4.3
313.11697	2.7
314.12451	1.2
322.13956	34.4
323.10370	2.2
323.14139	3.0
324.11108	2.3
325.11795	4.5
326.12610	4.9
327.13400	8.0
335.10236	11.4
339.13394	50.9
340.10147	1.8
340.13818	3.3
349.11954	1.3
349.20071	1.4
350.20435	1.6
354.12094	4.5
355.12888	16.3
367.12857	37.1
368.13297	1.7
386.14728	2.9
414.14377	1.5
415.14926	2.2
432.15463	1.4
445.57401	1.1
447.17432	1.4
460.18597	2.3
474.16489	1.5
479.20273	2.7
488.18130	6.6
492.21097	5.3
520.20758	100.0
521.21204	6.2
529.33301	1.4
538.21887	2.0
552.23413	66.0
553.23535	4.0
627.24658	13.2
628.24432	1.3
709.26215	5.4
709.39307	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	709.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.1
67.01861	0.4
67.05493	0.2
68.99775	0.3
69.03441	0.1
70.03992	0.1
70.04337	0.1
72.54082	0.1
76.05689	0.0
79.05488	0.2
81.03419	0.2
81.07036	0.2
83.31586	0.1
89.03934	0.1
91.05462	0.1
93.07046	0.2
95.08602	0.2
97.02884	0.1
105.07038	0.1
107.08570	0.1
107.97581	0.1
109.02851	0.1
109.10128	0.1
111.00797	0.1
111.04430	0.1
117.03355	0.1
121.10133	0.1
127.03900	0.1
129.01782	0.1
135.04422	1.3
136.61201	0.0
137.02330	0.5
142.05957	0.1
153.01817	4.0
161.02327	0.6
171.02869	0.4
179.03354	0.3
189.05446	0.1
203.03392	0.1
213.05444	0.1
216.31042	0.1
219.06584	0.2
231.06505	0.1
241.04884	0.5
245.04434	0.1
259.06067	0.1
263.05420	0.1
268.98721	0.1
269.04404	0.3
287.05484	100.0
288.05814	3.4
364.78827	0.1
373.15826	0.1
708.94647	0.1
709.32068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	1.3
55.01866	1.3
55.05514	8.6
57.03426	3.4
61.02927	10.6
64.85130	0.9
67.05506	16.3
69.03426	2.7
69.07066	7.5
71.04984	1.8
73.02901	3.7
79.05495	25.0
79.24261	0.9
80.58437	1.0
81.03407	1.7
81.07063	17.3
83.04958	1.1
83.08621	3.3
85.02906	11.6
85.06551	1.9
91.03964	9.3
91.05480	22.3
91.34241	0.9
93.07049	31.2
95.04987	2.3
95.08612	14.4
96.38543	1.0
97.02911	6.3
97.06521	3.0
97.10188	2.1
97.33591	0.8
99.04447	1.2
99.08114	1.3
99.29147	0.8
100.98779	0.9
105.07032	23.2
107.08596	17.4
109.10149	7.0
111.08100	1.0
117.07016	7.0
119.08570	19.9
121.06508	1.1
121.10146	15.9
123.11728	1.9
127.03927	4.1
129.07021	3.7
131.08572	10.4
133.10127	20.2
135.08031	1.1
135.11685	14.7
143.08623	4.7
145.04956	4.6
145.10127	10.0
147.11684	17.6
149.09612	1.6
149.13293	7.8
153.01836	3.6
157.10129	4.5
159.11702	10.1
161.09660	1.2
161.13260	11.0
163.03903	1.1
163.06055	6.1
163.14862	2.8
171.11687	5.8
173.13251	4.8
175.11234	1.1
175.14841	6.4
177.12758	1.5
185.13260	5.3
189.12849	1.6
199.14853	4.7
201.16397	2.3
211.13095	1.2
217.19511	1.4
222.11244	1.4
231.21048	3.2
241.08742	1.0
241.19528	14.2
259.20581	37.8
260.20731	1.3
277.21695	4.8
286.10684	1.0
315.23660	1.3
319.15439	1.1
326.63757	0.9
333.24283	7.9
351.25293	100.0
352.25623	3.8
363.24902	1.3
367.22961	1.5
375.25296	2.5
385.23611	1.3
403.24973	1.6
417.26266	1.4
429.43793	1.0
441.26199	4.6
451.21338	1.2
453.33774	1.6
459.27274	2.9
477.28702	4.5
495.29471	8.8
710.34637	2.7
711.31311	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	711.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24130	0.3
67.05511	0.6
69.03423	0.6
69.07074	0.4
69.42329	1.0
81.03416	1.1
81.07063	1.1
84.08166	0.4
85.02905	0.7
85.06520	0.4
86.09718	0.3
86.87915	0.3
89.03904	0.4
91.05489	0.7
92.27692	0.4
93.07021	0.8
94.04201	0.5
95.04973	0.8
95.08624	0.5
97.02905	0.5
99.04414	0.4
103.05459	1.0
105.07011	0.9
107.04952	1.1
107.08571	0.4
109.02894	0.7
109.06494	0.3
110.49492	0.3
111.08076	0.3
115.05411	0.3
115.76422	0.3
117.03397	0.5
117.07005	0.4
119.04915	0.4
119.08588	0.5
121.10191	0.5
122.03643	0.8
123.04467	0.4
123.08011	0.4
125.09613	0.3
131.04916	2.0
133.10075	0.5
135.04396	0.9
135.11647	0.4
137.05978	9.0
145.02798	0.9
145.06473	0.5
145.10149	0.6
147.04378	0.9
147.11656	0.3
149.05986	0.5
151.03882	0.6
153.01805	0.7
161.06020	0.5
163.03902	6.6
163.07629	0.5
164.06995	0.4
165.05550	0.5
165.09094	0.4
167.07037	1.9
173.05928	0.5
175.03659	7.9
175.07581	0.8
177.05431	1.2
181.04965	1.6
187.07523	0.4
191.06963	0.6
193.08514	0.5
200.66103	0.3
201.03502	0.3
203.03203	0.3
204.03992	0.4
205.08537	0.5
209.08133	0.4
245.11360	0.4
254.76746	0.3
256.10776	0.3
279.08484	0.7
286.08249	0.4
287.05850	0.3
351.21185	0.3
357.13293	0.8
361.12534	0.8
371.17108	0.4
387.14120	0.9
407.14609	0.7
409.12662	0.5
410.12979	0.4
421.12537	0.6
438.13013	0.9
439.13544	1.0
440.14502	0.5
453.15134	0.9
471.16559	0.4
485.17615	1.1
486.32974	1.1
487.33536	0.6
495.16068	0.7
499.15927	1.5
502.32544	0.4
513.17279	3.2
514.18176	1.6
530.32166	1.6
531.36755	0.8
579.21497	0.3
635.20044	0.3
693.38208	2.7
710.40515	1.6
711.25775	100.0
711.40253	24.1
712.26575	8.1
712.40070	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68660	1.2
58.76856	1.0
67.05482	1.7
69.03410	2.5
72.28411	1.1
81.03414	1.8
81.07050	1.4
85.02906	3.9
85.78725	1.0
87.70329	1.0
91.05479	2.1
95.04963	1.7
95.08640	1.6
97.02883	2.6
97.06541	2.2
99.04465	1.2
102.59660	1.0
107.08617	1.7
109.02863	2.7
117.33359	1.2
119.08566	1.8
127.03904	2.2
137.05942	1.3
148.79979	1.1
153.01810	3.6
178.35042	1.1
205.07019	2.4
205.57991	1.2
230.04243	2.9
303.45126	1.2
342.23453	1.3
395.12415	1.1
452.21460	1.4
467.18817	3.4
510.29242	1.3
589.18042	1.6
651.36938	1.6
711.29553	100.0
711.39960	10.7
712.30157	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	711.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01860	1.3
55.05525	2.8
57.03427	1.7
57.07066	0.5
59.52881	0.5
64.57395	0.5
65.03946	0.9
67.01864	8.9
67.05504	10.3
68.99789	3.7
69.03432	6.0
69.07072	2.3
69.19035	1.8
69.19434	1.2
71.04986	1.3
76.35201	0.6
79.05492	7.8
81.03411	9.2
81.07055	11.4
83.04964	1.1
83.08607	1.3
85.02901	4.0
85.06528	0.6
89.03949	0.8
89.17014	0.5
91.05478	7.5
93.07044	8.9
95.04980	3.2
95.08604	7.2
97.02891	4.4
97.06526	0.7
97.10164	0.9
99.04456	1.4
105.04520	0.7
105.07021	5.3
107.04941	1.3
107.08575	5.7
109.02864	2.2
109.06509	0.8
109.10150	3.4
111.00790	1.6
111.04432	2.0
115.05481	0.7
117.03375	1.6
117.07027	2.5
119.08574	3.4
121.10141	4.5
123.04474	3.7
123.11700	1.5
125.02341	1.5
125.09565	0.6
127.03900	2.0
129.01822	1.8
129.07001	1.5
131.08569	4.0
133.10127	2.7
135.04382	4.8
135.11674	3.3
137.02348	0.8
137.05983	2.5
137.09665	0.6
139.03902	0.6
143.08546	0.9
145.02878	2.9
145.05000	0.6
145.10123	3.2
147.11713	1.2
149.13220	1.5
151.03891	1.4
153.01826	98.7
154.02129	1.0
155.08495	0.5
157.10136	1.1
159.11691	2.5
161.06003	0.6
161.13223	1.1
163.03902	29.9
164.04362	0.7
165.01874	3.3
167.03368	0.9
169.10106	0.6
171.02890	45.7
171.11667	1.2
172.03255	0.9
173.13246	1.7
177.01823	1.3
179.03380	4.9
183.02901	2.1
187.03893	1.6
187.14825	0.6
191.03394	1.4
193.04944	0.6
195.02892	13.3
205.04869	0.7
209.13232	0.5
215.03380	0.5
219.02838	2.3
233.04564	0.5
235.13376	0.7
243.02902	0.9
243.20972	0.7
247.05977	1.1
259.20557	1.1
261.04025	3.3
261.22141	2.5
271.06113	1.3
277.21805	0.7
287.05536	1.5
288.05890	1.1
289.07056	100.0
290.07462	2.8
291.23236	0.8
301.07089	1.5
303.22983	0.6
313.06906	3.0
323.23648	0.5
331.08133	4.4
355.08133	1.6
369.23929	1.2
379.07996	1.3
387.25272	0.8
397.09192	4.0
405.25949	1.2
420.93198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.1
56.94762	0.1
67.01858	0.4
67.05497	0.3
67.21374	0.1
68.99805	0.3
69.20601	0.5
69.21026	0.2
79.05486	0.3
81.03407	0.2
81.07070	0.2
87.46989	0.1
89.03910	0.2
93.07055	0.3
95.08599	0.2
97.02900	0.1
98.22702	0.2
107.08615	0.1
109.10175	0.1
117.03394	0.1
119.08549	0.2
127.03835	0.1
135.04414	1.4
137.02325	0.5
150.08926	0.1
150.20770	0.1
153.01819	4.3
157.94257	0.1
161.02260	0.6
168.09402	0.1
171.02908	0.6
179.03404	0.2
184.07307	0.2
231.06551	0.1
241.04994	0.6
269.04431	0.5
287.05481	100.0
288.05826	2.8
289.06680	0.2
328.45624	0.1
564.73340	0.1
711.33337	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.2
57.72588	0.6
65.03938	1.3
67.05508	1.0
69.03433	1.0
79.05494	6.6
81.03413	1.5
81.07047	1.9
85.02905	0.9
86.09705	0.5
86.93639	0.5
89.03921	1.3
91.05484	7.0
93.07047	1.0
94.04189	3.4
95.04971	3.0
97.02923	0.9
103.05463	1.8
105.04486	0.5
105.07025	2.5
107.04951	8.6
107.08573	1.6
109.02892	1.1
109.06518	1.6
111.04427	1.3
115.05457	1.7
117.03368	2.3
117.07042	0.8
119.04959	4.9
119.08588	1.6
121.06503	6.6
121.10167	0.6
122.03642	6.3
123.04460	0.6
123.11783	0.6
125.05998	1.3
127.03985	0.5
128.06119	0.6
129.07018	0.7
129.28502	0.5
130.06590	0.5
131.04932	3.8
131.08516	2.7
133.02867	1.3
133.06509	0.8
133.10126	0.8
134.03650	1.2
135.04420	8.3
135.08031	0.9
137.05977	100.0
138.06329	2.1
141.06953	0.9
143.04948	0.8
143.08560	2.2
144.65419	0.6
145.02866	3.0
145.06422	1.0
145.10117	1.8
146.03613	1.2
147.04424	5.8
147.08073	0.8
149.05984	9.4
150.06740	2.2
151.03902	4.9
151.07523	3.7
152.06171	0.6
153.05542	1.0
153.06989	4.7
155.08589	1.9
157.06482	0.9
158.10933	2.1
160.05089	0.6
161.05981	8.0
162.06729	1.9
163.02637	1.0
163.03912	14.6
163.07529	3.6
164.04312	1.3
165.05515	1.4
165.06976	12.3
166.07623	0.7
167.07065	6.7
167.08412	0.8
168.05661	0.6
169.06540	0.6
173.13269	10.1
174.06798	0.7
175.07600	2.9
175.14803	1.1
177.05469	1.8
177.06929	0.8
178.07742	0.6
179.07033	3.7
179.08597	2.0
181.05009	1.0
181.06427	4.2
182.07300	2.2
183.08055	9.1
185.05989	1.0
187.07593	1.5
189.06967	0.7
191.03372	0.7
191.07045	1.6
191.08641	1.0
191.14336	1.0
193.06400	4.7
194.07277	1.8
195.08073	2.0
196.05182	1.1
197.05980	1.1
198.06746	0.9
199.07481	0.8
200.08270	0.6
203.06976	1.7
205.04890	1.0
205.06581	1.1
205.08510	0.6
206.07173	1.4
207.04466	1.1
207.08139	1.4
209.09595	1.2
210.06766	2.8
211.07513	10.0
212.08197	1.6
213.09076	2.0
215.03409	0.7
217.04865	0.7
218.05334	0.7
218.07309	0.9
219.08043	1.7
221.05966	7.1
222.06781	2.1
223.07501	1.7
224.08305	1.6
225.09077	4.8
228.07730	0.8
231.08061	0.8
233.05942	1.9
234.06758	2.0
235.07455	2.8
236.08250	0.7
237.09091	5.2
239.07069	3.5
239.10841	0.8
240.07603	0.6
241.08531	1.2
242.09384	1.4
242.71140	0.7
243.10130	0.9
245.05841	0.5
246.06674	0.9
247.07458	1.5
248.08328	0.6
249.09068	2.3
250.06277	1.6
251.06966	1.6
251.10481	0.9
252.07823	1.2
253.08578	3.4
254.09355	1.0
255.06447	0.6
256.07263	0.7
261.08969	1.2
262.06204	0.9
263.06979	2.5
264.07803	1.3
265.08609	7.3
266.09320	1.6
267.06613	0.5
267.10095	3.2
268.07364	0.7
268.10947	0.6
269.08044	1.1
270.08890	1.1
271.09644	69.0
272.10004	2.4
273.11215	2.9
275.06964	0.5
277.08499	4.6
278.09415	1.0
279.06750	0.5
279.10065	1.4
281.08060	1.1
282.08771	4.0
283.09604	2.6
284.10504	0.8
285.08215	1.1
285.11200	11.6
289.08463	0.9
291.10138	0.9
293.08453	0.8
294.08810	1.0
295.06287	0.8
295.09628	2.1
296.10809	0.6
297.11230	18.6
298.11783	1.5
299.12662	1.8
301.10791	0.8
307.09583	1.6
309.11258	8.7
310.11954	1.5
313.10757	0.9
315.12329	3.8
321.11273	2.8
322.11795	1.6
325.09460	0.7
327.12253	18.8
328.12610	0.8
339.12311	2.4
340.12991	2.3
341.10147	0.7
341.13730	1.7
355.08685	0.6
357.13483	0.9
385.14456	0.6
388.10626	0.9
413.13696	1.0
419.14905	3.2
421.16360	1.8
431.15021	2.5
433.16544	2.6
443.15005	0.7
445.16370	2.1
449.15979	3.0
457.16196	1.5
463.17633	2.6
475.17563	1.4
569.21704	3.0
581.21710	4.5
593.21790	0.8
599.22839	3.5
611.22430	1.5
712.21289	0.7
712.32422	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19850	0.4
60.54708	0.4
61.02916	0.4
63.34626	0.4
67.05499	1.0
69.03419	0.8
70.11543	0.9
71.67973	0.4
73.02921	0.6
79.05501	0.7
81.03410	1.0
81.07045	1.2
82.40325	0.3
83.08630	0.4
85.02927	0.9
87.28703	0.4
88.72533	0.4
91.05487	1.1
93.07045	0.7
95.04956	1.0
95.08596	1.0
97.02887	0.7
105.07021	0.9
107.04925	0.8
107.08596	0.6
119.08555	0.5
121.10152	0.6
137.05963	1.1
151.03870	0.8
163.03900	2.1
167.07008	0.7
199.07440	0.3
199.39542	0.5
242.69022	0.4
251.78651	0.4
267.09219	0.4
271.06091	0.7
309.10907	0.5
337.14355	0.4
355.15433	0.5
469.20407	0.7
485.17947	0.6
533.38049	0.4
712.42157	0.7
713.31348	100.0
714.31860	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	713.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	0.4
69.03449	0.4
69.07049	0.4
79.05520	0.7
95.04996	0.5
95.08611	0.4
107.08599	0.4
150.99626	0.3
157.40822	0.3
201.96021	0.4
203.05270	2.0
232.98845	0.4
251.55766	0.4
259.07797	2.0
287.05475	0.6
315.19330	0.9
331.10071	0.5
347.09564	1.1
365.10577	2.4
371.21695	0.5
389.22952	3.5
421.13080	1.5
493.15750	0.5
551.28253	21.8
552.28632	1.6
713.33405	100.0
714.33881	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	714.551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27642	0.6
55.05506	4.2
56.05021	3.3
57.07069	2.3
60.04510	2.2
67.05196	1.1
67.05504	8.8
69.03429	1.4
69.07059	6.2
69.33325	0.7
69.67866	2.7
70.06589	1.5
71.08623	1.8
79.05501	7.9
80.05003	2.3
81.07056	7.8
82.06580	4.9
83.08604	4.7
85.02888	1.0
91.05476	6.2
93.07044	7.9
94.06574	12.4
95.04956	0.9
95.07345	5.4
95.08600	6.4
96.08143	5.5
97.02912	1.3
97.10168	2.7
105.07027	5.2
107.08620	4.9
108.08105	1.8
109.10142	3.3
110.91409	0.7
111.11773	1.0
119.08601	6.2
121.10149	5.6
122.09651	1.3
123.11655	1.2
127.03910	0.9
133.10101	3.5
135.11647	3.7
137.13214	0.9
147.11742	0.8
163.14801	1.0
219.20828	0.7
223.07751	0.7
233.22646	3.1
245.22729	3.5
250.25258	8.9
251.25552	0.9
254.24934	1.3
262.25293	100.0
263.25656	4.2
272.25784	4.2
280.26236	7.4
366.60474	0.7
411.94495	0.8
477.29187	0.8
504.48019	3.9
516.47766	25.2
517.47998	2.1
518.49536	3.6
534.48785	17.4
535.49353	0.9
549.05389	0.9
572.78149	0.7
619.10645	0.8
696.53955	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	715.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
55.01875	1.5
55.05511	1.1
57.03446	0.8
65.03957	0.5
67.05501	3.3
69.03423	6.1
70.09660	0.9
71.01354	0.8
71.04995	2.5
74.58425	0.4
74.68525	0.4
77.03952	1.3
79.05492	5.4
81.03413	2.4
81.07050	3.1
83.04977	1.7
85.02907	5.4
89.02347	0.5
89.03890	0.5
91.05484	3.7
93.07047	4.3
95.04967	36.1
95.08600	3.1
96.05289	0.6
97.02890	9.7
97.06509	0.7
98.23418	0.6
99.04464	2.3
103.05462	4.5
105.03358	0.5
105.04512	1.5
105.07017	3.9
107.04954	28.1
107.08610	1.8
108.05291	0.6
109.02877	19.8
109.06529	4.5
111.04391	0.7
111.08076	9.1
112.49751	0.4
115.05437	0.8
117.07030	0.8
119.04910	0.8
119.08570	0.8
121.06503	7.1
121.10160	0.8
123.04436	8.5
123.08085	2.0
125.02356	20.0
125.05991	1.7
126.02750	0.5
127.03912	62.3
128.04295	0.5
129.07043	0.4
131.04922	4.2
131.08565	0.8
133.02844	0.7
133.06480	3.0
135.04453	3.5
135.08041	1.0
137.05972	5.3
138.06300	1.1
139.03905	0.8
145.04929	1.1
145.10072	0.5
147.04414	1.5
147.07896	0.5
149.02335	0.7
149.05963	11.5
151.03903	60.7
151.07484	5.4
152.04260	0.6
153.05467	5.9
155.07118	0.5
159.04358	2.9
161.05966	2.1
163.03854	2.8
163.07562	1.1
165.05560	0.5
166.45665	0.5
166.80072	0.5
167.07028	1.5
169.04962	1.6
169.08705	0.8
175.03874	0.6
175.07521	0.9
177.05452	18.2
177.06973	1.0
179.07027	13.3
179.08591	0.7
179.10426	0.5
187.14919	1.0
195.05164	0.7
195.06525	29.9
197.08083	100.0
198.08395	1.7
213.07578	1.6
215.14268	1.7
233.15349	1.0
251.09094	1.0
271.06042	0.5
271.09583	0.6
303.08737	1.2
321.09708	2.0
328.52325	0.5
339.10709	3.3
341.12268	0.7
355.26273	0.7
357.11652	3.7
359.13293	6.7
373.27332	3.6
385.14847	0.9
391.28421	7.0
483.14847	1.0
491.15411	3.4
535.18066	1.5
553.20062	0.6
715.46838	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3299
Annotation	Glaberianthrone
Peak:m/z	Relative Intensity
50.26506	0.2
51.71906	0.3
56.48996	0.2
59.59629	0.2
62.26394	0.2
67.05502	0.4
69.07063	0.3
79.05490	0.3
81.07065	0.4
88.48522	0.3
90.39238	0.3
93.07076	0.5
95.08625	0.4
98.22845	0.4
158.99733	0.4
176.92407	1.1
181.12308	0.4
194.93512	0.9
206.44768	0.3
217.95261	0.4
218.93457	0.3
267.99734	0.3
302.95752	0.3
320.96600	1.7
338.97861	0.3
362.97736	0.9
380.98788	0.6
532.44781	0.3
581.18237	0.5
655.21820	3.0
715.32977	100.0
716.33240	6.9
731.25348	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48662	0.3
64.08273	0.2
66.77011	0.3
67.05488	0.3
69.95615	0.2
71.45215	0.3
79.05466	0.4
81.07069	0.4
83.01090	0.4
84.01890	0.4
91.05514	0.3
93.07065	0.4
95.01094	0.3
97.06602	0.3
103.88876	0.2
107.04945	0.3
107.08598	0.6
123.11761	0.3
125.02148	0.3
135.68401	0.2
141.05244	0.3
156.03923	0.5
157.04767	0.6
169.04689	0.3
177.05417	0.4
185.04199	2.0
201.03654	1.6
203.05257	2.5
241.06897	0.5
257.06381	0.6
259.07907	2.6
261.91397	0.3
275.07480	0.4
277.08975	0.3
301.08878	0.3
317.08569	0.9
319.10025	1.7
329.08340	0.6
331.09924	2.4
345.11554	0.6
347.09460	3.9
359.13254	0.5
363.09027	2.0
365.10492	4.1
373.14755	0.6
391.24570	0.7
401.18045	0.5
415.19638	0.9
421.13135	2.1
437.13022	0.5
455.22565	0.5
483.21756	1.3
493.15268	3.9
507.16891	1.1
521.18524	0.7
535.20050	1.1
535.28424	0.5
549.21277	0.5
553.29779	13.8
554.30035	0.7
563.22864	0.5
577.24573	1.4
603.26288	0.4
617.28107	0.6
641.54736	0.3
645.27148	1.1
715.35016	100.0
716.35168	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	715.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01858	1.7
55.05509	2.8
56.06397	0.5
57.03436	3.4
57.07073	0.9
61.02915	5.0
62.79881	0.5
63.02372	0.4
65.03960	0.9
67.05499	4.4
69.03428	11.8
69.07064	3.8
69.78635	0.8
69.78996	1.3
71.01375	0.8
71.05000	2.1
73.02923	2.3
78.04728	0.6
78.86752	0.5
79.05495	2.5
81.03407	5.0
81.07050	7.2
83.04965	2.2
83.08619	1.4
84.18047	0.4
85.02901	66.0
85.06539	2.6
86.03246	0.9
86.09698	2.0
87.04472	1.5
89.03914	5.8
91.03942	2.2
91.05472	4.1
93.07047	5.9
95.04964	2.5
95.08600	11.6
97.02889	15.3
97.06532	1.8
97.10160	1.6
99.04456	3.4
99.08125	0.8
101.02351	0.7
103.03969	0.8
103.05474	3.4
105.07032	5.6
107.04955	2.0
107.08579	5.3
107.78510	0.5
109.02872	6.9
109.06522	1.4
109.10153	6.1
111.04452	1.2
111.08065	2.3
111.11745	0.5
115.05445	1.2
117.03373	16.8
117.06997	1.6
119.04981	0.9
119.08567	5.8
121.02847	0.7
121.06498	1.4
121.10149	5.9
122.03652	1.1
123.04395	0.6
123.08051	1.6
123.11716	4.5
125.00008	1.3
125.09662	0.6
125.40821	0.5
127.03905	17.1
128.06281	0.9
129.07001	1.2
131.04918	6.6
131.08575	3.2
133.06476	1.2
133.10129	4.4
134.03639	1.1
135.04401	2.4
135.08002	1.0
135.11673	2.4
137.05965	12.9
137.09579	2.5
137.13254	0.7
138.32039	0.5
139.03856	1.0
139.07536	3.5
143.04836	0.5
143.08549	2.5
145.02844	46.0
145.04932	25.6
145.10059	4.4
147.04422	2.0
147.11696	3.3
148.04843	0.5
149.05960	8.9
149.09583	1.0
149.13283	1.2
151.03900	1.8
151.07529	1.2
151.11163	1.9
153.05415	1.1
155.08495	1.4
157.08713	1.1
157.10121	4.1
159.08058	0.9
159.11714	3.2
161.05965	2.9
161.09608	0.6
161.13242	3.0
163.03918	9.4
163.06009	10.6
163.07529	3.2
163.14795	1.5
165.05476	0.9
165.09283	0.5
165.12738	0.9
167.07042	3.0
167.08432	0.9
168.09306	0.6
169.10121	3.3
169.12212	1.5
171.11694	3.5
173.09659	0.5
173.13251	3.7
174.06558	0.6
175.03944	0.6
175.07536	2.4
175.11206	0.9
175.14798	1.2
177.05457	100.0
179.07053	0.7
179.08548	0.6
181.04987	2.8
181.06357	0.6
181.10080	0.9
182.11058	0.7
183.11703	5.1
184.07336	5.2
185.07701	1.0
185.09636	0.7
185.13257	3.6
186.05481	1.2
187.07562	2.4
187.13248	1.5
187.14856	2.3
189.16354	0.9
191.07019	1.7
191.08572	0.6
192.07562	0.6
193.10155	0.7
194.10910	0.6
195.06494	1.1
195.11723	1.4
197.08014	0.7
197.13231	2.7
199.07486	0.8
199.14839	2.8
201.12637	0.7
201.16403	2.3
203.06970	0.7
205.08606	0.9
207.11635	1.3
209.13245	1.4
211.07565	0.7
211.09607	0.8
211.14774	1.2
213.16374	3.4
215.14259	1.1
217.04958	0.8
217.08670	0.7
217.16000	0.8
217.19536	1.1
219.08215	0.7
221.06064	0.6
221.13371	1.0
223.14799	1.7
225.16353	1.9
227.17856	0.7
229.15842	1.2
233.15309	0.8
235.14780	0.5
235.16953	0.6
237.16376	2.0
239.17899	4.0
241.19510	0.7
243.17474	0.6
249.16432	1.2
251.06976	0.6
251.17857	0.9
253.19560	1.2
255.17442	0.8
257.18961	2.5
260.77948	0.5
261.16165	0.6
263.17999	0.6
265.08652	1.0
265.19608	0.8
269.19000	0.5
269.22546	0.6
271.05957	3.4
277.08640	0.7
281.18948	1.2
287.05518	0.7
293.22595	2.7
297.11176	1.0
299.19983	0.9
309.11063	1.8
309.25702	1.4
311.12808	1.2
311.23547	2.3
319.24188	1.7
321.11380	1.1
323.12836	0.6
325.11194	0.6
327.12222	0.8
329.24612	2.5
335.12625	0.6
337.25159	9.1
338.27829	0.7
339.10870	1.2
355.15335	1.5
355.26288	14.0
365.12985	0.7
367.26059	1.4
373.27335	30.5
374.27689	1.7
383.25787	0.7
385.27078	0.7
391.28360	1.6
397.27228	1.1
401.26904	5.2
415.28299	1.7
439.28293	1.0
443.27512	0.7
457.28906	0.6
463.28595	0.9
469.20328	0.7
476.75858	0.5
481.29349	2.1
499.30585	3.9
517.31464	6.1
519.22198	8.4
535.32391	2.0
553.33582	2.8
715.24207	2.3
715.33960	5.4
716.23920	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	1.1
53.03950	1.2
55.01873	1.7
55.05511	2.0
57.03442	6.6
59.04992	4.3
61.02932	2.7
65.03967	1.6
67.05506	8.2
68.66666	0.8
69.03426	12.6
70.75127	1.5
71.01356	4.4
71.05002	4.6
73.02920	4.0
75.04480	7.1
75.06826	0.9
77.03934	0.8
79.05497	16.8
81.03403	5.9
81.07072	2.6
83.04982	16.7
85.02908	8.4
85.06544	3.1
87.04481	2.9
91.05471	5.4
93.07035	6.5
95.01357	1.4
95.04969	43.1
95.08612	1.7
97.02900	5.1
103.03933	5.0
103.05463	5.6
105.04518	1.9
105.07039	2.3
107.04958	90.6
108.05325	1.0
109.02882	33.5
109.06514	10.0
111.04469	3.0
113.06010	26.8
116.44212	1.1
121.06495	13.7
121.07310	1.1
123.00813	1.7
123.04420	6.9
125.02361	6.5
125.05974	2.8
127.03911	6.3
131.04955	6.1
131.07037	23.3
131.08023	1.5
133.06563	1.0
135.04416	100.0
136.04706	1.4
137.05991	4.0
139.03894	20.2
141.05466	2.5
145.04961	1.4
149.05986	26.6
149.08031	10.5
151.03900	31.6
153.05470	17.7
159.04425	6.5
159.06531	4.5
159.72325	1.0
163.03920	4.0
163.07539	1.1
165.05486	48.0
167.03459	1.9
167.07047	23.1
167.09134	9.7
167.38356	1.0
175.07642	2.2
177.05476	47.9
177.07584	4.3
179.07066	1.9
181.08643	2.3
187.07515	1.1
191.07042	8.9
195.06528	58.1
196.06903	1.4
197.08069	1.3
209.08089	65.8
210.08435	1.2
213.07603	2.2
227.09148	31.7
228.09602	1.1
251.09114	1.0
275.42776	1.0
281.10199	0.9
281.80164	0.9
290.99100	0.9
307.11819	5.4
321.09705	1.1
325.12814	28.3
339.10782	7.1
339.14526	3.9
343.13855	41.3
344.14069	1.8
348.60565	0.9
357.11569	1.0
357.15558	5.7
366.65787	0.9
371.13550	1.2
375.16534	12.8
383.60263	1.0
422.52487	0.9
451.16364	1.0
469.17068	2.2
487.18039	4.1
505.19080	3.2
707.23523	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.5
57.03411	0.1
57.07073	0.2
63.02388	0.4
65.03945	0.2
66.10783	0.1
67.05495	1.2
69.03430	0.4
69.07062	0.2
71.04999	0.3
77.03902	0.1
78.04713	0.2
78.11765	0.1
79.05481	0.5
81.03403	0.7
81.07053	4.7
82.00518	0.1
83.04987	0.1
83.08627	0.1
85.02892	0.4
85.06527	0.3
89.03909	4.5
89.77126	0.1
91.05473	0.6
93.07059	0.6
94.04173	0.2
95.04964	1.0
95.08586	0.8
97.02894	0.3
97.06546	0.1
97.10162	0.4
103.05461	0.9
105.07021	0.4
106.04196	0.2
107.04950	0.3
107.08620	0.2
109.02874	0.2
109.06537	0.3
109.10175	0.2
111.04427	0.3
115.05476	0.2
117.03373	13.8
117.07018	0.2
118.03716	0.2
119.04927	0.5
119.08572	0.2
121.06505	0.2
121.10126	0.2
122.03649	0.7
123.04404	0.1
123.08070	0.1
123.11702	2.6
124.05064	0.1
127.03907	0.3
128.06155	0.1
129.04544	0.1
129.06981	0.3
131.04926	1.9
131.08554	0.2
133.06494	0.1
133.10103	0.2
134.03629	0.9
135.04407	1.2
135.08131	0.1
137.05971	15.4
138.06291	0.3
143.04916	0.3
145.02840	43.4
146.03165	0.7
147.04428	0.2
149.05972	5.8
151.03888	0.3
151.07523	1.1
151.11209	0.6
153.05391	0.1
157.06482	0.4
158.05971	0.2
159.04495	0.1
160.05217	0.6
161.05952	0.7
162.03127	0.2
163.03891	3.3
163.07532	1.2
165.06927	0.2
167.07034	0.2
169.12233	1.1
173.05910	0.2
174.06674	0.2
175.07544	3.6
176.07852	0.1
177.05458	100.0
178.05814	2.1
179.07057	0.3
181.04912	0.1
181.06375	0.1
181.08479	0.1
186.05481	0.8
187.07498	1.1
187.13327	0.7
189.09151	0.6
191.08636	0.1
193.08630	0.2
195.06519	0.3
199.07524	1.3
201.09074	0.2
203.08553	0.2
205.08548	1.2
211.07420	0.2
213.09113	0.2
217.08629	0.3
219.08044	0.1
221.06046	0.2
225.09126	0.2
227.06891	0.1
231.07970	0.2
233.05936	0.1
233.08058	0.3
235.07607	0.1
235.09525	0.5
247.07553	0.1
253.08630	0.2
259.09576	0.2
263.10721	0.2
263.27390	0.1
265.08508	0.3
267.10049	0.2
271.09836	0.1
275.10663	0.2
277.08490	0.3
283.09470	0.2
285.11124	0.4
291.10034	0.6
297.11102	0.3
303.10132	0.2
305.08368	0.1
305.11676	0.2
309.11090	0.3
311.12665	0.3
315.10129	0.1
321.10999	0.4
322.11511	0.1
323.12787	0.8
325.08841	0.1
325.16406	0.6
333.10898	0.2
335.12741	1.0
337.14206	0.3
339.10681	0.8
343.17429	0.3
345.16910	0.6
347.12875	0.5
351.10709	0.4
353.13651	0.2
355.15347	0.3
361.18576	0.2
363.17996	0.1
365.13748	0.3
369.12158	0.2
383.14691	0.5
392.28683	0.2
418.14233	0.2
440.15948	0.1
442.39890	0.1
459.18152	0.7
471.17761	0.5
489.19186	1.1
501.19366	0.2
507.20035	0.9
519.22217	11.9
520.22430	0.7
537.23132	0.2
681.26746	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	716.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.2
55.01888	0.3
55.05515	0.7
57.03443	0.3
57.07090	0.3
61.02939	0.5
63.02374	0.5
65.03952	0.2
67.05502	1.3
69.03426	1.5
69.07067	0.7
70.03781	0.2
71.01380	0.2
71.05013	0.5
73.02901	0.4
79.05488	0.9
81.03406	1.2
81.07053	4.6
83.04980	0.3
83.08613	0.4
85.02901	5.4
85.06569	0.3
86.03243	0.5
86.09725	0.3
89.03909	6.1
91.05490	1.1
93.07032	1.5
95.04972	1.3
95.08600	1.9
97.02894	1.6
97.10185	0.6
98.03222	0.2
99.04436	0.4
99.08119	0.3
103.05466	0.9
105.07009	1.0
106.04189	0.4
106.64924	0.2
107.04979	0.5
107.08594	1.1
109.02876	1.3
109.06515	0.3
109.10159	0.6
111.04453	0.7
111.08096	0.3
115.05469	0.2
117.03378	16.7
117.07004	0.4
118.03680	0.2
119.04963	0.4
119.08594	0.7
121.06500	0.6
121.10136	0.8
122.03710	0.3
123.08054	0.3
123.11701	2.7
124.05235	0.2
127.03924	1.6
129.07033	0.2
131.04930	1.6
131.08536	0.4
132.05272	0.2
133.10123	0.8
134.03674	1.1
135.04404	1.8
135.08031	0.2
135.11694	0.3
137.05975	4.2
137.09601	0.4
138.06329	0.4
139.07544	0.3
141.12730	0.2
145.02841	45.4
145.04910	1.5
145.10060	0.4
146.03163	1.1
146.05240	0.3
147.04373	1.0
147.11682	0.3
149.05966	6.5
149.09630	0.3
151.03897	0.6
151.07562	0.3
151.11192	0.7
153.05455	0.3
157.10074	0.3
159.04399	0.2
159.11682	0.2
161.05957	0.6
162.03133	0.3
163.03896	5.2
163.06084	0.6
163.07533	0.6
164.07893	0.3
165.05490	0.4
165.09288	0.2
167.07002	0.7
169.12242	1.7
171.11757	0.3
173.13252	0.3
175.07578	0.7
175.39377	0.2
177.05460	100.0
178.05782	2.6
179.38295	0.2
181.04936	1.0
182.05396	0.3
183.11679	0.3
184.07262	0.2
186.05504	1.0
187.07587	0.4
187.13324	1.2
189.09212	0.2
191.07054	0.3
205.08595	0.3
211.07582	0.3
213.16408	0.2
215.14441	0.2
217.08441	0.3
247.07529	0.2
265.08417	0.2
267.10529	0.2
271.06177	0.3
287.05603	0.2
288.48529	0.2
291.09961	0.2
293.22571	0.2
294.22559	0.2
297.10962	0.2
308.79248	0.2
309.11127	0.3
311.23578	0.2
325.09134	0.2
325.16254	0.3
337.25192	0.4
338.25714	0.6
339.10721	0.8
343.17590	0.4
345.16968	0.9
355.15366	0.6
355.26257	0.5
356.26688	0.6
361.18512	0.4
373.27261	1.1
374.27701	1.5
402.27356	0.2
507.20273	0.2
518.31989	0.5
519.22266	8.6
520.22021	0.6
664.74353	0.3
716.24615	0.7
716.35315	1.1
717.26257	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41505	0.2
55.05511	0.4
55.13164	0.2
57.07070	0.2
59.84077	0.2
62.01584	0.2
63.02366	0.3
65.03933	0.2
67.05497	1.2
69.03438	0.4
69.07041	0.2
69.16045	1.1
71.04967	0.4
79.05476	0.5
81.03420	0.7
81.07055	3.6
82.73048	0.2
85.02895	0.5
85.06536	0.5
89.03909	5.0
91.05475	0.9
93.07042	0.3
94.04189	0.3
95.04962	0.9
95.08590	1.0
97.02877	0.4
97.06495	0.2
97.10152	0.6
98.22762	0.4
99.04475	0.2
103.05456	1.0
105.07011	0.5
106.04163	0.3
107.04977	0.2
107.08585	0.4
109.02835	0.2
109.06508	0.5
109.10141	0.3
111.04446	0.4
115.05456	0.3
117.03372	13.8
118.03693	0.3
119.08549	0.3
121.06526	0.2
121.10117	0.2
122.03640	0.7
123.11697	2.2
127.03888	0.2
128.06235	0.2
129.07013	0.3
131.04930	2.0
134.03607	1.0
135.04416	1.2
135.71246	0.2
137.05968	13.8
141.06961	0.2
143.04901	0.3
145.02835	43.7
146.03209	0.7
147.04355	0.4
149.05971	5.7
151.03886	0.2
151.07504	1.0
151.11208	0.4
157.06491	0.3
160.05148	0.4
161.05978	0.6
162.03134	0.3
163.03889	2.8
163.07526	1.1
164.04330	0.2
167.07082	0.2
169.12219	1.4
175.07539	3.6
177.05452	100.0
178.05771	2.1
179.07019	0.2
181.04979	0.3
186.05450	0.8
187.07515	1.1
187.13268	0.6
189.05489	0.2
189.09053	0.5
199.07538	1.3
201.05563	0.3
205.08557	0.8
213.09073	0.2
217.08540	0.4
221.05949	0.2
229.08487	0.2
231.08011	0.3
233.08086	0.4
235.09584	0.7
251.10529	0.2
259.09616	0.2
260.08130	0.2
263.10602	0.2
265.08615	0.2
271.07715	0.2
280.45264	0.2
283.09595	0.2
285.11115	0.4
291.10056	0.6
297.11224	0.2
303.10245	0.2
309.11444	0.3
311.12766	0.2
319.09418	0.3
321.10583	0.2
323.12701	0.5
325.16376	0.7
333.09787	0.3
335.12747	1.2
337.14435	0.3
339.10669	0.9
343.17490	0.4
345.16830	0.7
347.12537	0.3
351.10699	0.4
353.13623	0.3
355.15558	0.4
365.13687	0.3
383.14734	0.3
418.13742	0.3
459.17731	0.6
471.17776	0.4
473.85834	0.2
489.19055	1.2
507.19885	0.8
519.22223	12.6
520.22070	0.7
537.23212	0.3
579.91827	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	716.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.4
53.03938	0.5
54.26353	0.3
55.05488	1.3
57.03410	0.6
57.07056	0.7
60.64072	0.3
61.02906	1.0
65.03923	0.4
67.05485	1.6
67.50194	0.4
69.03422	2.1
69.06725	0.4
69.07056	3.1
69.18766	2.1
71.04982	0.4
73.02881	0.7
79.05467	1.4
81.03385	1.6
81.07053	5.4
83.04961	0.4
83.08588	1.5
85.02895	10.5
85.06529	0.6
86.09685	0.7
89.03933	0.5
91.05472	2.8
93.07044	2.8
95.05000	0.8
95.08017	0.6
95.08594	7.7
97.02863	2.6
97.06475	0.5
97.10150	0.5
103.05407	0.6
104.10741	0.7
105.06351	0.6
105.07021	9.1
107.04947	0.8
107.07919	0.6
107.08588	7.2
109.02841	1.3
109.06512	3.1
109.10137	4.6
111.04433	1.2
111.08047	0.5
117.03341	1.4
117.05527	0.4
117.07019	0.5
119.04905	0.7
119.08575	12.8
121.06513	3.3
121.10130	7.2
123.08056	7.5
123.11675	1.4
127.01489	0.4
127.03889	3.2
129.07016	0.8
131.04887	0.6
131.08546	1.7
133.06456	0.9
133.10123	17.4
135.08028	1.9
135.11699	3.3
137.05962	4.9
137.09593	2.8
138.06227	0.5
143.08575	2.6
145.02850	3.9
145.04919	4.1
145.10106	3.1
146.10942	1.7
147.04399	0.6
147.08029	2.4
147.11681	13.2
147.12863	0.7
149.05960	1.0
149.09615	1.8
149.13254	0.6
151.07513	0.6
151.11217	0.4
157.10153	3.3
158.10350	0.4
159.11661	2.5
161.05989	1.0
161.09604	8.6
161.13214	3.0
163.03922	2.8
163.06036	2.2
163.07248	0.4
165.09079	1.2
171.11697	1.3
173.09563	0.6
173.13237	0.7
175.07574	0.8
175.11191	3.0
175.14821	1.1
177.05466	9.7
177.12737	1.0
177.16347	0.4
181.04901	0.4
183.11755	0.6
184.07309	0.5
185.13185	0.5
187.07506	0.8
187.14780	0.7
189.12732	0.6
189.16360	15.6
191.17952	0.7
199.07468	0.5
199.14803	8.8
201.16367	1.4
203.14296	0.9
211.14679	0.5
213.16519	0.4
215.14252	0.8
215.17897	1.1
217.15862	65.3
218.16194	1.4
219.17409	4.4
227.17891	0.5
229.15842	0.4
235.16917	25.9
236.17296	1.1
241.21600	0.4
242.21870	0.4
243.17439	0.9
255.17494	0.7
257.19064	0.4
261.18506	0.8
291.09937	0.4
313.24979	0.6
321.25742	2.1
339.26825	8.0
355.15378	0.5
357.27844	100.0
358.28262	3.0
375.28903	49.1
376.29254	1.6
397.22272	0.6
436.81079	0.5
466.92813	0.4
505.26279	0.4
519.21991	0.9
537.34131	3.6
715.50049	0.5
716.50464	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72396	0.6
52.67731	0.5
71.44951	0.6
81.07061	0.8
82.76591	0.5
86.09704	0.8
98.97597	0.6
116.44319	0.6
184.07326	3.1
220.11986	0.7
252.33553	0.6
717.34491	100.0
717.44916	5.1
718.34918	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	718.349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.8
55.01887	0.5
55.05505	8.8
55.83310	0.4
57.03434	2.5
57.07068	1.0
59.04993	0.9
61.02926	0.4
67.05501	2.5
68.25771	0.3
69.03425	8.6
69.07068	2.6
70.74239	0.8
71.04976	1.8
73.02889	0.5
77.31044	0.4
79.05496	2.1
81.03420	0.9
81.07053	4.0
83.04974	7.6
83.08611	8.3
85.02903	9.8
85.06532	2.2
87.04459	4.7
91.03955	0.4
91.05463	2.0
93.07042	6.3
95.04962	12.1
95.08598	3.5
97.02885	9.9
97.06509	3.0
97.10169	1.5
99.04455	4.2
105.07027	3.8
107.04904	0.5
107.08590	10.4
109.02824	0.9
109.06515	5.5
109.10141	6.1
111.04438	0.4
111.08054	2.4
113.09637	0.7
115.03931	8.8
115.07555	3.5
118.45624	0.5
119.04969	0.5
119.08566	3.6
121.10137	26.2
123.08073	1.2
123.11723	2.3
125.09615	2.7
127.03911	2.7
128.67790	0.4
129.06984	0.4
131.04890	0.5
131.08514	2.2
133.04968	7.7
133.10118	8.8
135.04381	0.7
135.08037	1.8
135.11696	3.2
137.05949	1.4
139.11150	1.7
145.04927	3.0
145.10109	1.1
147.11670	3.0
149.05986	0.4
149.13257	2.6
151.03951	0.7
151.11166	10.3
153.09094	5.8
158.10887	0.8
161.09624	0.5
163.03871	1.4
163.06061	2.1
163.07373	0.6
163.11029	0.5
163.14812	6.4
165.12703	0.5
167.14307	12.7
169.12263	0.6
171.10156	0.8
173.13246	10.7
175.05946	0.4
175.14827	4.1
175.91129	0.4
179.07022	0.7
191.12546	0.7
191.14288	13.7
197.08110	0.6
208.50595	0.4
209.15352	100.0
210.15640	2.9
215.08981	0.4
227.16397	19.2
228.16716	0.5
233.15277	1.1
241.07216	0.5
251.16408	0.7
259.08057	0.9
275.16388	0.8
278.50659	0.4
287.16202	0.6
293.17404	0.6
295.10172	3.1
305.17422	0.9
323.18515	0.6
325.11282	1.3
341.13614	0.6
341.19473	0.9
353.19516	1.0
355.13660	1.8
356.13815	1.3
371.20554	3.1
385.14627	1.1
386.14832	0.9
389.21646	1.1
436.95718	0.5
443.65292	0.4
486.18500	0.4
621.24200	0.4
687.36359	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
54.33956	0.2
55.01880	0.4
55.05507	0.2
65.03599	0.2
65.03935	3.0
67.05492	1.3
68.99769	0.2
69.03436	1.4
69.07066	0.4
71.04984	0.3
71.43782	0.2
78.74331	0.2
79.05481	0.7
81.02957	0.4
81.03411	4.1
81.07027	0.4
82.00616	0.2
82.04193	1.2
85.02901	3.6
91.05474	1.4
93.03401	0.8
93.07045	0.4
94.04179	0.4
95.04963	2.2
95.08611	0.4
97.02910	1.5
97.06535	1.1
97.10152	0.2
99.04428	0.6
101.88767	0.2
103.05459	0.7
105.04504	0.3
105.07029	0.5
106.32944	0.2
107.04951	0.8
107.08598	0.3
108.02085	0.6
109.02882	1.5
109.06525	0.4
109.10178	0.3
110.03666	1.6
111.04462	1.0
117.07019	0.2
119.04955	0.9
119.08575	0.2
121.02814	0.2
121.06486	0.6
121.10146	0.3
122.03632	0.5
123.04455	1.2
125.02323	0.4
125.05991	1.2
127.03915	0.6
129.06999	0.5
131.04906	0.9
131.08600	0.2
134.99104	0.2
135.04419	0.2
135.08144	0.4
136.05235	0.2
137.02374	0.2
137.05978	7.9
138.03102	1.0
138.06296	0.6
139.03804	0.2
140.04683	5.7
141.05177	0.2
142.02609	0.6
143.65361	0.2
145.04942	0.3
145.10115	0.3
147.04436	0.3
149.05954	0.6
151.03860	0.6
151.07536	4.3
153.05472	3.1
155.07016	2.1
157.06517	0.6
161.06001	1.4
161.09575	0.2
162.06317	0.2
163.03902	1.4
163.07538	2.4
164.04211	0.2
165.05426	0.2
165.06946	0.2
165.09109	1.4
167.07156	0.3
167.08524	0.6
171.06546	4.1
174.06703	0.3
175.07561	0.6
177.05513	0.3
177.09093	3.7
181.04948	100.0
182.05281	2.2
187.07616	0.2
188.44913	0.2
189.09108	1.4
190.09451	0.2
193.10072	0.4
195.06488	0.3
195.08060	0.8
195.09927	0.3
199.06004	7.3
201.05527	0.2
201.09169	0.2
207.08099	0.3
207.10143	0.3
210.06740	0.2
217.05022	0.2
219.10161	1.0
221.05945	0.3
221.09697	0.5
221.11732	0.8
223.07549	0.5
224.08363	0.2
225.09111	0.4
227.10732	1.2
234.06654	0.3
237.08876	0.2
239.07068	0.2
241.06992	0.3
249.09024	0.3
253.08563	0.6
253.12248	0.6
255.10214	1.1
265.08508	0.3
267.09985	0.4
269.08182	0.3
272.10220	0.2
272.42856	0.2
279.10043	0.2
281.11642	0.3
285.11194	0.8
287.05453	0.6
287.12750	1.8
288.05881	0.5
297.11115	0.4
299.12735	0.5
309.11072	0.3
311.12738	1.0
313.09149	1.7
313.14212	1.5
323.12747	0.2
325.09161	4.3
329.13739	0.5
331.15372	7.7
332.15579	0.3
341.14029	0.2
343.10254	8.0
343.15195	1.3
353.22812	0.3
355.15289	0.6
367.15085	0.2
421.16339	0.7
439.17490	0.4
479.20212	0.3
481.21222	0.7
511.19760	0.2
697.39587	0.2
720.31122	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	720.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39880	0.4
53.03946	1.0
55.01876	1.3
55.05507	6.4
57.03446	1.1
57.07074	2.2
59.05000	0.9
61.02925	0.4
65.03947	0.6
67.05502	13.6
69.03427	4.6
69.07066	3.7
69.38720	1.8
71.04635	0.5
71.04996	6.1
71.08630	0.5
77.03925	0.6
79.05492	8.5
81.03413	6.4
81.07054	72.2
82.07384	0.6
83.08620	1.8
85.02907	6.5
85.06535	3.9
89.03927	0.4
89.06038	1.7
91.05469	2.5
93.07037	8.1
95.04972	5.8
95.08603	14.0
97.02889	3.4
97.10160	8.9
99.04443	1.6
99.08075	1.4
103.05469	5.4
105.04545	0.6
105.07027	41.4
106.07318	0.7
107.04983	1.1
107.08582	3.7
108.04497	0.6
109.02875	7.6
109.06513	3.0
109.10155	2.3
111.04437	0.6
111.08060	2.2
113.05991	0.7
115.05455	8.0
117.03413	0.6
118.04131	2.2
119.04958	0.7
121.10140	1.4
123.08079	1.4
123.11703	54.3
124.12038	1.0
125.09584	0.4
127.03914	9.9
131.04919	1.5
133.06487	41.8
133.10144	3.4
135.04410	0.8
137.05975	2.6
139.11203	0.9
141.12720	1.5
143.04985	0.9
143.06058	3.8
145.04936	0.7
147.04405	0.5
149.05977	0.8
149.09589	0.5
151.03874	0.4
151.07539	1.2
151.10219	0.3
151.11172	10.1
161.05971	90.0
162.06349	1.8
163.03896	5.6
163.07564	0.9
163.11163	0.9
167.07030	0.6
169.12230	32.2
175.07529	0.6
181.04881	0.6
187.13292	19.5
191.10748	0.4
193.08594	100.0
194.08940	2.0
209.11626	0.4
211.09631	1.2
227.12715	1.1
229.14391	2.9
249.14867	1.2
271.08090	0.6
277.14346	3.9
277.59869	0.5
279.07639	0.8
295.15384	14.1
313.16446	6.8
325.09177	0.4
331.17499	35.6
332.17838	1.1
349.11972	0.7
353.15912	1.1
420.36203	0.5
457.20660	0.5
558.18152	0.7
719.46167	1.2
720.46838	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24493	0.2
52.59291	0.2
53.03954	0.5
55.01876	0.7
55.05510	0.9
56.69633	0.2
57.03445	0.3
62.55242	0.2
67.05495	1.3
69.03432	1.3
71.04996	2.0
74.91456	0.2
75.04478	0.2
77.03918	0.4
78.71416	0.1
79.05492	4.8
80.06299	0.2
81.03407	0.7
81.07064	2.3
82.39672	0.1
83.01373	0.2
83.04995	0.6
83.08589	0.2
85.02901	1.7
91.05479	1.8
93.07045	5.5
95.04966	6.0
95.08601	2.5
97.02890	3.0
97.06533	0.4
99.04477	1.5
103.05441	0.4
105.07027	3.6
107.04968	1.2
107.08583	1.8
109.02886	1.4
109.06509	3.2
109.10156	0.4
111.04456	0.6
111.08083	12.8
115.05447	0.4
117.07048	0.3
119.08646	0.3
121.06510	1.3
121.10143	4.0
123.04427	1.5
123.08067	2.2
125.02377	0.2
125.05988	0.5
127.03915	59.0
128.04247	0.6
131.04910	0.4
131.08568	0.4
133.06497	2.7
135.04356	0.3
135.08032	0.2
137.05974	1.0
137.09642	0.2
145.04991	0.3
149.05989	0.3
149.09619	3.4
151.02757	0.1
151.03903	3.2
151.05038	0.3
151.07536	4.7
153.05464	1.2
153.09077	0.3
155.07089	0.8
161.05992	1.3
163.03871	0.6
167.07104	0.3
167.10661	1.0
169.04965	0.5
169.08620	0.8
179.07031	15.9
180.07307	0.4
197.08087	100.0
198.08405	1.8
217.26126	0.2
267.28833	0.2
289.27258	0.2
311.14890	0.3
341.12469	1.1
345.16779	1.0
359.13312	1.8
363.18063	1.8
554.53784	0.2
603.19135	0.2
682.89722	0.2
723.22815	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	723.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85910	0.7
55.95792	0.7
56.96569	2.6
62.89352	0.7
71.45176	0.7
84.96036	1.0
87.69864	0.7
94.47472	0.8
98.97575	15.4
102.88871	0.7
110.97567	5.9
116.98608	4.0
128.98624	4.9
140.98602	2.0
143.00137	3.8
146.99718	1.1
152.98604	1.3
158.99655	7.2
161.01233	2.4
170.99643	8.0
177.00716	3.7
182.99649	6.5
189.00694	5.5
201.00673	18.5
204.01341	0.9
210.01315	0.9
213.00729	1.6
219.01756	13.2
231.01819	2.1
237.02859	4.4
243.01743	8.7
261.02826	37.1
262.03323	1.1
273.02753	2.3
279.03867	13.9
291.03864	6.2
308.38779	0.8
321.04883	15.6
322.05054	0.8
351.06030	4.0
355.33167	0.8
381.07877	100.0
382.08170	3.0
399.08023	6.9
441.09149	44.8
442.09357	1.8
453.09134	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	3.0
58.35299	0.8
59.26902	0.8
65.37309	0.8
70.13130	1.8
77.36989	0.9
84.96056	1.0
95.48828	0.9
98.97567	19.1
98.98162	1.5
104.54230	0.8
110.97553	7.0
114.11588	0.8
116.98607	4.9
128.98567	5.0
140.98601	3.0
143.00165	5.0
146.99648	1.9
152.98601	1.4
158.99640	11.0
161.01237	3.4
170.99635	10.4
177.00685	5.5
182.99631	9.1
189.00710	5.5
194.99417	1.0
198.67789	0.8
200.47067	0.9
200.98799	1.2
201.00676	24.2
201.02423	1.6
213.00702	2.0
219.01743	17.6
231.01826	1.8
237.02831	5.8
240.02451	1.2
243.01736	10.8
247.04707	0.9
261.02798	50.4
262.03125	1.0
273.02841	3.3
279.03873	21.3
291.03696	7.5
297.04904	1.1
321.04910	17.2
322.05524	1.0
333.04959	2.8
351.06027	4.3
381.07806	100.0
382.08279	4.9
399.08060	7.9
441.09125	59.8
442.09299	2.4
453.09018	1.7
468.98865	0.9
471.09930	1.2
512.70923	0.9
543.12292	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44436	0.2
53.03955	0.4
53.42318	0.1
55.01868	0.3
55.05518	0.7
57.03429	0.2
66.38531	0.1
67.05499	1.6
67.86317	0.1
69.03420	0.7
69.07059	0.3
70.73751	0.2
71.04631	0.2
71.04990	2.0
77.03925	0.2
79.05494	2.5
81.03403	0.4
81.07053	7.1
82.20477	0.1
83.01326	0.2
83.04975	0.6
83.08607	0.3
85.02899	1.3
85.06526	0.2
91.05469	0.9
93.07043	1.3
94.32311	0.1
95.04965	4.8
95.08598	3.1
97.02889	2.8
97.06500	0.2
97.10179	0.4
99.04453	1.2
105.04557	0.2
105.07025	2.6
107.04955	1.0
107.08582	0.8
109.02861	1.2
109.06512	3.3
111.04436	0.7
111.08077	11.5
112.08426	0.3
113.09631	0.1
115.05437	0.2
117.06992	0.1
121.06505	0.7
121.10143	0.2
123.04420	1.3
123.08069	2.0
123.10875	0.3
123.11703	3.4
125.05988	0.4
127.03908	55.8
128.04288	0.6
132.20229	0.1
133.02911	0.2
133.06491	2.8
133.10109	0.3
135.04362	0.2
135.08038	0.3
135.49649	0.1
137.05963	0.5
141.12668	0.2
149.05960	0.3
151.03897	4.6
151.07526	4.5
151.11147	0.6
153.05476	1.2
155.06999	0.5
161.05968	1.9
169.04947	0.5
169.08607	0.9
169.12231	1.6
177.26915	0.1
179.07021	20.4
180.07420	0.7
187.13240	0.8
197.08078	100.0
198.08429	2.8
215.09113	0.2
277.14194	0.1
295.15356	0.3
319.15540	0.2
319.19009	0.6
329.17493	0.2
331.17325	0.6
341.12372	1.0
347.14203	0.2
347.18497	3.8
359.13315	2.3
360.13358	0.2
365.19562	2.4
366.19653	0.2
383.20447	0.5
383.24976	0.2
401.53912	0.1
491.22687	0.2
527.24640	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.05511	7.2
57.03440	1.7
57.07072	2.5
59.05001	1.2
65.03942	2.0
67.05503	14.0
69.03427	4.0
69.07068	3.8
70.00709	0.6
70.01022	1.2
71.04994	7.6
71.08633	0.7
74.54866	0.5
79.05495	4.8
81.03413	7.0
81.07054	74.9
83.08636	2.3
85.02886	5.0
85.06541	4.3
89.06023	1.9
91.05479	14.0
92.62119	0.5
93.07043	9.1
94.04182	1.2
95.01422	0.5
95.04445	0.7
95.04971	4.6
95.08606	15.1
97.02873	2.8
97.10170	8.2
99.04468	2.0
99.08086	1.8
101.46000	0.6
105.07036	2.4
107.04990	0.8
107.08611	4.0
109.02877	8.9
109.06515	2.7
109.10165	2.2
111.08064	2.4
113.06013	1.0
119.04942	29.0
121.10149	2.1
122.03610	3.4
123.11703	64.2
124.12006	1.1
127.03014	1.0
127.03911	13.6
131.04877	0.9
131.08595	0.7
133.10123	3.9
135.04430	0.7
137.05974	100.0
138.06305	1.9
139.11197	1.0
141.12733	1.5
144.72668	0.6
145.04958	1.1
147.04405	58.7
148.04727	1.4
151.07518	2.1
151.11171	13.6
162.51196	0.6
162.52750	0.5
163.07492	0.9
169.12234	40.2
179.07034	40.9
180.07364	1.4
187.13286	23.8
197.08098	9.6
209.66930	0.5
225.45964	0.5
229.14368	4.3
239.25900	0.6
249.14891	1.1
257.08176	0.7
262.35626	0.6
277.14285	5.4
277.31131	0.5
295.15396	22.1
313.16437	8.6
331.17499	60.4
332.17807	1.7
387.21982	0.7
457.20490	1.1
479.22409	0.6
550.25201	0.6
752.25891	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
54.31955	0.5
55.01881	2.9
55.05510	11.5
56.47285	0.6
57.03440	3.6
59.04998	0.6
61.02921	4.2
67.05157	1.0
67.05502	13.2
69.03423	6.1
69.07067	13.6
71.04977	1.1
71.45011	0.6
71.76314	0.6
72.34035	0.5
73.02911	1.4
79.05495	12.5
81.03415	6.3
81.07056	14.1
83.04972	2.9
83.08614	6.2
85.02911	4.3
85.06535	0.9
87.91846	0.5
91.03961	3.1
91.05484	9.3
93.07042	10.2
95.04971	5.1
95.08604	5.0
95.40102	0.5
97.02902	8.7
97.06521	2.0
97.10172	9.8
103.03915	0.6
105.07030	7.8
107.04950	4.2
107.08582	6.5
109.06497	1.7
109.10151	6.0
111.04433	1.0
111.08080	2.1
117.07031	3.8
119.04936	0.6
119.08570	7.2
121.06499	2.5
121.10143	3.8
123.08048	2.4
123.11707	0.9
125.00007	0.7
125.05972	0.6
125.09628	7.0
127.03916	1.0
129.07007	2.2
131.08559	4.2
133.06493	1.7
133.10092	4.8
135.04466	0.5
135.08076	2.5
135.11670	2.5
137.09599	1.4
143.08580	2.6
145.04996	1.4
145.10106	4.1
147.08009	4.0
147.11694	2.0
149.09605	1.8
151.11214	1.3
153.01796	1.2
157.10118	1.9
159.11687	1.8
161.09621	2.1
162.10341	0.9
163.06021	1.0
163.11165	1.1
165.09073	0.8
169.12346	0.7
170.78320	0.5
171.10249	0.7
171.11655	0.9
173.13379	0.6
175.11186	1.6
177.12732	1.5
181.12239	0.6
184.07356	1.0
189.11174	3.0
193.12195	3.5
195.13824	0.9
203.14270	0.7
205.12181	1.0
211.13336	2.0
217.16013	0.5
223.13275	13.7
227.12727	3.6
227.17880	0.9
229.14204	0.8
233.15263	0.6
245.13919	0.6
245.19060	1.2
249.14821	1.8
249.83353	0.6
253.14250	0.7
255.17267	0.6
267.15958	2.0
271.15277	0.8
273.18494	6.6
285.16946	9.8
287.05371	0.8
291.19531	58.0
292.19806	2.1
347.22141	2.9
365.23221	100.0
366.23535	3.1
383.24329	0.6
429.21213	1.2
459.26700	0.6
481.18103	0.6
485.31055	0.6
487.68262	0.6
509.27441	1.9
527.28497	4.5
724.35944	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	724.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33108	0.3
69.84042	1.0
79.01616	0.3
81.06975	0.4
91.05459	0.7
98.98463	3.8
104.10747	0.4
115.05425	0.4
117.06972	0.4
118.06532	0.4
125.00003	11.3
143.07306	0.5
144.08058	1.9
146.05978	2.5
161.80733	0.3
162.09129	0.8
164.07137	0.5
172.07573	6.2
176.00467	0.3
178.08614	5.5
179.14322	0.4
190.08606	4.6
196.09685	8.7
204.10188	21.8
205.10516	0.8
207.08829	0.8
208.09735	0.4
222.11238	61.0
223.11588	1.5
240.12302	6.9
256.26266	1.2
271.06046	0.8
287.05493	1.5
288.05911	1.2
300.28998	0.7
302.07800	2.4
320.08911	100.0
321.09186	2.9
706.36853	0.8
724.37982	5.2
725.38635	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
55.01873	1.6
55.05507	11.2
57.03176	1.4
57.03435	12.0
58.07378	0.8
61.02917	1.2
66.74698	0.9
67.05504	18.4
69.03414	3.8
69.07071	5.2
71.04989	2.7
71.45111	1.0
79.05486	19.3
81.03412	75.0
81.07050	19.2
83.04964	7.9
83.08611	17.4
85.02897	9.5
85.06518	2.3
91.05475	22.7
93.07045	11.3
95.04962	27.0
95.08607	8.7
97.02892	3.7
97.06523	4.0
97.10159	4.3
99.08125	1.3
105.04437	1.4
105.07022	20.0
107.04967	8.1
107.08585	6.6
109.06519	3.3
109.10168	4.1
111.04440	3.0
111.08060	7.9
115.05478	1.4
117.07021	3.7
119.04932	1.4
119.08572	13.8
121.06524	4.0
121.10123	7.8
123.04468	1.5
123.08096	3.3
123.11658	1.2
125.09607	2.2
129.06993	11.3
131.04901	1.1
131.08554	9.1
133.06493	2.9
133.10097	8.8
135.04449	1.0
135.08078	1.6
137.05966	3.1
137.09666	1.4
143.08551	1.8
145.06479	4.0
145.10121	3.0
147.04427	1.5
147.08022	4.9
147.11676	10.1
149.09578	6.9
153.01837	1.4
157.10091	11.4
163.03912	3.1
163.11166	2.7
165.12764	2.1
171.11693	1.2
175.11172	11.1
184.07381	2.7
189.11241	1.6
191.10536	1.0
193.12221	30.1
195.11700	1.4
205.12164	1.0
211.13269	12.8
227.12576	1.7
229.14452	2.0
233.15466	1.8
245.05374	1.1
249.15067	1.3
255.13826	2.8
267.15881	100.0
268.16202	2.2
273.14938	3.3
283.15390	1.4
285.16904	12.5
287.05576	2.7
339.23285	1.4
341.21164	1.4
349.21515	3.4
367.22592	9.1
385.23700	10.5
403.24670	3.7
433.25824	13.8
434.26123	1.2
441.26535	5.7
459.27383	74.0
460.27673	3.6
477.28461	45.4
478.28806	1.6
585.31049	1.1
724.26263	4.6
724.40155	4.6
725.38672	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	725.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.0
52.10061	0.6
53.03947	5.8
55.01864	2.9
57.03438	1.3
65.03931	5.7
67.05510	3.6
69.03426	15.9
69.07067	1.1
69.93591	0.6
70.62625	0.7
71.01359	0.7
71.05015	3.1
77.03927	1.4
78.40521	0.6
79.05501	5.7
81.03415	29.7
81.07058	1.9
81.36015	0.7
83.01337	2.0
83.04981	1.3
85.02901	5.6
91.05470	9.9
93.03416	3.8
93.07043	6.0
95.04964	68.7
95.08601	1.8
96.05278	0.9
97.02887	13.2
97.06503	0.8
99.04451	5.9
103.05447	3.5
105.03393	1.5
105.04526	3.0
105.07016	7.6
107.04952	33.9
107.08593	2.2
108.05315	0.6
109.02873	100.0
109.06499	3.5
109.10126	0.8
110.03143	1.4
111.04440	3.5
115.03953	1.4
115.05467	3.2
117.07011	14.4
119.04961	2.1
119.08582	4.1
121.02863	51.0
121.05721	0.9
121.06506	10.6
121.10130	0.5
122.03187	0.8
123.04421	20.9
123.08018	1.3
125.02343	8.4
125.05978	1.3
125.09617	0.8
126.95228	0.6
127.03909	44.6
128.04222	0.7
128.06244	1.8
129.07010	8.4
131.04910	4.7
131.08597	0.9
133.02840	9.0
133.06497	2.4
135.04410	3.1
135.08040	3.4
137.05977	2.8
137.09604	0.8
139.03891	9.6
141.07057	0.6
145.04961	17.3
145.06477	18.0
146.06891	0.6
147.04372	3.8
147.08031	5.1
149.02328	14.1
149.05980	11.0
151.03899	59.7
152.04187	1.6
153.01817	1.1
153.05464	10.3
155.04919	1.7
155.06030	2.8
157.06505	1.0
159.04439	3.1
161.05942	1.9
163.03883	3.1
163.07530	9.1
165.05482	2.2
165.06758	0.7
165.09116	1.3
167.03406	19.5
167.07080	3.4
167.08304	0.6
168.03745	0.6
169.04973	1.9
173.05984	13.7
173.07433	1.0
175.03923	7.7
175.07532	4.8
177.05479	10.3
181.05022	1.4
185.04446	19.1
189.05403	1.3
191.07014	19.2
193.05025	3.9
193.08542	3.1
195.06508	1.3
195.08115	0.7
201.05455	5.1
205.08650	0.7
207.06517	1.1
209.08063	1.3
213.07420	1.1
219.06514	13.0
235.05872	3.2
237.07529	11.4
253.07152	2.1
255.08585	34.5
256.08972	1.3
259.05963	1.3
265.08740	0.7
273.11334	0.7
275.05530	0.7
287.05472	5.3
289.02588	0.7
293.06467	10.2
297.09775	1.7
299.09183	0.7
307.11942	1.5
311.07574	30.3
312.07953	1.1
323.09097	1.3
327.11130	3.5
333.09668	2.1
345.09641	6.8
363.10718	40.6
364.11411	1.4
381.11774	75.0
382.12076	3.0
399.12625	3.4
507.15237	0.9
510.28061	0.7
525.16071	4.0
543.16364	1.4
545.34076	0.7
662.95197	0.6
725.26318	1.8
725.40356	16.7
754.75470	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
55.01880	0.3
56.38467	0.3
62.83403	0.3
63.89869	0.3
67.05496	0.4
69.03427	0.3
69.18063	0.9
69.18468	0.9
70.06590	0.4
77.09035	0.3
79.05500	0.9
81.03402	0.4
81.07080	0.4
82.11653	0.3
83.08628	0.6
85.02935	0.6
86.09714	0.3
89.03931	0.4
91.05494	0.6
93.07050	0.7
95.04980	0.5
96.01925	0.4
97.02868	0.3
98.22715	0.6
100.11268	0.9
103.05489	0.5
105.07083	0.7
107.04976	0.9
109.02878	0.8
110.09745	0.4
111.04468	0.6
112.02221	0.5
113.02120	0.4
117.03397	0.6
120.08085	0.4
123.04506	0.5
124.03949	0.4
124.45998	0.3
127.03934	0.4
129.29221	0.3
131.04955	0.7
133.10118	0.4
135.04457	1.4
137.06030	0.7
138.09195	0.8
145.02882	0.6
149.06026	0.4
149.13269	0.3
151.03891	0.5
161.05995	0.8
163.03888	6.1
163.05133	0.4
163.07556	0.4
165.05447	2.2
167.07043	1.3
169.04741	0.6
177.05521	1.2
182.15398	0.6
185.04233	0.5
185.07846	0.3
191.06998	0.8
193.08630	0.7
201.03708	0.4
209.08105	0.8
210.14929	0.8
217.04817	1.0
232.07057	6.0
232.09219	0.4
233.07877	0.4
265.09802	0.4
271.11600	6.3
271.14459	0.5
278.08615	0.4
295.10632	0.3
311.10281	0.5
333.14685	0.6
339.09787	1.0
371.12317	1.6
371.16702	8.6
371.21255	0.6
413.17761	0.9
453.21271	0.5
460.14456	1.0
460.45645	0.3
499.21783	2.0
515.21014	8.4
528.19531	0.5
531.14990	0.4
536.20526	0.6
566.14508	0.4
584.49207	0.4
622.18701	0.4
725.29846	100.0
726.30408	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	725.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01872	0.7
55.05509	2.2
57.03422	1.3
64.61963	0.3
65.03938	0.3
67.01517	0.5
67.01868	8.3
67.05504	7.5
68.99783	3.2
69.03112	0.4
69.03435	4.3
69.07066	1.6
70.69333	0.6
71.04989	0.8
71.08556	0.3
79.05492	5.6
81.02958	0.5
81.03416	6.4
81.07063	7.5
83.01348	0.6
83.04968	1.2
83.08607	0.9
85.02911	3.6
86.09674	0.4
89.03934	1.8
91.05479	5.2
93.07043	6.8
95.04958	1.7
95.08606	5.3
97.02895	3.5
97.06550	0.5
97.10166	0.5
99.04471	0.7
103.05445	0.3
105.07039	2.9
107.04998	0.5
107.08581	3.3
109.02870	2.1
109.06518	0.5
109.10143	2.5
111.00795	1.4
111.04435	1.3
111.08102	0.3
117.03397	2.0
117.07021	2.2
119.04922	1.2
119.08576	2.7
121.06477	0.5
121.10151	3.4
123.04418	1.0
123.08005	0.3
123.11707	0.7
125.02337	1.4
125.05997	0.6
126.21245	0.3
127.03903	1.9
128.06133	0.4
129.01860	1.6
129.05470	0.5
129.07011	0.9
131.05009	0.3
131.07701	0.4
131.08551	2.5
133.06464	0.4
133.10126	1.8
134.03642	0.4
135.00803	0.4
135.04420	1.8
135.11694	1.8
137.05974	3.7
143.08571	0.5
145.02818	2.0
145.10159	1.8
147.11667	1.6
149.05965	3.0
149.09633	0.4
149.13245	1.1
151.03943	2.3
151.07538	4.7
153.01825	97.5
154.02159	1.1
155.08598	0.5
157.10139	0.6
158.10144	0.3
159.07996	0.4
159.11694	1.2
161.13225	1.2
163.03911	4.9
163.14780	0.5
165.01819	2.6
169.10258	0.3
171.02888	43.9
171.11716	0.8
172.03322	0.4
173.11974	0.3
173.13240	1.4
175.07550	0.6
175.14821	0.3
177.01857	1.2
177.05472	32.5
178.05806	0.4
179.03403	10.4
179.04994	0.6
183.02853	0.9
184.07378	0.7
185.13290	0.6
187.03914	0.4
187.11179	0.4
187.14830	0.7
189.12804	0.5
191.03412	1.7
193.05006	0.9
195.02892	11.8
199.14783	0.3
201.05501	1.0
203.03375	0.3
207.02876	0.5
215.03374	0.3
215.07025	0.4
219.02885	2.6
219.06505	0.5
237.64223	0.3
239.14337	0.4
243.02977	0.7
243.20969	0.3
249.14597	0.3
259.20676	0.9
261.03967	3.9
261.07498	1.3
261.22128	2.0
277.21658	0.5
279.04880	0.4
285.07553	2.4
287.05545	0.4
289.21640	0.4
291.23477	0.4
303.08627	100.0
304.08960	3.7
315.08685	0.8
327.08600	2.1
341.24481	0.3
345.09729	3.6
351.23282	0.4
364.54129	0.4
369.09671	1.9
369.24185	0.7
387.25232	0.5
393.09653	1.3
395.11148	0.4
405.26544	0.6
411.10748	2.8
429.11688	0.6
469.44034	0.3
539.26190	0.4
557.27692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.9
55.05505	6.4
57.03428	0.9
65.03943	13.6
67.05502	17.4
68.99783	1.2
69.03429	13.5
69.50488	3.4
75.45625	0.9
83.04980	59.7
85.02901	21.9
87.04459	2.9
89.03925	2.1
91.05509	0.9
92.33219	0.8
93.03402	38.8
95.04975	7.8
99.00810	6.9
101.06052	1.4
107.04954	4.0
109.02818	0.9
111.04441	100.0
112.04778	1.1
113.02406	1.2
115.03941	2.7
117.01871	2.3
117.03383	2.9
121.02863	20.8
123.04423	10.0
129.05473	50.7
133.24295	0.8
135.03465	1.2
135.04422	14.0
136.05173	1.4
137.02327	2.4
139.03900	60.9
145.02863	5.7
145.27448	1.0
147.04402	0.9
147.06543	1.4
149.05878	0.8
153.06989	2.0
157.04967	53.5
163.03900	63.9
165.01857	1.3
175.06015	75.3
177.06995	2.1
181.05087	0.8
181.06456	4.5
193.07092	1.6
195.08049	2.1
197.06076	0.9
199.07541	2.6
203.03468	2.9
205.06470	10.7
217.06956	0.9
222.06406	1.1
223.07565	14.9
227.07036	2.9
233.05986	14.9
237.05452	1.5
241.08707	1.7
245.08150	5.8
249.05299	1.4
250.06058	2.0
251.07028	36.3
252.07298	1.4
255.06367	1.3
261.05426	7.8
263.06735	1.5
269.08093	26.2
270.08493	1.5
273.06046	39.8
279.06506	57.8
280.06927	2.8
283.05984	2.9
289.04892	2.3
295.05954	6.3
296.06375	6.0
297.07574	49.2
298.07925	1.5
307.06000	19.0
309.07443	1.2
314.07516	1.1
325.07056	44.9
326.07483	1.2
337.09274	1.3
343.08096	11.8
355.10306	2.5
377.08414	1.3
447.11340	19.3
458.03772	1.0
471.12805	1.3
499.12329	62.5
500.12741	2.1
517.05536	1.0
517.13373	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	726.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.3
53.03933	0.4
55.01871	0.4
55.05503	0.5
59.04987	0.8
64.73730	0.2
65.03931	1.2
67.05505	1.0
69.03424	1.5
69.07058	0.4
70.06575	0.3
70.38418	0.4
71.01334	0.2
71.05001	0.5
77.03924	0.6
79.05482	2.9
81.01575	0.2
81.03427	1.4
81.07061	1.7
83.04962	0.8
85.02908	1.0
85.06509	0.3
91.05474	8.4
91.06059	0.4
93.03400	0.2
93.07030	1.3
94.04218	0.2
95.04967	5.5
95.08598	0.7
97.02894	1.2
97.06519	0.3
99.04442	0.4
103.05459	2.0
105.03351	0.5
105.04529	0.7
105.07001	0.6
107.04951	8.5
107.08575	0.6
109.02874	8.5
109.06510	1.7
109.10128	0.4
111.04446	1.3
111.08074	0.7
115.03902	0.4
119.04937	20.6
119.08577	0.4
121.06508	2.0
121.10110	0.4
122.03642	0.4
123.04469	1.2
123.08056	0.2
123.11684	0.6
125.02321	1.4
125.09637	0.3
127.03891	2.0
131.04924	2.5
133.02853	0.7
133.06491	0.6
133.10083	0.3
135.04407	6.5
135.08076	0.3
137.05966	2.9
137.09584	0.3
139.03883	4.2
141.05434	0.3
145.02818	0.2
145.10056	0.2
147.04398	100.0
148.04762	2.0
149.05965	2.9
151.03899	4.1
151.07509	0.3
153.01808	0.3
153.05490	1.1
159.04407	2.7
161.05995	0.3
163.03925	2.2
165.05467	41.5
166.05821	0.8
167.07018	4.2
175.51236	0.2
177.05455	10.4
179.07019	1.6
181.04893	0.3
185.04514	0.3
191.05280	0.4
191.07027	8.2
193.08578	0.5
195.06544	2.3
195.08171	0.3
197.08116	2.2
209.08073	10.1
211.09637	3.0
263.09006	0.2
287.05502	2.3
288.05814	1.0
293.09915	0.2
303.08600	3.7
321.09653	3.7
339.10751	1.4
347.18701	0.4
349.09155	1.0
351.10666	0.5
365.19492	0.4
369.13312	0.2
379.21188	0.5
383.13184	0.2
397.22165	0.4
445.11682	0.3
476.18750	0.2
497.14413	1.2
515.15411	11.8
516.15692	0.7
529.16962	2.3
653.74365	0.3
659.19330	0.6
725.39630	0.4
726.26013	0.4
726.39740	1.0
727.25769	0.7
727.41443	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.2
53.03946	9.0
54.94123	0.9
55.01874	8.8
57.03439	3.8
58.36444	0.9
61.02920	2.1
63.69412	0.9
65.03934	12.4
66.12119	1.0
67.05505	3.4
69.03062	2.1
69.03429	37.5
69.03802	2.4
69.94736	2.7
69.95073	1.1
71.01351	3.6
71.04987	8.6
73.02921	4.2
77.03942	3.5
79.05492	10.4
81.03416	47.7
81.07055	4.5
83.01341	1.0
83.04979	4.9
85.02899	19.1
85.06535	1.3
87.04457	1.7
91.05467	23.2
91.42216	1.0
93.03403	12.3
93.07040	14.2
94.04174	1.3
95.04966	71.1
95.08585	1.4
97.02892	51.7
97.06509	1.8
99.04456	16.5
103.03964	1.2
103.05465	10.4
105.03383	1.7
105.04501	3.7
105.07014	10.3
107.01324	1.0
107.04948	40.3
107.05680	1.9
107.08578	4.4
109.02875	100.0
109.06503	12.8
111.04443	13.6
115.03998	1.3
115.05444	18.7
116.06282	1.0
117.07014	67.3
119.04943	3.2
119.08596	5.0
121.02863	96.8
121.03880	3.5
121.06496	27.6
123.04427	33.1
123.08084	3.4
125.01527	1.9
125.02348	19.8
125.06028	1.5
126.16781	1.1
127.03914	64.2
128.06242	3.5
129.06998	8.1
131.03418	1.4
131.04918	18.3
133.06509	7.9
135.04416	7.3
135.08044	21.8
137.05991	1.6
139.03893	69.1
141.05490	1.3
141.06960	1.5
145.05002	8.0
145.06479	90.6
146.06917	1.1
147.04399	7.9
147.08047	4.4
147.99432	1.0
149.02336	41.8
149.05963	26.5
151.03908	12.6
153.05463	16.5
155.04860	3.4
155.06036	10.8
157.06483	3.4
159.04416	26.5
159.07993	1.3
160.04987	1.2
161.05966	6.5
163.03882	2.4
163.07544	44.6
165.05510	7.9
167.03391	32.2
167.07037	5.3
169.06561	1.3
171.04373	1.3
171.08078	3.0
173.05983	92.3
174.06261	1.3
175.03923	11.1
175.07553	6.8
177.05473	16.6
177.09116	2.0
177.90456	1.1
179.03355	2.6
179.07076	1.4
181.04939	15.0
181.06429	1.6
183.04489	1.5
183.08041	1.3
185.04451	9.3
185.05901	2.3
187.07523	3.5
189.05444	5.7
191.07021	88.9
193.04985	1.4
193.08629	1.7
197.09746	1.1
199.05997	13.6
199.07646	1.8
201.05443	15.7
201.09148	1.2
203.07063	1.1
205.04858	1.2
205.08580	13.3
207.06593	1.0
209.08054	8.4
211.07524	1.3
215.07007	1.8
217.04982	2.1
219.06512	70.9
220.06828	1.3
223.09590	9.2
225.09151	2.6
233.07947	5.3
235.05913	1.8
237.07564	87.6
238.07925	1.6
239.05298	1.1
243.10213	2.7
247.06044	1.8
251.09169	14.0
253.06703	1.4
255.08621	14.4
269.06351	1.6
269.07263	1.5
269.10236	13.1
271.08041	1.6
273.07507	1.3
275.05600	3.0
277.37772	1.0
279.08667	3.5
281.08051	2.6
291.08630	3.3
293.06537	12.0
293.10147	3.3
299.09152	3.9
307.08130	6.9
311.07578	16.1
311.11252	3.5
317.10269	1.3
325.09140	18.6
327.08667	8.1
335.11230	1.2
343.10251	13.7
345.09692	24.5
359.11240	8.9
363.10715	45.8
377.12308	23.3
381.11768	57.0
382.12097	2.1
395.13290	19.6
396.13599	1.5
413.14154	4.7
460.49295	1.1
507.14990	1.8
525.16107	2.7
543.16986	2.0
726.40936	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01871	6.1
55.05511	17.2
57.03431	16.2
57.07063	2.5
61.02924	12.2
67.05505	47.6
67.05857	2.9
69.03415	8.6
69.07069	23.9
69.46303	11.2
70.06599	2.2
71.04993	5.4
73.02921	5.2
75.14922	2.4
79.05492	37.8
79.93813	1.9
81.03425	23.0
81.07051	59.7
82.03752	2.2
83.04965	8.2
83.08623	12.5
85.02893	17.2
85.06541	2.8
87.04424	2.4
87.52515	2.1
88.06560	2.1
91.03954	7.5
91.05476	32.3
93.07043	46.2
95.04945	12.1
95.08611	24.9
97.02898	11.6
97.06535	22.8
97.10143	6.4
98.22726	4.7
99.08093	5.1
103.03947	2.4
103.05445	2.2
105.04549	2.5
105.07024	28.5
107.04945	8.7
107.08590	28.9
109.02856	7.1
109.06503	10.2
109.10138	14.1
111.04441	2.8
111.08065	9.1
117.07003	13.4
119.08569	21.4
121.06525	6.1
121.10132	16.6
123.08055	5.3
123.11738	3.4
125.09620	6.0
125.38293	1.9
127.03895	10.5
129.07008	5.2
130.56651	2.1
131.04936	3.3
131.08577	17.5
133.10101	20.5
135.08020	5.3
135.11688	15.0
137.05995	3.5
137.09590	4.2
142.07672	2.3
143.08447	2.8
145.04979	5.4
145.06422	2.4
145.10136	11.1
147.04430	2.6
147.11665	11.9
149.09618	9.8
149.13252	16.1
151.11171	3.4
153.01782	3.3
157.10121	5.5
159.11690	22.1
161.13194	4.9
163.03918	10.3
163.06004	5.8
163.11192	6.7
165.05440	4.7
171.11636	3.2
173.04539	2.6
173.05927	2.6
173.13268	5.8
175.11346	2.2
177.12709	23.0
179.14243	8.2
183.11697	2.6
184.07320	2.5
195.13785	5.0
219.06601	2.1
227.12604	3.4
229.14352	3.5
229.19453	2.4
247.20575	3.0
251.16586	3.7
255.15894	44.5
257.19086	7.8
267.16010	3.0
269.17465	100.0
270.17587	3.2
271.06064	3.7
275.20044	19.9
287.05569	3.0
337.14301	5.7
349.23688	58.4
350.23996	3.3
355.15646	2.5
367.24759	28.1
413.21762	3.5
427.17978	2.9
484.98740	2.5
490.33109	2.5
493.27481	4.8
511.28809	9.1
529.30066	3.6
726.27203	22.8
726.39612	15.9
727.40552	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	726.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.9
55.01881	7.3
55.05515	21.2
57.03438	13.8
57.07126	2.0
61.02924	11.9
67.05504	60.5
68.38520	2.1
69.03434	12.3
69.07063	24.7
71.01373	3.2
71.05005	7.3
71.44965	2.5
73.02926	5.1
79.05492	50.8
81.03419	25.5
81.07059	69.4
83.04984	12.7
83.08630	15.2
85.02901	19.1
85.06555	3.6
85.32924	2.2
91.03956	7.2
91.05478	42.2
91.31761	2.0
93.07049	54.9
95.04964	13.2
95.08607	27.7
96.05283	2.1
97.02901	13.0
97.06535	22.0
97.10183	8.3
99.04472	4.9
99.08112	5.7
101.11851	2.0
103.05416	2.3
105.07032	30.6
107.04981	8.2
107.08590	38.3
109.02876	5.1
109.06533	6.9
109.10149	18.4
111.08089	7.0
117.07027	20.8
119.08593	22.6
121.02940	2.7
121.06529	4.2
121.10139	18.4
123.08070	6.1
123.11715	3.4
125.09648	7.8
127.03910	10.2
129.07024	4.4
131.08582	18.5
133.06505	2.7
133.10121	30.0
135.04442	3.4
135.08064	6.1
135.11670	25.3
137.05989	4.0
137.09593	3.4
139.03870	2.2
143.08540	5.1
145.04999	3.6
145.06499	3.8
145.10114	16.2
147.11728	10.9
149.09608	11.6
149.13269	17.4
151.11264	2.2
153.01848	3.8
157.10129	6.2
159.11703	27.2
161.13316	6.1
163.03914	7.3
163.06032	4.5
163.11203	7.3
164.11557	2.1
165.05536	3.0
165.12817	3.3
171.11641	3.5
173.13295	4.9
177.05498	2.4
177.12750	21.2
179.14317	7.6
181.12183	3.0
183.11711	4.6
184.07555	2.8
187.11075	3.2
189.12825	2.3
193.12212	2.9
195.13782	5.8
197.13333	2.5
208.08644	2.0
233.15437	3.0
239.18073	3.6
251.16476	4.8
255.15907	43.1
255.18341	3.7
257.18970	10.7
259.09622	4.1
267.16034	4.2
268.16254	4.1
269.17480	100.0
270.17847	5.6
271.05859	3.1
275.20056	21.7
287.05652	5.2
337.14209	2.3
349.23734	64.2
355.15237	3.7
367.24768	24.6
413.21744	6.7
419.24503	2.8
461.28702	2.8
500.57349	1.9
511.29211	9.6
562.68311	2.3
698.59528	2.3
705.11377	2.2
726.27740	7.4
726.39056	8.7
746.38574	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	726.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	4.5
55.01875	6.6
55.05517	25.0
56.20786	3.8
57.03449	22.8
57.07064	4.7
61.02925	36.5
67.05502	67.0
69.03433	17.8
69.07063	37.1
71.04991	7.2
73.02905	15.4
78.15369	3.3
78.97430	3.4
79.05499	65.5
81.03410	16.1
81.07056	84.7
83.04993	16.5
83.08612	16.9
85.02899	43.5
85.06570	4.0
91.03962	32.3
91.05483	62.7
93.06452	5.2
93.07043	89.6
95.04977	23.6
95.08611	44.2
97.02898	33.3
97.06526	13.2
97.10199	6.3
99.04429	6.3
99.08114	8.1
101.02393	4.2
104.10770	3.3
105.07045	60.5
107.04956	7.3
107.08600	47.5
109.06520	6.4
109.10170	13.5
111.04501	4.2
111.08097	8.7
117.07026	21.9
119.08594	43.7
121.06500	9.2
121.10140	36.7
123.08044	4.6
123.11687	5.2
125.09599	4.5
127.03912	14.9
127.07493	3.4
128.06232	5.2
129.05475	4.3
129.06999	9.2
131.08574	24.6
133.10121	43.7
135.08076	6.9
135.11688	31.2
137.09656	6.1
143.08551	8.6
145.04942	14.4
145.10141	25.7
147.11700	28.1
149.09645	16.0
149.13248	30.0
153.01912	3.5
155.08412	4.0
157.10117	11.2
158.41142	3.6
159.11726	31.4
161.09579	4.1
161.13222	19.0
163.03966	9.6
163.05986	7.6
163.11227	8.7
163.14774	5.4
169.10191	4.5
171.11685	9.4
173.13260	11.3
175.14836	12.5
177.12750	15.7
179.14334	6.0
185.13235	7.1
195.13826	15.0
199.14786	7.6
201.12726	4.0
219.13760	5.5
231.21040	4.5
240.06493	4.4
241.19478	14.2
255.15808	4.3
257.19003	8.1
259.20575	50.4
269.17456	100.0
271.05884	4.7
275.20099	30.6
277.21695	7.7
293.21140	8.3
333.24396	6.0
337.13892	3.9
349.23758	33.0
351.25302	91.0
351.29721	4.6
367.24271	4.2
459.27426	6.0
495.29309	6.9
628.62207	4.1
644.44305	3.8
727.34064	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	727.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.3
57.03434	1.9
59.05002	0.8
61.02931	3.1
67.05506	2.5
69.03433	2.8
69.07085	1.2
71.04993	1.3
71.11626	0.7
73.02930	2.2
79.05491	3.6
81.03417	4.2
81.07060	3.2
83.04975	1.2
83.08629	1.5
85.02914	3.7
87.04465	0.8
91.03960	1.6
91.05485	3.5
93.07047	3.3
95.04978	1.7
95.08615	1.1
95.61275	0.7
97.02878	3.3
97.10202	0.6
99.04453	0.7
101.02405	2.0
105.07066	2.5
107.04982	1.6
107.08610	2.3
109.06510	1.1
117.03384	0.8
119.08606	2.2
121.06543	0.8
121.10139	2.2
123.08083	0.9
127.03919	1.1
129.07031	0.8
131.04951	0.7
131.08617	1.6
133.10178	1.1
135.04451	1.0
135.11729	1.2
137.05951	0.8
145.02820	0.7
145.10139	1.6
147.11739	1.6
149.09669	1.3
157.10168	1.0
163.03902	5.6
163.11209	1.9
175.11327	0.8
193.12265	2.1
213.05576	0.9
242.04208	0.7
243.08472	2.4
259.52908	0.6
267.13812	0.8
283.15320	3.3
311.16354	0.9
337.14267	1.2
355.15356	4.0
467.18924	8.1
501.23090	8.3
572.20245	2.6
604.22766	2.0
727.35120	100.0
728.35510	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	729.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	0.9
70.69707	0.6
79.05513	1.1
81.07075	1.0
83.32086	0.4
85.02910	1.1
91.05511	0.6
95.01109	0.5
95.04984	0.7
95.08609	0.5
97.02951	0.7
103.05485	0.6
105.07071	0.8
107.04955	1.0
109.02909	0.6
112.01393	0.6
113.02141	0.6
117.44910	0.4
119.08617	0.4
121.10248	0.4
123.11710	0.7
127.03947	1.1
128.04385	0.5
129.07007	0.5
131.04941	0.9
133.06509	0.6
135.04395	1.0
137.05984	2.6
142.41562	0.4
145.02867	0.8
145.06473	0.7
147.04460	0.7
147.50371	0.4
149.02097	5.9
149.06075	0.4
151.03973	0.5
151.07588	0.5
153.05510	1.3
161.06017	0.9
163.03897	8.2
163.07561	0.6
164.04330	0.4
167.07037	6.2
169.04695	0.5
169.12418	0.4
173.06064	0.5
175.07611	2.0
177.05655	0.6
179.07031	0.8
181.04901	0.8
185.04279	1.0
185.38907	0.4
187.07549	1.0
191.07091	0.8
193.08665	1.1
197.08047	0.9
198.08513	0.5
201.03726	0.8
205.08572	1.0
209.11690	0.5
217.08647	0.5
219.06355	0.7
235.13332	0.4
249.09166	0.5
255.08374	0.6
269.12439	0.7
271.06445	0.4
271.11612	2.4
275.06955	0.4
291.10114	0.6
307.09882	0.5
319.09766	0.6
321.11325	0.6
325.09384	0.9
339.12439	1.4
341.13998	0.6
351.12378	2.0
353.15741	4.2
369.13412	0.4
371.16757	39.6
372.17407	1.6
416.05859	0.4
453.20892	3.5
473.10767	0.4
479.18866	3.3
497.19977	8.5
498.20743	0.8
505.24109	6.5
523.25513	1.3
549.23053	3.3
567.24036	5.2
650.73712	0.4
670.39539	0.4
729.29376	100.0
730.29761	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	729.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08365	0.6
60.99323	0.6
69.12788	4.9
76.20520	0.8
79.05482	0.8
92.05288	0.9
95.05009	0.7
115.81963	0.8
141.08090	0.7
151.76103	0.7
185.04144	1.3
203.05356	2.8
208.98903	0.7
259.07941	2.0
269.10574	1.4
300.09680	0.7
331.10001	1.3
331.18994	0.8
347.09546	2.3
365.10583	3.2
387.16611	0.9
387.21155	13.0
405.22531	1.7
421.13013	1.6
455.18982	2.3
469.20413	5.9
493.15247	3.8
535.19922	1.0
549.26984	6.8
567.27753	5.3
631.26239	3.7
701.33148	0.8
711.31689	10.7
729.32886	100.0
730.33087	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	729.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02132	0.6
55.05512	1.3
57.03432	1.8
61.02924	5.4
67.05509	3.4
69.03421	3.6
69.07090	0.8
69.97823	1.4
69.98152	0.6
71.05000	1.8
73.02900	3.1
79.05479	3.6
79.67883	0.7
83.04980	1.3
83.08624	1.3
85.02895	5.9
85.06563	0.8
87.04462	0.8
91.03971	2.2
91.05481	4.9
93.07044	2.1
95.04953	3.3
95.08634	2.3
97.02902	4.5
97.06535	1.6
99.04465	0.9
101.02380	1.6
102.01041	0.7
103.05524	0.6
105.04571	0.7
105.07029	3.7
105.19532	0.6
107.04963	1.5
107.08596	2.4
109.02894	0.8
109.10194	0.7
111.04429	0.6
111.08127	1.0
113.06059	0.7
119.08601	2.5
121.10164	2.2
127.03947	1.5
129.07013	1.5
131.08563	1.4
133.10152	1.8
135.08034	0.8
135.11807	0.7
137.05070	0.6
137.06012	2.5
147.11720	2.1
149.09662	2.3
157.10146	1.5
163.03932	1.2
167.07056	1.3
175.11238	2.0
181.05118	0.7
185.04314	1.2
193.12305	2.5
195.10492	0.6
197.08102	0.7
211.13499	0.9
243.08430	2.3
251.12540	1.5
267.15802	0.7
283.15063	4.6
287.05682	0.9
321.84692	0.6
339.17722	0.6
355.15167	0.6
367.96765	0.7
469.20370	11.2
469.26547	1.0
501.23056	10.7
502.23355	0.7
544.95483	0.6
604.31335	0.7
669.37946	2.1
729.36609	100.0
730.37164	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	730.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
55.01849	0.2
55.05507	0.2
57.03432	0.2
57.90546	0.1
63.02384	0.3
67.05504	0.3
69.03434	1.2
69.07047	0.2
69.33223	0.5
71.04981	0.3
73.02896	0.1
76.71289	0.1
77.03922	0.1
79.05486	0.8
81.02958	0.2
81.03416	3.1
81.07053	0.3
83.04945	0.1
85.02897	1.0
85.06551	0.1
87.87187	0.1
89.03911	4.0
91.05479	0.3
92.74167	0.1
93.07030	0.4
95.04954	0.5
95.08587	0.4
96.40604	0.1
97.02854	0.5
99.04469	0.1
105.07026	0.3
107.04951	1.7
107.08602	0.2
109.02880	1.3
109.06530	0.2
109.10167	0.2
117.03377	5.7
119.08591	0.1
121.06503	0.2
121.10144	0.3
127.03897	0.8
129.06992	0.3
131.04912	0.4
131.08499	0.2
135.04410	13.3
135.11671	0.1
136.04880	0.1
137.05978	1.1
138.06253	0.1
139.03903	0.1
145.02841	10.3
145.10078	0.1
146.03172	0.2
147.04398	0.1
147.11661	0.2
151.03886	0.2
155.04921	0.2
157.10141	0.2
158.05986	0.1
158.07162	0.1
161.09689	0.1
163.03891	100.0
164.04228	1.9
167.07021	0.3
172.05243	0.2
174.06740	0.4
175.07545	0.4
177.05466	0.2
178.08646	0.2
181.04944	4.1
182.05321	0.3
186.05589	0.2
186.09125	0.2
187.07516	1.0
188.08205	0.2
189.09106	0.3
201.05695	0.1
205.08501	0.1
206.08073	0.2
215.07031	0.6
233.08084	2.8
247.09709	0.6
252.23346	0.1
265.10742	0.8
268.00970	0.1
272.66302	0.1
307.08093	3.9
325.09152	7.2
326.09558	0.2
357.13168	0.1
371.14951	0.4
547.88397	0.1
729.43451	1.3
730.22650	0.1
730.31616	0.3
730.42780	0.9
731.35645	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	730.292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
57.03432	0.8
60.04542	0.7
61.02917	1.9
65.03913	0.9
69.03432	3.6
78.07969	0.6
79.05487	3.7
81.03423	6.3
83.04966	0.7
85.02905	15.7
87.04475	0.8
91.05476	3.0
93.03397	0.7
93.89389	0.6
94.04161	1.6
95.04968	2.1
97.02892	5.5
99.04427	1.1
102.04682	0.7
103.05450	2.4
107.04949	14.0
109.02861	2.3
109.06520	1.4
115.05437	9.8
117.06181	0.8
117.07007	13.6
119.08596	0.7
122.03621	3.6
123.04417	2.8
124.05214	1.8
125.05963	1.8
127.03919	3.6
128.06248	1.6
129.07022	6.3
130.04123	0.8
131.04892	3.7
131.08548	2.8
132.05698	0.7
133.02812	0.8
133.06456	1.4
135.04398	1.1
137.05971	75.6
138.06328	0.9
139.26474	0.6
141.06982	1.5
143.04939	10.6
144.05634	3.4
145.03900	1.1
145.04996	3.0
145.06467	29.1
147.04478	1.2
147.08044	1.9
149.06020	1.6
151.03860	2.6
151.07483	1.0
152.04657	1.0
153.05476	2.1
155.06003	4.7
155.07094	0.9
156.05685	4.1
157.06494	6.0
158.07260	1.1
159.04453	0.8
159.08037	5.9
160.05194	13.4
161.05978	3.9
162.07608	1.6
163.03899	2.6
163.06044	1.1
163.07460	1.5
165.05505	4.9
167.07037	30.8
168.07486	0.7
172.05176	2.1
173.05974	50.3
174.06682	3.1
175.07535	100.0
176.07896	2.7
177.05409	3.1
177.09050	0.7
179.07016	1.3
180.00438	0.7
180.08641	3.7
181.04996	1.0
183.06534	0.7
185.05992	1.6
186.06793	1.3
187.07530	41.0
188.07961	2.1
189.09081	5.9
190.04514	1.4
190.06229	21.8
190.07887	1.5
191.06995	2.0
193.08594	2.2
195.06531	1.6
197.08005	0.8
199.92886	0.6
201.09068	1.4
202.06239	3.9
203.06964	7.4
203.08611	0.8
204.07695	0.8
205.08591	91.5
206.08952	2.2
207.10188	0.8
209.08101	2.3
215.06923	0.9
215.08745	0.8
217.08591	38.7
218.07127	1.5
218.09042	0.9
219.08192	1.0
219.10181	2.2
221.09654	1.8
223.09630	1.3
226.06207	0.9
227.09149	3.3
231.07979	0.9
232.09004	0.7
233.09599	2.7
234.06709	1.7
235.09636	65.7
236.10075	1.3
239.07040	1.5
241.08609	3.9
246.06506	1.1
247.07509	1.1
247.09671	6.7
249.09117	3.2
251.10632	0.7
261.09073	5.6
263.06995	2.3
265.10699	60.8
266.11243	1.0
269.07910	1.5
271.05972	0.9
277.08575	2.9
278.09360	2.1
279.10068	0.9
281.11765	1.6
285.07571	5.0
286.08301	0.8
289.08524	1.8
293.11713	3.9
295.09555	1.5
300.09885	8.9
301.10678	3.8
306.08887	1.4
307.09601	1.6
309.11102	3.2
313.10681	2.0
321.11279	5.7
323.09073	1.3
326.11401	1.1
338.11401	1.6
339.12204	1.9
341.13867	4.8
353.13824	14.1
371.14899	42.1
372.15247	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	731.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.3
56.96582	0.4
63.72441	0.2
69.11005	0.2
69.74361	0.8
76.26955	0.2
79.05479	0.3
81.03423	0.2
85.02891	0.5
89.03925	0.3
95.05024	0.2
97.96465	0.2
98.23385	0.5
99.85342	0.2
107.04966	0.3
110.67613	0.2
117.03374	0.4
119.04977	0.2
135.04399	1.2
145.02858	1.0
147.04411	1.0
149.35190	0.2
151.03891	0.2
163.03896	6.6
164.04236	0.5
179.03268	0.4
185.02150	1.1
197.04237	0.9
198.66718	0.2
209.15402	0.3
215.05257	4.1
221.03030	0.3
271.04736	0.3
305.10318	0.3
331.08002	0.5
359.07385	1.4
377.08420	100.0
378.08630	2.9
385.24518	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	731.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.7
53.03942	2.2
55.01862	1.3
55.05518	0.6
55.12997	0.5
57.03446	0.7
59.94313	0.5
60.05173	0.5
61.02908	0.7
65.03922	0.6
66.96366	0.4
67.05495	2.9
69.03422	6.6
71.01346	1.2
71.04989	0.6
77.03915	1.4
79.05488	7.6
81.03406	4.8
81.07046	2.1
83.01356	0.5
83.04951	1.5
85.02891	3.6
87.59733	0.5
91.05474	3.8
93.07031	4.9
95.01334	0.9
95.04962	56.5
95.08605	0.8
97.02885	10.7
97.06530	1.3
99.04438	0.5
103.05455	5.4
105.03402	0.9
105.04500	2.6
105.07023	1.5
107.04948	52.7
107.37292	0.4
108.05309	1.0
109.02870	35.9
109.06509	3.8
111.04456	0.6
111.48175	0.5
117.06985	1.2
119.04915	1.4
121.02866	0.7
121.06493	10.1
123.04420	14.1
125.02346	44.5
125.05968	4.4
127.03893	6.1
129.05489	0.7
131.04906	4.3
131.08524	0.5
133.02829	1.7
133.06493	0.9
133.10078	0.6
133.29222	0.5
135.04411	5.0
137.05959	2.2
141.06950	0.5
145.02811	0.5
145.04971	1.7
145.06451	1.8
147.04419	0.8
147.08038	0.5
149.05972	19.9
151.03893	93.8
151.07472	1.3
152.04280	1.0
153.05467	8.5
159.04393	2.9
159.08113	0.8
161.05937	0.9
163.03891	8.6
165.05505	0.8
167.07036	2.8
169.04994	0.6
173.05981	1.3
174.06252	0.7
175.03874	0.9
177.05461	34.0
178.05890	0.6
179.06966	0.7
187.07480	0.6
189.07564	2.0
190.06288	0.7
191.06886	1.0
193.05019	0.9
194.68886	0.6
195.06512	100.0
196.06842	1.0
203.07034	0.8
205.08592	3.6
206.08992	1.1
209.15295	0.7
211.07559	0.7
213.07533	7.5
215.09029	0.5
217.08554	1.2
218.08862	0.5
231.89349	0.6
235.09506	1.1
239.07120	0.7
251.09140	1.6
265.10672	1.4
266.11032	0.6
271.09564	0.7
272.10028	0.7
295.07953	1.4
298.91632	0.5
301.22241	0.6
303.08560	1.0
303.75714	0.6
321.09634	3.7
325.09360	0.8
339.10669	10.2
343.13281	0.9
357.11749	18.0
389.11465	0.6
489.13962	3.1
507.14417	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.8
51.83939	0.4
53.03943	2.0
55.01865	1.1
55.05507	0.5
60.45073	0.5
63.72893	0.4
65.03943	0.6
67.05496	2.5
68.99857	0.5
69.03436	3.9
69.56522	1.8
71.01368	0.7
71.04989	1.5
76.14641	0.4
77.03928	1.9
79.05485	7.2
81.03407	3.8
81.07048	3.5
83.04974	0.5
85.02892	3.7
85.03313	0.4
85.06486	0.5
91.05482	3.8
93.07047	4.9
95.01326	0.9
95.04964	70.7
95.08590	0.6
97.02887	10.0
97.06527	1.2
99.04481	0.6
103.05462	5.6
105.03374	0.7
105.04535	3.0
105.07034	1.6
107.04948	51.0
107.08576	0.7
108.05331	0.7
109.02872	24.5
109.06504	2.2
109.10184	0.5
110.03184	0.6
111.04450	0.6
112.73058	0.4
115.03894	0.6
119.04902	0.5
119.08607	1.0
121.06496	10.5
121.10124	0.4
123.04424	15.2
123.05267	1.0
125.02347	29.9
125.05961	4.7
127.03902	5.0
130.81071	0.4
131.04944	3.7
131.05843	0.8
132.05394	0.5
133.02835	2.4
133.04912	0.6
133.06470	0.6
133.10181	0.8
135.04399	4.1
135.11754	0.5
137.05972	1.8
143.10660	0.6
145.04970	0.9
147.04453	1.2
149.05966	17.6
151.03896	100.0
152.04259	1.6
153.05466	11.4
153.06664	0.9
159.04427	3.0
163.03900	3.6
164.04230	1.0
165.05502	0.8
167.06982	1.1
177.05463	28.0
178.05771	0.5
179.07040	0.5
181.04980	0.8
195.06514	84.9
196.06882	2.0
197.08105	0.5
203.17984	0.8
206.60310	0.5
213.07564	23.8
214.08022	0.6
219.10115	1.3
221.18988	0.9
222.19455	0.5
232.42642	0.5
295.08109	1.5
305.87543	0.6
321.09784	1.9
337.03876	0.6
339.10733	7.7
357.11807	6.3
435.16306	0.5
731.26965	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.6
51.02935	0.5
51.41410	0.5
53.03954	1.5
55.01870	0.9
58.06406	0.5
63.25036	0.5
67.05508	1.8
68.83325	0.6
69.03427	5.1
69.47886	2.5
71.01357	0.9
71.04997	1.4
77.03938	2.3
79.05486	7.4
79.19901	0.4
81.03413	4.4
81.07050	2.4
83.01357	0.4
83.04975	0.7
85.02907	3.5
91.05478	3.0
93.07047	5.0
95.04966	65.4
96.05306	0.6
97.02886	10.3
97.03490	0.9
97.06574	0.9
98.43373	0.5
103.05479	4.8
105.03394	1.1
105.04491	3.7
105.07031	0.7
107.04953	52.8
108.05328	0.8
109.02876	31.6
109.06545	2.5
121.06502	11.0
123.04429	14.7
125.02351	38.6
125.05978	3.8
127.03936	4.7
129.05473	0.6
131.04922	3.8
133.02853	1.8
133.06493	0.8
135.04417	3.7
145.04970	1.2
147.04317	0.6
149.05971	19.5
150.06160	0.5
151.03900	100.0
152.04243	1.3
152.98981	0.6
153.05458	11.8
159.04431	2.9
167.03419	0.7
167.07002	0.9
177.05464	31.1
189.07675	0.7
195.06522	88.3
196.06828	1.9
213.07571	17.4
213.68240	0.5
239.71945	0.6
242.87636	0.7
251.09190	0.9
269.06467	0.7
287.07434	0.6
295.08109	2.2
303.08615	0.8
310.52435	0.6
313.08917	0.5
321.09756	2.6
339.10727	8.8
357.11777	13.3
358.12103	0.7
489.13852	1.0
507.14661	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.5
53.03950	1.5
55.01870	1.5
57.03441	0.6
65.03939	0.7
67.05510	2.5
69.03433	3.7
69.29160	1.6
71.01363	1.0
71.05003	1.5
73.02920	0.4
77.03919	2.4
79.05494	8.4
81.03419	4.9
81.07055	2.6
83.04991	0.9
85.02916	3.9
91.05479	3.8
93.07047	4.4
95.01341	0.9
95.04971	74.9
96.05305	1.2
97.02895	10.8
97.06540	0.6
97.24276	0.3
99.04463	1.0
103.05472	6.1
105.03396	0.8
105.04516	3.7
105.07014	2.1
107.04958	54.0
107.52709	0.3
108.05298	1.0
109.02881	26.3
109.06514	2.4
113.02397	0.3
117.03370	0.3
117.06992	0.4
119.04959	1.0
121.02887	0.5
121.06511	11.7
123.04433	17.6
123.08055	0.4
124.04813	0.4
125.02359	31.2
125.05971	4.8
126.02692	0.5
127.03925	3.5
131.04941	4.5
131.05919	0.6
131.08549	0.4
133.02829	1.7
133.06508	1.3
135.04417	4.3
135.07991	0.4
137.05997	2.6
137.09578	0.4
145.02849	0.5
145.04962	0.8
147.04410	2.1
147.08154	0.3
148.05080	0.3
149.02415	0.4
149.05984	19.5
149.46660	0.3
151.03906	100.0
152.04242	1.5
153.05475	10.7
159.04398	3.2
161.06015	1.4
163.03909	5.1
163.07526	0.9
164.04268	1.0
165.05527	1.2
167.03342	0.5
167.07019	4.1
168.07463	0.7
169.04916	0.4
175.03848	0.5
175.07562	1.0
177.05476	27.6
177.09042	3.1
178.05797	0.4
179.07127	0.3
181.04926	0.9
187.07506	0.4
189.09190	0.4
191.07034	1.0
193.08591	1.6
195.06532	75.6
196.06865	1.5
205.53441	0.3
209.08102	0.3
213.07579	23.0
214.07936	0.4
221.11742	0.3
261.09067	0.4
265.08679	0.4
269.10422	0.5
279.10272	0.3
280.07248	0.3
295.08234	1.3
298.05078	0.3
303.08682	0.7
311.12451	0.3
313.10425	0.4
321.09576	2.0
339.10678	6.4
340.12073	0.4
341.13678	0.7
353.13269	0.5
357.11801	6.6
359.15106	0.3
371.14789	1.4
415.20248	0.3
514.71088	0.4
533.16962	0.4
730.43976	0.4
731.29102	1.7
731.41187	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.8
57.03455	0.4
64.32645	0.4
66.65510	0.4
67.05508	1.7
69.03443	0.6
69.07071	0.6
70.68232	0.7
73.02936	0.4
79.05492	2.1
81.03431	1.3
81.07054	2.2
83.08629	0.6
85.02905	0.7
91.05486	1.6
93.07053	1.3
95.04990	1.1
95.08627	1.4
97.02908	0.7
97.06539	0.6
97.10123	0.4
105.07029	1.7
107.04987	1.7
107.08598	0.6
109.02909	1.5
109.06516	0.8
109.10182	1.3
111.08060	0.7
117.07030	0.6
119.08594	1.0
121.06454	0.4
121.10192	0.7
121.41889	0.5
122.03612	0.6
127.03932	3.6
131.04996	0.6
131.08611	0.8
133.10120	0.6
135.04442	1.0
137.05969	7.5
137.09639	0.7
138.06300	0.5
138.89983	0.4
147.04416	0.7
147.11641	0.5
151.03949	0.7
153.01868	0.6
161.06032	1.1
163.03888	3.4
163.07570	0.9
165.05530	0.5
165.09149	0.5
167.07109	1.4
173.02313	0.6
173.05936	2.1
175.07574	0.8
176.12111	0.5
177.05495	1.0
179.07117	1.0
181.05034	1.4
187.03947	0.8
187.07684	0.7
192.38153	0.5
193.12254	0.5
197.06429	0.7
197.08081	3.3
199.07755	0.4
201.05553	1.2
203.05338	1.4
203.07097	0.6
205.08716	0.5
209.08205	0.7
211.13327	0.5
213.05508	2.0
213.09210	0.5
215.07066	0.6
217.05003	1.0
225.05481	0.6
227.07082	0.7
229.05069	0.6
259.07935	1.8
277.09113	0.8
287.05518	1.0
313.14615	0.6
319.13602	0.7
329.13901	2.4
337.14398	3.4
347.09900	1.2
355.15396	6.6
357.13544	0.5
365.10602	3.1
373.16550	3.0
407.24338	1.8
419.35272	0.7
421.13016	2.1
429.98758	0.4
457.20453	4.1
471.22079	5.1
487.21649	0.8
493.15076	0.6
507.17365	0.5
517.21088	0.5
535.21515	0.7
569.29340	17.0
570.30121	1.1
619.25763	0.6
633.27545	1.5
731.34619	100.0
732.34955	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	731.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.8
57.03455	0.4
64.32645	0.4
66.65510	0.4
67.05508	1.7
69.03443	0.6
69.07071	0.6
70.68232	0.7
73.02936	0.4
79.05492	2.1
81.03431	1.3
81.07054	2.2
83.08629	0.6
85.02905	0.7
91.05486	1.6
93.07053	1.3
95.04990	1.1
95.08627	1.4
97.02908	0.7
97.06539	0.6
97.10123	0.4
105.07029	1.7
107.04987	1.7
107.08598	0.6
109.02909	1.5
109.06516	0.8
109.10182	1.3
111.08060	0.7
117.07030	0.6
119.08594	1.0
121.06454	0.4
121.10192	0.7
121.41889	0.5
122.03612	0.6
127.03932	3.6
131.04996	0.6
131.08611	0.8
133.10120	0.6
135.04442	1.0
137.05969	7.5
137.09639	0.7
138.06300	0.5
138.89983	0.4
147.04416	0.7
147.11641	0.5
151.03949	0.7
153.01868	0.6
161.06032	1.1
163.03888	3.4
163.07570	0.9
165.05530	0.5
165.09149	0.5
167.07109	1.4
173.02313	0.6
173.05936	2.1
175.07574	0.8
176.12111	0.5
177.05495	1.0
179.07117	1.0
181.05034	1.4
187.03947	0.8
187.07684	0.7
192.38153	0.5
193.12254	0.5
197.06429	0.7
197.08081	3.3
199.07755	0.4
201.05553	1.2
203.05338	1.4
203.07097	0.6
205.08716	0.5
209.08205	0.7
211.13327	0.5
213.05508	2.0
213.09210	0.5
215.07066	0.6
217.05003	1.0
225.05481	0.6
227.07082	0.7
229.05069	0.6
259.07935	1.8
277.09113	0.8
287.05518	1.0
313.14615	0.6
319.13602	0.7
329.13901	2.4
337.14398	3.4
347.09900	1.2
355.15396	6.6
357.13544	0.5
365.10602	3.1
373.16550	3.0
407.24338	1.8
419.35272	0.7
421.13016	2.1
429.98758	0.4
457.20453	4.1
471.22079	5.1
487.21649	0.8
493.15076	0.6
507.17365	0.5
517.21088	0.5
535.21515	0.7
569.29340	17.0
570.30121	1.1
619.25763	0.6
633.27545	1.5
731.34619	100.0
732.34955	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	732.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01871	0.2
55.05512	0.3
57.03408	0.2
63.02366	0.3
67.05497	1.0
69.03439	1.4
69.07043	0.3
69.18375	1.1
71.01378	0.2
71.04973	0.3
74.06059	0.2
79.05492	1.7
81.02963	0.3
81.03416	4.1
81.07043	0.8
83.04955	0.2
83.08639	0.2
83.74491	0.2
85.02905	1.1
89.03908	3.6
91.05469	1.6
93.07025	0.7
95.04969	1.0
95.08615	0.3
97.02876	1.1
97.06524	0.2
97.10162	0.2
99.04435	0.3
103.05388	0.2
105.07019	0.8
107.04947	2.9
107.08566	0.5
109.02880	1.5
109.10171	0.5
111.08031	0.2
117.03368	4.8
117.06969	0.2
118.89019	0.2
119.08562	0.6
121.06499	0.4
121.10116	0.4
123.04409	0.2
127.03931	1.0
129.06956	0.2
131.04926	0.4
131.08611	0.2
133.10129	0.3
135.04414	12.5
135.08020	0.3
135.87291	0.2
136.04822	0.2
137.02307	0.6
137.05995	0.6
139.56297	0.2
144.20825	0.2
145.02846	10.3
145.10091	0.2
147.04488	0.3
147.11708	0.2
149.09587	0.4
151.03867	0.3
153.01810	0.2
157.10139	0.2
159.04401	1.0
161.06023	0.3
163.03893	100.0
164.04202	1.6
165.05447	0.2
165.12831	0.3
167.07082	0.2
167.93839	0.2
173.02315	0.7
173.05969	0.2
174.21118	0.2
175.03920	0.3
177.05489	0.6
181.04953	5.5
185.05968	0.3
186.05261	0.2
187.03925	0.5
195.06491	0.3
199.03902	0.5
201.05531	0.2
202.54665	0.2
213.05447	0.7
226.37758	0.2
267.13840	0.6
269.08142	0.8
283.13229	0.2
293.11694	0.4
296.07919	0.2
307.08127	3.2
311.12885	0.2
325.09161	7.4
334.89594	0.2
337.14294	0.4
355.15405	5.6
373.16473	2.4
535.21332	0.4
569.29266	0.4
641.31281	0.4
642.31409	0.9
731.32727	1.0
732.34912	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	732.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.1
55.01871	2.7
57.03444	1.3
64.75471	0.8
65.03944	2.9
67.05505	2.9
69.03427	13.5
69.18356	5.8
71.01359	1.1
71.04993	2.9
79.05486	4.4
81.03414	20.1
81.07052	14.6
83.01357	1.7
83.04983	1.3
85.02901	4.7
91.05472	7.0
93.03396	2.9
93.07023	4.2
95.04962	53.9
95.08622	3.1
97.02893	10.4
99.04458	5.0
102.41943	0.8
103.05432	1.4
105.04542	1.5
105.07027	5.9
107.04950	28.0
107.08594	2.2
107.09391	0.8
109.02875	65.6
109.06521	2.5
111.04440	2.6
115.05476	2.0
117.07006	9.6
119.04937	1.8
119.08571	3.4
121.02857	34.3
121.06506	8.1
123.04427	19.8
123.05286	1.7
125.02361	6.6
127.03907	100.0
128.04272	1.9
129.06990	6.3
131.04935	3.5
131.08582	0.9
132.77594	0.9
133.02873	6.9
133.06465	1.7
135.04427	1.7
135.08025	4.5
137.05933	2.3
139.03879	9.5
145.04977	10.1
145.06490	17.7
147.04405	3.8
147.08052	5.0
149.02336	11.0
149.05957	9.0
151.03897	51.9
153.05482	7.9
155.04924	1.8
155.06032	2.3
157.06482	1.1
159.04407	1.9
161.05957	1.1
163.03856	1.6
163.07507	8.7
165.05434	1.7
165.09145	2.0
167.03394	15.2
169.04956	1.9
173.05984	12.4
175.03888	6.1
175.07521	5.0
177.05455	8.3
185.04436	15.9
191.07004	19.1
193.04961	2.2
193.08629	3.2
194.41202	1.0
195.06523	1.7
201.05473	4.4
209.08174	1.0
219.06505	9.8
227.05519	1.7
235.05974	3.7
237.07510	8.0
242.88768	0.9
253.07124	3.0
255.08633	22.4
268.94196	1.0
271.08157	1.1
279.08920	1.2
293.06540	7.4
297.09637	6.0
311.07614	13.3
327.10834	1.1
345.09814	5.8
363.10715	69.7
364.11133	1.8
381.11768	90.2
382.11914	2.5
399.12830	11.5
418.77063	0.9
459.14877	2.5
507.15091	1.6
525.16010	13.0
543.17053	16.0
561.18262	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	736.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01869	0.4
55.05514	0.2
61.64400	0.2
64.27222	0.2
65.03928	1.7
67.05509	1.3
69.03429	1.3
71.04183	0.3
71.04998	1.6
79.05495	2.2
81.03427	0.4
81.07049	1.6
82.04192	0.4
82.42017	0.2
83.04969	0.7
85.02905	2.6
85.06532	0.2
86.11602	0.2
91.05491	1.2
93.03387	0.4
93.07040	0.7
95.04971	4.2
95.08604	1.8
97.02894	3.1
97.06530	0.7
99.04453	1.3
103.05462	0.3
103.78747	0.2
105.04502	0.2
105.07037	2.7
107.04966	0.9
107.08592	0.7
109.02876	1.0
109.06516	2.6
110.03658	0.7
111.04445	0.8
111.08085	10.7
115.05503	0.3
117.07013	0.2
121.06512	0.5
121.10123	0.3
123.04449	1.4
123.08067	1.6
125.02463	0.2
125.05980	1.1
127.03913	52.6
128.04233	0.4
131.04893	0.3
133.06488	2.4
135.04402	0.6
137.05952	0.9
138.03123	0.3
140.04723	0.4
142.02757	0.2
143.79890	0.2
145.02835	0.3
149.05931	0.3
151.03891	2.4
151.07541	3.7
153.05457	2.8
155.07016	0.7
161.05960	1.4
163.03902	3.4
163.07463	0.3
165.09090	0.3
167.07018	0.4
169.04930	0.7
169.08595	0.9
171.06554	1.6
177.05420	0.3
179.07025	12.8
180.07372	0.3
181.04947	36.5
182.05257	0.6
193.08572	0.7
197.08086	100.0
198.08450	2.1
199.05992	0.3
211.09669	0.3
219.10170	0.5
276.11505	0.2
294.40121	0.2
313.50034	0.2
325.09146	0.4
341.12347	0.5
343.10251	0.5
359.13177	0.4
377.12119	0.4
395.13202	0.5
397.16229	0.4
736.25745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
53.62712	0.4
55.01862	1.3
55.05519	0.8
56.58635	0.5
57.03436	1.5
59.05002	0.9
64.77922	0.6
65.03934	1.2
67.05508	6.7
68.15097	0.5
69.03432	4.7
71.01358	3.3
71.04977	0.7
79.05493	7.7
81.03420	7.5
81.07053	6.6
83.01347	0.7
83.04978	0.7
85.02898	5.0
91.05474	9.1
93.03408	1.2
93.07050	20.2
95.04969	11.7
95.08598	4.2
97.02905	3.2
99.04445	1.3
99.74882	0.5
101.02356	0.5
105.03360	1.0
105.07030	2.1
107.04988	2.8
107.08599	9.4
109.02878	4.8
109.06518	2.5
109.10172	1.6
111.04474	0.8
111.08090	1.6
115.05476	2.0
117.07027	6.2
119.04949	9.2
119.08557	3.2
122.03603	0.8
123.04382	0.7
125.09576	0.6
127.03911	4.8
131.04936	1.3
133.06476	0.6
135.04430	0.7
135.08052	30.7
137.05981	29.9
137.09613	28.8
138.06364	0.7
139.03876	0.7
145.04980	1.4
145.06416	1.2
147.04410	22.0
151.03978	0.6
151.07573	2.5
153.09097	19.2
161.05981	1.3
163.03876	2.3
163.07541	51.7
164.07939	1.1
165.05484	1.2
179.07040	15.2
181.08597	100.0
182.08954	1.5
191.06947	1.3
195.06573	0.7
197.08148	3.5
199.09679	10.3
307.11676	4.9
325.12805	26.9
326.13144	0.7
341.13901	0.7
343.13870	30.2
344.14404	0.9
359.14893	10.6
451.15930	1.3
458.53156	0.6
487.17993	2.0
521.20258	1.0
547.19403	0.5
676.97235	0.5
736.26288	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
53.49357	0.7
53.85908	0.7
54.35574	0.8
55.05511	1.3
57.03422	1.9
57.07045	0.9
59.04992	0.9
67.05495	1.8
67.49618	0.7
69.03423	19.1
69.07066	1.9
71.33147	0.9
73.02906	5.9
81.07037	2.7
83.33029	0.9
85.02896	55.5
85.06495	0.8
89.85584	0.8
91.05469	2.3
93.07051	1.6
95.08595	2.4
97.02886	77.4
103.79599	1.0
105.07025	2.7
107.08577	2.8
109.06496	1.0
109.10149	1.6
115.03923	50.0
119.08573	8.8
121.10128	2.7
127.03892	9.5
131.08542	3.3
133.10097	3.8
135.11736	1.1
136.52455	0.7
142.73140	0.9
143.08542	2.0
145.10124	5.2
147.11656	2.4
149.05913	0.9
149.13248	1.6
156.72333	1.0
157.04953	100.0
157.10098	2.5
158.05246	0.8
159.11652	3.9
161.09708	1.3
161.13222	2.2
163.11121	0.9
169.10165	1.2
171.11668	3.5
173.13251	3.4
175.06004	87.5
175.14804	1.6
185.13274	3.0
187.14796	2.3
199.14798	2.6
201.16393	2.0
213.16393	1.3
215.14354	0.8
215.18025	1.0
231.17412	1.1
237.16475	1.0
239.17772	1.1
246.27087	0.8
249.18419	0.9
356.15604	1.0
385.29062	1.0
393.23651	1.0
403.29974	3.1
431.29446	5.9
449.30463	21.9
450.30746	1.9
467.31546	6.5
736.43048	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.6
56.55256	0.3
57.07060	0.4
58.06591	0.4
60.07866	0.4
60.08165	7.2
67.05486	0.5
71.07381	3.6
81.03394	0.4
81.07045	0.4
86.09708	34.3
91.05477	0.3
95.08598	0.4
98.98472	3.2
101.45524	0.3
104.10735	2.6
111.85316	0.3
113.73727	0.3
125.00008	23.4
142.86617	0.3
145.57985	0.3
180.96512	0.3
184.07343	100.0
185.07655	0.8
187.96979	0.3
213.97269	0.3
267.15973	0.3
561.57465	0.3
680.14276	0.3
688.45447	10.5
689.45660	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01847	2.2
55.05504	2.5
57.03409	1.6
57.07064	1.8
59.05004	6.7
61.02911	1.5
65.03941	1.2
67.05219	0.9
67.05504	10.6
69.03419	5.8
69.07062	7.2
69.34265	1.5
69.34688	2.9
71.01352	3.6
71.04992	2.6
77.03899	1.2
79.05482	16.1
81.03410	6.8
81.07052	39.9
83.04963	2.3
83.08596	2.1
85.02891	8.5
85.06532	6.1
87.04473	1.2
91.05483	7.7
93.07043	9.9
95.04969	17.5
95.08022	1.6
95.08599	27.3
96.49062	0.8
97.02885	6.1
97.06509	1.4
97.10165	1.1
99.04430	2.0
99.08068	3.1
103.03935	2.4
103.05466	7.9
105.03397	1.5
105.04525	1.9
105.07027	3.0
107.04945	81.7
107.08559	2.3
108.05234	1.7
108.70630	0.7
109.02870	80.6
109.06511	8.7
109.10140	3.1
111.04433	3.7
111.08041	1.3
111.11697	1.3
121.06509	15.2
123.04422	7.0
123.08033	0.8
123.11716	1.3
125.02329	8.2
125.05979	2.2
125.13277	0.8
127.03901	5.6
131.04924	9.8
133.02852	2.4
133.06476	2.5
135.04408	10.3
135.11703	2.8
137.05954	7.6
137.13234	13.6
138.06340	0.8
139.03889	45.2
139.07535	2.2
140.92845	0.7
141.05438	3.2
145.04947	1.0
147.04387	1.5
149.05969	28.4
151.02666	1.4
151.03883	26.2
151.07610	0.9
153.05440	4.1
153.12724	2.6
155.14285	8.7
159.04424	9.6
161.05951	2.9
163.03905	5.0
163.07498	1.6
165.05464	70.6
166.05827	1.7
167.07037	20.0
169.05020	1.1
171.13750	2.3
173.05998	0.8
173.15346	6.3
177.05453	71.2
177.12869	0.7
178.05760	1.2
179.07013	2.9
181.04959	0.9
181.08470	1.3
191.07007	17.3
191.16402	33.9
193.08519	4.3
195.06497	13.7
197.07991	1.1
201.14761	4.4
209.08070	100.0
210.08482	1.8
211.09711	1.2
213.07632	1.3
225.14911	1.5
227.09097	9.2
243.15819	2.1
279.15900	0.8
279.19424	1.4
287.05518	2.7
297.16946	1.8
305.17429	0.8
311.18436	0.8
321.09555	1.0
323.18481	5.3
339.10706	5.5
349.20038	26.1
350.20465	1.4
355.15228	0.8
358.02673	0.8
363.21240	1.3
367.16565	1.3
367.21082	12.4
368.21497	0.9
371.13055	1.0
381.22687	21.2
382.23080	1.0
399.23856	1.5
511.25391	6.6
511.98972	0.8
529.26385	5.3
533.18597	1.1
543.27771	5.3
598.20929	0.8
740.25763	1.4
740.39160	1.8
741.27185	4.1
741.39233	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
56.58633	0.2
58.41846	0.2
67.01882	0.4
67.05495	0.8
68.99795	0.5
69.07089	0.4
71.10947	0.3
79.05481	1.0
81.03423	0.4
81.07046	1.1
83.08607	0.4
88.45338	0.2
89.03912	0.3
91.05477	1.1
92.30614	0.2
93.07034	0.9
95.04954	0.5
105.07006	0.9
107.08599	1.1
117.07061	0.4
119.08596	0.4
121.10109	0.2
131.08549	0.4
135.04410	1.5
137.02344	0.6
145.10094	0.3
153.01823	5.1
161.02364	0.8
163.11192	0.4
165.01831	0.5
171.02948	0.6
175.96936	0.3
179.03439	0.4
213.05554	0.3
241.04947	0.5
250.93121	0.3
258.05441	0.3
275.20099	1.7
276.21033	0.3
286.04605	0.7
287.05496	100.0
288.05817	1.8
299.05505	3.0
325.06979	0.5
340.26144	0.3
367.11765	0.4
449.10840	0.8
463.17700	0.5
541.94867	0.3
543.23853	0.4
561.24426	0.9
579.25568	1.1
589.21228	0.3
625.23065	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.2
53.03957	0.3
55.01875	0.4
55.05510	0.2
59.05004	0.6
63.02390	0.5
65.03943	0.4
66.04692	0.2
67.05495	1.1
69.03436	0.8
69.15378	0.6
69.15788	0.5
71.01362	0.3
72.11989	0.2
77.03909	0.9
79.05488	4.4
81.03420	1.0
81.07053	0.7
83.04979	0.8
85.02898	0.9
89.03911	5.4
89.04463	0.3
91.05480	1.2
92.57545	0.2
93.03411	0.2
93.07029	1.0
94.04194	0.5
95.01360	0.2
95.04964	6.4
95.08600	0.4
96.05296	0.2
96.12375	0.2
97.02879	0.8
97.06541	0.3
103.05461	2.4
105.03397	0.6
105.04483	1.0
105.07004	0.9
107.04949	9.6
109.02872	9.2
109.03633	0.2
109.06520	1.2
109.10116	0.2
111.04446	1.4
117.03370	7.0
119.04913	0.2
120.08012	0.2
121.02822	0.3
121.06490	1.9
122.03629	0.5
123.00780	0.2
123.04377	1.0
125.02327	1.4
125.05969	0.3
127.03855	0.2
131.04909	2.6
133.02817	0.8
133.06487	1.5
133.10106	0.2
135.04407	22.4
136.04741	0.5
137.05971	2.3
139.03882	4.5
139.07510	0.3
145.02840	12.9
146.03136	0.4
147.04384	0.4
149.05969	3.1
151.03889	3.8
153.05444	1.5
157.04892	0.2
159.04419	4.3
163.03889	100.0
164.04228	1.7
165.05463	47.0
166.05786	1.1
167.05710	0.3
167.07028	4.2
170.53893	0.2
177.05458	9.8
178.05777	0.2
179.07066	0.2
181.04921	1.4
181.08475	0.2
186.05438	0.2
191.07021	9.8
192.33142	0.2
195.06490	2.3
197.08122	0.2
199.05997	0.2
209.08075	12.4
210.08405	0.2
291.08502	0.2
309.09555	0.3
319.08087	4.0
325.09134	0.2
337.09140	3.7
351.10693	0.6
355.10178	1.5
365.08539	1.0
365.12335	0.2
369.11694	0.2
383.13232	0.2
461.10266	0.2
479.16748	0.3
513.13867	1.5
531.14948	13.6
532.14911	0.6
545.16418	3.0
675.18481	0.6
693.19427	0.2
742.27118	0.6
742.39520	0.2
743.25500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.6
55.01874	5.8
55.05499	1.8
57.03432	1.7
65.03931	8.0
67.05496	3.3
69.03423	17.5
69.07076	2.0
71.04983	3.9
79.05493	8.5
81.03416	35.2
81.07050	4.5
83.01353	1.5
83.04980	3.8
84.08174	1.4
85.02911	9.2
85.06565	1.3
89.03930	1.7
91.05482	18.1
93.03400	5.3
93.07043	13.2
95.04967	51.3
95.08601	2.7
97.02892	25.0
99.04465	6.8
103.05458	5.5
105.03412	1.7
105.04492	3.1
105.07042	7.2
107.04953	33.7
107.08578	5.3
109.02881	94.0
109.06509	2.9
109.10088	1.6
110.03181	1.9
111.04454	9.8
115.05453	10.7
117.07017	40.7
119.04949	2.9
119.08610	6.5
119.60487	1.4
121.02857	51.9
121.06504	14.1
123.04427	22.9
125.02353	28.5
127.03910	36.7
129.06995	5.7
131.04950	12.3
133.06454	4.5
135.04352	6.5
135.08046	14.2
137.05948	7.0
139.03903	11.7
144.78502	1.4
145.02841	2.2
145.04994	4.6
145.06482	52.4
145.10091	1.5
147.04381	5.3
147.08017	4.7
147.77214	1.6
149.02364	15.0
149.05978	11.8
151.03912	14.0
153.05472	1.5
155.04948	2.6
155.06062	6.3
157.06435	1.4
159.04427	11.2
161.05969	9.4
163.03888	16.5
163.07539	37.9
165.05475	7.4
167.03392	17.7
167.07059	7.2
171.04427	2.2
173.05981	47.7
174.06337	2.2
175.03897	7.1
175.07553	4.0
177.05463	6.3
181.04929	2.1
185.04468	7.7
189.05447	5.6
191.07022	100.0
192.07347	3.3
193.04947	1.8
193.08560	7.1
201.05437	6.0
209.08081	40.5
209.10022	3.1
217.04980	1.8
219.06509	30.4
231.06293	1.9
237.07556	34.3
253.06998	1.6
255.08594	6.1
259.05804	1.5
261.07578	1.8
271.05951	5.1
275.05502	2.5
279.08566	5.8
281.08087	2.6
287.05545	1.6
293.06577	20.2
299.09116	3.9
309.07404	1.7
311.07547	11.0
327.08621	7.2
345.09708	24.9
353.02859	1.4
363.10718	84.1
364.10980	3.3
381.07181	2.3
381.11768	30.1
507.14828	4.8
525.15808	1.6
742.27094	2.4
742.41046	7.4
743.28595	3.8
743.41022	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	742.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.05505	9.5
57.03442	5.7
59.05013	1.5
61.02931	2.0
65.03927	1.7
67.05505	19.3
69.03432	31.5
69.07066	9.2
69.38735	4.1
69.39146	2.2
71.04951	1.2
72.66669	1.2
73.02913	1.8
75.04469	1.3
77.26880	1.0
79.05495	27.7
81.03402	2.5
81.07060	31.8
82.91778	1.3
83.04958	1.6
83.08628	3.9
85.02908	24.1
85.06579	1.4
87.04475	15.1
91.05482	29.4
93.07047	100.0
95.04982	11.3
95.08606	22.1
97.02885	21.8
97.06535	2.5
97.10145	1.5
98.55370	1.1
99.04435	1.6
105.04509	4.5
105.07032	24.0
107.08593	99.6
109.06507	4.9
109.10152	13.2
111.11706	1.2
115.03937	26.8
117.07021	3.3
119.08579	14.7
121.06503	1.7
121.10140	17.0
123.11681	6.7
127.03928	3.6
129.06941	1.6
131.08577	9.5
133.04971	26.0
133.10123	13.5
135.11693	76.2
136.11954	1.9
137.13258	3.0
143.08527	1.5
145.04926	3.5
145.10135	10.1
147.11679	9.6
149.13261	4.0
150.07613	2.5
153.12727	4.4
155.08589	1.2
157.10135	3.4
159.11681	10.8
161.13287	4.3
163.14883	1.7
173.13246	6.1
175.14806	2.1
177.12729	4.7
185.13277	2.0
187.14801	4.6
189.16350	1.8
201.16367	3.0
229.19492	3.2
251.20515	1.4
259.08182	2.0
263.19891	1.5
267.15958	4.4
277.09235	1.9
277.21677	1.9
279.16034	1.2
279.23129	2.0
289.21436	2.2
291.23090	3.1
295.10193	2.9
299.23523	1.4
303.23157	1.3
336.79990	1.3
343.26627	2.6
345.27823	4.2
413.34042	4.7
638.60297	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37497	2.8
53.03939	4.5
55.05513	23.6
57.03437	16.7
59.04995	2.7
62.02438	2.3
67.05501	55.8
69.03434	4.9
69.07063	16.0
71.05014	4.3
79.05499	39.1
81.03415	61.4
81.07053	60.4
83.04984	13.7
83.08606	19.9
84.14743	3.0
85.02908	29.9
85.06542	4.0
91.05479	43.1
93.07047	37.2
95.04972	28.6
95.08601	32.7
97.02881	6.2
104.00404	2.8
105.07031	33.9
107.04960	5.2
107.08614	17.8
109.06526	5.3
109.10143	14.9
111.04490	3.7
111.08083	9.2
113.80085	2.8
117.07047	4.8
119.08562	22.3
121.10155	14.1
129.07010	9.4
131.08562	17.5
133.10152	17.6
135.11697	8.8
137.09621	4.0
142.07779	3.0
145.10155	8.0
147.08014	4.4
147.11714	18.5
149.09656	6.9
149.13263	3.6
157.10143	13.6
159.11717	7.2
161.13310	3.6
175.11206	15.5
184.07425	5.1
193.12233	43.5
211.13272	68.6
243.21068	3.0
261.22137	11.0
267.15854	16.8
277.21649	3.1
285.16980	91.9
286.17273	3.8
317.24686	3.4
335.25793	85.0
353.40051	3.2
369.45547	3.0
527.36975	13.2
545.38397	100.0
546.39001	5.0
587.53674	3.7
742.81842	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	744.271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01862	1.2
62.86194	0.5
65.03934	1.5
66.75088	0.5
67.05507	1.6
69.03422	1.4
76.14259	0.4
77.03922	0.5
79.05495	6.4
81.03405	1.5
81.07048	0.6
82.78378	0.4
83.04970	1.2
85.02892	1.0
91.05479	11.5
93.07049	1.3
95.01372	0.6
95.04961	4.5
96.17787	0.5
103.05473	3.6
105.03374	1.9
105.04488	0.9
105.07018	1.2
107.04951	30.2
109.02901	3.7
109.06513	8.0
111.04446	0.8
111.08118	1.0
115.05465	1.5
117.06996	1.7
118.54150	0.5
119.04945	22.1
121.02842	2.4
121.06519	2.7
123.04408	3.0
127.03911	1.2
128.06296	0.5
129.06984	1.1
131.04901	5.1
133.02841	0.8
133.06454	2.5
135.04408	2.0
137.05957	3.5
139.03944	2.4
141.05466	5.5
141.06578	0.5
141.07031	0.8
143.04861	0.8
143.50180	0.5
144.05737	0.5
145.06488	2.9
147.04402	100.0
148.04762	1.3
149.02377	0.7
149.05975	4.8
151.03909	1.3
151.07553	1.1
153.05455	1.4
155.06033	0.7
157.06499	0.8
159.04378	2.6
161.05986	1.6
163.03944	0.7
163.07471	0.8
165.05487	17.6
165.06844	0.8
167.07037	30.3
167.08368	1.1
168.21362	0.5
169.06435	0.8
171.04375	3.1
171.08072	0.8
173.05946	3.3
175.03920	3.3
175.07506	1.0
177.05461	6.1
178.07832	1.0
179.07138	1.1
179.08554	2.0
181.05130	0.6
181.06407	2.8
181.08685	0.9
182.07231	0.9
183.04413	1.0
183.07948	0.5
185.05884	0.6
189.05450	2.0
189.07019	0.6
190.06255	0.9
190.07750	0.6
191.07007	3.2
191.08580	0.8
193.10040	0.9
194.07326	0.9
195.06416	0.6
195.08008	0.9
197.05913	2.7
197.09634	1.3
199.03888	3.9
199.07541	2.5
201.05467	1.7
202.07759	0.9
203.06886	0.8
203.08643	2.3
205.08638	1.1
206.08910	0.6
207.06453	2.6
207.08142	3.4
209.06137	0.6
209.08061	17.5
210.06749	2.9
211.07570	0.5
217.04956	5.2
217.08539	0.8
221.09668	2.8
223.07535	1.0
225.05452	1.1
225.09023	2.6
227.07016	4.3
229.05016	1.3
231.06184	5.7
231.08179	2.7
233.07899	1.3
235.07500	1.7
235.09566	0.6
237.09123	0.7
243.06282	0.6
249.07515	3.7
249.09332	2.3
251.07071	2.5
253.04782	0.6
253.08600	13.6
255.06528	1.1
257.08072	0.9
259.07513	1.5
265.10794	0.6
267.10150	8.1
277.08597	4.7
279.06555	1.5
279.09869	1.0
281.08109	0.9
283.09641	5.6
285.07382	1.1
285.11111	1.3
291.10229	1.3
295.09662	9.2
305.08026	7.3
309.11209	1.9
311.12714	1.0
321.09680	4.3
323.09128	17.1
324.09326	0.6
327.12231	3.2
337.10764	2.3
339.10785	2.1
341.10309	0.9
355.11728	12.6
355.15161	0.6
356.12488	0.7
373.12598	2.6
403.13779	0.6
450.10934	0.5
518.16669	0.5
529.16754	2.3
547.18195	10.0
548.18469	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18090	0.3
53.03941	0.6
55.01870	0.5
55.05511	0.7
56.30187	0.3
56.89669	0.3
59.01394	0.4
59.04988	1.1
65.03919	1.6
67.05497	2.4
69.03411	0.7
71.45013	0.4
77.03934	1.0
79.05495	10.3
81.03430	3.0
81.07052	1.1
83.04978	1.0
85.02901	1.3
91.05479	7.6
93.07056	2.6
95.01336	0.5
95.04971	4.6
95.08596	1.6
103.04832	0.6
103.05472	5.9
105.03406	0.7
105.04509	1.0
105.07017	1.3
107.04954	35.8
107.08553	0.4
109.02855	1.0
109.06551	1.5
111.04435	2.1
111.08058	0.9
115.05418	1.5
117.07016	1.0
119.04943	13.9
121.02843	1.8
121.06496	4.3
121.10148	0.4
123.00798	0.5
123.04423	1.0
125.05988	0.5
127.03898	1.0
129.07048	0.6
131.04922	4.8
131.08488	0.4
133.06485	2.1
133.10066	0.4
135.04416	4.0
135.11697	0.6
137.05959	2.6
139.03891	1.7
139.07532	1.1
141.05463	0.5
143.04926	0.5
144.05734	0.4
145.06496	1.3
147.04405	100.0
148.04753	1.4
149.05991	5.0
151.03897	2.5
153.05466	2.2
155.04866	0.8
155.06046	0.5
157.08609	0.7
159.04422	3.7
161.05966	0.9
161.13261	0.5
163.03963	1.9
165.05486	9.0
165.06822	0.3
167.07039	38.2
168.07356	0.9
171.04404	3.8
171.07961	0.5
173.05994	1.1
175.03912	0.6
175.07515	0.5
177.05455	5.8
178.07729	0.4
181.06480	0.7
181.08603	0.5
183.04393	0.6
185.06027	0.4
188.04726	0.4
189.05597	1.5
191.07045	2.1
193.04953	0.5
193.10149	0.4
195.06564	0.8
195.08112	0.4
199.03912	5.6
199.07570	0.4
201.05424	1.0
202.07742	0.7
203.06906	0.5
203.08549	1.3
207.08043	0.9
209.08083	47.9
210.08444	1.0
211.03813	0.6
215.08626	0.6
217.04973	4.5
221.09711	1.7
223.07207	0.6
223.68938	0.4
225.09090	0.6
227.07013	1.2
227.09135	0.4
229.04996	0.7
231.06230	5.8
231.08228	1.8
233.09741	0.5
235.07500	0.7
249.09427	1.7
249.11237	0.4
251.07010	1.1
251.10544	0.5
253.08632	0.5
259.07437	1.2
261.09039	0.5
267.10150	5.7
275.06845	0.5
277.08591	3.1
279.09998	0.4
281.44174	0.4
282.04056	0.4
283.09622	5.4
285.11057	0.4
287.07135	0.4
291.10114	1.3
295.09705	1.1
297.11365	0.5
305.08069	3.6
309.11261	1.7
311.12982	0.6
321.09744	1.2
323.05640	0.5
323.09155	7.0
327.12360	1.8
337.10641	1.1
339.10706	4.3
341.10172	0.6
355.11728	2.5
367.10501	0.3
373.12650	0.8
387.14145	0.5
471.12625	0.4
497.13977	0.9
515.15173	0.4
529.17206	2.3
547.18127	8.6
725.80579	0.4
744.30756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01877	1.3
57.03438	0.5
61.02864	0.4
65.03947	0.6
67.05514	2.1
67.16292	0.4
69.03429	8.1
70.32191	0.9
71.01345	1.5
71.04987	1.5
77.03924	2.3
79.05491	9.0
81.03423	4.3
81.07051	1.8
83.04981	0.7
85.02884	3.6
85.55125	0.4
91.05476	3.0
93.07040	4.3
95.04967	59.3
95.08591	0.9
96.05317	0.5
97.02895	8.5
97.06518	1.4
98.22682	0.4
99.04436	0.9
103.05466	6.4
105.03383	0.9
105.04492	2.7
105.07035	1.1
107.04955	59.8
108.05281	0.7
109.02879	40.8
109.06507	3.8
110.03297	0.6
113.02326	0.5
119.04964	0.6
121.02890	0.6
121.06505	12.6
123.03513	0.5
123.04430	14.5
125.02354	41.2
125.05966	3.4
126.02707	0.5
127.03902	5.1
129.05516	0.5
131.04948	4.6
131.05945	0.7
133.02849	2.1
133.06487	0.9
135.04408	5.6
137.05986	1.0
139.03903	1.9
141.91367	0.4
145.04970	1.2
147.04398	0.7
149.05972	22.3
151.03905	100.0
152.04239	1.6
153.05484	9.9
159.04427	3.7
163.03847	0.5
165.05478	9.2
167.03415	0.7
167.07048	5.0
169.04987	0.7
175.03850	0.6
177.05472	43.5
178.05743	0.7
189.07574	1.2
191.06923	1.0
195.06525	97.0
196.06932	2.0
209.08084	5.3
213.05573	0.6
213.07529	4.2
217.40642	0.4
227.09056	2.7
233.08083	0.8
251.09088	1.6
252.25987	0.4
269.06503	0.8
269.10193	0.5
271.36179	0.4
277.06705	0.5
287.07657	0.4
295.08105	2.3
303.08493	0.4
321.09579	3.5
339.10727	10.9
340.10965	0.4
357.11798	18.7
358.12268	0.7
489.13565	0.9
533.15814	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01864	1.4
55.16019	0.3
59.05005	0.4
61.02929	0.4
65.03928	0.4
67.05501	3.3
69.03434	6.9
69.27331	1.7
71.01353	1.7
71.04992	1.5
77.03907	2.4
78.04694	0.3
79.05493	10.0
81.03419	4.8
81.07056	2.7
83.04985	0.7
85.02911	4.3
91.05477	4.6
93.07044	6.1
95.01334	0.7
95.04967	65.2
95.08584	0.6
96.05289	0.5
97.02893	12.4
97.06532	1.3
99.04471	0.7
103.05466	7.1
105.03393	1.0
105.04494	3.8
105.07014	0.8
107.04955	64.5
108.05254	0.6
109.02878	42.9
109.06525	3.4
110.03173	0.4
111.04436	0.6
112.92862	0.3
117.54174	0.3
119.04933	0.6
121.02888	0.6
121.06503	13.9
123.04430	14.5
125.02354	39.8
125.05981	3.8
127.03917	5.7
131.04941	4.3
133.02856	2.1
133.06499	0.5
135.04424	5.7
137.05952	1.3
139.03903	3.3
143.03415	0.4
145.04950	1.9
145.06644	0.3
147.04395	1.0
149.02255	0.5
149.05984	22.4
150.06316	0.4
151.03902	98.7
152.04219	1.4
153.05450	8.4
159.04427	3.4
163.03856	1.0
165.05490	10.6
167.03340	0.5
167.07030	5.0
172.20549	0.4
173.05945	0.5
177.05470	41.4
178.05862	0.7
180.16328	0.4
187.07524	0.4
189.07452	0.5
191.07021	0.7
193.04953	0.5
195.06525	100.0
196.06885	1.6
205.08519	0.4
209.08090	6.6
213.05588	0.7
213.07573	7.8
213.09566	0.4
227.09134	3.7
233.07985	0.6
251.09195	1.7
269.06479	0.4
285.07596	0.5
287.07739	0.7
295.08139	2.7
296.75778	0.4
303.08725	0.5
321.09732	3.1
339.10730	9.5
340.10516	0.5
357.11807	15.6
358.11859	0.8
413.87155	0.4
489.13644	0.8
583.45526	0.4
701.77332	0.4
740.07813	0.4
745.41846	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01868	2.2
55.05516	0.9
57.03434	1.0
59.05001	8.7
61.02907	0.5
65.03922	1.0
67.05501	4.6
68.02645	0.7
69.03430	4.8
70.18394	0.8
71.01352	3.7
71.04983	1.3
73.02931	0.5
73.07626	0.4
77.03915	1.9
79.01865	0.8
79.05490	19.5
80.02634	0.4
80.05833	0.5
81.03416	10.6
81.07055	5.9
83.01335	0.7
83.04990	3.5
85.02896	5.2
85.06524	0.4
87.04455	0.7
91.05478	6.2
93.07041	8.8
94.04184	1.0
95.01364	2.3
95.04965	29.5
95.08598	1.2
97.02881	5.7
97.06547	1.0
99.04433	1.3
103.03979	1.8
103.05465	10.6
105.03424	1.8
105.04517	3.9
105.07024	1.6
107.04950	84.4
108.05290	0.8
109.02874	100.0
109.06512	7.4
109.10132	0.6
110.03204	1.1
111.04449	4.7
111.08041	0.4
113.02380	0.5
115.05459	0.7
117.07021	0.8
117.78268	0.4
119.04948	1.4
121.02887	0.5
121.06502	19.1
121.10130	0.6
122.03617	0.9
123.04422	10.0
125.02349	19.9
125.05959	2.3
127.03913	4.8
129.06964	0.5
131.04921	9.0
133.02850	2.6
133.06483	1.2
135.04413	5.2
137.05980	10.7
139.03897	47.0
139.07520	1.0
140.04214	0.8
141.05435	1.5
145.04900	0.8
145.06502	0.4
147.04395	2.3
149.02367	0.7
149.05972	33.5
150.06357	0.6
151.03899	54.9
152.04247	0.5
153.05458	11.8
157.06454	0.6
159.04396	6.1
159.05553	0.7
161.05997	1.2
163.03891	2.8
163.07550	1.1
165.05472	61.0
166.05779	0.7
167.07034	14.9
169.04982	0.6
173.06001	0.8
175.03902	1.1
175.07512	0.6
177.05463	85.2
178.05771	1.2
179.07193	0.5
181.04936	1.3
181.08597	1.5
183.06517	0.8
187.07521	0.8
189.05455	0.7
191.07037	4.7
193.05035	0.6
193.08588	0.6
195.06520	31.6
196.06807	0.6
209.08078	74.6
210.08435	1.6
213.07565	18.4
213.09631	0.9
214.07811	0.5
227.09042	1.9
227.91969	0.4
239.07028	0.4
253.08499	0.4
269.10184	1.0
280.11621	0.5
283.09579	0.7
295.08185	1.2
301.09174	1.0
303.08603	1.2
307.09540	0.5
321.09634	2.6
339.10654	5.6
340.12970	0.5
353.12375	1.2
371.13232	1.1
422.65991	0.4
481.12961	0.6
507.14792	1.4
533.16547	1.1
745.28467	1.8
745.43250	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	745.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01873	1.4
59.05003	1.2
61.89900	0.7
65.03948	1.1
67.05508	2.8
69.03426	7.3
69.07057	0.8
69.35767	3.7
71.01351	2.1
71.04997	1.7
77.03921	1.7
79.05495	10.3
81.03427	6.2
81.07049	3.8
82.24082	0.6
85.02900	5.1
91.05465	4.5
93.03355	0.7
93.07047	7.4
95.04965	64.4
95.08601	1.5
96.05293	0.8
96.95467	0.7
97.02888	9.9
97.06530	2.0
99.04424	0.8
103.05455	7.8
105.04499	3.7
105.07024	1.7
107.04951	66.4
108.05263	0.9
109.02876	50.0
109.06529	3.9
110.03279	1.0
111.04468	1.5
121.06503	12.8
121.85099	0.8
123.04421	15.6
123.11641	0.7
125.02352	38.8
125.06025	4.0
126.02696	0.8
127.03909	6.3
129.06987	1.1
131.04977	4.7
131.05849	1.1
133.02827	1.6
133.06500	1.0
135.04420	7.5
137.05978	5.3
139.03909	3.5
145.02882	1.0
145.04944	1.9
147.04384	1.4
149.02396	0.9
149.05969	24.6
151.03899	100.0
152.04216	1.3
153.05476	8.8
159.04410	4.6
161.05957	1.8
163.03909	5.5
163.07527	0.8
164.04276	1.2
165.05487	12.0
167.07042	8.6
177.05472	46.4
178.05824	1.0
181.04904	0.9
187.07420	0.9
191.07089	1.4
191.87611	0.7
193.08498	1.0
195.06522	95.7
196.06828	1.9
205.08537	0.7
209.08087	9.9
213.07538	7.3
227.09119	2.6
251.09105	2.7
266.09329	0.9
295.08127	2.0
303.08487	1.0
321.09653	2.9
339.10684	8.9
357.11804	14.7
366.01239	0.8
489.13528	1.3
745.29456	1.4
745.41956	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	746.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.00611	0.6
55.01860	1.4
55.05512	1.5
57.03427	0.7
59.05009	2.9
61.46542	0.6
65.03950	0.9
65.12601	0.5
67.05515	3.3
69.03418	2.2
69.05779	0.5
69.07055	0.9
69.26298	1.3
69.26700	2.3
71.04986	1.9
72.10789	0.6
78.04676	0.6
79.05489	6.8
79.67865	0.6
81.03418	3.2
81.07057	4.0
83.04980	1.8
85.02902	3.9
91.05474	4.8
93.07030	3.7
95.04958	9.9
95.08610	3.8
97.02867	5.9
97.06520	0.9
99.04448	2.3
103.05486	2.9
105.04479	1.2
105.07032	3.2
107.04948	17.7
107.08582	1.5
109.02879	21.1
109.06520	3.3
111.04425	3.4
111.08070	9.7
118.06466	0.6
119.04897	0.9
121.06497	5.3
121.10122	1.1
123.04433	3.6
123.08073	2.2
125.02354	2.5
125.05963	1.1
127.03913	59.5
131.04922	3.3
133.02850	0.8
133.06511	3.2
135.04393	2.0
135.08078	0.6
137.06000	4.4
138.06267	0.8
139.03899	29.1
147.04346	1.7
149.05971	7.1
150.06285	0.7
151.03909	10.9
151.07507	5.4
151.11169	0.8
153.01791	0.8
153.05470	2.3
159.04372	3.0
159.11694	0.8
161.06001	1.4
163.03885	2.0
163.07523	1.2
165.05472	24.6
167.07047	6.5
168.07497	0.6
169.05087	0.8
169.08627	1.3
177.05470	17.4
178.05867	0.8
179.05557	1.0
179.07031	13.1
181.04982	1.2
191.07024	3.0
193.96846	0.6
195.06502	2.5
197.08086	100.0
198.08434	0.9
201.05548	0.7
209.06133	1.2
209.08078	20.3
268.97504	0.7
278.43066	0.6
297.10931	0.7
310.82718	0.6
321.09808	1.4
326.17645	0.6
339.10934	1.4
340.12805	0.6
359.13342	12.8
432.65350	0.6
491.15353	2.2
535.18030	3.2
566.20734	1.1
695.95068	0.7
746.27032	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
53.12675	0.3
53.16428	0.3
55.01868	1.6
55.05507	1.0
57.03436	0.7
57.07067	1.0
65.03941	2.2
66.04726	0.4
67.05497	4.1
69.03430	8.4
69.07059	1.8
70.52560	0.7
71.01356	0.8
71.04993	1.7
73.02921	0.9
77.03893	0.5
79.05490	10.5
81.03418	8.2
81.07053	100.0
82.07398	1.2
83.01345	0.6
83.04988	0.8
83.08588	0.4
85.02903	4.9
91.05464	3.8
93.03406	2.5
93.07048	4.3
95.04967	12.1
95.08604	13.9
97.02895	9.6
99.04456	4.4
103.05479	1.6
105.04507	0.6
105.07027	1.5
107.04951	7.1
107.08592	1.2
109.02875	18.5
109.06503	2.3
109.10117	0.9
111.04449	3.4
115.05430	3.1
117.07018	11.1
119.08562	0.7
119.28726	0.5
121.02861	15.5
121.06486	5.3
123.04414	5.9
123.08040	0.7
125.02340	3.9
127.03909	18.0
128.04333	0.4
128.06235	0.6
129.07034	1.1
131.04929	2.8
133.06494	1.0
135.04399	1.1
135.08047	4.3
137.13254	17.2
139.03894	13.1
145.05017	1.5
145.06480	18.2
147.04382	0.8
147.08057	1.0
149.02336	9.1
149.05962	4.6
151.03934	1.9
153.01865	0.6
153.05435	3.1
155.04921	0.7
155.06041	1.8
157.06430	0.4
158.54552	0.4
159.04422	4.8
161.06006	1.2
163.03906	0.6
163.07530	8.5
165.05502	1.5
167.03413	5.7
167.07091	0.8
173.05984	18.5
174.06282	0.5
175.03925	2.7
175.07603	1.9
177.05446	2.8
177.09145	0.6
181.04926	2.5
185.04478	3.0
185.05931	0.6
187.07642	0.8
189.05482	1.5
191.07025	16.7
199.05946	2.3
201.05423	3.6
205.08559	3.2
209.08083	1.5
219.06512	13.5
223.09723	1.1
233.08134	0.7
237.07555	17.7
251.09129	2.9
255.08614	3.6
259.06183	0.4
269.10193	5.3
275.05481	0.6
279.08530	0.5
281.08112	0.6
283.90729	0.4
293.06635	2.1
293.10059	0.9
299.09369	0.5
307.08130	1.2
311.07620	4.1
311.11362	1.0
325.09125	5.6
327.08551	1.7
343.10168	4.6
345.09705	5.0
359.11249	2.0
363.10718	10.3
377.12305	6.5
381.11777	15.0
382.12216	0.5
395.13318	10.0
413.14362	4.3
422.77167	0.4
445.60782	0.4
485.48529	0.5
506.36029	0.5
507.14810	0.7
525.16107	0.9
557.18640	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25927	0.2
56.07439	0.2
56.58591	0.2
57.61979	0.2
65.38384	0.2
67.05493	0.3
69.03428	0.4
71.01349	0.6
78.13716	0.2
79.05499	0.2
81.82146	0.2
83.04958	1.0
85.02904	5.0
86.03245	0.7
87.00950	0.2
93.03374	0.2
95.04935	0.3
97.02904	0.3
97.06558	0.4
111.04442	0.8
113.02351	0.2
117.01806	0.4
127.03915	0.8
141.01825	1.2
142.02153	0.3
145.05466	0.2
163.03963	0.3
171.06525	0.7
201.03917	0.8
202.04308	0.4
223.09364	0.5
261.06076	2.1
262.06476	1.0
277.13760	0.2
312.07745	0.2
385.14676	100.0
386.14999	3.6
395.88577	0.2
399.00195	0.2
458.93124	0.2
507.44540	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	747.429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.4
57.03437	2.2
61.02929	3.7
67.05518	3.1
67.71162	0.8
69.03443	2.8
69.07066	2.0
69.62653	1.5
69.63035	1.3
73.02929	3.0
79.05508	2.7
80.98892	0.8
81.03436	3.3
81.07058	4.1
85.02901	4.4
91.03959	2.6
91.05485	2.9
93.07068	2.9
95.08631	2.4
97.02921	3.3
101.02405	1.3
105.07047	1.8
107.08603	2.0
119.08607	1.5
120.70884	1.0
121.10133	1.5
127.03934	1.4
131.08617	0.8
133.10164	1.1
144.49463	0.7
157.10170	1.0
161.45937	0.8
184.07399	1.8
193.12312	1.5
243.08453	1.4
254.50885	0.7
453.87354	0.8
469.20526	8.4
519.29395	2.3
562.53522	0.8
623.77917	0.9
681.62854	0.9
747.42853	100.0
748.43268	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	747.429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.4
57.03437	2.2
61.02929	3.7
67.05518	3.1
67.71162	0.8
69.03443	2.8
69.07066	2.0
69.62653	1.5
69.63035	1.3
73.02929	3.0
79.05508	2.7
80.98892	0.8
81.03436	3.3
81.07058	4.1
85.02901	4.4
91.03959	2.6
91.05485	2.9
93.07068	2.9
95.08631	2.4
97.02921	3.3
101.02405	1.3
105.07047	1.8
107.08603	2.0
119.08607	1.5
120.70884	1.0
121.10133	1.5
127.03934	1.4
131.08617	0.8
133.10164	1.1
144.49463	0.7
157.10170	1.0
161.45937	0.8
184.07399	1.8
193.12312	1.5
243.08453	1.4
254.50885	0.7
453.87354	0.8
469.20526	8.4
519.29395	2.3
562.53522	0.8
623.77917	0.9
681.62854	0.9
747.42853	100.0
748.43268	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	747.429
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43224	0.9
73.61366	1.0
78.42957	0.9
79.05499	1.3
104.81234	0.9
107.08677	1.0
112.50111	1.0
249.71410	1.0
273.27957	1.0
276.38669	1.0
317.08356	1.0
326.26736	1.0
333.08115	3.0
335.09460	7.1
469.20468	14.7
747.42865	100.0
748.42896	6.7
779.24200	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00332	0.5
53.03927	0.8
55.01871	3.9
55.05509	4.0
57.03432	1.0
59.74628	0.6
67.05492	2.7
69.03427	6.2
71.01350	5.6
71.04998	1.1
77.03923	0.8
79.05493	7.8
81.03413	7.2
81.07055	36.5
83.04963	1.9
85.02914	5.7
89.03908	0.6
91.05473	3.6
93.07033	5.4
95.04957	2.3
95.08607	12.4
97.02897	6.8
98.23434	1.2
99.04458	2.2
103.05460	3.8
105.07027	34.0
106.07323	0.6
107.04938	2.0
107.08575	2.8
108.05743	0.6
109.02873	5.9
109.06515	77.4
110.06889	0.6
111.04439	0.7
115.03870	0.7
115.05460	5.0
117.07015	0.5
118.04175	0.9
119.04945	0.9
119.05988	0.6
121.06511	3.4
123.04448	0.7
123.08065	15.3
125.02450	0.5
125.05988	0.8
127.03891	6.2
131.04900	1.4
133.06490	43.8
135.04384	0.6
135.08034	2.9
137.05969	15.7
139.07590	0.9
140.04727	0.5
143.05008	0.7
143.05980	2.8
145.04939	1.9
147.04361	0.6
149.05952	3.9
151.07535	52.1
152.07887	1.3
153.09076	1.7
155.07059	0.9
159.04405	1.5
161.05972	68.4
162.06282	1.7
163.03951	2.9
165.05458	0.6
167.07074	4.1
177.05444	2.1
179.07025	87.1
180.07339	1.8
185.05962	1.0
193.08598	62.0
194.08914	1.9
195.06523	1.9
197.08081	100.0
198.08441	1.6
207.07970	1.3
215.05672	2.6
215.09128	11.2
225.09116	2.6
229.04897	0.6
235.07494	0.8
253.08614	2.8
267.96890	0.6
271.09634	0.7
281.08066	2.0
285.11246	1.7
299.08957	1.1
305.10159	1.0
313.10657	3.0
323.11206	9.4
327.08585	1.3
341.12311	31.3
342.12698	0.9
359.13376	25.0
392.29559	0.5
449.14053	0.7
467.15326	0.8
485.16403	1.4
501.14151	0.7
503.17407	2.9
569.46655	0.6
763.99408	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01883	0.5
55.05508	2.3
56.94318	0.3
57.03426	0.4
57.07092	0.4
59.04997	1.3
65.03937	0.7
66.04723	0.3
67.05499	1.4
69.03422	2.3
69.07066	1.7
71.04990	12.1
73.06541	3.5
79.05482	4.9
81.03417	2.7
81.07053	17.3
83.08630	0.5
85.02908	1.5
85.06548	0.5
86.04394	0.4
91.05478	3.6
93.03393	0.5
93.07044	11.9
94.04190	1.0
95.04967	8.6
95.08606	3.1
96.05308	0.7
97.02892	1.9
97.06548	1.7
99.04479	0.8
101.68328	0.3
103.05468	1.2
105.04536	0.7
105.07032	1.4
107.04946	4.5
107.08588	8.9
108.05270	0.6
109.02876	7.5
109.06506	1.0
109.10169	1.9
111.04443	0.7
111.08103	0.9
115.05444	0.5
117.07023	1.4
119.04965	0.9
119.08613	0.7
121.02872	4.1
121.06498	1.4
121.10086	0.4
122.03645	2.3
123.04437	2.6
123.08106	0.5
123.11708	0.4
125.02373	1.9
126.02604	0.3
127.03926	9.2
129.06993	1.3
131.04082	0.3
131.04904	1.7
131.08539	0.5
133.02847	1.1
133.06480	0.5
134.29988	0.3
135.04430	0.5
135.08124	0.7
135.11688	20.5
137.05974	70.5
138.06290	1.4
139.03885	1.2
141.27153	0.3
145.04987	1.8
145.06465	1.4
147.04465	0.7
147.08110	0.7
149.02357	1.3
149.05986	2.0
149.09673	0.6
149.55348	0.4
151.03905	6.7
151.07568	1.3
152.04230	0.6
153.01762	0.4
153.05458	1.3
153.12738	100.0
154.13037	1.6
157.06551	0.4
159.04539	0.4
159.08026	0.4
161.05986	0.7
163.03896	2.9
163.07538	2.5
165.05521	0.8
165.09105	0.6
167.03369	1.8
167.07048	3.0
173.05962	2.2
175.03957	0.8
175.07550	2.7
177.05482	1.6
178.05733	0.4
181.04993	2.1
181.08591	4.6
184.07312	1.0
185.04472	1.3
187.07524	1.2
189.05507	0.5
189.09038	0.5
190.06226	0.5
191.07039	2.3
193.04900	0.4
193.08630	0.9
195.06543	1.0
196.06902	0.6
201.05348	0.4
205.08586	0.7
209.08109	0.5
213.07719	0.4
217.08543	0.7
219.06531	1.0
219.10194	0.4
235.09615	0.5
237.07408	0.9
249.11154	0.4
255.08640	2.5
265.08392	0.5
277.08694	0.5
293.06683	0.8
298.11548	0.5
304.74481	0.3
309.11160	0.4
311.07587	1.2
322.75882	0.4
353.13602	0.5
355.15317	0.5
363.10715	5.6
371.14786	1.0
381.11758	10.8
399.12750	1.5
525.16168	2.3
543.17102	2.8
561.17596	1.1
587.12048	0.4
710.44275	0.4
748.27942	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
60.14099	0.5
71.56108	0.5
72.23931	0.5
76.08955	0.5
81.03469	0.6
81.07055	1.8
87.68756	0.5
95.04993	0.8
95.08601	0.9
121.02694	0.8
121.34519	0.6
138.02895	2.3
138.69447	0.6
140.14027	0.5
144.01854	1.6
145.02594	2.8
152.04457	0.7
153.01837	1.3
161.34904	0.6
163.03738	3.8
169.04794	0.5
171.00601	2.3
183.02675	1.5
185.04256	2.5
201.03754	1.3
203.05330	0.8
207.08279	0.5
227.05222	0.7
242.03955	0.7
255.04823	2.3
255.08429	0.9
257.06271	1.3
290.06265	0.6
323.07462	0.7
349.05240	2.0
350.06223	1.8
351.06857	3.1
352.07727	2.3
353.08444	1.1
355.15503	1.0
365.08575	0.7
381.07898	39.4
382.08380	2.6
383.09457	28.2
384.09937	2.5
419.09445	4.0
421.10745	2.7
435.12909	0.7
451.12122	5.9
453.13547	3.5
492.11194	0.6
512.06976	0.6
519.22089	9.9
589.25696	2.6
613.17371	52.2
614.17804	1.3
615.18872	11.7
616.18567	0.7
649.63202	0.6
751.31366	100.0
752.32007	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	752.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00323	0.4
53.03949	0.9
55.01878	1.5
55.05518	2.0
57.03454	0.9
65.03947	0.6
67.05511	1.4
69.03426	5.6
70.68633	0.7
71.01354	3.8
71.05004	0.5
72.74055	0.5
79.05480	3.9
81.03418	6.8
81.07056	28.9
83.04989	1.8
85.02900	5.0
87.84197	0.5
91.05478	7.5
93.07040	3.9
94.04182	1.2
95.04962	2.3
95.08598	7.8
97.02879	5.6
97.03384	0.5
99.04460	1.5
103.05455	1.1
105.07028	13.0
107.04954	2.0
107.08609	2.2
108.05752	0.4
109.02881	4.6
109.06512	57.6
110.06850	0.8
111.04428	0.5
115.05459	1.1
117.07024	0.9
117.85066	0.4
119.04930	11.6
121.06506	2.0
122.03646	1.4
123.04384	0.4
123.08062	10.8
125.05994	0.6
127.03898	4.5
127.55267	0.4
129.05087	0.4
131.04913	1.3
133.06487	17.2
133.07518	0.9
135.04398	0.6
135.08038	2.3
137.05968	52.3
138.06279	0.5
145.04962	1.6
147.04402	24.6
149.05954	2.5
151.07536	38.7
152.07912	0.7
153.09085	1.0
155.07120	0.6
159.04430	1.7
161.05962	12.3
167.07018	3.4
169.08653	0.7
175.07484	0.6
177.05446	2.7
179.07024	100.0
180.07373	1.8
191.07034	1.4
195.06526	1.7
197.08080	90.9
198.08401	1.5
215.05493	2.8
215.07304	0.4
215.09100	9.6
215.11075	0.9
221.09895	0.6
287.09000	0.8
305.10089	2.0
323.11240	11.2
341.12289	29.6
342.12582	0.8
345.13120	1.4
357.13123	1.1
359.13333	32.8
375.14359	13.5
467.15521	0.7
485.16406	1.1
503.17386	2.4
537.19482	1.2
722.25250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
55.01863	1.5
55.05524	1.0
57.03445	1.8
64.38421	0.9
65.03938	1.0
66.04730	1.1
67.05503	2.6
69.03424	4.8
69.07057	3.3
69.31075	3.5
70.06572	1.3
71.04988	1.3
79.05482	5.3
81.03416	1.8
81.07060	3.3
83.04977	2.4
85.02910	4.3
85.06544	1.4
87.04447	1.3
91.05483	13.1
93.07041	4.6
94.04189	3.4
95.04985	4.9
95.08588	4.9
97.02905	3.2
97.06551	1.6
98.22689	1.7
103.05463	4.1
105.04475	1.1
105.07019	7.5
107.04939	7.5
107.08585	5.1
109.02867	1.5
109.06530	4.5
109.10170	2.4
115.03983	1.3
115.05450	3.9
117.07024	1.8
119.04941	7.1
119.08568	3.1
121.02940	0.9
121.06498	3.9
121.10143	4.2
122.03639	7.4
123.04435	1.7
123.08057	1.7
123.11736	3.0
123.69344	1.0
127.03924	3.1
127.44218	0.9
128.06184	1.7
129.07025	5.5
131.04924	9.4
131.08565	6.3
133.02859	2.7
133.05028	1.5
133.06487	2.2
133.10146	4.2
135.04411	1.8
135.08066	3.6
135.11710	3.3
137.05975	100.0
137.13287	0.9
138.06325	3.2
139.03899	1.8
141.07019	1.3
143.04912	1.2
143.08508	1.1
144.05643	1.8
145.06493	3.8
145.10150	1.6
146.03618	1.6
147.04424	4.8
147.08075	2.1
147.11671	1.9
148.05159	1.3
149.05986	8.4
149.09625	1.2
149.13292	1.4
151.03912	8.3
151.07549	17.0
153.05595	1.1
153.06898	1.0
155.08534	1.9
157.06519	4.5
159.07980	5.0
160.05231	1.8
161.05975	31.2
161.09593	6.3
162.06622	2.5
163.03929	7.2
163.07513	10.2
165.05479	3.0
165.06976	2.8
165.09146	3.4
167.07005	3.0
167.08507	1.5
169.06487	2.2
170.07430	1.2
171.08008	1.1
173.05992	2.2
173.13268	2.8
174.06723	5.5
175.07544	17.5
177.05447	3.0
177.09169	1.3
178.07729	1.9
179.07031	4.6
179.08513	2.2
181.06454	3.3
182.07277	1.6
183.08090	1.7
184.08568	1.1
185.06062	1.6
186.06784	1.3
187.07579	5.8
187.14798	2.2
189.09082	17.6
191.07007	2.9
191.08537	2.5
193.06442	2.5
193.08527	1.1
194.07240	2.5
195.08080	5.1
195.10176	2.9
197.09718	1.5
198.06798	1.2
199.07559	2.4
201.09155	4.8
203.07033	1.3
203.17947	2.5
205.06609	1.5
205.08580	1.3
206.07176	1.2
207.08260	1.6
207.10144	12.8
208.08888	1.2
209.06078	1.3
209.07924	2.2
209.09711	1.5
210.06778	2.5
211.07539	3.4
212.08311	2.1
213.09085	8.0
215.10548	1.4
217.08466	1.2
217.10335	1.4
219.08057	4.5
219.10188	15.1
219.49086	1.1
221.05916	3.6
221.09697	2.5
222.06804	1.8
223.07542	2.9
223.11304	1.3
224.08224	1.5
225.05640	1.4
225.09050	7.5
227.07091	1.3
227.08926	1.7
227.10857	2.2
231.08002	1.9
234.06793	2.9
235.07573	4.5
236.08122	1.9
237.05460	1.2
237.09119	4.5
238.06396	1.3
238.10123	1.3
239.06879	2.1
240.07794	1.9
241.08716	1.2
243.08076	1.9
243.10210	7.4
243.21127	3.6
245.06082	1.2
245.09569	1.8
246.10468	1.2
247.07524	2.9
248.08150	1.6
249.09106	3.9
250.09837	1.2
251.07034	3.9
251.10738	2.0
252.07857	1.4
253.08598	8.8
254.09349	1.7
255.06511	1.2
255.10086	2.8
257.09769	1.3
259.09674	2.9
261.09045	2.0
261.22150	6.6
263.07037	1.5
263.10562	2.0
264.07785	1.7
265.08609	9.1
266.09528	1.7
267.10114	4.6
268.07504	1.4
269.08176	2.2
270.08817	1.3
273.08810	1.6
273.11331	8.5
275.10742	2.1
276.08173	1.3
277.08646	5.7
277.12000	1.3
278.09387	1.9
279.10159	4.5
280.10745	1.5
281.08380	2.0
281.11697	3.0
282.08835	1.2
283.09586	5.1
285.11359	11.6
286.09845	1.6
289.08554	2.4
289.12134	1.5
291.10178	4.8
293.08273	2.4
293.11844	2.7
295.09692	4.1
296.10339	2.3
297.11255	14.1
299.12811	1.8
301.08759	2.3
302.09344	1.3
303.10080	3.7
305.11652	3.3
307.09613	5.0
308.10196	1.5
309.11307	7.8
310.11923	2.8
311.12799	4.6
313.14398	2.3
315.12302	4.3
317.11667	3.3
319.09625	2.5
321.11160	4.6
322.11963	2.3
323.12698	3.0
327.12329	9.3
329.13934	13.6
331.15265	5.6
333.11206	2.1
334.11835	1.2
335.12811	5.5
337.14355	4.9
339.12274	2.1
340.12866	2.5
341.13879	1.7
343.15543	1.4
347.12634	1.8
349.14438	4.7
351.12244	1.3
353.13754	2.3
354.14420	2.1
355.15393	19.0
365.13843	2.6
367.15405	25.9
379.15445	5.2
381.11423	1.3
385.16373	4.1
397.16458	63.8
398.16846	2.5
415.17651	9.1
423.27655	1.1
427.15085	1.2
431.14676	2.2
433.16684	1.3
439.15231	1.2
445.16550	4.0
457.16379	2.2
459.17902	4.1
463.17816	1.7
471.17957	1.7
475.17633	3.1
477.18927	5.9
489.19055	3.8
501.18924	2.2
503.20554	2.9
507.19794	2.4
515.20398	1.3
519.20215	2.1
527.20374	1.6
533.21661	1.1
609.24927	2.7
627.25568	6.3
639.25665	5.8
651.25787	2.6
657.27002	6.3
669.26422	3.2
752.36157	3.4
753.34338	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12765	0.3
55.01859	0.4
55.05492	0.5
59.05003	0.3
65.03931	1.5
66.04720	0.7
67.05485	0.6
69.03412	0.3
69.32634	1.0
69.33044	0.5
70.06565	0.3
78.59966	0.3
79.05495	2.1
81.03418	0.8
81.07046	1.0
83.04957	0.5
85.02903	0.3
89.03938	0.3
91.05472	6.0
93.03396	0.5
93.07013	1.0
94.04172	3.3
95.04970	2.0
95.08597	0.8
96.08935	0.2
97.02842	0.3
98.22708	0.5
103.05450	3.3
105.03390	0.3
105.04500	0.4
105.07013	2.1
107.04948	2.7
108.05754	0.4
109.06514	1.0
110.03680	0.7
111.04448	1.5
115.05450	0.7
117.03369	0.3
117.07012	1.2
118.04165	0.3
119.04926	4.4
121.06483	2.0
121.10129	0.5
122.03650	6.7
123.04455	0.7
123.08042	0.6
125.05986	1.1
128.06209	0.9
129.06996	1.4
131.04909	6.5
131.08557	0.8
133.02855	1.6
133.06502	1.8
133.10083	0.5
135.04401	3.9
135.08043	1.1
136.05171	1.0
137.05968	100.0
138.06300	1.4
141.07031	0.6
143.04935	0.4
143.08566	0.8
144.05670	0.5
145.06520	1.5
146.03632	0.8
147.04408	2.8
147.08043	1.6
149.05957	3.7
149.09555	0.4
151.03931	1.5
151.07532	17.6
151.87631	0.3
153.05464	4.4
153.06880	0.7
155.08536	0.3
157.06493	0.7
158.07204	0.5
159.04362	0.4
159.08067	1.1
160.05183	0.5
161.05971	5.2
162.06683	0.5
163.03871	1.1
163.07527	12.0
165.05588	0.6
165.06996	2.2
165.09131	2.1
166.07709	0.6
167.07036	2.9
167.08542	1.0
168.05685	0.4
169.06462	0.4
170.07230	0.4
171.08098	1.3
173.06004	0.3
173.09610	0.5
174.06789	1.0
175.07529	5.4
177.05469	1.3
177.06856	0.4
177.09103	3.3
178.07768	0.5
179.07076	0.5
179.08557	0.9
181.06464	1.2
182.07254	0.9
183.08008	0.4
185.09612	0.4
185.11682	0.3
187.07545	2.1
188.08279	0.6
189.05502	0.4
189.07332	0.5
189.09085	2.8
191.06979	0.4
191.08536	0.3
193.06493	1.9
193.08321	0.5
194.07227	1.7
195.07986	2.0
196.08827	0.8
197.05917	0.4
197.09596	0.8
198.06705	0.5
199.05849	0.3
199.07533	1.1
200.08391	0.4
201.09055	1.6
203.08698	0.6
203.10663	2.7
205.06529	1.2
205.08429	0.4
206.07254	0.3
207.08067	0.8
207.10181	0.3
209.06030	0.7
209.09683	0.5
210.06761	1.2
211.07518	1.1
212.08318	0.5
213.09079	2.1
215.10649	0.4
218.07251	0.3
219.08034	0.9
219.10190	1.5
221.06056	2.6
221.07980	0.4
221.11713	0.6
222.06758	1.5
223.07555	0.8
224.08313	1.1
225.09085	3.1
226.06314	0.6
227.07115	0.6
227.10635	1.6
231.07990	0.5
233.05957	0.4
233.09573	0.4
234.06795	0.8
235.07594	0.8
236.08379	0.8
237.05400	0.4
237.09073	2.5
238.06172	0.9
239.07019	0.9
239.10680	1.0
240.07756	1.1
241.08575	0.9
243.10184	0.4
244.27927	0.3
247.07539	0.6
248.08279	0.9
249.09175	1.8
250.06244	0.6
250.09840	0.4
251.06987	1.0
251.10619	1.0
252.07756	0.9
253.08603	3.4
254.09297	0.6
255.06572	0.7
255.10133	1.2
256.07346	0.5
257.11765	0.4
259.09613	0.7
261.09076	0.6
262.06372	0.5
262.09836	0.3
263.07071	0.5
263.10623	0.9
264.07584	0.5
265.08582	4.8
266.09247	1.0
267.10159	2.2
268.07202	2.3
269.07986	0.9
269.11511	0.5
270.08807	0.5
271.09622	1.1
273.11346	0.8
275.10718	0.6
277.08530	2.6
277.11621	0.4
278.09247	0.3
279.06760	0.4
279.10129	1.6
281.08023	0.4
281.11694	0.6
282.08868	1.0
283.09625	5.1
283.12878	0.5
284.10129	0.6
285.08319	0.4
285.11258	6.3
287.12784	3.5
289.12186	0.3
291.10242	2.0
291.13068	0.3
292.10938	0.3
293.08243	0.4
293.11581	0.7
293.24881	0.3
294.08813	0.6
295.09586	1.5
295.12964	0.4
296.10471	0.4
297.11218	8.5
298.11551	0.6
299.09174	2.5
299.12784	2.9
301.14273	0.5
303.10336	0.6
305.11786	0.8
307.09720	0.9
307.13354	0.9
308.10287	0.8
309.11258	4.2
311.12738	3.6
313.10974	0.6
313.14325	0.7
315.12274	1.7
321.11194	1.8
321.14600	0.4
322.11823	0.6
323.12726	2.4
325.14417	1.0
327.12311	0.8
331.11716	2.7
333.11105	0.4
335.12692	0.9
337.14380	0.7
339.15967	1.0
341.13794	0.8
343.11642	0.3
347.12744	0.4
349.14307	1.2
351.16031	1.7
353.13760	0.5
355.15359	0.4
357.16949	0.4
361.14203	0.5
363.15924	0.5
367.15372	1.0
369.16937	1.8
373.14102	0.3
379.15485	0.8
381.17020	0.5
413.13800	0.3
433.16318	0.6
443.18417	0.4
445.16425	0.7
447.18158	1.4
459.17889	0.7
460.32446	0.4
467.18561	0.6
471.17969	0.7
473.19409	1.2
475.21188	0.9
477.19202	0.6
479.20181	0.6
485.19379	1.1
487.21039	0.6
489.19055	0.4
491.20630	2.0
492.20764	0.4
493.22217	2.2
497.20871	0.8
499.21118	1.7
503.20477	1.3
505.22006	0.8
511.20959	1.2
517.22284	3.1
521.21625	2.1
529.22314	1.8
547.22809	0.4
623.26306	2.1
635.26123	0.9
641.27094	2.3
642.26294	0.4
653.27417	2.8
659.27917	0.9
671.28094	1.5
689.29327	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.6
55.01852	7.4
55.05511	19.6
57.03436	13.6
57.07066	6.2
61.06048	4.5
63.22346	4.0
66.76862	4.4
67.05502	70.3
69.07067	21.6
71.05006	6.4
79.05040	7.5
79.05492	100.0
81.03377	10.5
81.07062	65.9
83.04986	10.0
83.08619	15.8
91.05481	99.0
93.07046	91.6
95.04978	30.1
95.08595	48.8
97.06505	8.3
105.07033	80.9
107.04980	5.7
107.08592	36.2
109.06497	9.6
109.10164	8.6
117.07001	22.1
118.01988	4.3
119.08578	68.5
121.10130	20.8
123.08082	8.5
129.06956	22.0
131.08600	23.9
133.10124	46.8
135.11707	16.0
141.40503	5.3
143.08540	12.3
145.10069	27.2
147.11678	67.8
149.13307	10.0
157.10124	11.3
159.11668	14.3
161.13275	35.3
171.11674	41.4
173.13275	12.9
175.14839	14.1
185.13229	7.5
189.12755	5.6
199.14775	10.2
207.13817	14.6
228.20297	4.8
241.19386	28.2
259.20587	59.2
279.15900	19.7
281.17490	70.6
286.61725	4.9
289.44571	4.5
307.34763	5.0
315.23093	5.3
333.24304	42.6
365.13754	4.4
465.32837	6.4
483.34283	5.3
539.37305	80.2
557.38348	24.4
660.88110	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	756.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.3
55.01871	8.5
55.05503	1.4
57.03438	3.7
61.02927	2.3
63.02384	0.7
65.03938	14.6
67.01876	0.6
67.05513	2.9
68.99794	0.9
69.03429	37.4
71.01353	2.4
71.04992	7.9
73.02922	4.4
77.03904	3.8
79.01875	0.8
79.05486	10.1
81.03416	48.3
81.07053	3.0
82.03716	0.6
83.01343	2.0
83.04977	4.0
85.02908	21.0
87.04468	2.1
91.05473	21.3
93.03403	13.3
93.07044	16.5
94.04180	3.2
95.01349	0.7
95.04966	71.0
95.08607	1.4
96.05309	0.7
97.02892	49.0
97.06515	0.9
98.22607	1.2
99.00813	0.6
99.04453	18.5
101.02393	1.1
103.03925	1.0
103.05462	10.3
105.03387	2.1
105.04506	3.0
105.07027	10.5
107.04953	43.2
107.08590	5.2
108.04550	0.9
108.05254	0.7
109.02875	92.0
109.06508	13.6
109.07207	0.9
111.00753	0.5
111.04444	15.3
115.03905	1.4
115.05452	17.8
116.06246	1.1
117.07015	63.2
118.07359	0.9
119.04951	3.8
119.06065	1.1
119.08582	4.2
121.02864	100.0
121.06501	29.1
121.07421	0.8
122.03191	0.9
123.04430	31.1
123.08041	2.8
125.02345	20.4
125.05965	1.5
127.03911	61.9
127.05457	2.2
128.06210	3.2
129.06989	8.2
130.14886	0.5
131.03436	0.8
131.04926	20.7
131.08559	0.6
133.02832	2.2
133.06488	7.1
135.04404	6.0
135.08052	17.9
136.08331	0.5
137.05968	2.0
139.03894	69.3
140.04269	0.5
140.93297	0.6
141.05493	1.8
141.07028	0.9
143.03435	0.6
143.04912	1.2
143.08537	0.8
144.05682	1.0
145.05009	7.4
145.06477	85.3
146.06877	1.6
147.04390	6.7
147.08049	5.5
148.05243	0.7
149.02333	41.3
149.05972	25.6
150.02667	0.6
150.06326	0.6
151.03896	12.8
151.07619	0.7
153.05467	20.0
155.04889	3.7
155.06035	11.8
155.07224	0.8
155.08609	0.6
157.06491	4.2
159.04405	28.9
159.08043	0.9
160.04782	0.7
161.02267	0.5
161.05954	6.7
162.06685	0.5
163.03902	2.5
163.07539	43.2
164.07980	0.8
165.05478	8.9
165.06871	0.9
167.03395	29.4
167.07072	4.5
169.06444	0.9
171.04430	1.7
171.08133	0.9
172.05182	1.0
172.69969	0.5
173.05978	91.6
174.06311	2.2
175.03905	12.7
175.07512	7.7
176.04665	0.9
177.05470	14.2
177.09094	1.7
179.03439	1.2
179.07065	1.7
181.04962	17.0
181.08548	0.7
183.08049	1.4
185.04465	11.2
185.05997	1.3
187.06015	0.7
187.07500	2.5
189.05478	7.1
189.09111	0.7
190.06154	0.6
191.07022	79.0
192.07372	1.8
193.04921	1.8
195.08104	0.6
197.04390	0.6
197.05989	0.8
199.04141	1.0
199.05995	11.8
199.07623	0.7
201.03595	1.1
201.05458	18.3
203.07016	1.9
205.04869	1.0
205.06680	0.9
205.08580	14.2
207.06497	1.2
209.04448	1.8
209.08058	6.2
211.07587	1.3
213.09077	0.5
215.07066	1.3
217.04858	2.9
219.06509	64.0
220.06834	1.5
221.04381	1.2
223.09599	11.0
225.09239	1.0
227.07224	0.7
229.05000	1.1
229.08430	0.9
231.06538	1.4
233.08078	5.1
235.06015	1.5
237.07556	74.3
238.07932	1.8
239.07205	0.8
241.06952	0.9
247.05920	1.1
249.07535	1.0
251.05270	0.8
251.06787	0.8
251.09164	11.7
253.06953	1.7
253.08948	1.1
255.06076	1.1
255.08583	13.1
257.08218	0.7
259.06049	0.7
261.07672	1.0
269.07501	0.6
269.10208	13.5
271.08203	2.2
273.07681	0.8
273.11285	0.9
275.05481	3.1
275.09064	1.3
277.07077	1.0
279.08725	3.3
281.08057	3.1
285.07794	0.5
289.07169	0.5
291.08716	3.3
293.06503	10.2
293.10114	3.2
297.09689	0.9
299.09161	3.2
307.08124	6.7
309.07043	1.1
309.09927	1.5
311.07690	16.7
311.11197	3.2
315.08691	0.7
317.10098	2.5
321.09695	1.2
325.05344	0.9
325.09174	16.3
326.39590	0.5
327.08658	8.6
329.08496	1.3
335.11203	1.4
341.09958	0.7
343.06302	0.9
343.10223	15.3
344.10541	0.5
345.09680	25.9
346.09866	0.6
346.87854	0.5
359.11240	7.4
363.10712	40.8
364.10898	1.7
377.12299	21.1
378.12677	0.8
381.11777	52.4
382.12042	1.6
395.13358	19.2
396.13672	1.0
413.14264	4.3
451.11859	0.8
455.11734	0.8
462.82690	0.6
473.12714	0.9
487.14175	1.1
489.14209	2.4
507.15002	3.0
525.15881	3.4
543.16736	2.1
642.21381	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01863	2.5
55.05506	3.0
62.22683	1.3
65.03917	2.7
65.34022	1.3
67.05501	22.5
69.03422	5.9
69.07064	1.3
69.70368	2.3
69.70751	2.6
71.04980	1.7
71.12447	1.2
79.05488	7.2
81.03412	21.5
81.07037	12.6
83.04977	2.0
85.02898	3.8
85.06518	1.8
89.99791	1.4
91.05463	7.7
93.07034	6.6
95.04961	10.6
95.08601	9.3
97.02903	6.9
97.06506	1.9
99.04458	2.9
99.08095	1.3
103.05458	4.9
105.07025	4.6
106.06532	2.4
107.04953	4.8
107.08598	3.1
109.02860	11.3
109.06535	4.1
109.10148	43.5
117.07038	1.8
118.06571	4.3
119.04926	2.9
119.08585	6.5
121.02879	2.3
121.06504	2.5
121.10142	2.7
125.05991	1.7
127.03918	5.7
129.07021	2.3
130.06512	25.5
130.07449	2.6
131.04948	4.1
132.08083	3.8
133.02881	2.1
135.04396	2.7
137.06000	7.1
137.09604	100.0
139.03909	6.3
143.07294	2.8
144.08075	37.5
144.09158	2.7
146.05997	24.8
146.07126	1.5
147.04443	1.6
149.06049	1.4
151.03903	2.6
151.07532	1.7
153.01819	2.1
153.05478	2.1
154.06522	6.1
155.07237	2.4
155.10670	4.4
156.08054	9.6
158.09663	9.7
159.04463	3.8
160.07555	1.7
161.05919	2.1
163.03926	6.0
165.05461	25.7
165.06799	2.0
165.09106	46.0
167.07213	12.8
167.08543	2.0
168.08070	30.4
169.07559	15.6
170.06024	4.9
170.09717	2.0
175.03731	1.6
177.05498	1.8
179.07077	1.6
180.08058	10.5
181.08850	1.8
182.09610	12.4
183.10175	2.4
188.07043	45.4
191.07146	5.1
192.08142	6.0
193.08916	4.3
194.09747	4.7
196.07530	2.6
200.07001	8.9
201.11313	2.3
204.08145	4.3
205.08772	4.1
206.09604	2.3
207.06650	1.6
208.07571	6.4
209.08240	3.1
210.09174	9.0
213.07973	1.8
214.08620	5.8
215.08096	6.4
217.09668	1.9
217.12271	1.8
218.09604	3.2
220.07578	10.1
220.11241	5.2
221.08429	2.2
222.09174	1.9
224.07117	3.9
226.08710	1.5
230.09711	4.8
231.11305	6.6
232.11337	3.4
234.09334	1.9
234.12920	2.1
236.07127	2.5
238.08626	20.0
239.08946	1.9
244.11244	4.9
248.06987	10.7
249.07747	2.2
250.08670	5.7
252.10190	2.5
253.10973	1.9
254.09869	1.9
256.11151	1.6
257.08459	1.9
262.12430	2.9
265.09576	8.8
266.08173	4.1
270.11395	3.4
271.05981	10.5
271.09888	1.3
272.10620	6.7
276.10297	1.4
282.09067	2.4
286.08478	2.1
287.05627	5.4
290.11771	5.9
293.09460	1.6
293.12872	5.5
294.07874	2.6
295.08401	2.9
300.10132	7.3
306.11557	1.9
308.12955	3.9
309.13336	3.1
311.10257	12.0
311.13577	1.9
317.12979	2.3
318.11362	5.6
322.14493	6.4
325.11920	5.3
326.10263	2.7
327.10690	1.8
327.14322	5.3
335.14032	7.9
338.13889	4.3
340.15411	13.8
343.12866	23.3
343.16913	2.1
346.10776	4.1
363.13647	6.4
364.11630	2.9
378.13376	8.5
381.14453	15.5
395.16019	36.0
396.14362	18.6
413.17029	60.6
414.17233	3.9
455.18109	2.2
491.49493	1.6
521.20325	1.5
740.28967	26.6
757.31177	80.3
758.31830	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	759.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01870	1.6
55.05509	1.0
57.03424	0.6
59.01381	0.5
59.05000	9.6
61.02930	0.8
65.03935	0.8
65.59676	0.5
66.04708	0.6
67.05502	5.1
68.02654	0.9
69.03432	4.6
69.07089	0.4
69.13316	1.3
69.13717	1.0
71.01350	4.1
71.05000	1.9
77.03898	2.4
79.01838	1.1
79.05489	20.2
80.02612	0.4
81.03415	9.3
81.07054	2.7
83.01306	0.8
83.04975	3.6
85.02897	4.8
85.06567	0.4
87.04460	0.5
91.05469	7.1
93.07039	9.4
94.04175	0.5
95.01339	0.9
95.04965	24.6
95.08599	1.6
97.02888	4.7
97.05420	0.4
97.06525	0.8
99.04453	1.3
103.03945	1.6
103.05461	10.3
105.03381	1.5
105.04505	3.5
105.07040	1.6
107.04951	100.0
108.05278	1.1
109.02873	88.8
109.06516	7.6
110.03202	0.9
111.04433	4.3
111.08091	0.8
115.68922	0.4
119.04930	1.0
119.08593	0.4
121.06504	19.2
122.03593	0.5
123.04418	8.3
125.02358	7.9
125.05967	1.2
127.03925	4.4
131.04939	7.0
131.05899	0.5
133.02831	2.9
133.06496	0.7
135.04411	6.6
135.05405	0.4
137.05980	3.6
139.03893	50.0
139.07509	2.1
140.04237	1.1
141.05415	1.3
145.04968	1.2
147.04378	1.4
147.07997	0.4
149.05971	31.6
151.03899	24.5
152.04283	0.4
153.05496	3.4
155.03383	0.5
159.04416	6.2
161.05959	0.7
163.03880	1.2
163.07597	0.5
165.05470	99.3
166.05797	2.3
167.03389	0.6
167.07031	25.0
169.04890	0.5
173.04443	0.4
173.05949	0.5
175.03915	0.9
177.05461	81.8
178.05826	1.3
179.06960	0.5
181.08624	1.9
183.06502	1.1
191.07024	4.2
193.04938	0.5
195.06526	17.0
195.08310	0.9
209.08078	88.0
210.08372	1.8
227.09126	15.3
251.05560	0.5
269.06732	0.4
269.10184	1.0
271.05991	1.1
287.05457	1.0
295.08127	0.9
299.51126	0.4
301.09161	0.8
303.08502	0.5
321.09634	1.9
339.10733	6.2
353.12393	0.6
357.11749	0.5
371.13272	1.2
373.16260	0.4
457.25928	0.4
521.16144	0.5
547.17310	0.5
565.19055	0.7
579.19464	0.4
610.96185	0.4
699.09540	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.05511	1.5
57.03441	1.8
60.33914	0.4
61.02922	3.0
61.66392	0.5
64.74892	0.4
67.05499	3.6
69.03429	1.9
69.07078	0.7
71.04986	0.7
71.11238	0.8
73.02917	2.4
79.05492	4.1
80.70480	0.4
81.03426	1.4
81.07059	3.0
83.08639	0.7
85.02903	3.2
91.03968	1.8
91.05470	3.8
93.07050	5.6
95.04980	1.1
95.08614	2.4
97.02892	2.6
99.04448	0.6
101.02401	1.1
105.07038	2.7
107.08616	1.4
109.02941	0.6
109.10140	0.5
117.07029	0.6
119.08576	2.1
121.10165	1.1
127.03941	0.9
127.51488	0.4
129.05513	0.5
129.06996	0.9
131.08563	0.6
133.10159	1.4
135.11697	0.9
137.05942	0.5
145.10153	0.9
147.11732	1.9
161.13278	0.5
171.11671	0.8
184.07393	1.7
185.04233	0.9
220.55820	0.4
226.20824	0.5
243.08398	3.0
247.13092	1.5
301.09103	0.6
317.21060	0.5
326.04938	0.6
465.21005	7.6
535.28693	4.4
537.23749	0.9
542.06097	0.5
574.89502	0.5
621.33215	0.7
641.88849	0.5
682.77863	0.5
759.42804	100.0
760.43311	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	760.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
61.02913	0.9
67.87375	0.7
69.03429	1.9
69.21088	2.9
69.21493	1.2
79.05484	2.2
80.66151	0.7
81.03426	8.1
85.02908	7.5
91.05470	1.5
95.04964	1.5
97.02879	2.2
103.05453	0.9
105.07058	1.3
107.04958	9.4
115.05455	5.1
117.07018	12.7
118.07344	0.6
123.04400	1.8
124.05231	1.5
126.14815	0.6
127.03942	2.1
128.06195	0.8
129.06967	2.2
131.04964	0.6
131.08559	1.9
132.05743	0.9
133.06566	1.1
137.05972	1.0
141.06892	0.8
144.05708	2.0
145.04875	1.3
145.06493	29.6
147.08035	1.2
155.06044	5.8
156.05698	5.8
157.06479	1.8
159.08060	4.8
161.06007	2.6
162.07587	1.3
163.03955	1.5
167.07040	38.9
168.07332	0.6
173.05986	63.6
174.06404	1.1
175.03934	0.7
175.07582	1.9
180.08722	3.2
184.05199	1.8
187.07539	5.0
190.06252	34.9
191.07007	2.1
193.08543	1.2
200.70895	0.8
202.06212	4.3
203.07050	6.1
205.08604	100.0
206.08904	1.7
207.06645	1.5
215.07022	1.2
217.08603	41.0
219.08192	1.2
219.10188	2.8
221.57762	0.8
223.09624	2.1
231.08058	1.5
233.09595	0.8
235.09645	31.9
236.09966	0.8
242.48796	0.8
247.07503	1.0
247.09650	6.0
248.08296	0.9
263.10693	1.2
264.07724	1.0
265.10712	64.2
266.11212	1.4
269.08069	1.2
271.09641	1.8
277.08740	1.2
279.10187	1.4
282.08792	0.8
291.10144	1.9
293.08112	0.9
295.25098	0.7
301.40308	0.7
304.07336	0.9
307.09631	2.0
315.08603	3.8
323.12787	2.2
330.10980	7.7
331.11810	3.4
337.10809	0.8
339.12448	1.4
343.11624	1.1
351.12314	3.6
368.12500	1.4
369.13232	1.4
371.14941	3.6
383.14932	11.3
394.76147	0.6
401.10754	1.4
401.15958	21.8
402.16202	1.0
550.30164	0.8
649.87518	0.7
781.36218	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02022	0.1
59.54578	0.2
69.58348	0.7
79.38539	0.2
81.24160	0.2
83.01036	0.4
98.22750	0.3
107.04879	0.3
109.02784	0.3
120.01785	0.3
121.02535	0.7
137.05853	0.3
138.02876	1.7
139.03699	0.2
144.01770	0.4
145.02647	0.9
146.03290	0.2
147.04150	0.3
151.03743	0.2
152.04431	0.5
163.03712	0.3
165.05330	0.3
167.03142	1.9
169.04623	0.8
171.00508	2.5
175.03668	0.2
176.04370	0.6
185.04073	0.4
185.05618	0.5
186.05000	0.2
186.06514	3.5
187.07210	0.4
191.03085	0.8
209.08023	0.3
215.06693	0.9
221.04219	2.9
223.05733	0.2
259.05737	0.4
263.05322	1.4
277.06744	0.3
291.08252	1.0
307.07874	0.3
309.96686	0.2
317.09811	0.2
318.46478	0.2
323.07413	0.3
331.11554	3.7
333.05670	0.6
334.06650	0.2
335.07526	0.2
347.07446	0.2
349.08878	0.4
349.12589	5.0
361.12576	0.3
365.08414	5.4
366.09067	0.2
389.11816	0.5
403.13882	1.7
429.15277	0.3
435.12695	0.3
453.13989	0.2
469.14917	0.5
497.14230	4.4
498.14893	1.7
501.17432	0.9
513.17651	0.5
529.16803	41.9
530.17139	2.1
539.18573	0.4
567.18408	2.0
581.19806	0.4
597.17981	0.3
599.21039	5.0
600.21765	0.3
625.27203	0.2
761.26202	100.0
762.26508	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	762.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01863	1.7
55.05517	0.6
55.47717	0.4
57.03447	0.7
59.04995	0.7
60.34579	0.4
65.03947	1.0
67.05504	3.2
69.03428	5.3
69.47176	1.2
69.47575	1.1
70.84335	0.4
71.01347	1.0
71.04993	1.5
73.02922	0.6
77.03909	2.5
79.05485	10.2
80.76659	0.4
81.03412	6.1
81.07045	5.1
83.04959	0.7
85.02901	5.3
86.09700	0.5
91.05476	5.4
93.03394	0.6
93.07040	9.4
95.04961	75.9
95.08591	1.2
97.02886	10.6
97.03485	0.8
97.06517	1.0
99.04456	0.6
103.05459	6.1
105.03414	0.8
105.04505	3.6
105.07021	4.9
106.04173	0.9
107.04947	66.0
107.08582	2.4
108.05238	0.7
109.02869	32.2
109.06496	2.9
109.10172	0.6
111.04419	1.2
115.05448	2.0
117.07014	2.2
118.04128	0.6
119.04918	0.9
119.08537	0.5
121.02840	2.0
121.06497	13.1
122.03604	0.7
123.03516	0.6
123.04423	17.4
125.02342	28.8
125.05975	4.2
126.02666	0.6
127.03911	6.5
129.06973	0.6
131.04936	6.0
131.05893	0.8
132.05673	1.3
133.02821	2.8
133.06491	4.6
135.04404	6.1
135.08015	0.9
135.11682	3.4
137.05966	11.8
139.03879	4.2
143.04962	1.0
145.02821	0.6
145.04881	1.0
145.06464	3.6
147.04382	1.3
148.05156	0.7
149.02350	1.3
149.05966	23.9
150.06366	0.6
151.03891	100.0
152.04231	1.2
153.05455	11.1
155.04826	0.5
157.06447	0.8
159.04384	4.1
160.05217	1.9
161.05957	8.1
163.03893	6.2
163.07516	2.3
164.04243	2.1
165.05463	11.7
167.03380	1.5
167.07024	7.6
169.04938	0.8
173.05957	3.8
175.03874	0.9
175.07526	11.0
177.05457	33.2
179.07013	0.7
180.07703	0.6
181.04887	0.7
181.08630	0.6
185.05966	0.5
187.07527	4.0
189.05489	0.9
189.09041	0.9
191.07007	4.4
192.07858	2.7
193.08591	7.8
195.06509	76.2
196.06926	1.5
201.05426	0.9
203.07059	0.9
205.06877	0.4
205.08553	2.5
209.08043	10.0
213.07553	20.0
219.06519	1.8
227.07056	0.7
227.09064	6.1
231.39546	0.5
235.09641	1.8
237.07541	1.8
245.07930	0.6
269.10266	0.8
277.08521	0.5
293.08032	0.6
295.08154	1.5
303.08640	0.6
307.09262	0.5
309.11050	0.7
321.09622	2.5
325.10535	0.6
337.10928	0.6
339.10703	8.8
343.11145	0.8
355.11652	1.6
357.11768	14.5
363.10745	1.0
367.11880	0.8
370.12619	0.5
375.12570	0.7
377.12198	1.0
381.11832	2.5
395.13187	1.7
397.11340	1.1
411.14240	0.7
413.14438	1.2
441.15363	1.0
501.15689	1.0
533.16486	0.6
547.18805	0.9
565.20227	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.8
55.01862	4.1
65.03929	1.4
67.05498	3.6
69.03426	2.4
71.01345	1.9
71.17226	1.8
79.05482	6.2
81.03412	4.4
81.07064	2.7
83.01331	3.3
85.02892	5.2
91.05473	8.8
95.04964	15.9
96.66003	1.0
97.02892	3.2
97.73042	1.1
103.05473	3.7
105.03406	2.5
105.07010	5.5
107.04945	6.8
109.02866	2.3
109.06508	2.3
115.05438	3.8
116.06231	1.8
117.07006	3.7
119.04952	2.6
119.08575	4.0
121.06480	2.3
123.04436	5.7
125.02321	2.3
127.03854	2.0
128.06219	7.9
129.07013	13.6
131.04935	4.3
131.08511	2.6
133.02846	3.9
133.06453	5.7
135.04433	4.4
137.05981	3.3
139.03908	4.6
141.06998	5.1
142.07727	1.8
143.08553	5.2
144.05673	2.9
145.06535	3.7
147.04387	2.7
147.08005	5.9
149.02365	2.5
149.05969	2.7
151.03897	37.6
152.06201	2.2
153.05481	4.4
153.06989	10.3
155.04878	1.3
155.06097	1.5
155.08556	6.9
157.06497	9.1
159.04376	6.2
159.08070	2.3
161.06006	2.2
162.03114	4.0
163.03917	2.6
165.05482	100.0
165.06946	9.0
166.07759	6.2
167.03389	3.9
167.07159	2.1
167.08571	5.4
169.06476	3.7
171.08090	4.5
171.11719	1.4
173.05966	2.8
175.03912	4.3
175.07538	4.6
177.05481	2.9
178.07832	3.4
179.08510	5.4
181.06450	9.5
181.10059	8.6
182.07298	2.2
183.04378	2.1
183.06619	1.5
183.08064	5.4
183.11743	1.7
185.06009	10.8
185.09607	2.8
187.03918	1.6
187.07520	1.9
189.05482	14.2
189.07053	1.4
190.07730	5.2
191.06967	2.0
191.08519	5.5
193.04872	1.5
193.10120	2.4
194.07269	2.7
195.08083	3.8
197.05986	1.9
197.09584	1.9
199.07533	8.8
199.11194	2.0
201.01982	1.3
201.05475	3.7
202.07707	3.0
203.03377	10.7
203.06975	14.2
203.08621	3.2
205.10118	6.8
207.08044	3.1
207.11642	1.3
208.08867	2.4
209.06044	10.4
209.07854	1.7
209.09674	8.3
211.03951	1.5
211.07530	6.8
213.05447	13.3
213.09070	3.9
215.06807	2.2
215.08633	5.9
217.04964	2.8
217.08507	1.6
217.10355	1.6
218.07246	3.0
219.08037	4.1
221.04350	1.6
221.07993	13.8
223.07533	2.0
223.11200	4.0
225.05476	2.9
225.09187	2.2
227.07037	11.7
227.10643	3.9
229.04982	2.8
229.08633	2.6
231.02853	7.2
231.06459	3.4
233.09589	10.3
235.07637	2.1
235.11340	1.3
237.05684	8.1
237.09042	10.0
239.07031	2.9
239.10727	2.0
241.08478	1.6
243.08289	1.8
245.07991	3.2
246.11261	1.8
249.09183	1.5
251.10718	7.7
253.08583	2.8
255.06477	20.9
255.10046	6.7
257.08023	2.0
261.09143	10.0
263.10721	1.7
265.05026	3.1
265.08548	11.8
266.05701	1.4
269.08087	2.8
269.11548	3.0
273.07520	17.6
279.10120	13.9
281.08139	2.2
283.06015	10.1
283.09641	14.1
287.09280	2.9
289.08923	6.0
297.07788	2.5
297.11182	12.7
299.09305	1.3
301.07053	13.6
301.10687	7.7
307.09399	10.3
308.10184	1.4
309.11209	1.7
315.08600	4.9
315.12152	23.7
317.08093	2.2
319.08096	3.9
321.11322	2.7
325.10684	17.6
327.12100	1.5
333.09674	32.2
333.13452	2.8
335.09033	14.4
339.12085	5.7
343.11673	5.4
349.10669	3.4
353.10156	23.6
357.13251	4.8
367.07230	2.6
367.11728	37.7
368.11499	1.3
371.11301	18.9
385.12769	35.0
389.12222	2.6
403.13828	19.5
417.11169	1.3
495.14966	2.9
764.75537	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.3
53.03932	1.7
55.01874	1.3
55.05510	0.8
57.03436	0.4
59.05001	0.7
60.57760	0.3
65.03947	1.0
66.04700	0.3
66.45052	0.2
66.71945	0.3
67.05505	3.4
69.03429	4.5
69.07069	0.7
69.28624	0.5
69.29027	1.5
71.01358	1.8
71.04993	1.7
77.03904	1.7
79.05495	9.0
81.03408	5.2
81.07045	3.4
83.01347	0.3
83.04967	0.6
83.08626	0.5
84.53577	0.3
85.02905	3.7
86.80022	0.3
87.04437	0.4
87.95364	0.3
91.05476	4.5
93.07047	5.4
95.01316	0.5
95.04964	79.0
95.08589	2.5
95.36832	0.3
96.05269	0.7
97.02888	11.5
97.06522	1.2
99.04446	0.9
103.05463	6.7
105.03391	1.2
105.04514	4.0
105.07018	1.7
107.04950	67.3
107.08569	1.3
108.05296	0.8
109.02874	30.7
109.06518	2.8
109.10164	0.8
110.03200	0.5
111.04441	1.0
111.08058	0.5
115.03901	0.5
115.05475	0.8
117.07004	0.4
117.35295	0.3
119.04926	0.4
119.08562	0.4
121.02874	0.6
121.06504	12.8
121.10091	0.4
123.04425	16.6
123.11690	0.3
125.02348	31.3
125.05986	4.3
126.02688	0.5
127.03909	4.1
131.04924	4.9
131.05923	0.6
131.08585	0.3
133.02872	2.3
133.06488	1.0
135.04404	5.6
135.11725	0.8
137.05963	2.9
137.13260	0.2
138.06308	0.5
139.03899	3.8
141.05444	0.3
143.04933	0.3
145.04970	0.9
145.06485	0.7
147.04414	1.0
147.08171	0.3
149.02361	0.5
149.05972	22.9
151.03897	100.0
152.04218	1.4
153.05466	10.2
153.12715	0.6
159.04416	3.3
161.05986	1.3
163.03908	2.3
163.06155	0.4
163.07512	0.7
165.05469	16.4
167.03438	0.7
167.07025	6.0
169.04993	0.4
171.07961	0.3
173.05948	0.6
175.03954	0.6
175.07526	1.6
177.05461	30.7
178.05865	0.4
179.07126	0.4
181.04881	0.6
181.08623	0.4
187.07536	0.8
191.07004	1.1
192.31355	0.3
193.04892	0.4
193.08595	0.9
195.06517	79.5
196.06853	1.4
197.34077	0.2
203.07030	0.3
205.08598	0.3
207.21060	0.4
209.08076	8.0
209.57268	0.3
213.07567	19.3
215.07066	0.4
219.06500	0.6
225.22107	1.1
227.09103	7.4
235.09654	0.4
237.07460	0.5
249.08904	0.3
251.09065	0.4
265.08481	0.6
266.09076	0.3
269.10193	0.5
271.06049	1.8
271.22665	1.6
272.06354	1.0
277.08612	0.7
278.08884	0.4
287.05283	0.4
289.23752	0.4
295.07977	1.5
297.11298	0.5
303.08701	0.6
309.11356	0.5
321.09668	2.2
339.10678	7.0
350.47574	0.3
357.11789	13.0
379.44629	0.4
381.12109	0.4
413.13623	0.3
501.15509	0.6
519.16766	0.4
538.69147	0.3
547.17828	0.5
565.19556	0.4
762.26868	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01867	3.3
61.02932	1.3
63.43025	1.1
65.03951	1.8
67.05499	4.5
69.03431	5.8
69.24714	5.3
71.01347	2.7
79.05495	11.3
80.80958	1.2
81.03414	3.9
81.07060	2.0
83.01329	4.3
83.04974	2.0
85.02903	6.9
86.92853	1.1
91.05482	12.2
93.03409	1.5
93.07030	2.7
95.04965	22.6
97.02889	4.9
98.22700	2.5
99.04445	1.3
103.05450	6.2
105.03368	4.2
105.04514	2.0
105.07041	5.8
107.04949	14.5
107.08588	1.5
109.02879	4.2
109.06507	2.7
109.16636	1.1
115.05475	5.6
116.06254	2.2
117.07016	7.1
119.04923	3.9
119.08578	3.4
121.06487	4.9
123.04437	8.2
124.03924	1.3
125.02332	4.4
127.03922	2.2
128.05379	1.6
128.06207	8.3
129.07018	17.0
131.04912	5.2
131.08545	5.8
133.02847	4.3
133.06511	10.3
135.04420	7.7
137.06007	3.7
139.03882	4.7
141.06967	7.3
142.07773	2.0
143.04930	1.5
143.08534	4.8
144.05695	4.4
145.06476	5.2
147.04372	5.7
147.08041	4.1
149.02298	2.4
149.05968	3.0
151.03915	40.2
152.06210	2.8
153.05530	4.0
153.06996	13.4
154.07765	2.4
155.08510	7.2
157.06508	9.4
159.04410	8.8
159.08055	2.9
160.05064	1.4
161.05986	4.3
162.03079	3.6
163.03876	4.9
165.05495	100.0
165.06963	13.0
166.05818	1.4
166.07787	6.5
167.03383	3.8
167.07091	2.3
167.08539	7.9
168.05734	2.0
169.06514	3.5
171.04434	1.7
171.08008	8.7
173.05977	3.5
175.03938	6.4
175.07535	4.6
177.05472	5.2
177.06876	1.7
178.07787	3.7
179.07016	4.9
179.08534	7.2
181.06467	14.1
181.10094	10.6
182.07245	2.3
183.04391	1.1
183.06549	2.0
183.08055	7.8
184.05215	1.7
185.05963	12.8
185.09590	4.5
187.03902	3.8
187.07574	2.7
189.05481	13.8
189.09198	1.4
189.98344	1.5
190.07787	3.6
191.06999	1.8
191.08533	6.4
192.09279	2.4
193.04918	2.6
193.06532	1.6
193.10104	2.4
194.07242	3.8
195.06519	6.6
195.08073	3.8
195.11700	2.7
197.05963	3.4
197.09605	2.0
199.07565	8.5
199.11157	2.9
201.01871	1.9
201.05482	4.2
202.07788	3.0
203.03358	9.0
203.07018	14.1
203.08618	2.7
204.09499	1.6
205.10161	9.0
207.06439	2.9
207.08165	3.0
208.08868	1.4
209.06073	10.0
209.07860	2.1
209.09718	9.5
210.06660	1.5
211.03935	2.2
211.07616	6.9
211.11189	2.2
213.05507	13.8
213.09044	4.8
215.06815	2.7
215.08730	6.7
217.04945	2.9
217.08388	1.6
217.10211	2.2
218.07347	3.0
219.08043	3.3
221.07985	13.5
221.09746	1.4
223.07523	1.9
223.11142	2.9
225.05367	2.2
225.09128	2.2
227.07059	15.2
227.10715	3.1
229.04903	1.9
229.08629	2.6
231.02881	5.5
231.06361	3.3
232.08705	1.3
233.04593	1.5
233.09616	9.3
237.05548	8.2
237.09109	11.6
239.06953	3.6
239.10779	1.5
241.08614	2.6
243.08110	2.6
245.08083	3.8
247.07608	3.2
251.07170	1.3
251.10626	6.9
253.05055	1.8
253.08508	2.6
255.06505	16.6
255.10158	7.6
257.07990	2.8
261.09164	11.2
265.04965	3.8
265.08572	11.6
269.08093	3.8
269.11551	2.4
271.07440	1.2
273.07553	17.3
275.08920	2.8
279.10190	15.0
281.08218	1.7
281.11700	1.5
283.06009	9.8
283.09644	14.3
284.06802	1.4
287.09189	2.3
289.08682	7.5
291.10294	1.5
297.07492	3.1
297.11157	10.8
299.09448	1.4
301.07028	10.7
301.10736	6.5
307.09821	14.2
309.11176	1.5
313.10080	1.2
315.08640	5.7
315.12247	23.2
316.12427	1.7
317.08020	1.9
319.08218	1.7
321.11383	2.7
325.10651	20.3
333.09711	31.8
333.13461	1.1
335.09177	12.5
339.12158	3.8
343.11801	7.8
349.10825	4.0
353.06171	2.0
353.10153	23.1
357.13196	6.0
367.11765	36.1
371.11234	20.4
385.12793	38.1
386.13202	2.9
389.12183	1.9
403.13885	15.8
472.57443	1.4
495.14758	2.9
762.28064	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00320	0.7
53.03733	0.5
53.03934	2.7
55.01870	1.6
55.05520	0.9
57.03436	1.0
59.05001	8.4
60.46251	0.5
61.02916	0.5
63.48078	0.5
65.03917	0.6
67.05504	3.7
68.02642	1.1
68.90981	0.5
69.03436	5.9
69.07092	0.7
69.20120	2.7
71.01352	4.6
71.04996	1.5
73.02907	1.3
77.03902	2.8
79.01829	1.1
79.05489	18.1
81.02953	0.9
81.03414	11.1
81.03893	0.6
81.07058	6.0
83.01337	0.7
83.04985	3.2
85.02898	5.2
87.04482	1.1
91.05476	7.2
91.05988	0.8
93.07031	7.8
95.01331	2.0
95.04964	26.0
95.08620	3.2
96.05283	0.6
97.02892	7.1
97.06514	0.8
99.04450	1.8
103.03959	1.0
103.05465	11.6
105.03403	1.2
105.04504	3.2
105.07034	2.4
107.04951	86.6
108.05262	1.0
109.02873	100.0
109.06509	7.6
109.10201	1.0
110.03188	1.1
111.04437	4.1
111.08041	0.9
115.03918	0.7
119.04959	0.8
119.08563	0.5
120.50943	0.5
121.02895	0.5
121.06501	19.0
121.10094	0.5
123.00773	0.5
123.04420	8.8
123.05257	0.6
125.02351	20.1
125.05998	1.6
127.03901	4.2
131.04924	8.9
133.02855	3.0
133.03854	0.7
133.06497	1.5
135.04416	5.5
137.05945	3.8
139.03894	53.9
139.07515	0.9
140.04306	0.6
141.05440	1.9
145.04912	1.5
147.04393	1.5
149.05972	36.5
150.06313	0.5
151.03899	53.6
152.04202	0.8
153.05467	13.4
159.04391	6.8
159.05553	0.5
161.05956	1.0
163.03928	1.3
163.07579	0.9
165.05470	67.4
166.05821	0.7
167.03456	0.6
167.05721	0.9
167.07037	14.0
169.05054	0.6
173.04474	0.7
175.03954	1.1
177.05461	79.6
178.05791	1.4
179.06979	0.6
181.04921	0.9
181.08623	1.0
191.07011	4.5
193.08614	0.8
195.06520	30.0
209.08076	95.6
210.08405	2.1
213.07559	28.5
214.07892	0.5
225.22037	0.9
227.09087	2.5
234.75783	0.5
243.23163	0.5
251.09093	0.8
269.06522	1.0
269.10046	0.9
271.05786	0.9
289.23740	2.4
295.08038	0.9
301.09097	0.9
303.08496	1.0
321.09625	3.3
339.10645	7.6
353.12238	1.3
355.15204	0.8
357.11761	1.3
371.13474	3.1
375.12286	0.5
418.98944	0.5
481.13693	0.6
507.14856	1.0
515.15271	0.9
533.16370	2.5
565.18866	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01877	0.6
55.05502	1.7
55.80295	0.2
57.03434	0.3
57.07048	0.3
59.04996	1.9
65.03930	1.0
67.05503	1.2
69.03431	3.4
69.07067	1.2
69.22164	1.1
69.22566	0.5
71.01336	0.3
71.04987	11.4
73.02897	0.3
73.06558	2.9
77.03918	0.6
79.05486	4.3
81.03417	3.5
81.07052	15.6
83.04967	0.7
83.08603	0.7
85.02897	1.7
86.66798	0.2
91.05468	3.2
93.03387	0.7
93.07037	13.5
94.04195	0.4
95.04960	6.3
95.08598	3.0
97.02884	3.7
97.06523	1.2
99.04456	1.4
103.05446	0.8
105.04483	0.4
105.07033	1.5
107.04952	4.0
107.08590	9.9
109.02875	6.7
109.03625	0.2
109.06504	1.2
109.10125	1.9
111.04414	1.0
111.08076	0.3
115.05434	0.9
117.07014	4.3
119.04925	0.4
119.08570	0.9
121.02857	6.5
121.03778	0.3
121.06490	2.1
121.10161	0.4
123.04419	2.4
123.08125	0.3
125.02341	1.9
125.09641	0.2
127.03910	5.6
129.06976	0.9
131.04915	1.2
133.06485	0.7
133.10141	0.4
135.04375	0.6
135.08080	1.2
135.11684	20.0
137.05966	1.3
137.09622	0.4
139.03886	5.1
145.02827	0.3
145.04907	0.4
145.06479	6.4
145.10213	0.4
147.04387	0.6
147.08093	0.4
147.11647	0.3
149.02330	2.7
149.05975	2.2
149.09605	0.3
151.03874	1.8
153.05525	1.5
153.12732	100.0
154.13071	1.8
155.04898	0.3
155.06044	0.7
159.04430	1.9
161.06075	0.4
163.03885	1.9
163.07532	3.5
163.11081	0.2
165.05502	1.4
165.09126	0.3
165.12672	0.2
167.03409	2.1
167.07063	1.3
171.08179	0.2
173.05963	7.2
175.03865	1.1
175.07542	0.6
177.05478	1.3
177.16298	0.6
181.04959	1.1
185.04449	0.9
187.07510	0.3
189.05508	0.4
191.07022	7.0
191.08694	0.5
193.08711	0.5
193.54787	0.2
195.06526	0.4
199.03708	0.2
199.06029	0.9
201.05463	0.8
205.08539	1.3
209.08047	0.9
217.05006	0.3
219.06516	4.2
223.09680	0.6
233.07887	0.3
237.07544	4.6
243.13802	0.2
251.09122	1.1
255.08655	1.0
261.15005	0.3
269.10236	1.6
275.05579	0.3
281.07874	0.3
287.05344	0.3
291.08551	0.3
293.06528	0.7
307.08038	0.4
311.07666	1.1
325.09122	1.8
327.08499	0.5
343.10379	1.2
345.09674	1.8
355.15424	0.6
359.11292	0.6
363.10660	3.2
377.12241	2.3
381.11707	6.0
395.13309	3.6
413.14642	1.2
417.02069	0.3
423.23956	0.3
525.16003	0.6
529.23462	0.4
547.25128	1.0
763.30975	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.0
57.03434	1.1
57.57213	1.0
61.02925	3.8
64.09286	0.9
66.51125	0.9
67.05508	2.9
67.29430	0.9
67.84206	1.0
69.03432	3.9
70.03937	1.0
71.45238	1.2
73.02927	2.1
79.05479	2.5
81.03442	3.1
81.07054	3.7
83.04989	2.0
85.02911	3.9
91.03947	2.4
91.05470	1.9
93.07033	2.4
95.04986	1.0
95.08623	1.3
97.02904	3.6
101.02357	1.4
105.07046	2.8
107.08583	1.9
119.08598	1.6
125.00050	1.2
133.10092	1.8
137.23314	1.0
145.10172	1.3
147.11754	1.7
184.07336	2.3
198.26935	1.0
203.41367	1.0
243.08434	1.7
246.19278	1.1
275.84961	1.4
322.86243	1.2
453.11359	1.1
469.20544	8.6
488.54996	1.1
527.63220	1.0
535.28796	3.5
763.42297	100.0
764.42560	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	764.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.7
57.03447	1.0
61.42078	0.7
65.03940	2.2
65.05511	0.6
68.39014	0.7
69.03422	3.0
71.04971	0.7
77.03913	0.9
79.05476	2.8
81.03411	2.3
81.07027	0.9
85.02906	5.2
85.73594	0.7
91.05479	6.0
93.03400	1.7
95.04958	4.2
97.02885	2.2
103.05472	11.2
105.03384	2.0
105.07019	4.4
107.04934	7.2
109.02881	2.0
109.06522	1.1
111.04435	1.1
115.05474	3.3
117.07026	2.6
118.04154	2.7
119.04924	6.1
119.08556	1.4
121.02868	2.5
121.06501	1.4
122.03648	3.4
123.04417	2.9
125.05196	0.8
125.05965	3.5
127.03927	0.9
128.06210	1.1
129.07013	1.8
130.04079	0.8
131.04926	22.2
132.05653	1.5
133.02846	5.6
133.06488	4.6
135.04388	1.7
135.08116	1.1
136.05182	0.9
137.05971	46.8
141.05489	2.8
143.04921	1.3
144.05708	1.4
145.04953	0.7
145.06488	4.1
146.03630	1.1
147.04382	6.1
147.08052	2.5
148.05136	4.4
149.05977	4.3
151.03900	50.4
151.04944	3.0
151.07472	3.6
152.04362	0.8
153.05453	5.8
155.04895	1.2
157.06476	1.8
159.04256	0.8
159.08067	3.2
160.05190	2.3
160.08417	0.7
161.06004	5.9
162.06715	1.1
163.03908	4.5
163.07516	13.5
165.05478	4.1
165.06979	2.1
167.07027	31.0
169.06413	1.0
171.04382	1.3
173.05991	2.8
174.06784	1.1
175.07532	22.2
176.04681	1.6
176.08047	0.8
177.05435	4.7
179.07024	8.2
179.08447	1.2
181.04956	17.6
181.08617	1.0
185.05913	1.3
187.03902	1.3
187.07483	6.5
187.66214	0.7
189.05469	1.7
189.07066	1.4
189.09125	1.9
190.06232	1.4
191.07021	63.6
192.07521	1.6
193.08566	9.1
193.10098	1.1
194.07230	2.0
195.06523	1.9
195.08112	1.1
197.08087	1.6
199.07582	2.0
201.05373	0.8
201.09094	1.7
202.07788	2.0
203.07047	2.3
203.08611	2.1
205.06522	2.1
205.08603	4.8
205.10191	0.8
206.07259	1.6
207.06424	1.0
207.08083	2.8
208.08720	1.2
209.06299	0.8
209.08054	3.3
209.09760	1.6
210.06801	0.8
211.07582	1.4
211.09555	0.9
217.08614	2.2
218.07190	1.5
219.08072	4.0
219.10046	1.5
220.08821	2.5
221.06055	1.3
221.09683	1.6
222.06734	2.1
223.07516	2.2
223.09677	1.2
224.08221	0.8
225.09169	1.1
230.07190	1.2
231.08057	3.1
232.08810	1.4
233.05948	1.5
233.08098	2.2
233.09911	1.2
234.06807	1.9
235.07513	4.4
235.09698	3.8
236.08316	3.9
237.09135	5.3
238.06232	0.9
239.07042	1.1
239.10635	1.1
244.03575	0.7
246.06665	0.9
247.07539	3.3
247.09683	0.9
248.08269	4.2
249.09111	5.0
250.06268	2.3
250.09749	1.0
251.07143	2.0
251.10609	2.1
252.07764	1.6
253.08604	2.8
254.09462	0.9
259.07394	1.5
260.08182	1.3
261.09143	2.8
262.10031	1.7
263.06927	1.8
263.09122	13.9
264.07690	4.1
265.08490	9.5
265.10727	1.1
266.09323	3.0
267.10104	2.5
273.09085	1.8
275.06924	1.6
276.07782	2.8
277.08698	4.0
278.06021	1.2
278.09354	2.4
279.06589	2.3
279.10165	3.8
280.07645	0.8
281.08173	1.8
281.11761	2.1
282.08743	1.2
283.09671	2.1
289.08661	1.8
291.10110	9.8
292.07281	1.4
292.10919	0.8
293.07977	5.4
293.11087	0.8
294.08887	4.0
295.09567	3.0
295.12955	0.7
297.11157	2.8
299.09238	0.9
299.12772	0.9
304.07361	1.0
305.08188	1.0
307.09509	6.2
308.10437	3.1
309.11194	10.1
311.09396	1.2
311.12741	6.8
313.10547	1.0
319.09659	11.3
320.10403	1.8
321.07608	1.1
321.11252	2.8
322.08340	1.5
323.09268	1.4
323.12781	1.7
324.09946	0.9
325.10577	5.7
325.14148	1.2
326.11343	1.4
327.12286	2.4
329.13809	5.9
337.10666	52.4
338.11328	5.4
339.12225	12.8
340.13062	1.9
341.10141	1.4
341.13773	6.3
351.12210	18.7
352.12735	2.0
353.10141	0.9
353.13922	7.0
355.11670	4.7
355.15131	3.7
357.13278	11.7
369.13303	100.0
370.13635	5.2
371.14868	1.0
383.14819	1.3
387.14337	39.5
388.14682	2.0
501.19412	1.4
549.20770	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.3
57.03436	1.1
57.70839	0.9
65.03941	16.7
67.05500	3.6
69.03457	1.5
69.07077	0.9
77.03921	1.2
79.05497	2.7
81.03431	2.8
81.07041	1.4
82.04195	4.2
85.02913	3.8
91.05476	6.2
93.03406	16.0
93.07049	2.3
95.01318	2.8
95.04958	7.8
97.02911	1.8
97.06552	2.1
103.05457	2.7
105.03391	1.1
105.04516	1.0
105.07037	2.9
106.04193	3.5
107.04950	9.0
108.02097	2.0
108.05256	1.5
109.02865	3.8
109.06499	1.3
110.03671	14.5
111.04439	19.5
115.05428	1.9
119.04949	6.1
119.08565	0.9
121.02861	15.4
121.06525	3.7
121.10153	0.9
122.03675	0.9
123.04432	3.3
125.05114	1.8
125.05994	24.1
125.06925	1.3
127.03929	1.5
129.06999	1.5
131.04922	3.8
133.02818	4.8
133.06544	2.5
134.03560	0.9
135.04405	1.1
137.05971	13.8
138.03117	2.7
144.05678	1.4
145.06480	1.5
147.04366	5.4
147.08122	1.4
149.05969	5.9
151.03935	5.9
151.07524	3.0
152.04295	1.3
153.05464	100.0
154.05783	1.2
158.07181	1.0
159.08101	4.9
161.05954	4.8
163.03879	4.5
163.07515	2.8
165.05490	3.5
165.06895	1.7
166.02786	0.8
166.07829	1.5
167.07048	12.4
174.06749	1.7
175.07524	4.5
177.05490	5.4
177.06859	0.9
178.07819	1.0
179.07040	3.4
179.08531	1.8
181.04932	1.5
181.06433	1.5
181.08559	1.7
182.07178	1.1
183.07947	1.1
185.05962	2.1
186.06609	0.9
187.07506	4.1
189.05461	0.9
191.07025	2.9
191.08549	2.2
192.09251	1.1
193.08597	2.4
194.07384	2.4
195.06544	3.7
195.08109	2.3
196.06947	1.6
197.09528	1.4
199.07547	2.7
203.06972	1.0
204.07896	1.2
205.06567	1.2
205.08556	1.9
206.07254	1.7
207.06418	1.3
207.08206	1.4
208.08838	1.9
209.08022	8.1
209.09691	1.1
210.06741	1.9
211.07562	2.8
215.06885	1.0
216.07803	7.7
217.06558	1.0
217.08588	1.9
218.07315	2.0
219.08011	3.9
220.08830	3.3
221.05904	1.4
221.09610	1.4
221.95099	0.9
223.07556	2.4
223.11124	1.2
225.09149	3.7
226.06131	2.0
229.08592	3.1
233.09850	0.9
235.07521	3.1
236.08301	4.5
237.05728	0.9
237.09085	3.4
239.06979	3.6
239.10693	2.3
241.08858	1.2
246.06778	1.5
247.07448	3.0
247.09651	12.7
248.08366	1.6
249.09090	3.3
250.10098	1.6
251.06993	2.0
251.10712	5.6
252.07959	1.9
253.08611	11.0
253.14275	1.2
254.09288	2.5
255.10004	1.1
261.09232	1.8
263.06940	2.3
264.07849	4.2
265.08600	4.0
266.09360	2.1
267.10187	2.8
269.11588	5.3
275.07187	1.3
276.07770	1.5
277.08597	2.4
278.09296	1.2
279.10077	5.3
281.08026	1.6
281.11670	1.9
282.08807	3.1
283.09753	2.2
292.07315	0.9
293.08209	1.8
294.08923	1.2
295.09528	2.5
296.10593	1.2
297.11224	8.4
298.11832	1.3
299.13065	1.1
307.09616	16.1
308.10114	2.3
309.11218	2.9
311.12564	1.1
319.09622	1.8
321.11023	1.8
325.10681	53.1
325.13937	2.3
326.11224	3.7
327.12247	2.9
329.13840	1.4
337.10745	2.6
337.14395	1.2
339.12265	43.3
340.12772	2.6
341.13858	5.9
351.12354	7.0
353.13818	2.6
355.11798	1.5
357.13303	74.8
358.13641	3.4
369.13226	12.2
370.14096	2.8
371.14883	1.4
387.14407	10.0
397.79968	0.9
489.18884	3.0
764.25342	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
55.07769	0.8
57.03421	1.0
61.02942	1.0
65.03942	19.8
67.05499	4.0
68.73829	0.8
69.03432	3.7
70.06575	1.2
70.49596	1.3
75.04468	1.7
77.03913	1.3
79.05492	3.8
81.03421	3.2
81.07040	2.1
82.04202	3.0
85.02917	6.6
91.05452	7.0
93.03405	14.3
93.07056	2.6
94.04183	1.4
95.01322	2.1
95.04975	7.5
97.02912	2.7
97.06536	1.8
103.05471	10.9
105.03445	1.0
105.07030	3.9
106.04195	2.8
107.04946	9.9
108.02109	1.9
109.02879	3.3
109.06477	1.5
110.03666	19.1
111.04449	21.3
115.05458	3.1
116.65257	1.0
117.07013	2.2
118.04185	1.4
119.04972	6.7
121.02854	11.5
121.03725	1.6
121.06499	6.2
122.03654	2.5
123.04429	2.8
125.02374	1.3
125.05997	25.3
127.03939	1.5
129.07033	3.8
130.04132	1.0
131.04930	18.3
131.08598	1.1
133.02852	4.7
133.06462	5.6
135.04425	3.0
135.08023	1.4
137.05980	35.1
138.03140	2.6
141.05446	1.0
143.04938	3.5
144.05748	1.4
145.02783	1.4
145.04967	1.2
145.06497	5.3
146.07297	1.3
147.04413	9.5
147.08061	1.8
148.05229	3.2
149.02348	1.6
149.05975	8.1
151.03911	36.2
151.04988	2.0
151.07552	5.6
152.04285	0.9
153.05469	100.0
154.05731	1.4
155.04893	1.6
156.05721	1.1
157.06491	2.4
158.07294	1.7
159.08051	7.7
161.05952	7.6
161.09615	2.4
163.03944	4.5
163.07539	17.1
165.05515	4.5
165.06885	1.7
167.07039	32.0
167.08466	2.1
171.04433	2.4
173.06038	3.1
174.06786	2.5
175.07565	12.3
175.63367	1.0
176.04762	1.1
177.05515	6.2
178.06020	1.2
178.07698	1.7
179.07059	6.6
179.08485	1.3
181.04967	12.3
181.06406	1.5
181.08569	1.7
185.06006	2.3
186.06755	5.5
187.07559	9.7
189.05415	2.2
189.07159	1.3
189.09106	3.1
190.06216	1.2
190.07831	1.8
191.07031	45.9
191.08479	2.6
193.06514	1.5
193.08617	2.6
194.07256	1.9
195.06531	3.5
195.08144	2.8
196.06903	1.1
197.08051	1.1
199.07593	3.9
202.07826	1.4
203.07014	3.3
203.08673	1.9
205.06758	1.5
205.08629	6.4
207.08084	3.4
208.08820	2.1
209.08017	8.0
209.09789	1.7
210.06734	1.2
215.07033	1.5
216.07877	5.9
217.08514	4.5
218.07294	2.9
219.08063	7.9
219.10176	5.0
220.08870	3.9
221.06033	2.2
221.09612	4.1
222.06691	1.0
223.07431	2.9
223.11320	1.3
224.08363	2.2
225.09326	1.9
226.06155	2.2
229.08551	4.5
231.08035	1.9
233.05997	1.7
233.07971	1.5
233.09904	1.1
234.06755	2.2
235.07532	5.0
235.09673	3.9
236.08356	8.6
237.09068	5.5
238.06433	1.1
238.09789	1.1
239.07057	4.0
239.10660	3.6
246.06891	1.2
247.07466	3.3
247.09726	9.2
248.08382	3.2
249.05443	2.1
249.09085	5.3
250.06296	1.0
250.09805	2.0
251.07039	2.6
251.10669	13.2
252.07816	1.3
252.11514	1.0
253.08611	10.6
254.09314	3.2
259.07379	1.0
261.05688	1.1
261.09128	1.7
263.06802	2.5
263.09219	5.6
264.07770	8.0
265.08447	7.2
265.10541	1.3
266.09341	2.7
267.10165	3.4
268.10959	1.7
269.11746	3.4
271.09879	1.0
275.07043	2.8
276.07794	4.7
277.05768	0.9
277.08505	4.8
278.09314	2.5
279.10138	9.7
280.07288	1.1
281.08127	3.5
281.11810	4.1
282.08997	2.4
282.12402	0.9
283.09784	2.3
283.13281	7.2
289.08615	1.5
291.10181	2.0
292.07291	3.1
293.08084	3.6
294.08981	2.8
295.09595	3.2
296.10428	2.0
297.11218	7.1
298.11624	1.4
305.08093	1.3
306.08948	1.3
307.09625	33.4
308.10284	5.9
309.11230	6.1
311.12750	7.3
313.10818	1.1
319.09625	3.5
321.11285	2.8
322.11975	1.4
323.09052	1.3
323.12839	2.0
324.09879	1.4
325.10699	38.5
325.13950	1.5
326.11267	2.9
327.12286	2.5
329.13931	1.6
337.10770	3.9
338.11203	1.1
339.12268	72.5
340.12799	4.2
341.13818	14.2
351.12283	11.6
352.12759	1.1
353.13782	5.5
355.11740	4.2
357.13321	52.3
358.13550	1.8
359.14908	1.5
369.13336	17.2
370.13745	2.3
371.14999	4.8
387.14328	34.2
388.14694	1.3
489.18668	2.1
499.16827	1.5
517.18726	1.0
549.20081	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	764.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.4
57.03439	1.8
57.07061	0.9
59.04985	0.5
60.87334	0.5
65.67351	0.5
67.05510	3.0
69.03426	20.0
69.07059	3.1
69.50102	0.5
71.05008	0.7
71.45673	0.7
73.02910	6.0
79.05488	1.7
81.07056	4.9
83.04988	0.7
83.08607	1.3
85.02900	65.2
85.79945	0.5
86.09763	0.7
91.05477	3.5
93.07038	5.7
95.08604	7.8
97.02888	86.2
97.06506	3.8
97.10198	0.6
99.04465	1.2
99.08080	1.2
105.07022	6.4
107.08590	7.6
109.06512	0.8
109.10137	3.6
111.08048	0.8
115.03926	57.8
117.07005	1.7
119.08575	13.6
121.10149	5.8
123.08083	0.9
123.11694	1.4
125.09641	1.1
127.03908	13.2
129.07007	1.5
131.08546	5.5
133.10121	14.0
135.11708	2.5
137.09584	0.6
139.03889	0.6
142.07796	1.4
143.08563	4.0
144.09320	0.9
145.10124	9.0
147.11671	5.8
149.09663	0.6
149.13242	1.7
155.08508	1.6
156.09332	2.1
157.04956	100.0
157.10107	8.5
158.05295	1.7
158.10822	0.7
159.11673	11.3
161.09651	0.9
161.13289	3.8
163.11171	0.9
163.14833	0.7
169.10184	2.7
170.10925	1.6
171.11668	9.1
173.13248	8.7
175.06012	77.3
175.14812	3.2
176.06337	1.1
177.12709	1.1
179.14108	0.5
181.10161	0.8
182.10912	0.6
183.11676	3.9
184.07330	1.4
184.12408	0.7
185.13235	7.9
187.14812	4.8
189.12793	0.9
189.16409	1.7
191.14363	0.8
195.11694	1.6
196.12350	0.7
197.13217	5.2
199.14815	8.7
201.16377	4.3
203.14261	1.8
205.15826	2.3
207.11710	0.5
209.13205	2.5
211.14822	3.5
213.16354	7.8
215.14366	1.7
215.17923	2.5
217.07085	1.5
217.15852	4.9
219.17435	0.9
221.13246	1.2
223.14787	1.2
225.16385	1.6
227.17963	0.9
229.15886	1.1
231.17461	1.6
235.14743	0.8
237.16327	1.7
239.17885	1.4
243.17361	1.4
245.18866	0.8
249.16245	0.6
251.17905	1.2
253.19495	0.6
257.18997	1.0
263.17834	0.5
269.19064	0.7
271.20694	0.7
271.99463	0.5
279.21039	0.8
281.18796	0.8
283.20428	0.8
291.21024	1.4
293.22562	1.1
297.21921	0.8
305.22662	0.7
309.22107	0.8
315.20651	0.6
317.22507	1.1
319.24194	1.1
323.23764	0.6
331.24298	0.6
333.25635	0.6
347.23474	0.6
353.24585	0.7
359.27097	0.7
375.26587	1.1
399.30283	2.5
417.31503	41.4
418.31708	1.9
435.32565	6.2
459.32489	0.5
477.33600	14.9
495.34769	3.6
523.74072	0.5
788.18671	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	24.5
57.03434	16.9
59.22068	5.3
67.05508	100.0
69.07064	28.4
69.39893	16.4
69.40303	11.6
79.05487	70.4
81.07061	89.8
83.08634	14.4
85.02869	6.5
91.05480	31.7
93.07046	80.3
95.04962	10.0
95.08604	74.4
97.06574	6.8
98.23421	10.8
105.06387	6.0
105.07024	39.2
107.08589	31.5
109.10157	34.3
117.07012	9.4
119.08585	30.3
121.10142	40.3
123.11727	11.9
129.07019	6.2
131.08568	25.4
133.10167	28.5
135.11659	34.3
139.11243	5.5
143.29784	5.5
145.10162	13.1
147.11717	13.2
149.13266	17.4
159.11722	12.0
161.13399	5.5
173.13341	5.5
175.14833	4.9
205.99152	5.8
215.18091	10.5
233.19003	9.2
261.21979	10.8
287.45679	5.7
307.22757	45.0
312.57797	6.6
335.25851	66.2
349.70648	6.6
373.17545	5.6
493.39413	6.4
567.43762	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	765.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
62.86423	0.5
70.06636	0.6
95.84572	0.6
137.05937	0.7
185.04195	2.3
206.75117	0.6
309.09570	0.6
311.40536	0.5
367.10376	0.6
394.14047	0.6
410.71112	0.5
421.12418	0.7
440.14563	2.1
441.15503	1.4
449.13983	0.8
587.17511	0.6
601.18677	1.2
602.20013	0.7
603.20398	6.8
697.17328	0.5
765.25684	100.0
766.26013	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	766.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.9
57.03432	3.3
60.93087	1.7
65.03938	6.4
67.05500	3.6
69.03425	5.4
70.78915	2.8
71.37005	1.7
79.05503	6.5
81.03409	6.0
81.07060	3.8
81.96659	1.8
85.02911	11.4
89.03934	6.6
91.05482	12.4
93.03433	5.3
93.07040	5.3
94.41833	1.8
95.04963	10.1
97.02905	6.0
97.06522	2.5
99.04440	3.0
103.05471	9.5
104.05810	2.2
105.07045	10.4
105.41041	1.6
106.04158	8.5
107.04958	9.8
109.02886	3.8
109.06509	2.9
110.03673	2.6
111.04459	5.3
111.08093	6.2
115.05447	3.9
117.03374	23.9
117.07052	2.5
119.04942	11.7
119.08585	1.7
121.06496	10.4
122.03693	2.2
123.04430	5.2
123.08070	2.3
125.05993	7.5
127.03909	37.9
129.07025	5.2
131.04929	10.4
131.08594	3.0
133.02846	16.8
133.06502	8.9
134.03598	3.2
135.04463	4.2
135.08084	4.1
137.05975	44.3
137.46545	1.6
138.06314	3.1
139.03918	3.4
144.05737	1.8
145.02843	61.6
145.06529	3.8
145.10114	1.8
147.00577	3.3
147.04413	11.8
148.05135	2.4
149.05965	28.5
150.06725	2.3
151.03922	20.6
151.07565	14.6
152.04282	7.1
153.05489	11.4
153.09125	3.2
157.06500	5.7
160.12254	1.6
161.05971	18.1
162.06703	3.2
163.03928	5.8
163.07564	11.4
164.07916	2.4
165.05518	7.2
167.07054	32.1
168.07352	2.5
173.05992	2.7
174.06747	3.7
175.03928	7.5
175.07582	11.4
176.04620	1.8
177.05470	79.1
177.09169	3.0
179.03113	2.2
179.07033	23.9
181.04980	40.7
181.06596	3.1
181.08545	11.8
182.05350	3.0
182.27086	2.1
186.05553	2.7
187.07512	4.0
188.08081	3.0
189.09090	14.8
190.06479	1.9
191.06989	25.6
191.08607	2.0
192.07405	6.9
193.08615	6.3
195.08046	3.4
195.10080	3.9
197.08087	80.0
198.08504	2.5
201.05444	11.2
203.07059	3.4
205.06619	1.8
205.08571	4.0
209.08073	30.7
212.66142	1.7
217.08482	3.8
219.08228	3.0
219.09973	8.5
223.07437	4.5
233.05887	2.5
234.06813	3.0
237.09166	4.1
239.07018	2.3
241.08696	3.1
247.07494	2.9
249.09268	4.0
250.09619	1.9
251.06856	2.4
252.07745	3.0
253.08641	9.5
253.12424	2.6
257.08334	2.5
257.11853	2.5
259.09811	2.4
265.08426	8.6
266.09113	2.9
267.10144	4.3
269.08060	4.4
277.08636	6.8
279.10104	2.0
281.08176	2.0
281.11670	1.8
282.09100	2.0
283.09756	6.8
293.08185	3.8
293.21118	3.1
294.08832	2.3
295.09732	2.5
297.11298	2.6
298.08267	3.1
299.12735	3.3
300.09915	10.7
307.09641	3.3
309.11191	7.4
310.12186	3.1
311.12656	4.9
313.10675	34.1
313.14334	25.3
315.12283	3.1
321.10834	3.1
325.10669	15.8
326.11609	4.2
327.12256	14.9
329.13794	15.5
331.15329	8.7
337.10721	7.7
338.11072	2.8
339.12213	16.1
341.13840	22.3
343.15369	2.1
352.12900	2.5
353.13626	4.4
355.11740	13.1
355.15564	6.8
356.12338	3.2
357.13324	10.4
357.17285	2.8
359.14874	100.0
360.15131	4.7
361.16455	14.7
362.21942	1.9
367.15540	3.2
369.13290	3.6
370.13681	3.2
371.14899	33.8
372.15674	2.1
373.16373	6.9
375.14545	2.5
379.10449	2.2
387.14334	5.9
388.14752	9.6
389.15625	17.0
401.15771	2.4
411.12579	3.5
485.17682	2.2
509.21552	7.1
521.21552	10.9
535.13983	7.5
574.55487	2.0
652.76245	2.0
766.36945	5.2
767.23682	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.8
55.05516	1.9
56.57477	2.0
57.03455	1.8
59.68097	1.7
61.06111	1.7
65.03939	6.8
67.05487	3.2
69.03434	5.9
69.15109	7.0
69.15519	5.2
71.04993	2.6
74.83098	1.6
75.04482	3.0
77.03925	2.9
79.05490	7.6
81.03406	6.0
81.07046	5.4
81.32974	1.7
83.54870	2.0
85.02905	13.6
89.03915	7.8
91.05477	20.8
93.03417	6.3
93.07050	4.3
95.04952	8.8
97.02894	7.9
97.06547	2.0
97.23132	2.3
100.48351	1.8
103.05454	11.1
105.03402	2.7
105.07006	11.6
106.04169	9.8
107.04926	13.0
107.08575	2.4
109.02863	6.0
109.06506	5.6
109.10123	2.0
110.03664	2.8
111.04432	8.7
111.08103	11.1
115.05452	3.1
117.03394	30.3
117.07030	4.3
118.04204	2.2
118.58739	1.7
119.04957	13.1
121.02916	3.3
121.06517	15.5
122.03648	5.5
123.04441	6.4
123.08044	3.0
124.05202	2.5
125.05975	7.7
127.03914	46.6
129.07013	8.0
131.04930	17.3
133.02859	18.3
133.06483	11.4
134.03656	4.3
135.04413	5.5
135.08073	5.8
135.15744	1.9
137.05986	57.9
138.06345	5.4
139.03897	6.9
139.07634	1.7
145.02852	70.5
145.06534	5.2
147.00443	2.2
147.04416	17.0
147.08130	2.7
148.05222	2.9
149.05994	32.8
150.06737	3.3
151.03918	25.0
151.07535	17.0
152.04272	7.3
153.04448	1.9
153.05496	13.6
153.09129	3.3
155.05991	2.3
157.06476	7.9
159.08008	3.6
161.05986	19.0
161.09612	2.6
162.06744	4.2
163.03917	10.4
163.07515	17.2
165.05499	10.0
167.07051	33.3
173.05936	5.1
174.06689	2.9
175.03851	8.8
175.07562	14.0
177.05481	94.3
177.09077	6.1
178.06017	1.9
179.07013	30.4
179.37553	1.9
181.03574	1.6
181.04959	45.3
181.06360	2.3
181.08580	12.8
187.07547	6.4
189.05531	2.2
189.09135	17.6
191.07019	26.4
191.08672	3.2
192.07378	10.7
193.08795	10.8
195.06557	2.5
195.08203	2.4
195.10248	3.8
197.08090	95.1
199.07449	2.1
201.05440	16.1
203.06999	2.7
205.06503	3.1
205.08502	1.9
207.10138	2.4
208.08699	1.9
209.08055	26.8
210.06708	2.0
210.47945	2.0
217.08653	5.8
219.08078	3.0
219.10101	6.7
221.07971	3.2
221.09836	3.9
223.07590	4.6
225.09134	3.6
233.06065	4.9
234.06609	2.4
235.07533	4.1
235.09583	3.5
236.08151	2.2
237.09164	5.1
238.09842	2.0
238.50400	2.0
239.10661	2.2
240.07733	4.1
241.08514	2.3
245.53947	1.9
247.07491	2.4
249.09155	6.3
250.06242	2.2
251.07034	2.5
251.10704	3.0
252.07890	2.8
253.08594	8.1
254.09186	2.9
255.10078	3.0
262.06268	2.2
263.09186	3.5
265.08655	6.3
266.09326	5.7
267.10193	4.5
269.08044	3.1
277.08499	4.7
278.09158	2.3
279.10077	3.5
281.08148	3.9
281.11725	4.9
283.09811	4.5
284.10352	3.0
285.11111	4.7
290.09061	2.1
291.09937	2.3
292.07376	2.7
293.08081	5.1
293.11456	2.8
293.20844	2.5
295.09634	6.7
297.11139	3.0
298.08417	5.2
299.12503	2.8
300.09879	8.8
305.07950	3.7
307.09644	3.4
309.11090	5.4
310.11926	2.4
311.12808	4.9
312.09720	2.5
313.10678	29.6
313.14340	23.1
314.11493	3.1
321.11142	2.3
325.10718	18.2
326.11429	5.8
327.12228	12.8
328.12875	2.7
329.13788	22.9
331.15457	9.6
337.10709	7.6
338.11337	2.7
339.12262	19.4
341.13791	19.1
342.14169	2.6
343.15408	3.2
347.15009	2.5
351.12070	3.2
353.13559	3.5
355.11722	20.4
355.15509	5.7
356.12238	3.1
357.13412	12.9
359.14902	100.0
360.15433	4.0
361.16312	13.5
367.15640	3.1
369.12857	2.1
370.13654	3.0
371.14886	34.0
372.15039	2.8
373.12497	2.8
373.16571	5.4
375.14401	4.9
385.16263	2.4
387.14359	5.6
388.14627	10.4
389.15588	21.8
428.71933	2.1
501.90353	2.1
509.21713	5.4
521.21429	9.8
535.14471	2.9
766.36914	3.5
767.23883	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	766.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
56.24476	0.7
57.03438	0.9
65.03936	4.3
67.05473	0.8
69.03428	5.4
69.26977	2.8
69.27386	1.9
79.05476	2.2
81.03403	2.5
81.07057	2.2
82.04167	0.9
85.02904	6.4
89.02401	0.8
91.05478	5.4
93.03421	2.7
93.07017	1.1
95.04977	4.0
97.02883	2.6
97.06543	1.2
99.04449	1.2
103.05458	4.8
105.07016	2.8
107.04976	5.4
107.08582	1.3
109.02854	1.4
109.32354	0.7
110.03658	3.1
111.04442	2.8
115.05481	1.2
117.06981	1.6
119.04984	4.2
121.02856	3.5
121.06501	3.0
122.03628	1.2
123.04416	2.9
125.05994	5.2
127.03904	3.1
128.06239	0.9
129.06992	2.5
131.04916	7.4
133.02824	4.6
133.06465	1.9
135.04407	2.7
135.08058	2.2
137.05977	22.4
138.06296	1.5
145.06511	2.6
147.04387	7.3
147.08109	1.1
148.05211	1.3
149.05977	3.2
151.03937	6.5
151.07556	6.1
152.04305	1.2
153.05463	11.4
157.06563	2.0
159.08026	2.1
161.05989	5.9
161.09636	2.0
163.03889	6.3
163.07536	10.4
165.05486	1.9
165.09146	1.6
167.07033	24.2
169.06528	1.2
173.05971	1.1
174.06743	2.4
175.07556	4.1
177.05472	3.8
177.09157	4.1
179.07010	5.3
179.08368	1.2
181.04939	11.1
181.06375	1.5
181.08542	4.9
182.05292	1.3
184.32149	0.8
187.07533	2.1
189.09099	7.4
191.07016	9.1
191.08514	1.3
192.07404	2.1
193.08585	3.2
195.06479	1.2
195.07977	1.7
195.10165	3.4
197.06100	1.2
197.09627	1.0
201.09207	1.0
205.08478	1.8
207.08073	1.9
207.10030	1.5
209.07974	2.1
210.06808	1.8
211.07568	1.4
217.08588	1.1
219.08017	2.2
219.10184	3.2
220.08798	1.3
221.05974	1.8
221.09605	2.8
222.06746	1.0
222.10408	1.3
223.07489	2.4
224.08302	2.0
225.09079	2.9
227.10669	1.1
232.02927	0.9
235.07545	1.8
237.09084	3.0
238.06203	1.2
238.09915	3.2
239.07034	2.3
239.10654	1.2
240.07802	4.6
241.08611	1.1
247.07596	2.1
249.09071	3.9
250.09840	1.3
251.07022	2.1
251.10742	1.4
252.07838	2.4
253.08614	11.1
253.12212	3.8
254.09406	2.0
255.06413	1.0
255.10167	3.4
256.11096	1.1
257.08084	2.9
257.11636	0.9
263.07050	0.9
265.08542	3.2
266.09311	3.8
267.06793	1.1
267.10126	4.1
268.07379	1.3
269.08078	3.1
270.08752	1.5
277.08572	2.5
279.10141	2.2
280.07199	1.0
281.08154	2.9
281.11749	5.7
282.08710	1.4
283.09625	9.4
284.10355	1.9
285.11288	1.9
285.14484	0.9
293.11584	1.2
294.08957	0.9
295.09595	3.7
296.10532	1.1
297.07819	0.9
297.11285	2.0
298.08347	2.5
298.11740	1.7
299.12720	2.9
300.09894	7.0
307.09634	1.2
308.10349	1.4
309.11176	5.8
310.11945	2.1
311.12701	3.2
313.06937	1.6
313.10645	28.6
313.14310	19.9
314.11301	1.4
315.12088	2.2
321.11551	1.1
323.12491	1.5
325.10620	1.9
326.11417	3.9
327.12311	18.4
328.12875	1.5
329.13620	1.6
331.15326	6.4
339.12262	8.6
341.13809	16.1
343.15173	2.6
345.16949	1.5
351.12354	1.0
353.13864	2.0
355.15576	4.4
357.13110	2.9
359.14874	100.0
360.15121	3.4
361.16455	9.6
367.15390	2.6
371.14908	20.1
372.15427	1.2
373.16550	4.7
375.18085	1.3
385.16440	3.1
387.14185	1.1
388.14484	1.7
389.15314	3.5
397.16458	1.4
401.16040	0.9
509.21823	4.3
521.21320	5.8
533.20801	1.0
587.96429	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
55.05506	0.4
65.03938	5.1
67.05494	1.2
69.03416	0.6
69.12402	2.2
73.32500	0.4
79.05492	1.0
81.03423	0.9
81.07044	0.5
82.04182	0.9
82.25916	0.3
85.02908	1.7
91.05478	2.7
93.03387	3.6
93.07054	0.9
95.01346	0.4
95.04962	1.6
97.02888	1.0
99.04440	0.4
100.11269	0.7
103.05469	1.1
105.04524	0.4
105.07044	1.0
107.04970	3.4
109.02894	0.6
109.06519	0.7
110.03663	4.2
111.04443	5.7
115.05431	0.7
119.04948	1.9
121.02868	4.5
121.06505	2.1
121.10175	0.4
122.03674	0.7
122.20933	0.4
123.04412	1.5
125.05986	7.9
129.06993	1.8
131.04959	2.8
131.08604	0.4
133.02834	3.9
133.06479	0.9
135.04448	0.9
135.08054	0.6
137.05975	9.0
138.03146	0.5
138.06287	0.5
139.03938	0.5
144.05615	0.4
145.06487	1.2
147.04407	3.7
147.08058	0.6
149.02315	1.1
149.05956	1.6
151.03931	2.5
151.04964	0.6
151.07539	3.3
152.06252	0.4
152.31024	0.4
153.04214	0.9
153.05463	17.2
154.05780	0.6
157.06483	1.8
159.08084	1.0
161.05959	3.0
161.09639	0.9
162.06761	0.9
163.03911	2.1
163.07512	2.8
165.05461	1.9
165.06940	0.8
165.09010	0.4
167.07057	6.0
173.06046	0.5
174.02425	0.4
174.06789	0.7
175.07558	2.0
176.04820	0.4
177.05489	1.5
177.09087	0.6
178.06125	0.4
178.07726	0.6
179.07036	1.4
179.08478	0.6
181.04970	2.3
181.06413	0.8
181.08588	1.5
182.07324	0.9
182.15503	0.4
183.08018	0.6
187.07542	1.7
188.08385	0.6
189.05501	0.6
189.09119	2.9
191.07072	4.3
191.08687	0.6
193.06442	0.5
193.08594	1.8
193.10246	0.7
195.06499	0.5
195.08095	1.8
196.08769	0.4
197.05849	0.4
197.09633	0.7
201.09102	0.6
203.07021	0.5
205.08571	0.8
206.07281	1.0
207.08138	0.9
207.10133	0.6
208.08707	0.5
209.06117	0.7
209.08113	1.5
210.06740	1.9
210.08501	0.4
210.14961	0.5
211.07553	1.4
212.08344	1.1
213.09117	0.6
217.08551	1.4
219.08170	0.9
219.10178	2.6
220.08862	0.5
221.05977	1.2
221.09738	2.1
222.06880	0.8
222.10362	1.0
223.07607	2.9
223.11191	0.7
224.08331	1.3
225.05615	0.6
225.09093	2.6
226.06241	0.6
227.07014	1.2
227.10686	0.9
229.08607	0.6
234.06758	1.2
235.07616	1.2
236.08142	0.7
237.09134	3.2
238.06203	1.6
238.09872	2.0
239.06944	1.8
239.10675	1.4
239.43205	0.4
240.07825	4.8
241.08559	1.2
247.09715	0.5
248.08205	0.6
249.05502	0.7
249.09045	2.4
249.11327	2.1
250.06142	0.4
250.09801	0.4
251.06955	2.0
251.10741	0.8
252.07773	2.2
253.08603	11.9
253.12233	4.8
254.09306	1.6
254.12840	0.4
255.06590	1.2
255.10153	2.8
257.08121	1.4
257.11374	0.6
261.09097	0.5
263.07031	1.0
263.10788	0.6
264.07864	0.6
265.08585	1.6
266.05771	0.7
266.09335	1.6
267.06519	0.8
267.10196	2.9
268.07312	1.5
269.08115	2.1
269.11853	0.5
270.08850	1.9
270.12332	0.5
271.09650	0.6
271.13220	0.6
272.10458	0.5
277.08533	2.2
278.09167	0.9
279.06186	0.4
279.10239	0.9
280.10712	0.5
281.08115	3.9
281.11713	5.0
282.08917	1.5
283.09659	5.2
283.12872	0.7
284.10294	2.1
285.07983	0.7
285.11203	2.9
285.14822	1.4
287.05383	0.5
293.08060	0.7
293.11685	0.7
294.08875	0.7
295.09756	3.4
295.13028	0.6
296.10388	1.2
297.07928	0.6
297.11182	1.5
298.08603	0.7
298.12015	1.7
299.09351	0.7
299.12720	5.1
300.09854	1.8
303.16086	0.5
306.09052	0.4
307.09808	0.5
308.10223	0.4
309.11191	6.2
310.12036	3.0
311.09268	0.6
311.12717	1.6
313.10657	9.5
313.14355	4.3
315.12186	0.6
321.11240	0.8
325.10672	1.3
326.11279	0.9
327.12259	21.4
328.12839	1.8
328.59387	0.4
329.13733	2.7
331.11835	0.6
331.15457	3.5
339.12183	2.8
340.12564	0.6
341.13785	4.5
343.15344	1.4
345.16870	0.8
353.13971	0.6
355.15387	0.7
357.13229	2.4
358.13696	0.6
359.14871	100.0
360.15237	3.2
361.16443	2.8
367.15738	0.5
371.14890	10.6
373.16339	0.6
389.15900	7.5
397.16263	0.7
401.00620	0.4
491.20392	0.8
509.21301	2.5
521.20099	0.5
573.60016	0.4
704.49744	0.4
749.66681	0.4
765.57721	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72653	0.5
67.05495	1.0
69.14803	3.3
69.36526	0.6
71.04984	0.8
79.05480	1.4
81.03422	1.0
81.07048	2.9
83.05010	0.6
85.02924	0.6
91.05492	2.1
93.07051	1.8
95.04976	0.7
97.06510	1.1
99.04461	0.7
101.72734	0.7
103.05454	0.6
105.07022	1.0
107.04955	1.5
107.08590	1.3
109.10167	0.6
109.87491	0.6
111.08067	0.7
119.08604	0.9
121.10145	0.7
125.05996	0.7
127.03909	1.4
131.04926	1.1
135.11700	0.9
137.05974	2.5
137.09579	0.6
138.02876	1.2
138.06438	0.7
139.63208	0.7
144.01842	1.7
145.02658	1.8
147.04393	1.2
149.05995	0.7
151.03920	1.4
151.07570	0.8
153.05492	1.5
153.12781	0.9
161.05977	1.0
163.03743	4.6
163.07527	0.7
163.11201	0.7
167.07068	1.1
171.00574	2.0
173.06050	1.0
175.11041	0.7
177.05621	0.7
177.09097	0.7
179.07019	1.0
183.02716	1.9
185.04247	1.6
189.09218	0.7
197.08156	1.8
199.03937	0.8
201.03769	0.9
213.05411	0.8
217.05049	1.1
225.05612	0.8
255.04843	2.2
256.24268	0.6
264.68845	0.6
271.06100	2.1
272.06348	2.4
273.06885	0.9
323.07291	0.7
331.15665	0.6
337.14319	1.7
338.14713	1.7
345.09659	1.0
349.05228	3.4
350.06113	2.5
351.06815	2.5
352.07877	0.7
353.08508	0.8
355.15680	2.1
356.15753	2.4
365.08597	1.1
373.16476	1.1
381.07913	36.0
382.08539	2.1
383.09445	14.6
384.10233	0.8
419.09570	2.5
421.11435	1.9
451.12125	3.8
453.13669	2.1
503.18912	1.3
535.21527	12.8
605.25647	2.2
613.17358	24.5
614.18176	1.1
615.18536	2.9
707.34723	1.0
767.30835	100.0
768.31311	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	769.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73114	0.4
67.05491	0.4
69.03439	0.7
69.16914	1.3
69.17329	0.7
70.06599	1.6
79.05511	0.5
81.03407	0.7
84.24194	0.4
85.02930	0.7
91.05479	0.5
93.07090	0.4
95.05010	1.2
97.02914	0.7
103.05449	0.7
107.04993	1.3
111.04504	0.4
116.07135	0.4
117.03443	0.5
119.04910	0.3
119.20172	0.3
121.06558	0.5
125.07142	0.8
131.04987	0.7
133.06554	0.4
135.04451	1.5
136.04782	0.4
137.05994	4.4
138.06325	1.0
144.08118	0.6
145.02899	1.2
147.04466	0.8
149.06004	1.0
151.03923	1.0
151.07596	0.6
152.04314	0.3
153.05476	0.4
157.06583	0.5
159.08093	0.5
161.06021	0.9
162.06467	0.4
163.03903	10.4
163.07500	0.4
164.04262	2.4
165.05502	1.3
167.07056	7.1
168.07378	2.6
175.03726	0.9
175.07536	0.6
181.04980	0.9
181.08736	0.4
185.04237	0.9
187.07474	0.5
193.08630	0.4
194.09087	0.4
204.04068	0.8
209.08185	0.4
211.07623	0.4
211.09624	0.9
213.12390	0.5
217.08778	0.5
219.10251	1.1
220.10544	0.6
253.08733	0.6
294.09418	0.4
309.09888	0.4
314.14548	0.5
325.09219	0.4
328.12665	0.4
337.09055	1.2
342.14279	0.4
354.68781	0.4
359.14899	0.9
360.15259	1.0
361.15561	0.8
362.15955	0.4
370.26181	0.4
372.15424	0.5
392.12479	0.4
395.11191	1.4
409.12552	0.8
410.13327	2.8
419.13235	0.6
484.76227	0.4
519.19128	0.5
525.17993	0.5
543.18536	1.7
553.16919	1.1
555.17993	0.5
557.16260	2.2
571.17908	3.1
572.18549	2.6
573.19171	0.5
579.86768	0.4
607.21155	0.8
720.72748	0.4
727.46979	0.4
769.26691	100.0
770.26874	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	770.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.3
61.88980	0.9
69.03423	1.2
69.67295	3.9
71.01329	1.9
79.05490	1.7
81.03415	1.0
81.07057	13.8
83.04987	2.0
85.02896	3.7
90.77879	1.2
91.05463	1.5
93.07051	1.5
95.08614	4.1
97.02902	2.7
98.22691	2.1
105.07027	3.7
107.04955	1.1
107.08518	1.2
109.06516	40.6
121.06532	1.7
123.08059	6.1
133.06493	9.6
137.05989	13.6
151.07535	30.0
161.05957	7.6
167.07062	1.2
179.07031	88.5
180.07410	1.6
196.20151	1.0
197.08098	38.7
215.09151	100.0
231.48428	1.0
341.12308	6.5
359.13354	7.5
377.14429	1.5
394.17383	1.3
411.65598	1.2
425.54910	1.1
538.67499	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
65.03927	2.5
67.05500	1.9
69.03426	1.8
70.06575	2.1
70.13751	3.0
70.95152	1.1
79.05488	3.8
81.03403	2.8
81.07064	2.8
82.66964	1.2
83.04957	1.2
85.02896	2.8
85.06545	2.9
89.03912	1.3
91.05482	18.9
93.03388	2.0
93.07054	4.8
94.04199	3.1
95.04972	9.9
95.08643	1.3
97.02901	1.5
97.06511	1.9
103.05459	9.8
105.04478	1.4
105.07027	7.7
107.04960	15.9
107.08572	3.4
109.02874	2.0
109.06520	3.3
115.05450	4.3
117.07031	3.6
118.04202	1.5
119.04935	17.1
119.08602	1.8
121.02819	1.5
121.06518	11.1
122.03637	4.6
123.04427	2.9
127.03891	2.3
128.06142	1.9
129.07004	7.6
131.03392	1.3
131.04930	15.5
131.08586	3.8
133.02835	14.9
133.06439	6.4
134.03592	1.6
135.04422	5.5
135.08069	4.0
137.05975	100.0
138.06310	2.1
142.00427	1.3
144.05652	3.4
145.02850	2.4
145.06482	5.5
146.03598	2.5
146.07285	3.2
147.04413	15.4
147.08051	1.9
148.05202	2.2
149.05965	15.0
150.06676	1.6
151.03891	9.5
151.07538	27.4
153.05479	4.4
153.06947	1.4
157.06511	6.8
159.08072	4.5
160.05212	2.3
161.05980	61.2
161.09612	10.3
162.06702	5.5
163.03900	10.3
163.07544	17.3
165.05475	6.3
165.07010	3.2
165.09088	3.3
167.07068	6.6
167.08453	2.0
167.10847	1.4
169.06464	1.5
174.06792	5.2
175.07532	26.1
177.05458	5.6
177.09103	4.4
178.07736	1.4
179.07042	7.6
179.08459	2.4
180.07492	1.7
181.04974	2.6
181.06502	3.1
182.07159	3.1
183.08026	2.5
185.06035	2.3
187.07527	13.3
189.09100	29.8
189.16339	1.2
190.07707	2.1
191.07004	3.3
191.08582	4.1
193.06555	3.2
193.08539	3.6
193.10118	2.1
194.07280	2.9
195.08057	5.5
195.10123	3.0
197.08037	1.6
197.09653	2.5
198.06761	1.7
199.07571	3.5
201.09145	5.0
203.06949	2.9
203.10625	1.6
205.06531	1.6
205.08467	2.2
205.10207	1.3
206.07227	2.3
207.08087	4.1
207.10110	21.6
208.08812	1.8
209.06049	1.7
209.07930	1.8
209.09714	2.4
210.06805	3.3
211.07545	4.5
212.08369	1.6
213.09125	5.2
213.12340	1.3
217.08551	4.4
218.07230	1.4
219.08063	6.9
219.10185	16.6
221.05959	5.7
221.09662	3.0
222.06819	3.2
223.07561	4.7
223.11212	2.6
224.08325	2.1
225.05385	1.7
225.09038	9.3
227.07045	2.9
227.10654	3.7
231.08134	1.8
233.09535	2.1
235.07527	7.2
236.08337	4.1
237.09103	7.5
238.06259	2.9
239.06981	5.0
239.10681	1.5
240.07755	2.8
241.08611	1.7
243.10214	5.3
247.07500	4.7
248.08348	3.5
249.05531	1.5
249.09149	5.4
250.06184	1.6
251.07068	5.3
251.10678	4.5
252.07848	1.4
253.08612	14.2
253.12180	2.2
254.09381	1.4
255.06534	4.4
255.10165	4.2
257.11786	1.7
261.09204	4.1
262.09677	1.5
263.07047	2.7
263.10663	1.7
264.07837	3.9
265.08557	13.0
266.09360	2.1
267.10196	6.1
268.07434	2.7
268.10873	1.3
269.08203	3.6
269.11758	2.3
270.08871	5.2
271.09601	3.4
273.11246	4.9
275.10587	2.1
277.08612	7.4
277.12054	2.5
278.09137	2.2
279.10095	11.8
280.10840	2.4
281.07962	3.6
281.11777	3.6
283.09686	13.4
283.13297	4.1
285.11218	10.2
287.05438	1.3
287.12985	2.3
289.08838	1.6
290.09305	2.5
291.10184	4.9
293.11691	3.0
294.08646	2.0
295.09738	3.0
296.10483	4.5
297.11209	22.6
298.11627	1.5
299.12830	3.9
301.14313	1.4
305.11777	3.3
307.09653	4.4
307.13089	1.6
308.10300	2.0
309.11206	14.6
310.11789	4.2
311.12708	12.4
313.10965	1.5
313.14362	2.9
315.12488	7.4
321.11160	5.2
322.11948	3.7
323.12723	6.6
325.10892	1.7
327.12314	13.6
329.13831	34.8
330.14337	2.0
331.15329	2.8
335.12747	3.9
337.14346	6.2
339.12314	6.5
340.13062	3.7
341.13889	13.3
343.15344	3.3
349.14371	3.5
351.12421	1.4
353.13705	2.2
354.14493	2.0
355.15390	23.9
365.13501	1.6
367.15393	19.5
379.15280	4.7
385.16446	2.3
397.16537	27.4
398.16760	2.0
415.17188	3.6
434.98544	1.3
445.16400	3.6
446.17371	1.4
452.04834	1.2
457.16537	1.7
459.17899	4.3
469.16602	1.9
471.18216	1.9
475.17322	2.3
477.19092	6.5
489.19348	5.9
501.18982	2.0
503.20840	2.1
507.20056	7.5
515.20276	1.4
519.20032	2.6
533.22144	1.8
537.21185	2.1
609.24426	2.9
639.25848	3.0
657.26410	4.3
669.26788	3.0
687.27899	2.1
770.26361	1.5
771.29291	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.0
57.02195	1.5
57.03439	17.4
59.04996	4.7
61.02924	6.1
69.03428	53.4
69.07068	24.4
70.03714	1.6
71.01346	1.8
71.17615	2.5
73.02909	15.8
79.05506	9.3
81.03407	7.0
81.07046	5.1
83.08562	1.8
85.02901	75.8
85.06532	1.9
87.04462	43.9
91.03952	5.5
91.05479	1.9
93.07047	6.4
95.04980	12.4
97.02895	66.8
97.06536	2.1
98.97559	2.1
99.04459	4.1
102.82378	1.7
103.03930	3.2
103.05466	3.1
107.04951	56.1
107.08604	2.0
108.05275	2.2
109.02852	8.0
109.06548	3.8
111.08086	15.6
115.03925	97.6
121.06503	4.1
123.04430	5.7
123.08021	2.3
125.02350	7.1
127.03914	19.0
129.09126	1.8
133.04967	90.0
135.08005	2.4
137.09654	3.1
145.04961	33.2
147.00499	1.9
147.08049	2.7
149.06007	7.9
150.07625	12.9
151.03899	53.7
153.05432	5.2
153.09096	4.8
163.05995	23.1
165.01662	3.4
165.09113	3.5
169.05028	2.0
177.05525	10.2
183.10170	4.6
185.04190	2.2
189.11264	3.1
195.06546	21.2
195.10136	3.1
201.11206	13.7
203.05246	2.3
213.07571	60.8
213.11209	4.7
217.04691	2.1
219.12239	18.0
223.06064	2.4
231.12190	10.5
235.05719	21.0
236.06155	9.8
241.07045	7.7
255.08385	4.6
259.08078	28.5
277.09146	6.3
295.10208	46.1
313.11511	1.9
329.97449	2.0
397.11044	100.0
398.11404	99.9
398.19162	8.0
399.11600	5.4
419.12256	4.1
435.16019	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79999	0.5
54.87432	0.5
55.01863	0.9
59.23792	0.5
62.45558	0.5
65.03938	1.4
66.04715	0.6
67.05488	1.1
69.03410	0.7
70.87624	0.4
71.45704	0.6
77.03899	0.6
79.05495	2.9
81.03398	1.1
81.07052	1.2
85.02888	1.1
88.89919	0.4
89.03913	0.5
91.05485	7.5
93.03415	0.6
93.07040	2.2
94.04222	2.5
95.04958	3.5
95.08631	0.6
97.02946	0.6
103.05479	4.8
105.07020	2.6
107.04961	3.1
107.08589	0.8
109.06518	1.6
110.03650	0.6
111.04436	1.7
115.05470	2.7
116.05709	0.5
117.03367	0.5
117.07014	1.5
118.04189	0.5
119.04955	4.8
119.08618	1.0
120.35923	0.5
121.06501	3.4
122.03635	5.4
123.04460	1.0
125.05996	2.0
127.07539	0.8
128.06212	0.7
129.07011	1.2
131.04922	9.7
131.08580	1.0
133.02872	3.4
133.06488	3.4
135.04396	2.4
135.08040	2.8
137.05978	100.0
137.09569	1.7
138.06261	0.8
143.04918	1.6
143.08553	0.7
145.02754	0.8
145.06485	2.1
146.03639	0.7
147.04401	4.2
147.08070	0.9
149.05969	4.1
151.03896	2.0
151.07535	16.4
153.05486	6.7
153.09138	1.4
157.06499	1.2
159.08055	1.4
160.05238	1.9
161.05978	10.9
162.06728	1.0
163.03928	4.8
163.07536	16.3
164.04271	0.8
165.05481	2.9
165.07019	1.6
165.09102	0.8
167.07054	3.7
167.08426	1.0
169.06471	0.6
171.08011	1.3
174.06728	1.4
175.07532	12.8
177.05496	1.5
177.09119	0.8
179.07008	1.8
179.08488	0.5
181.06508	1.1
181.08574	7.5
182.07138	0.5
183.06522	0.6
187.07520	3.6
189.07323	0.8
189.09068	3.6
191.07051	0.9
193.06450	1.1
194.07294	1.3
195.08035	2.1
197.08061	1.9
197.09650	0.6
198.06775	1.1
199.07623	0.9
199.09605	0.5
201.09074	2.4
203.07013	2.7
203.08792	0.7
203.10715	1.9
205.06458	2.0
206.07312	0.8
207.08087	1.1
208.08911	0.7
209.09702	0.9
211.07631	1.4
213.09091	2.6
215.07100	0.8
218.07246	0.8
219.08069	1.2
219.10159	1.4
221.06013	1.7
221.07941	0.8
222.06729	1.8
223.07565	1.0
224.08345	1.0
225.09108	2.0
226.06172	0.8
227.10748	2.6
231.07977	0.8
233.05928	1.5
233.09616	1.0
234.06775	2.5
235.07556	1.9
236.08136	0.6
237.09094	5.0
238.06223	1.3
239.07059	1.4
239.10619	0.8
240.07722	1.0
241.08592	1.4
247.07487	1.1
248.08403	0.7
249.09116	3.9
250.06296	1.2
251.07001	1.2
251.10664	1.0
253.08571	3.5
255.10252	0.8
256.07394	0.7
257.11798	0.9
261.09113	2.5
262.06207	1.0
263.06937	0.7
263.10693	0.9
265.08600	10.6
266.09302	1.6
267.06674	0.5
267.10147	2.2
268.07330	1.5
271.05994	1.3
271.09595	1.3
273.11340	1.5
277.08560	9.4
278.09311	1.0
279.10193	1.9
281.11725	1.1
282.08893	1.3
283.09622	4.7
283.12668	0.8
284.10342	0.7
285.11203	3.4
287.05518	0.9
287.12808	3.2
291.10260	0.7
293.11655	1.4
294.08823	1.3
295.09689	2.5
295.13031	0.9
296.10367	0.8
297.07855	1.2
297.11206	18.5
298.11658	0.6
299.09186	2.8
299.12784	1.7
303.09756	0.8
307.13391	0.6
309.11182	9.9
310.11957	1.3
311.12701	5.0
313.10693	1.4
315.12201	1.0
321.11209	2.0
323.12845	1.0
325.13257	1.2
327.12280	9.0
327.15805	0.5
329.10162	0.7
329.13971	1.4
331.11777	4.1
335.12659	1.0
337.14178	0.9
339.12308	1.9
343.14087	1.4
349.14383	1.2
351.15884	4.0
351.85925	0.6
357.13272	0.9
361.13052	0.6
363.15863	1.5
367.15298	1.0
369.16922	1.9
381.16815	1.4
473.19431	1.5
475.21512	2.7
485.19547	0.7
487.21170	1.2
491.20395	0.9
493.22134	2.8
503.20636	1.9
505.22232	1.4
511.21259	1.0
517.22150	1.1
521.21991	1.3
529.21942	1.2
541.22076	0.6
635.26550	0.7
641.27643	0.7
653.26971	1.0
671.27795	1.0
689.29260	1.2
695.05005	0.5
772.27734	3.4
773.28986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96289	1.7
56.96561	25.9
60.04515	1.6
69.25016	8.1
74.97575	1.6
84.96019	6.3
95.27740	1.2
98.97579	76.2
100.99091	1.8
107.08609	1.4
110.97552	21.9
112.99124	20.7
116.98637	26.4
124.99102	4.7
128.98601	20.7
131.00169	37.1
134.99648	6.0
140.00136	2.4
140.98601	5.7
143.00156	15.6
143.40714	1.2
144.98085	2.1
146.99646	9.6
149.01222	35.8
149.58113	1.3
152.00130	1.6
152.98587	4.6
154.01740	3.2
155.00226	2.5
157.01698	1.5
158.99654	35.1
161.01242	10.8
167.02269	6.0
170.98257	3.0
170.99648	41.7
172.02867	2.9
173.01262	7.3
175.02725	2.2
177.00717	28.9
182.99727	3.1
185.01266	9.8
189.00700	38.0
189.02457	1.9
191.02261	10.1
194.99678	3.4
195.01711	3.0
199.02702	8.1
200.02295	3.5
201.00699	11.1
203.02275	9.6
207.01794	2.5
209.01254	2.4
212.02345	6.3
213.00713	5.8
215.02295	3.7
217.03773	7.7
219.01758	22.2
223.07091	1.5
227.02271	3.3
231.01759	5.2
233.03276	5.0
237.02881	10.9
242.03377	2.0
249.02769	1.5
261.02817	23.2
270.20352	1.6
275.04376	9.8
279.03845	21.1
282.27902	3.8
291.03796	5.9
293.05405	46.8
297.04950	7.9
300.28986	3.9
302.05508	3.1
309.04852	5.7
311.06458	14.2
315.03448	1.6
316.06995	3.3
317.17838	34.1
321.04901	100.0
334.08124	4.1
335.19067	10.4
339.05829	5.3
358.20422	2.8
362.07565	8.0
381.07080	7.0
399.07983	1.6
423.23703	1.6
437.09644	28.6
455.10751	45.9
477.09109	1.5
537.30670	1.7
539.25116	6.5
553.26355	9.8
643.01184	1.7
699.35486	2.1
709.23328	1.4
715.32001	61.2
716.32330	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	776.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.1
55.05501	1.3
57.03413	0.7
61.02920	1.0
61.58423	0.7
62.95306	0.7
64.38779	0.7
65.03928	1.2
67.05505	3.5
69.03434	4.5
69.22757	4.2
71.01350	2.8
71.04989	1.6
74.01738	0.8
77.03935	2.1
79.05491	9.4
81.03416	4.3
81.07054	2.4
83.01340	4.7
85.02886	6.4
91.05476	12.0
93.07019	1.7
95.04964	17.3
95.08622	0.7
95.09406	0.6
97.02901	3.7
99.04473	1.1
103.03954	1.6
103.05467	4.7
105.03418	4.0
105.04512	1.4
105.07020	7.3
107.04952	10.6
109.02888	3.2
109.06531	3.6
111.04451	1.6
115.05431	6.4
116.06257	2.0
117.07043	5.4
119.04939	3.9
119.08588	3.7
121.02856	1.9
121.06516	2.4
122.03645	1.1
123.04433	5.0
125.02339	0.9
127.03928	1.7
128.06213	10.1
129.03415	1.5
129.07002	23.3
129.07968	1.2
130.07761	2.2
131.04913	4.6
131.08563	5.5
133.02817	5.5
133.06477	10.4
134.34042	0.7
135.04427	7.3
137.06006	4.3
139.03896	6.6
139.05486	1.2
141.06981	9.6
142.07780	1.3
143.04921	2.0
143.06042	0.7
143.08543	6.3
144.05675	7.2
145.05386	1.0
145.06480	5.6
145.10112	0.8
147.04413	3.3
147.08046	8.0
148.14674	0.8
149.02359	3.1
149.05998	2.8
151.03902	16.1
151.07527	0.7
152.06213	2.6
153.05540	2.1
153.06960	12.7
154.07779	2.8
155.04918	1.2
155.06050	2.0
155.08533	6.4
157.02805	1.1
157.05222	0.5
157.06477	14.9
157.10190	2.5
158.07310	2.8
159.04411	7.7
159.08037	3.5
161.02238	0.8
161.05984	4.9
163.03906	2.6
165.05496	100.0
165.06970	14.3
166.05797	1.6
166.07800	9.2
167.03418	3.1
167.07066	8.0
167.08591	7.8
168.05721	2.2
168.09392	1.1
169.06462	4.0
169.10204	2.3
170.07312	0.9
171.04396	1.6
171.08055	7.4
173.02386	1.7
173.05960	4.1
175.04019	3.3
175.07564	7.8
175.10295	0.7
176.04701	4.0
177.05508	1.6
177.06947	0.9
178.07774	4.4
179.07126	1.4
179.08604	5.7
180.05887	0.8
180.09370	1.9
181.04958	6.6
181.06512	13.8
181.10072	13.1
182.07288	3.2
183.04466	1.1
183.06496	1.1
183.08063	8.1
183.11711	0.8
184.05260	1.6
185.02466	1.0
185.05957	17.5
185.09579	4.0
186.03221	0.7
186.06779	2.1
187.03940	2.3
187.07545	3.8
189.05479	15.7
189.07021	1.4
189.09164	0.7
190.07813	5.3
191.03505	0.8
191.06999	1.5
191.08522	9.2
192.09299	1.7
193.06552	2.1
193.10207	2.8
194.07283	5.3
195.04448	1.1
195.08102	5.5
195.11681	1.0
197.05974	4.4
197.09634	2.7
198.06754	0.9
199.07553	10.9
199.11211	2.4
200.08336	0.9
201.01877	1.7
201.05455	3.8
201.09164	1.7
202.07777	2.5
203.03413	4.5
203.07056	22.3
203.08607	3.8
204.09349	1.2
205.04962	1.2
205.10136	9.3
207.08141	4.2
208.08794	3.4
209.06003	12.5
209.09583	11.5
210.06721	2.1
211.07527	7.5
211.11026	1.3
213.05461	19.1
213.09012	4.7
214.06213	1.8
215.06960	2.3
215.08647	6.4
216.09338	1.7
217.04941	11.2
217.08250	3.4
217.10356	1.3
218.05534	1.1
218.07393	4.2
219.02992	0.7
219.06288	1.1
219.08203	4.5
221.06126	1.7
221.07921	1.5
221.09799	1.8
222.06755	1.1
222.10223	0.8
223.07582	2.7
223.11092	5.8
225.05482	2.1
225.09186	2.2
227.07016	15.1
227.10492	5.1
228.07637	1.5
229.04964	3.0
229.08565	1.7
231.02899	1.0
231.06479	2.0
233.09625	12.3
235.07510	3.2
235.09567	17.0
236.08266	2.0
237.05540	10.8
237.09100	12.1
238.06219	1.2
239.07060	4.9
239.10732	1.5
241.05109	0.8
241.08636	3.2
243.08046	2.3
243.10223	1.0
245.04372	8.1
245.07899	9.0
246.05219	2.1
247.07623	1.6
249.09251	1.0
251.07011	1.1
251.10707	9.0
253.05003	2.6
253.08591	3.0
255.06557	26.7
255.10182	10.4
256.06931	1.5
257.08112	1.7
259.09702	1.1
260.08322	1.2
261.09134	12.2
262.09845	0.9
263.06934	1.8
264.07669	1.2
265.05063	5.0
265.08640	17.5
267.06583	1.6
267.10156	1.8
269.08139	6.1
269.11731	3.0
271.09900	0.8
273.07465	4.2
277.07016	2.0
279.06931	1.1
279.10141	15.9
280.07306	0.7
281.04498	1.0
281.08075	2.1
283.06067	12.7
283.09686	18.4
284.09741	1.1
285.07706	1.3
287.09192	18.3
287.12396	1.1
289.08496	7.0
289.11340	1.2
291.10223	0.9
293.11774	1.8
295.09769	1.1
297.07690	3.9
297.11279	10.9
298.08417	1.6
301.07065	3.4
301.10507	1.5
303.08890	1.2
307.09680	13.0
311.12778	2.2
313.07181	0.9
313.10754	1.9
315.08630	18.3
315.12308	38.3
316.12659	1.0
317.08176	3.0
321.11130	2.4
325.10648	8.7
329.10089	1.3
333.09689	2.9
335.09024	9.5
339.12231	8.6
347.11249	31.7
348.11615	1.4
349.10693	5.0
353.10217	12.7
357.13501	4.6
367.11746	43.1
371.11105	2.9
371.15198	2.2
381.13263	1.9
385.12817	30.9
399.14349	12.4
403.13855	6.0
417.15460	5.3
477.17581	3.5
509.16476	2.5
547.17950	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.4
55.05511	1.1
65.03947	1.2
67.05495	3.5
69.03432	5.7
69.22585	1.8
69.23000	4.1
71.01342	2.4
71.04993	1.1
77.03933	2.3
79.05487	7.0
81.03401	5.6
81.07058	1.7
83.01347	3.8
85.02892	5.9
89.02647	1.1
91.05470	10.6
93.07048	2.1
93.98937	1.0
95.04963	13.5
97.02892	4.2
99.04447	1.3
103.03947	1.2
103.05477	3.5
105.03407	2.6
105.04510	1.6
105.07040	8.0
107.04950	11.5
109.02888	4.2
109.06522	2.8
111.04414	1.3
115.05463	5.7
116.06259	0.9
117.07027	6.4
119.04973	3.6
119.08592	4.5
121.02853	2.4
121.06512	3.7
123.04432	6.2
125.02353	2.4
127.03922	2.9
127.05402	1.2
127.32082	0.9
128.06197	9.5
129.06992	17.4
131.04948	4.3
131.08595	4.4
132.05704	1.2
132.59645	0.9
133.02837	5.3
133.06483	10.0
135.04433	6.1
137.06000	3.5
139.03891	5.9
141.07005	7.1
142.07802	2.7
143.04962	1.5
143.08562	6.6
144.05692	7.3
145.04984	1.7
145.06491	6.4
147.04408	3.6
147.08061	6.0
149.02386	3.2
149.05977	2.2
151.03914	15.5
152.06207	2.9
153.05629	2.2
153.06979	12.7
154.07733	2.2
155.04880	1.9
155.06003	1.4
155.08568	6.2
157.02803	1.1
157.06470	12.9
157.10106	2.3
158.07333	1.2
159.04373	7.0
159.08080	3.5
161.05972	2.1
163.03894	6.1
164.04254	2.3
165.05493	100.0
165.06961	13.0
166.05820	1.8
166.07765	8.9
167.03392	2.6
167.07062	7.2
167.08560	6.4
169.06424	5.2
169.10114	1.5
171.04468	1.4
171.08029	7.5
173.05945	2.2
175.03938	3.0
175.07564	6.3
176.04713	2.9
177.05553	2.1
178.07779	4.1
179.07094	1.4
179.08487	7.5
180.09343	1.6
180.91203	0.9
181.04956	5.4
181.06502	13.3
181.10059	9.2
182.07291	2.6
183.04427	3.0
183.06622	2.4
183.08076	5.9
184.05200	1.4
185.05969	15.4
185.09653	2.8
186.06714	1.5
187.03889	1.9
187.07565	3.8
189.05475	14.0
189.07022	2.3
190.07739	6.4
191.06990	2.5
191.08595	7.4
192.09340	2.2
193.06474	2.0
193.10156	3.1
194.07315	4.5
195.06490	1.5
195.08078	4.3
195.11687	1.7
197.05994	3.0
197.09604	2.7
199.07552	7.8
199.11220	2.1
201.01797	2.3
201.05402	4.9
202.07816	2.1
203.03410	3.3
203.06989	19.3
203.08626	3.0
204.09300	1.2
205.04828	1.4
205.10098	8.5
207.08107	2.8
208.08888	1.9
209.06003	12.8
209.09604	9.6
210.06686	1.9
211.07512	7.6
213.05463	16.0
213.09145	3.8
215.06937	2.4
215.08607	5.3
217.04991	7.8
217.08578	3.7
218.07315	3.1
219.08078	3.7
221.06049	1.7
221.07825	1.6
221.09723	2.4
223.07635	2.4
223.11180	3.1
225.05490	2.4
225.09126	2.3
226.06093	1.7
227.07027	12.1
227.10683	3.8
228.07700	1.6
229.05025	2.9
229.08553	1.7
231.06386	2.2
232.08871	1.9
233.09645	10.2
235.07549	1.8
235.09596	19.8
236.08328	1.2
237.05530	8.5
237.09091	11.8
238.06247	1.7
239.07047	3.6
239.10588	1.6
241.08694	2.5
243.08176	1.4
245.04369	4.5
245.07886	7.6
247.07706	2.5
251.07318	1.0
251.08063	1.1
251.10646	8.3
253.04974	2.0
253.08594	2.8
255.06506	22.1
255.10088	8.1
257.08102	1.7
259.09683	1.1
261.09128	12.0
265.04980	2.6
265.08600	15.9
267.06372	1.5
269.08124	6.9
269.11615	1.6
273.07629	4.4
277.07071	1.0
279.10144	13.4
281.08087	1.2
283.06036	10.8
283.09647	17.9
287.09155	17.4
287.12418	1.9
289.08411	5.3
289.11270	2.0
293.11639	2.0
297.07611	4.0
297.11224	11.6
298.08392	2.3
299.09232	1.2
301.07059	4.1
301.10706	3.0
303.08923	1.3
307.09692	14.7
311.09387	1.3
311.12668	3.1
313.10745	2.5
315.08624	19.4
315.12280	35.8
321.10278	3.3
325.10638	11.1
329.10379	1.6
333.09717	3.8
335.09082	10.0
339.12341	10.1
347.11243	38.5
349.10818	5.2
353.10153	14.0
357.13300	7.9
367.11740	52.5
368.11917	1.5
371.11115	3.0
371.15106	1.8
381.13498	3.1
385.12781	35.5
399.14417	15.4
403.13803	10.9
417.15448	8.0
477.17563	4.3
487.89661	1.1
497.14017	1.1
509.16483	2.8
547.17993	1.4
557.76178	1.1
675.03424	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.8
55.05521	0.8
57.03437	0.9
59.05000	7.5
61.02921	0.4
62.09747	0.3
64.24683	0.3
65.03931	0.4
67.05508	4.2
68.02629	0.5
69.03419	3.4
69.25024	1.1
69.25427	0.5
71.01355	2.6
71.04986	1.1
73.02937	0.4
77.03557	0.3
77.03905	1.6
78.30583	0.3
79.01866	0.6
79.05492	15.1
81.03419	8.1
81.07053	2.1
83.01312	0.4
83.04971	2.3
85.02905	4.2
87.04446	0.7
91.05476	5.6
93.07042	6.7
94.04188	0.9
95.01354	0.5
95.04965	19.8
95.08610	1.5
97.02893	3.8
97.06539	0.6
99.04451	1.1
101.08199	0.3
102.04627	0.4
103.03954	1.7
103.05466	8.9
105.03394	0.9
105.04530	2.6
105.07030	2.0
107.04951	88.2
108.05243	0.5
108.20794	0.3
109.02876	69.0
109.06511	5.3
110.03214	0.8
110.53434	0.3
111.04447	3.7
111.08080	0.5
115.03878	0.4
117.07009	0.4
119.04945	0.8
119.08592	0.4
121.02852	0.5
121.06505	15.6
123.00823	0.5
123.04419	6.2
125.02347	6.5
125.05988	1.1
127.03901	3.8
131.04936	6.0
131.06010	0.6
131.08655	0.3
133.02832	2.2
133.06480	0.8
135.04407	5.6
135.08060	0.4
137.05965	3.3
139.03899	46.7
139.07472	1.9
141.05466	1.6
145.04945	1.0
147.04405	1.2
149.05977	28.0
150.06352	0.5
151.03899	21.1
153.05504	3.1
157.04909	0.4
159.04405	4.7
161.05995	0.5
163.03896	5.2
163.05130	0.5
163.07576	0.9
165.05472	86.6
166.05794	1.8
167.07034	25.4
168.07376	0.6
173.04468	0.4
175.03909	0.9
177.05464	67.6
178.05821	1.2
179.07036	0.7
179.51907	0.3
181.04958	1.1
181.08571	1.3
183.06602	0.5
189.05539	0.5
189.07413	0.4
191.05432	0.6
191.07008	4.0
191.41847	0.3
195.06526	12.5
207.06555	0.4
209.08081	100.0
210.08435	2.2
227.09131	23.9
228.09512	0.4
269.06509	0.4
269.10007	0.7
295.08176	0.7
301.08920	0.7
303.08521	0.9
303.29031	0.3
313.09253	0.5
321.09741	2.1
325.09158	0.7
339.10745	5.3
353.12302	1.1
357.11520	0.6
371.13278	2.5
389.14368	0.4
411.58316	0.3
441.00565	0.3
447.11075	0.3
455.42294	0.4
463.12222	0.3
501.15814	0.3
521.16583	0.4
533.16888	0.7
547.18237	0.9
565.18958	1.0
579.20337	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
64.76756	0.3
66.57503	0.3
67.05502	0.4
69.07063	0.4
69.61326	1.6
73.29290	0.3
79.05511	1.2
81.03448	0.8
81.07069	0.9
85.02917	0.6
91.05486	0.9
93.07077	0.8
95.05004	1.1
95.08609	0.7
96.05286	0.4
101.36910	0.3
103.05454	0.5
105.07015	0.4
107.04960	4.7
107.08643	0.6
108.05322	0.7
109.02876	3.1
109.06510	0.4
109.10133	0.6
110.03302	0.5
111.04482	0.5
111.08043	0.3
111.11740	0.4
121.06542	1.1
122.06853	0.4
123.11716	0.4
131.04968	0.5
133.63455	0.3
137.06000	1.2
139.03909	2.6
149.06020	1.4
151.03981	1.1
153.05431	0.3
159.04509	0.5
163.03932	0.5
165.05489	4.6
166.05850	1.0
167.07104	1.6
168.07448	0.5
173.13373	0.4
177.05508	2.3
178.05940	0.5
179.07333	0.3
181.04987	0.4
191.07120	0.5
195.06558	0.5
209.08102	5.2
210.08464	1.7
227.09233	1.2
228.09476	0.4
233.51234	0.4
238.93805	0.4
256.26855	0.4
271.06067	0.5
285.28119	0.4
287.05457	2.6
288.06125	0.4
316.78293	0.3
339.10886	0.5
340.44141	0.4
545.14215	12.8
546.14832	0.5
615.18475	2.4
777.23615	100.0
778.23846	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	777.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.5
58.25428	1.0
59.56260	0.9
67.05508	1.2
69.07078	1.3
81.07109	1.0
84.81308	0.9
85.02930	1.1
93.07000	1.1
95.08607	1.1
106.60705	1.1
107.08582	1.7
108.08022	1.1
109.10191	1.6
117.06958	1.0
119.08625	1.0
121.10087	1.2
131.08580	1.1
137.06026	1.6
145.10092	1.0
153.01863	2.3
163.03934	2.0
169.04694	1.1
193.04570	1.1
219.10306	1.0
219.83084	0.9
237.07323	1.1
245.86499	0.9
271.06030	2.6
287.05646	2.0
291.08511	3.5
321.09265	1.1
323.11127	3.5
337.08936	3.3
417.33749	1.2
419.13437	1.1
435.12845	1.0
435.34491	1.8
451.15860	4.7
452.50632	1.2
467.15411	3.6
473.07089	1.3
483.14816	3.1
501.17294	3.4
631.23730	2.7
647.22980	5.0
673.34406	1.8
740.32660	1.2
745.26978	1.4
747.95190	1.0
777.29199	100.0
778.29803	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	777.309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35170	0.3
55.05512	0.4
69.03447	0.7
69.14963	1.8
77.49342	0.3
79.05524	0.4
81.03412	0.5
82.11792	0.3
91.05477	0.9
93.07057	0.6
95.04998	0.9
95.08643	0.4
97.02871	0.4
103.05458	1.1
105.07062	0.6
107.04965	1.5
109.02886	0.4
109.06445	0.4
111.04220	1.0
119.05000	0.5
121.06516	0.7
127.11648	0.4
131.04959	1.3
131.08534	0.4
133.06529	0.6
135.04480	0.8
137.05992	1.7
145.02773	0.4
147.04420	0.5
149.05977	0.6
149.73413	0.4
151.03915	1.0
159.04164	37.9
161.06033	0.7
163.03937	1.8
163.07573	1.4
163.97165	0.3
165.05553	0.4
167.07079	1.5
174.06792	0.4
175.03659	16.7
177.05502	1.0
179.07051	0.4
181.05028	1.1
189.05330	0.8
191.07002	4.3
195.06502	0.5
196.07016	0.4
201.05296	0.5
204.07658	1.2
205.04851	0.5
209.08150	0.5
220.07114	0.9
221.08159	1.2
262.34766	0.4
271.06033	0.7
279.97003	0.4
287.05585	1.7
314.06384	0.5
332.07593	2.0
339.12048	0.6
346.09244	0.4
347.09891	2.1
356.12360	2.1
363.09674	0.4
383.14893	0.5
384.15582	1.5
390.08426	0.5
391.08948	7.0
397.16187	12.1
399.14407	0.9
411.17996	1.5
412.14664	0.4
413.15823	1.7
423.11734	0.9
427.17242	2.4
428.18399	0.7
429.15100	0.9
489.43307	0.4
549.20410	0.4
565.20294	2.1
579.21735	0.7
580.22919	0.9
581.23712	0.8
588.19446	1.1
589.20502	0.5
593.23663	0.7
607.24762	0.5
620.22345	1.1
745.26880	0.9
777.30774	100.0
778.30933	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	778.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88664	0.4
55.01868	3.6
55.05511	1.3
57.03438	0.7
67.05505	1.5
69.03426	2.8
69.07069	2.7
69.75856	0.5
69.95344	1.6
71.05002	1.9
79.05492	6.6
81.03414	6.7
81.07059	6.0
83.04969	1.0
85.02888	2.4
85.06547	1.4
90.04690	1.0
91.05470	3.7
93.07048	9.2
95.04971	3.5
95.08611	3.1
97.02882	1.3
97.06538	3.1
99.04447	2.6
101.05211	0.4
103.05453	6.1
105.07028	52.6
106.07318	0.5
107.04955	2.3
107.08599	11.8
109.02872	8.6
109.06508	3.3
109.10152	0.9
111.04404	0.8
111.08071	1.8
113.06010	0.8
115.05452	9.5
117.07017	0.9
118.04127	2.8
119.04913	0.6
119.08589	1.9
121.02840	0.7
121.06502	5.0
121.10141	6.9
123.04420	1.0
123.08054	2.0
125.02356	0.8
125.06042	0.7
125.88029	0.5
127.03914	4.3
130.07780	0.7
131.04929	2.7
132.05688	0.5
133.06487	50.4
134.06889	0.7
135.04430	0.6
135.07985	1.1
135.11685	3.1
137.05975	1.7
137.09674	0.6
139.07562	0.8
143.04904	1.5
143.06049	5.2
143.21695	0.5
145.10095	6.4
147.04379	0.7
147.11665	1.2
149.05965	3.8
149.09612	4.6
151.03917	1.5
151.07555	2.1
153.05490	1.0
161.05975	100.0
162.06300	2.3
163.03955	2.6
163.07564	0.9
163.11176	16.6
164.11574	0.6
165.05455	1.7
167.07022	8.5
167.10678	5.5
169.08598	16.4
170.05743	0.5
170.85114	0.5
173.09650	1.0
175.07596	0.5
177.05464	1.0
181.08577	2.8
181.12193	3.5
185.11810	0.8
191.10646	5.8
193.08597	87.0
194.08891	1.2
195.06496	1.0
209.11722	7.5
211.09654	8.5
215.07092	0.6
227.12758	17.0
255.12314	0.5
265.12189	1.3
271.13272	0.7
283.13245	2.7
284.13742	0.7
287.05530	1.4
289.14365	2.0
293.14032	0.5
309.11169	1.6
310.11365	0.8
314.68204	0.5
317.13715	0.8
335.14926	1.3
353.15942	15.0
359.23318	0.6
371.11484	1.0
371.16870	3.9
381.25232	1.5
382.25937	0.7
389.17490	0.5
407.22717	0.6
408.23303	0.5
425.24292	0.7
491.28943	0.8
492.29163	1.0
499.33545	0.5
515.99536	0.5
517.26782	1.2
529.84814	0.5
563.20477	0.5
604.45331	0.5
633.39441	1.0
634.39960	2.1
717.45453	4.1
718.46228	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	779.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.2
56.96570	1.2
57.03439	2.2
61.02926	4.0
67.05505	3.3
69.03442	3.4
69.07067	1.8
69.75320	2.9
72.33331	1.0
73.02915	2.7
79.05508	3.7
81.03420	3.0
81.07067	3.5
83.04977	1.5
85.02898	5.6
86.09711	3.2
91.03973	2.2
91.05495	4.4
91.19711	1.0
93.07039	2.2
95.04980	2.1
95.08611	1.2
97.02903	3.2
101.02387	2.1
102.53852	0.9
105.07060	2.6
107.08621	1.4
111.08069	0.9
119.08616	2.1
124.99999	1.7
131.08594	1.3
133.10149	1.8
147.11697	1.2
153.01825	10.6
154.02129	2.4
184.07362	10.9
185.07779	1.1
193.12297	1.0
211.13490	1.0
223.02754	0.9
223.77364	0.9
243.08566	2.0
251.12691	1.1
255.09059	1.7
273.10147	1.3
331.15955	2.8
333.20566	2.1
349.16815	5.4
367.18225	1.6
379.03180	1.1
451.10983	2.7
469.11880	12.2
469.19626	6.8
499.65292	1.0
551.28516	2.8
779.41846	100.0
780.42279	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	779.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.5
55.05513	4.4
57.03444	5.6
61.02923	9.1
67.05500	5.0
67.67480	0.6
69.03428	18.7
69.07063	4.8
70.21704	0.6
70.22025	1.3
71.04990	2.3
73.02908	3.9
79.05492	5.2
81.03416	6.7
81.07057	13.7
83.04999	0.9
83.08604	3.0
85.02904	100.0
86.03207	0.6
87.04468	1.3
91.03959	4.2
91.05478	6.6
93.07053	11.2
95.04959	1.2
95.08604	23.3
97.02255	1.2
97.02887	23.2
97.06522	1.1
97.10165	1.9
99.04461	3.3
101.02430	1.2
103.03922	1.0
105.07030	20.0
105.07738	1.0
107.08591	19.2
109.02880	10.5
109.06529	1.5
109.10152	9.8
111.08106	1.4
115.03963	1.2
117.07022	2.8
119.08578	35.2
120.08900	0.6
121.06520	3.2
121.10142	13.5
123.08062	1.0
123.11706	3.9
125.09632	1.4
127.03912	22.9
128.06255	1.7
129.06998	3.3
130.07784	0.9
131.08559	12.3
133.06531	0.9
133.10120	21.8
135.08076	3.3
135.11713	6.7
137.09610	1.4
141.06973	0.8
142.07738	1.0
143.08556	8.4
145.04958	34.5
145.10115	19.8
147.08047	1.9
147.11688	9.8
149.05928	0.8
149.09608	1.7
149.13255	6.4
151.07603	1.1
151.11188	1.1
153.09111	2.4
155.08582	1.5
156.09309	1.2
157.10129	8.5
158.10854	0.6
159.08073	0.7
159.11691	16.2
161.09631	5.0
161.13257	18.6
163.06049	12.4
163.07466	1.7
163.11209	2.9
163.14809	6.5
165.09129	0.8
168.09369	0.6
169.10094	4.0
170.10905	1.5
171.11670	5.6
173.09616	0.7
173.13252	11.8
174.88477	0.6
175.11215	1.6
175.14809	11.6
177.09073	3.8
177.12776	3.2
177.16426	1.8
179.10689	3.7
181.10126	1.5
183.11688	4.0
185.13264	9.6
187.11250	1.0
187.14816	15.3
188.15323	0.8
189.12770	5.6
189.14604	0.8
189.16368	12.1
191.10684	0.9
191.14319	3.9
191.17897	3.9
193.10178	0.8
195.11688	1.5
197.13292	3.2
198.27438	0.6
199.10951	0.7
199.14792	5.8
201.16373	28.3
203.14313	5.8
203.17920	3.7
207.11853	1.3
207.13857	2.6
209.13283	0.9
210.13913	0.8
211.14810	3.1
213.12813	0.8
213.16377	4.3
215.14420	2.3
215.17931	4.2
217.15865	3.1
219.17560	0.9
221.13402	1.2
221.15433	2.1
223.14731	1.4
223.98680	0.7
225.16411	2.5
227.14439	0.9
227.17946	2.1
229.15840	1.9
229.19504	8.3
231.17453	1.3
231.21161	1.1
233.15350	1.5
235.14819	1.1
235.16899	10.6
237.16373	1.4
239.17960	3.3
241.19536	2.6
247.16930	38.4
251.18044	1.8
253.19513	4.7
255.21181	2.0
259.17059	1.4
261.18524	2.0
263.17911	0.7
265.19550	0.6
267.21072	2.3
269.19012	0.9
275.20090	5.6
277.19437	2.7
281.22668	1.2
287.20282	0.7
295.20453	4.3
299.20105	1.5
303.21121	1.2
313.21652	2.0
317.22598	0.8
321.22189	1.4
325.11362	1.0
333.25735	0.7
335.27371	1.6
339.23224	0.7
363.30673	2.4
373.28836	9.2
375.30444	1.0
376.53372	0.6
381.27930	4.6
391.29938	44.6
392.30234	3.0
409.30978	32.3
410.31271	1.4
411.32593	1.8
419.29453	10.2
437.30490	32.9
438.31131	1.7
455.31564	26.1
456.32120	0.8
581.34906	2.0
599.35791	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.9
57.03436	2.0
65.03942	18.4
67.05505	5.7
69.07077	3.1
79.05499	5.2
81.03410	4.9
81.07061	4.3
82.04217	3.0
83.04971	1.8
85.02902	3.7
91.05468	7.8
93.03405	11.0
93.07035	3.7
94.04223	1.9
95.01342	2.3
95.04981	5.7
95.08616	3.8
97.02910	1.4
97.06520	3.8
101.01100	1.2
103.05477	3.3
105.04557	1.6
105.07016	5.6
107.04970	6.0
107.08592	1.9
109.02893	1.9
109.06521	4.1
109.10127	1.8
110.03661	20.1
111.04447	23.8
115.05461	2.8
117.07032	2.4
119.04951	3.9
119.08590	2.1
121.02861	18.1
121.06542	4.1
121.10127	1.8
122.03654	1.2
123.04445	2.2
123.08103	1.4
125.05996	21.5
129.07027	3.0
131.04927	4.5
132.05672	1.2
133.06467	3.7
133.10115	2.4
135.04413	1.9
135.08032	1.4
137.05972	22.0
138.03125	2.0
143.04900	1.5
145.06512	2.8
146.05882	1.3
147.04420	3.6
149.05994	4.1
151.03908	3.8
151.07530	5.1
153.05466	100.0
158.36180	1.2
159.04572	1.4
159.08055	3.7
161.05984	9.5
162.06738	2.1
163.03912	4.7
163.07547	3.5
165.05551	2.8
165.06958	2.2
167.07053	24.7
167.08476	2.0
169.08505	1.4
173.06009	3.2
175.07516	5.8
177.05489	2.2
178.07845	1.6
179.07045	9.0
179.08513	2.6
181.04958	2.8
181.06476	2.9
182.07259	1.5
186.06737	1.5
187.07500	3.4
190.07901	1.2
191.07018	8.2
191.08519	2.3
193.06512	1.4
193.08611	2.5
194.07222	1.5
195.08061	2.9
196.08919	1.6
197.09618	2.0
199.07542	2.5
201.05385	1.5
202.07671	1.3
203.06963	2.4
203.08629	1.6
205.06686	1.8
205.08537	1.6
207.08084	2.9
208.08794	2.8
209.06145	1.4
209.07922	2.2
209.09766	1.6
210.06804	2.5
211.07565	3.2
213.09044	1.3
215.06888	1.8
216.07834	2.3
217.06638	1.5
217.08588	1.8
218.07272	3.9
219.08061	5.9
220.08821	4.4
221.05975	3.3
221.09715	2.9
222.06734	1.8
223.07536	4.4
225.09129	3.5
226.06322	3.0
234.06706	3.3
235.07570	5.2
236.08368	4.4
237.09091	4.7
238.06140	1.8
238.09979	1.7
239.06987	6.0
239.10571	2.6
247.07483	4.0
247.09709	10.8
248.08220	3.0
249.05499	1.4
249.09149	3.0
251.07021	2.5
251.10759	3.5
252.07866	2.4
253.08548	12.3
254.09407	3.8
255.10368	1.6
261.08994	1.6
263.07108	2.3
264.07809	4.6
265.08640	7.0
266.09280	2.6
267.10178	4.5
269.11761	7.1
275.07092	2.6
276.07813	2.8
277.08554	4.4
278.09335	1.4
279.10214	4.4
280.07410	1.6
280.10669	2.2
281.08151	3.5
281.11423	1.5
282.08990	3.9
283.09689	3.0
284.10266	1.3
289.08585	1.3
291.10034	2.5
292.07416	1.5
293.08307	1.6
294.08850	2.4
295.09705	4.6
296.10526	1.3
297.11295	8.8
299.12753	1.5
307.09631	7.0
309.08014	1.8
309.10995	6.2
310.08386	1.4
310.11899	1.8
311.09314	1.7
311.12775	4.2
321.11270	4.6
322.12057	1.9
325.10709	61.8
326.11221	5.7
327.12244	10.5
327.15689	1.6
329.13675	5.9
337.10751	7.3
339.12289	26.5
340.12961	4.3
341.13788	5.2
353.13538	3.2
355.11752	2.8
355.15445	4.5
357.13315	84.8
358.13760	3.4
369.13290	14.7
373.16296	3.6
382.68246	1.5
387.14087	7.4
433.33264	2.2
451.34061	3.3
706.84106	1.1
761.19971	1.2
780.29181	1.8
780.42267	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	780.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.3
65.03938	21.2
67.05498	4.8
69.03408	3.7
69.07055	3.1
69.93816	3.3
69.94182	5.8
79.05486	4.2
81.03421	3.1
81.07060	5.1
82.04204	3.2
85.02908	2.5
85.06548	1.7
91.05484	11.9
93.03415	11.5
93.07052	3.2
95.01300	1.9
95.04974	8.8
95.08605	2.8
97.06515	4.4
103.05505	3.1
105.07026	6.3
106.04182	3.2
107.04953	5.5
107.08572	4.1
108.02132	2.8
109.06512	2.6
110.03670	16.5
111.04436	21.9
117.07056	2.9
119.04951	4.2
119.08569	3.1
121.02862	17.8
121.06501	4.8
121.10170	3.1
123.04422	1.9
123.08064	2.0
123.11756	2.5
125.06002	25.1
129.07050	2.7
131.04910	5.3
131.08603	2.1
133.06522	4.0
135.04431	2.7
137.05969	28.7
138.03123	2.7
144.05737	1.8
145.06483	3.9
146.07249	2.1
147.04385	2.0
147.08083	3.5
149.02448	2.8
149.05981	6.5
151.03914	3.7
151.07567	3.9
153.05466	100.0
159.08054	5.2
161.05942	11.5
163.03886	10.2
163.07573	3.7
165.05554	3.0
165.06964	2.2
167.07053	22.3
167.08383	3.2
169.12309	2.3
171.04445	2.0
173.05998	5.0
175.07559	8.2
177.05484	4.0
179.07027	5.1
181.04962	5.3
181.06436	2.0
186.06831	2.9
187.07478	2.8
189.05443	3.1
191.07004	8.4
191.08524	2.5
193.06584	2.5
193.08646	2.9
194.07246	2.6
195.08064	4.5
199.07504	2.8
203.08696	1.8
205.06479	3.3
207.08055	5.1
209.08017	4.0
209.09761	2.9
211.07553	3.7
215.07109	2.2
216.07796	3.5
218.07245	2.5
219.08075	7.3
220.08786	2.6
221.05986	3.5
221.09502	2.0
223.07588	3.6
225.09143	5.8
226.06290	3.6
235.07550	4.3
236.08302	6.6
237.09148	4.6
237.16057	1.9
239.07031	7.4
239.10674	2.9
247.07468	5.2
247.09671	15.1
248.08426	2.7
249.09035	3.0
251.07037	2.7
251.10582	5.6
253.08568	15.0
254.09428	4.0
259.09851	2.2
261.09073	4.5
263.06989	4.1
264.07751	2.4
265.08603	5.3
266.09488	2.8
267.10205	4.2
269.11728	6.7
275.06985	2.0
276.07788	2.5
277.08582	5.6
278.09354	2.4
279.10251	6.9
281.08105	3.6
281.11627	1.8
282.08960	3.9
283.13354	3.2
287.05905	2.3
289.08615	3.0
291.10101	3.5
294.08737	2.7
295.09622	3.6
296.10248	2.3
297.11307	9.2
307.09671	13.4
308.10361	3.7
309.11182	5.7
311.12775	4.0
313.10675	3.8
321.11194	5.0
325.10672	54.3
326.11292	3.6
327.12341	13.4
329.13791	5.4
337.10568	7.0
339.12247	38.2
340.12714	2.7
341.13776	6.7
351.12390	3.0
353.13434	2.2
355.15414	4.3
357.13324	90.9
358.13434	2.5
369.13419	16.7
371.14609	2.0
387.14215	8.8
433.33380	2.3
499.17444	2.5
652.14130	2.1
768.27570	2.2
780.41193	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	780.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	22.8
55.31133	3.4
66.56057	2.9
67.05499	12.6
69.03432	22.2
69.07070	15.5
69.17401	17.3
73.02903	6.0
73.06549	8.8
73.71607	3.1
79.05480	13.4
81.07051	30.3
83.08631	17.0
85.02915	42.2
86.09699	4.9
91.05455	12.3
93.07030	21.3
95.08601	51.9
97.02900	74.1
97.06486	3.6
97.10165	16.6
100.00484	3.2
105.07031	30.2
107.08595	42.0
109.10140	25.7
115.03941	44.4
115.07549	15.0
117.06992	11.5
119.08584	45.4
121.10139	29.0
123.11676	5.5
124.75863	2.8
125.00094	3.9
125.09613	5.4
126.95161	3.2
127.03889	8.4
129.07008	4.1
129.09164	6.1
130.29866	3.0
131.08545	17.7
133.10132	49.4
135.11685	12.8
137.13246	3.7
142.07764	4.0
143.08565	8.6
143.10678	6.0
144.09404	4.4
145.10120	40.0
147.11703	25.5
149.13248	8.6
157.04965	100.0
157.10191	15.9
157.12216	19.6
159.11674	37.6
161.09558	6.4
161.13228	17.4
163.14795	5.2
167.10570	3.7
171.11638	12.5
173.13249	29.6
175.04588	5.8
175.06029	65.6
175.11197	25.3
175.14833	10.8
177.16374	3.9
183.11690	6.9
184.07372	17.7
185.13261	7.7
187.14796	21.9
189.12708	10.6
189.16365	17.5
197.13272	6.2
199.14793	5.8
201.16431	15.6
207.13846	5.0
211.14746	8.0
213.16336	7.5
215.17979	17.7
223.16914	5.8
235.16982	6.6
239.17987	5.4
241.19662	4.0
247.16866	4.0
249.18544	8.1
253.19583	4.5
263.20160	24.0
267.20953	6.6
275.19937	6.0
295.24130	3.4
309.25787	3.7
312.82709	3.8
381.27890	4.1
395.29477	7.5
419.32861	8.2
451.29364	5.0
451.35660	81.6
452.35709	4.5
511.37750	31.7
726.52789	3.7
780.40686	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66642	0.5
55.01865	1.9
55.05518	3.1
57.03431	1.2
60.56913	0.6
65.03912	0.7
67.05499	2.2
69.03423	7.1
69.45672	2.8
71.01339	4.7
71.04993	0.9
73.02888	0.9
77.03927	0.8
78.04729	1.0
79.05495	5.9
81.03416	8.9
81.07051	42.4
83.04979	2.1
85.02905	6.8
89.03901	1.5
91.05475	6.9
91.25942	0.7
93.07041	6.7
94.04198	1.5
95.04965	3.7
95.08606	12.5
97.02888	7.2
97.06555	0.9
98.22726	0.8
99.04446	2.0
103.05471	4.3
105.07026	16.5
107.04939	4.6
107.08584	2.1
109.02888	6.9
109.06516	82.1
110.06803	1.1
111.04473	1.0
115.05466	0.8
117.03418	0.8
117.07048	1.3
119.04890	0.8
121.06493	10.5
123.04398	2.3
123.08064	13.2
124.05061	0.7
125.02281	0.7
125.05968	0.9
127.03924	6.4
131.04947	5.6
133.02827	0.8
133.06483	22.0
135.04462	0.8
135.08006	3.1
137.05972	21.7
139.07547	0.8
140.04709	1.9
145.02780	1.3
145.04947	1.5
148.05188	1.5
149.05969	11.1
151.07535	51.3
152.04634	0.9
153.09099	2.0
155.07056	3.2
159.04419	5.6
161.05959	14.7
163.03943	1.3
165.05476	1.5
167.07030	70.1
167.76256	0.7
168.07451	0.8
177.05463	28.2
178.05858	0.9
179.07022	99.0
180.07411	1.0
181.08597	1.1
183.06485	0.9
191.07014	1.5
193.08575	1.2
195.06549	2.4
197.08081	100.0
198.08414	0.9
207.06406	0.8
209.08070	19.3
215.05594	3.2
215.09114	11.4
221.08081	1.0
227.09120	40.8
287.09280	1.1
305.10156	2.9
321.09610	1.2
323.11215	10.7
341.12299	38.7
342.12872	1.1
359.13348	33.4
360.13785	1.0
375.14380	1.6
387.14359	1.4
405.15292	2.5
467.15353	0.7
485.16385	1.8
503.17651	3.8
537.19147	1.5
742.46655	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.3
55.05507	1.5
57.03431	0.8
65.03938	1.2
67.05500	2.6
69.03424	4.8
69.06744	0.7
69.07062	4.6
69.26603	3.0
71.05000	2.8
79.05483	4.7
81.03416	11.6
81.07054	8.6
83.04971	1.5
85.02896	2.9
85.06541	2.1
91.05479	13.2
93.07043	11.9
94.04182	1.8
95.04967	4.0
95.08607	3.9
97.02882	1.8
97.06515	4.1
99.04448	4.8
101.54430	0.5
103.05452	3.1
105.07029	11.1
107.04951	2.8
107.08591	18.2
109.02880	16.7
109.06520	5.3
109.10171	1.3
111.04460	1.6
111.08072	2.6
113.05991	1.4
115.05424	0.5
117.07037	1.1
119.04939	31.4
119.08582	3.1
121.06519	6.0
121.10144	11.5
122.03643	4.0
123.04453	2.4
123.08045	2.8
125.02426	0.8
125.06033	1.5
127.03918	9.5
127.07539	1.0
131.04939	7.4
131.08594	1.1
133.06497	2.0
133.10144	0.7
135.04382	0.9
135.08067	2.9
135.11707	5.0
137.05975	100.0
138.06319	1.0
139.07578	1.1
139.11214	1.4
143.08644	0.5
145.10118	9.6
145.11223	0.8
147.04402	60.6
147.11693	2.1
148.04691	0.9
149.06006	1.9
149.09637	4.7
151.03900	0.7
151.07559	5.7
153.05389	0.7
155.07030	1.1
161.05986	2.8
161.09599	1.1
163.03922	4.7
163.07565	5.1
163.11180	30.6
164.04724	0.8
164.11536	0.6
165.05496	0.6
165.09143	1.6
167.06985	2.6
167.10670	9.0
169.08606	36.5
173.09625	2.2
175.07411	0.6
177.05434	0.6
179.07027	37.9
181.04939	1.1
181.08580	0.5
181.12230	7.4
183.06554	1.3
185.11705	1.6
187.07527	1.0
189.09097	1.1
191.07056	1.3
191.10666	15.4
195.06787	0.5
197.08087	8.5
203.07123	1.5
205.08694	1.0
207.10118	0.8
208.79779	0.6
209.11726	21.6
215.06993	1.3
217.08568	0.7
218.60870	0.5
225.11176	0.7
227.12772	60.3
228.13087	0.6
245.13901	2.1
255.12299	2.1
257.08005	0.8
269.13870	2.6
271.13309	1.8
289.14377	5.6
293.13812	1.2
299.12671	1.0
307.15256	1.0
311.15106	0.8
317.13898	2.1
335.14920	9.0
339.12143	1.4
353.15936	51.9
354.16248	1.9
357.13321	1.8
369.13098	0.6
371.17059	14.9
389.18024	6.0
439.04779	0.6
500.55890	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.533
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	1.0
67.05521	0.8
69.07053	1.0
70.96106	0.7
71.08627	1.5
79.05448	0.9
81.07072	1.0
86.09707	100.0
88.38467	0.7
88.59772	0.7
91.05472	0.8
98.09670	1.7
105.07028	2.5
112.11261	6.3
120.08106	46.0
122.98582	0.9
146.09630	2.5
152.40805	0.8
154.15894	20.9
157.13371	10.7
184.07344	1.2
185.12860	15.3
188.14323	6.0
199.18054	17.3
219.11382	1.2
225.19604	6.1
227.17554	14.7
233.16478	17.8
235.18073	1.0
253.19087	8.5
259.18210	1.9
261.15991	14.5
267.24292	7.8
287.17526	3.3
295.23785	3.8
298.21198	9.1
301.22760	7.6
311.21454	1.1
329.22156	5.0
332.19650	5.8
340.25970	2.5
346.33282	0.8
366.27368	3.3
374.24304	4.3
383.29950	1.7
400.25970	3.3
408.31628	1.2
411.29593	3.9
417.28384	2.1
442.30502	2.7
445.28271	4.4
453.34531	1.6
459.33279	1.4
479.35773	2.0
487.32724	2.7
513.34320	2.7
524.38354	4.4
530.36737	3.0
532.14508	0.8
555.39044	1.5
558.36469	9.9
592.44110	1.7
600.41077	1.9
626.42657	7.5
637.46338	1.6
643.45142	4.7
656.04755	0.9
671.44830	19.8
739.51147	4.9
756.42822	0.9
756.53870	8.8
766.51837	2.4
784.53394	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	789.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.1
57.03437	0.1
61.02913	0.1
65.03938	0.1
67.01860	0.3
67.05507	0.4
68.99490	0.1
68.99809	0.2
69.03424	0.7
69.61331	0.2
69.61694	0.1
71.01343	0.1
71.04983	0.1
77.03928	0.2
79.05481	0.7
81.03413	0.8
81.07061	0.2
83.04964	0.2
85.02894	0.7
86.42995	0.1
89.68475	0.1
91.05471	0.7
93.07044	0.5
95.04962	7.4
97.02885	1.5
97.06487	0.1
99.04441	0.1
103.05455	0.6
105.03406	0.1
105.04510	0.4
105.07011	0.1
107.01310	0.1
107.04948	4.0
109.02868	2.4
109.06500	0.2
111.00781	0.1
119.04931	1.1
121.02854	0.7
121.06504	1.2
123.04432	1.5
125.02345	3.8
125.05968	0.4
127.03905	0.4
129.01855	0.1
131.04916	0.4
133.02855	0.1
133.06471	0.1
135.04410	0.3
144.25797	0.1
145.02832	0.9
145.04906	0.1
147.04350	0.1
149.05972	1.8
151.03893	14.1
151.07492	1.5
152.04240	0.2
153.01810	4.0
153.05437	1.0
159.04385	0.3
161.05948	0.2
163.03870	0.7
165.01770	0.1
165.05533	0.1
165.07001	0.1
167.07039	0.2
169.04955	0.1
171.02914	0.6
177.05466	3.0
187.03909	0.1
195.06509	6.2
203.07040	0.3
213.07576	0.5
225.05382	0.6
229.04938	0.3
243.06381	0.1
247.06100	0.1
270.05206	0.1
271.05975	100.0
272.06311	2.1
283.06036	0.4
287.05334	0.1
295.05557	0.1
297.04510	0.1
297.07428	0.4
307.05945	0.2
309.07581	0.1
313.06989	0.7
321.10037	0.1
333.07562	0.2
337.07190	0.1
339.10657	0.4
349.07001	0.1
351.05035	0.2
357.11905	0.2
377.06635	0.3
378.07455	0.1
397.08676	0.1
415.10117	0.3
433.11252	4.5
434.11578	0.1
447.10568	0.2
459.12872	0.7
465.11563	0.2
513.13281	0.1
539.11829	0.2
557.12708	0.9
565.13226	0.3
583.18024	0.6
609.15979	1.2
627.16998	2.9
628.17047	0.1
674.76318	0.1
789.08966	0.1
789.22241	1.0
789.54565	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	789.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.2
61.02935	0.1
64.27834	0.1
65.03928	0.1
67.01866	0.3
67.05517	0.4
68.99780	0.5
69.03429	0.7
69.42876	0.3
71.01350	0.1
77.03929	0.3
79.05492	0.7
81.03418	0.7
81.07047	0.1
83.04982	0.2
85.02903	0.7
91.05488	0.7
93.07042	0.6
95.04967	7.5
96.05312	0.1
97.02889	1.7
97.06512	0.1
99.04466	0.1
103.05470	0.6
105.03360	0.2
105.04511	0.5
105.07032	0.2
107.04952	3.8
107.18513	0.1
109.02872	2.3
109.06522	0.2
119.04935	1.2
121.02877	0.9
121.06507	1.0
123.04434	1.6
125.02348	3.5
125.06007	0.4
127.03905	0.3
129.01906	0.2
131.04947	0.4
133.06444	0.1
135.04411	0.3
137.06029	0.1
142.88763	0.1
145.02852	1.0
145.04991	0.1
147.04500	0.1
149.05974	1.6
151.03899	12.5
151.07489	1.1
153.01819	4.4
153.03076	0.2
153.05467	0.9
159.04424	0.3
163.03888	0.6
164.04216	0.1
167.07025	0.2
169.04961	0.1
171.02892	0.8
177.05458	2.5
187.03873	0.1
195.06517	5.2
197.06055	0.1
203.07069	0.4
206.60371	0.1
213.07623	0.4
225.05408	0.6
229.04956	0.4
243.06448	0.2
247.06007	0.1
257.04263	0.1
270.05112	0.2
271.05988	100.0
272.06342	2.1
283.06009	0.3
287.05542	0.2
295.05896	0.1
297.03961	0.1
297.07486	0.3
307.05942	0.1
313.07025	0.6
321.09683	0.2
337.06808	0.1
339.10757	0.3
349.06995	0.1
351.05057	0.1
377.06436	0.5
377.10522	0.1
415.10181	0.2
433.11304	4.2
434.11700	0.1
447.11029	0.1
459.12759	0.5
465.11368	0.1
482.11063	0.1
519.40326	0.1
539.11420	0.2
557.12805	0.7
565.13135	0.3
583.18085	0.5
609.15985	1.2
627.17120	2.6
628.16656	0.1
789.21832	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.2
55.27930	0.1
57.03415	0.1
65.03927	0.1
67.01860	0.4
67.05499	0.2
68.99486	0.1
68.99772	0.4
69.03428	0.5
69.07054	0.1
69.67139	0.1
71.04981	0.2
77.03927	0.2
79.05496	0.4
81.03413	0.6
81.07047	0.3
83.04968	0.1
85.02900	0.6
91.05467	0.6
93.07053	0.5
95.04964	4.7
95.08577	0.1
97.02881	1.1
99.04488	0.1
103.05460	0.4
105.04494	0.4
105.07018	0.2
107.04953	2.9
107.08554	0.1
109.02867	1.8
109.06516	0.1
109.10108	0.1
111.00821	0.1
113.75335	0.1
117.06983	0.1
117.66557	0.1
119.04949	1.3
121.02869	0.7
121.06490	0.8
123.04425	1.1
125.02348	2.9
125.05983	0.3
127.03896	0.2
129.01793	0.1
131.04906	0.3
133.06488	0.1
135.04393	0.3
137.05949	0.1
145.02820	0.9
147.04356	0.1
147.08124	0.1
149.02367	0.1
149.05974	1.3
151.03894	9.3
151.07492	1.0
152.04257	0.1
153.01819	4.0
153.05418	0.7
154.02188	0.1
157.75986	0.1
159.04356	0.2
159.05513	0.1
163.03877	0.5
165.05460	0.1
167.07063	0.2
168.97285	0.1
169.05048	0.1
171.02899	0.9
177.05470	2.2
181.05025	0.1
187.03897	0.2
189.05299	0.1
195.06519	4.6
196.06903	0.1
203.07036	0.2
213.07542	0.2
225.05368	0.4
229.04848	0.3
243.06497	0.2
247.06035	0.2
253.04883	0.1
270.05243	0.1
271.05981	100.0
272.06302	2.3
283.05902	0.2
297.07397	0.1
311.05081	0.1
313.07065	0.5
321.09698	0.1
339.10614	0.4
349.07220	0.1
351.04834	0.1
357.11856	0.2
377.06461	0.2
379.08029	0.1
415.10120	0.2
433.11240	3.3
434.11517	0.1
459.13004	0.5
539.11829	0.2
557.12988	0.6
565.13025	0.2
583.17883	0.4
591.14545	0.1
609.08008	0.1
609.15918	0.9
627.16864	1.8
774.49457	0.1
789.19598	0.4
789.43658	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	789.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.1
55.05516	0.1
61.02906	0.1
64.49105	0.1
65.03941	0.2
67.01852	0.5
67.05493	0.4
68.99787	0.5
69.03433	0.9
71.01353	0.1
71.04999	0.2
77.03929	0.1
79.05486	0.8
81.03436	0.5
81.07053	0.3
85.02909	0.7
89.03847	0.1
91.05474	0.8
93.07037	0.7
95.04967	6.9
95.08596	0.3
97.02888	1.5
97.06542	0.1
99.04477	0.2
103.05443	0.8
105.04502	0.3
105.07026	0.4
107.04953	5.8
107.08573	0.1
109.02879	3.7
109.06516	0.6
109.10181	0.1
109.91772	0.1
119.04935	1.3
121.02872	1.4
121.06510	1.3
121.10095	0.1
123.04428	1.3
125.02354	4.2
125.05943	0.4
127.03890	0.7
128.06140	0.1
129.01770	0.1
131.04922	0.6
133.02811	0.1
133.06471	0.1
133.10159	0.1
135.04428	1.1
137.05971	0.2
137.09627	0.1
145.02841	1.6
145.06497	0.2
147.04396	0.1
149.02386	0.2
149.05971	2.1
151.03902	9.6
152.04253	0.1
153.01826	5.3
153.05449	0.9
157.06509	0.1
159.04391	0.4
161.06033	0.1
162.60487	0.1
163.03897	1.2
165.09125	0.1
167.03447	0.2
167.07005	0.4
169.06410	0.1
171.02898	1.3
173.05980	0.2
175.03857	0.2
175.07523	0.1
177.05472	3.2
179.03293	0.1
181.04950	0.2
185.05957	0.1
187.03880	0.2
189.05307	0.1
195.06517	4.1
197.05951	0.1
201.05513	0.1
203.07045	0.7
213.07617	0.2
215.07127	0.2
225.05415	0.9
229.04944	0.5
231.06459	0.1
233.08110	0.1
243.06398	0.2
247.06131	0.1
251.09181	0.5
271.05994	100.0
272.06317	2.1
273.07562	0.1
283.05984	0.4
287.05255	0.2
295.05920	0.2
297.04413	0.1
297.07306	0.5
301.07120	0.2
307.05667	0.1
313.07172	0.1
321.09958	0.5
333.07672	0.1
339.10727	0.9
357.11740	0.9
377.06439	0.3
415.09955	0.2
433.11273	1.8
447.10806	0.5
459.12717	0.2
465.11725	1.2
557.12695	0.3
583.18170	0.1
585.33429	0.1
609.15759	0.4
627.16998	2.2
628.17377	0.1
658.61761	0.1
788.41309	0.1
789.21039	0.3
789.32941	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	789.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.2
57.03416	0.2
65.03936	0.2
67.01868	0.5
67.05486	0.5
68.99770	0.7
69.03424	1.1
69.07058	0.1
70.06598	0.1
71.01366	0.2
71.04989	0.2
77.03927	0.2
79.05496	0.8
81.03414	0.6
81.07049	0.4
83.04965	0.2
85.02903	0.8
91.05456	0.9
93.07040	0.7
95.04962	7.0
95.08597	0.1
97.02885	1.6
98.23460	0.3
103.05453	0.7
105.04481	0.3
105.07014	0.3
107.01276	0.1
107.04945	5.7
107.08630	0.1
109.02869	3.7
109.06518	0.5
111.00787	0.1
114.02903	0.1
115.05405	0.1
119.04919	1.5
121.02847	1.2
121.06508	1.3
123.04413	1.4
125.01424	0.2
125.02344	4.2
125.05991	0.6
125.07345	0.1
127.03872	0.6
129.01826	0.2
131.04915	0.5
133.02829	0.2
133.06493	0.1
135.04398	1.1
136.78955	0.1
137.05933	0.3
137.09512	0.1
145.02831	1.5
145.04886	0.1
145.06421	0.1
147.04356	0.4
149.02319	0.3
149.05971	2.1
149.07153	0.1
151.03893	9.6
151.07500	0.4
153.01808	5.0
153.05428	0.8
159.04381	0.4
161.05983	0.2
163.03882	1.1
163.07610	0.2
165.05473	0.2
165.09111	0.2
167.03406	0.1
167.07036	0.3
171.02875	1.2
173.05998	0.1
175.03882	0.1
175.07474	0.1
177.05464	2.9
179.07025	0.1
187.03799	0.1
191.07112	0.1
195.06505	4.8
197.08073	0.3
203.07056	0.6
209.07924	0.2
213.07463	0.2
225.05437	0.8
229.04985	0.5
233.07993	0.1
243.06419	0.2
247.05956	0.2
251.09113	0.4
271.05975	100.0
272.06323	2.7
273.06604	0.3
283.05939	0.4
287.05432	0.3
291.91632	0.1
295.05743	0.1
297.07581	0.6
307.05887	0.2
309.07278	0.1
313.07050	0.1
321.09735	0.5
339.10684	0.7
357.11749	0.7
377.06674	0.4
415.09897	0.2
433.11282	1.9
434.11230	0.1
439.45465	0.1
447.10577	0.5
459.12949	0.2
465.11832	1.1
478.63019	0.1
555.50122	0.1
557.12555	0.4
609.16223	0.5
627.17023	2.0
691.04510	0.1
696.44299	0.1
789.26031	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05463	0.1
57.03427	0.1
63.02375	0.2
67.05503	0.2
69.03423	0.9
69.07054	0.3
70.93756	0.1
71.04978	0.2
73.08504	0.1
74.05939	0.1
77.03934	0.1
79.05476	0.7
81.02959	0.1
81.03419	1.9
81.07053	0.8
83.04982	0.2
85.02914	1.3
89.03913	2.8
91.05478	0.3
93.07043	0.9
95.04983	0.5
95.08607	1.0
97.02885	0.5
97.06515	0.4
99.04481	0.6
105.07014	0.5
107.04956	1.2
107.08572	0.4
109.02872	1.1
109.06528	0.6
111.08086	0.5
113.06061	0.1
117.02565	0.2
117.03381	4.0
117.07027	0.1
119.04913	0.1
119.08559	0.2
121.06510	1.6
123.04409	0.1
123.11706	0.2
125.05998	0.3
127.03880	0.5
127.07534	0.2
131.04916	0.5
133.06491	0.1
133.10144	0.4
135.04413	9.3
135.08038	0.2
137.05980	0.3
139.07526	0.5
143.07028	0.6
145.02847	9.2
145.10057	0.1
146.03275	0.2
147.11707	0.8
151.11142	0.1
157.08658	0.2
157.10133	0.3
159.06531	0.3
161.13234	0.2
163.03897	100.0
164.04230	1.3
165.05478	0.1
165.12778	0.3
169.12286	0.4
171.11696	0.4
173.09485	0.1
175.11212	0.7
181.04953	3.9
181.10130	0.1
184.07307	0.3
186.05484	0.1
189.12671	0.5
193.12271	0.8
199.11214	0.7
207.13806	0.4
211.13286	0.8
217.12224	2.3
217.14139	0.2
229.14389	0.5
235.13268	3.2
237.11058	0.1
253.14340	7.8
254.14549	0.1
271.15390	2.3
289.07101	0.4
289.16455	4.6
307.08109	1.7
325.09167	13.2
326.09564	0.3
433.18491	0.2
451.19836	0.1
487.14307	0.1
515.88983	0.1
767.63153	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	792.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05463	0.1
57.03427	0.1
63.02375	0.2
67.05503	0.2
69.03423	0.9
69.07054	0.3
70.93756	0.1
71.04978	0.2
73.08504	0.1
74.05939	0.1
77.03934	0.1
79.05476	0.7
81.02959	0.1
81.03419	1.9
81.07053	0.8
83.04982	0.2
85.02914	1.3
89.03913	2.8
91.05478	0.3
93.07043	0.9
95.04983	0.5
95.08607	1.0
97.02885	0.5
97.06515	0.4
99.04481	0.6
105.07014	0.5
107.04956	1.2
107.08572	0.4
109.02872	1.1
109.06528	0.6
111.08086	0.5
113.06061	0.1
117.02565	0.2
117.03381	4.0
117.07027	0.1
119.04913	0.1
119.08559	0.2
121.06510	1.6
123.04409	0.1
123.11706	0.2
125.05998	0.3
127.03880	0.5
127.07534	0.2
131.04916	0.5
133.06491	0.1
133.10144	0.4
135.04413	9.3
135.08038	0.2
137.05980	0.3
139.07526	0.5
143.07028	0.6
145.02847	9.2
145.10057	0.1
146.03275	0.2
147.11707	0.8
151.11142	0.1
157.08658	0.2
157.10133	0.3
159.06531	0.3
161.13234	0.2
163.03897	100.0
164.04230	1.3
165.05478	0.1
165.12778	0.3
169.12286	0.4
171.11696	0.4
173.09485	0.1
175.11212	0.7
181.04953	3.9
181.10130	0.1
184.07307	0.3
186.05484	0.1
189.12671	0.5
193.12271	0.8
199.11214	0.7
207.13806	0.4
211.13286	0.8
217.12224	2.3
217.14139	0.2
229.14389	0.5
235.13268	3.2
237.11058	0.1
253.14340	7.8
254.14549	0.1
271.15390	2.3
289.07101	0.4
289.16455	4.6
307.08109	1.7
325.09167	13.2
326.09564	0.3
433.18491	0.2
451.19836	0.1
487.14307	0.1
515.88983	0.1
767.63153	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	792.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.7
55.05512	11.1
57.03432	1.3
65.03954	1.8
67.05208	1.6
67.05511	18.4
69.03458	2.9
69.07069	6.4
71.04995	1.8
71.44952	1.4
79.05500	11.3
81.03396	5.9
81.07055	17.1
83.04981	3.4
83.08604	4.8
85.02900	4.7
85.06554	1.5
85.10174	1.5
85.89279	1.1
91.05482	10.8
93.07049	7.1
95.04953	5.9
95.08611	7.6
97.06539	3.0
97.10152	2.0
99.04477	1.9
105.07037	6.1
105.07787	1.1
107.04953	5.7
107.08572	4.8
109.06479	1.3
109.10149	4.3
115.05451	1.8
117.07008	2.7
119.08562	4.4
121.06497	1.7
121.10116	3.9
123.08053	1.8
123.11689	1.4
125.09623	1.3
127.11276	1.3
129.07002	3.3
131.04933	1.3
131.08563	3.8
133.10138	3.9
135.11647	2.9
137.06012	2.1
141.07024	2.4
145.10077	3.4
147.11688	2.0
149.09625	4.1
153.01884	7.1
153.06937	1.7
155.08572	2.6
157.06419	1.4
163.03947	1.3
163.11186	3.2
165.06927	2.2
167.07063	1.8
167.08469	2.9
169.06520	2.3
169.10025	1.2
171.08069	1.7
173.05940	2.9
173.09644	3.6
177.05466	1.7
179.08511	2.6
181.04961	1.5
181.06450	4.9
183.08011	3.3
184.07417	1.4
185.05904	3.2
187.03960	1.6
187.07458	1.6
188.00871	1.1
191.08586	3.5
195.08057	5.3
197.05931	7.7
199.03952	6.6
199.07518	1.4
201.05420	2.8
207.08031	4.7
208.08824	1.5
209.06015	3.7
209.09590	3.0
210.06825	1.3
211.07462	9.1
213.05457	4.1
217.04893	1.4
219.08058	3.6
221.05939	2.1
221.09563	3.2
222.06720	2.1
223.07562	8.1
224.08170	1.2
225.05521	6.9
225.09106	2.9
226.06114	1.6
227.06992	3.9
229.05058	1.7
231.08043	3.1
233.09624	2.1
234.06747	3.0
235.07585	13.4
236.08212	4.7
237.05464	6.9
237.09100	5.2
238.06195	1.5
239.07040	7.5
241.04915	6.2
245.09627	2.0
247.07480	7.7
248.08231	1.8
249.05502	10.3
249.09169	6.9
250.06192	2.2
251.06981	8.4
251.10762	2.0
252.59509	1.2
253.04982	4.8
253.08525	1.6
255.06500	4.4
259.07590	2.0
260.08386	1.9
261.09088	6.0
262.06256	3.4
263.07043	12.0
263.10547	1.9
264.07791	2.0
265.04947	7.1
265.08395	3.1
267.06448	3.0
269.28110	1.8
270.28571	1.9
271.07709	1.8
273.09088	2.9
274.06104	1.8
275.06995	6.8
275.10568	2.1
277.05151	1.8
277.08575	4.1
278.13193	1.3
279.06412	3.8
279.10098	1.5
280.07428	1.6
281.08008	1.7
285.08994	1.9
287.05569	2.6
287.10718	3.4
289.08499	3.6
289.11871	1.6
291.06604	2.8
291.10031	1.9
293.08133	2.0
293.15384	3.4
301.12335	2.1
303.10254	1.9
317.15283	1.3
319.13293	2.1
319.16922	4.3
329.15417	2.4
333.18158	1.8
337.14297	3.4
339.15747	1.9
340.37662	1.4
341.14893	1.4
345.14853	3.7
347.16397	8.8
349.14343	2.9
349.18027	2.0
359.16208	3.5
361.14172	2.0
361.18091	2.2
363.16055	6.0
365.17813	1.8
373.14078	2.4
373.18124	2.8
375.15930	6.6
377.17526	3.1
385.18057	2.2
387.15891	4.0
389.17578	3.0
391.15359	14.9
393.16995	4.7
399.15668	1.4
401.17383	2.9
403.15060	6.3
404.15985	2.5
405.16840	8.0
409.16232	1.6
417.16843	3.9
429.24182	1.8
431.25732	4.4
439.22812	3.0
441.24338	2.3
455.26102	1.5
457.23837	3.7
459.25305	3.2
465.24100	2.3
467.21677	2.3
469.23892	1.3
475.24667	4.5
483.25211	4.4
485.22855	9.4
487.24783	4.7
493.23996	2.7
501.26288	7.1
503.24231	30.1
504.24658	1.5
505.25769	1.4
511.24808	22.9
519.27179	2.2
521.25342	92.7
522.25720	4.3
529.25867	100.0
530.25854	4.4
539.26215	3.9
547.26965	76.9
548.27124	5.6
565.19360	1.8
565.27960	32.6
566.28497	1.7
583.28979	8.1
659.28247	1.5
677.29102	2.9
699.92688	1.4
703.31891	2.2
721.31000	2.3
731.84583	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.8
55.05256	1.6
55.05510	25.4
55.42741	0.8
57.03438	18.3
57.07073	4.5
57.63066	0.8
59.61410	0.8
61.02930	5.2
63.53119	0.9
65.03930	3.9
67.05503	100.0
69.03433	1.5
69.07065	24.3
69.23893	2.5
69.24291	2.3
71.04974	2.5
73.02905	0.9
77.03914	1.5
79.05492	63.6
81.03413	1.0
81.07055	88.0
82.07401	0.9
83.04965	1.8
83.08614	9.5
84.19360	0.8
85.02903	3.8
85.06524	2.7
90.01135	0.9
91.03956	1.1
91.05477	37.8
91.06050	1.9
93.07042	64.9
95.04977	8.8
95.08603	67.8
97.02871	2.9
97.06533	4.4
97.10165	3.5
105.04508	4.5
105.07028	26.2
107.08591	35.5
109.06513	2.2
109.10158	26.1
111.08070	1.4
117.07012	10.4
119.08580	21.4
121.10145	26.2
123.08044	2.0
123.11716	8.9
129.07001	1.8
131.08562	16.5
133.10124	16.0
135.11690	16.7
137.09615	1.3
137.13252	3.6
143.08551	2.7
145.10117	11.5
147.11646	10.0
149.13275	10.2
157.10103	1.9
159.11678	9.4
161.13266	6.1
163.11147	1.1
163.14839	2.9
166.97980	1.0
169.10179	1.3
171.11609	2.0
173.13246	7.1
175.14780	3.0
177.16429	1.8
185.13251	1.5
187.14810	3.3
201.16351	1.2
215.17886	1.0
233.22623	1.0
241.19489	2.8
243.21082	3.4
259.20657	4.6
261.22101	13.0
263.23596	1.7
277.22031	0.9
277.58804	0.9
289.26221	0.9
317.24725	1.8
333.24252	4.2
335.25784	64.0
336.26132	2.5
337.27399	6.6
485.62311	0.9
488.54147	0.8
521.43201	1.4
595.47137	8.0
613.48254	7.5
635.32703	1.1
706.41602	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.9
59.04995	3.7
65.03918	1.4
67.05498	2.4
69.03413	3.5
69.20405	5.2
71.01342	3.7
77.03932	2.3
79.05484	17.3
81.03419	6.3
81.07051	3.2
83.01351	0.9
83.04971	2.0
85.02897	3.7
91.05478	8.8
92.87375	0.8
93.03445	0.8
93.07056	7.9
95.04413	1.5
95.04967	19.8
95.08593	1.1
97.02885	3.6
99.04469	0.9
103.03938	1.7
103.05466	18.9
105.03390	1.6
105.04517	3.2
105.07034	4.2
107.04951	82.5
108.05233	1.4
109.02875	48.3
109.06512	7.8
109.07171	1.0
110.03607	0.9
111.04449	6.8
115.05415	1.7
119.04916	3.7
121.02894	0.9
121.06505	24.6
123.04406	5.1
125.02339	5.9
125.05985	3.2
127.03941	4.5
129.03340	3.6
131.04927	19.6
133.02858	2.4
133.06465	3.8
135.04393	7.6
135.08015	1.0
137.05949	3.8
138.62782	0.9
139.03894	76.1
139.07535	1.6
141.05463	1.5
145.02850	2.2
147.04408	3.9
149.02293	0.9
149.05977	39.8
151.03891	23.5
151.07553	1.7
153.05501	8.6
159.03125	1.5
159.04422	28.1
161.05971	3.7
163.03847	5.9
163.07529	1.9
165.05481	64.2
167.03415	0.9
167.07045	17.3
175.03943	2.3
177.05470	75.4
178.05901	1.1
179.07002	3.5
181.05003	1.4
181.08577	4.2
183.25894	0.8
189.05461	100.0
190.05782	1.7
191.07030	43.7
193.08592	2.2
195.04831	1.4
195.06529	17.8
207.06482	10.3
209.08075	94.8
210.08434	1.2
213.07631	1.4
221.07951	1.4
227.09125	28.8
236.08324	0.9
237.07533	3.4
239.08882	1.0
245.10141	5.9
255.08675	1.9
273.96167	0.8
295.08389	1.3
309.99188	0.8
313.09003	1.0
321.09698	2.4
325.10547	2.6
339.10648	10.5
357.12753	3.4
359.10941	1.2
377.12234	2.6
383.13467	1.7
385.12784	5.5
403.13864	11.3
403.34750	0.9
417.15707	6.3
421.15021	10.9
435.16476	6.6
453.17792	1.9
526.47687	0.9
547.17902	2.5
565.19067	5.6
583.19855	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	1.9
67.05505	1.1
69.03441	1.1
71.01350	1.0
71.05015	0.5
79.05491	6.5
79.91463	0.5
81.03418	2.2
81.07076	0.6
85.02900	4.0
91.05457	2.6
93.07044	3.3
95.04965	10.3
95.08610	0.5
97.02878	3.0
99.82325	0.5
103.03951	0.5
103.05473	1.8
105.03399	1.3
105.04517	1.0
107.04949	100.0
108.05267	1.6
109.02885	8.0
109.06513	2.0
111.04420	0.6
116.83367	0.5
120.37554	0.5
121.06503	5.0
123.04419	3.1
125.02346	2.8
125.05984	1.1
127.03896	1.0
131.04919	1.6
133.02832	1.9
135.04395	1.7
137.05977	0.9
139.03862	3.3
145.04968	1.0
149.05980	7.8
151.03902	11.5
153.05434	0.9
159.04375	1.8
165.05470	62.4
166.05800	1.0
167.07034	6.7
168.39304	0.6
177.05458	13.8
181.08554	0.5
183.06529	0.6
191.07109	0.7
195.06508	9.4
204.85855	0.5
209.08080	24.2
210.08456	0.6
216.31255	0.5
227.09126	86.1
228.09456	1.7
318.27759	0.6
343.29282	0.6
389.14359	6.7
473.08389	0.5
657.01373	0.7
763.17938	0.7
789.65704	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.323
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	3.0
67.05512	2.8
69.03421	2.6
69.47322	2.3
75.04491	0.9
75.24377	0.6
77.03959	0.7
78.04712	1.0
79.05486	3.9
81.03407	4.6
81.07063	1.9
82.04173	0.9
85.02899	3.8
85.06540	0.6
89.03913	0.5
91.05483	6.6
93.03394	1.5
93.07040	1.9
95.04963	4.7
97.02888	1.9
97.06516	1.9
100.11246	1.0
100.79574	0.6
103.05470	17.9
105.03384	1.7
105.04516	1.2
105.07031	6.6
106.04183	1.2
107.04250	0.8
107.04956	13.6
107.05669	1.0
107.08578	0.9
108.68440	0.6
109.02864	2.2
109.06528	1.6
109.26064	0.5
110.03651	1.8
111.04409	2.1
115.02357	0.5
115.04718	0.8
115.05459	6.3
117.06999	5.7
118.04153	4.0
119.04933	6.2
119.08527	1.1
121.06485	3.0
122.03638	1.4
123.04419	4.3
123.11706	1.2
124.05204	1.5
125.06020	3.1
127.03889	2.5
129.07001	2.5
130.04100	1.2
131.04929	24.0
131.08546	2.1
132.05733	0.7
133.02858	4.2
133.06496	7.5
133.10141	1.1
134.03683	1.2
135.04434	1.8
135.08041	1.8
137.05966	9.8
138.03117	1.7
139.03908	1.5
139.07573	0.8
140.04668	0.8
141.06952	1.3
143.04935	1.3
144.05719	1.9
145.02951	0.6
145.05212	0.9
145.06483	9.1
146.03612	1.3
147.04410	5.8
147.08049	2.6
147.11688	0.8
148.05182	10.0
149.05991	4.1
151.03923	5.2
151.07539	3.3
152.04666	1.9
153.05487	6.0
155.04898	0.6
155.06020	1.7
155.07127	1.1
156.05702	1.5
157.06494	2.4
159.04359	0.9
159.08003	2.8
160.05199	1.9
161.05980	8.6
163.03944	3.5
163.07538	24.1
164.07970	0.6
165.05472	4.8
165.06848	0.9
165.09109	0.7
166.02664	0.9
167.07037	58.3
169.06454	0.9
171.06581	3.3
171.07738	0.6
173.05995	13.3
173.13298	1.0
174.06648	0.7
175.07558	5.5
176.04697	2.8
177.05463	5.6
178.05887	0.7
179.07042	9.5
179.08469	1.1
181.04953	78.7
181.08427	1.7
182.05302	1.2
183.06520	1.3
187.07520	6.9
189.05487	0.9
189.09052	0.7
190.06253	5.1
191.07027	100.0
192.07408	2.0
193.04953	1.2
193.08629	2.7
195.06508	6.2
195.08057	0.8
201.05457	1.8
201.09042	0.7
202.06216	0.7
203.07025	6.3
205.06650	1.3
205.08592	17.2
207.06448	3.3
207.08238	1.2
207.10184	2.4
209.08098	6.3
215.07059	1.0
217.08572	9.0
219.08127	1.2
219.10045	5.6
221.08029	1.2
223.09674	0.7
225.07399	1.2
227.09073	2.6
229.08453	0.6
231.06447	1.0
233.08072	7.2
234.06598	0.8
235.07448	1.4
235.09598	12.1
236.08261	1.6
237.05667	0.7
237.09224	0.7
239.07089	1.2
239.10478	0.6
245.08057	2.8
247.07405	1.2
247.09680	1.7
248.08145	0.7
249.09027	0.9
249.11115	1.1
250.06328	0.7
252.07747	0.8
257.08121	1.1
259.09744	1.0
263.09155	37.3
264.07544	0.9
265.08328	0.6
265.10733	10.2
267.10141	3.7
269.08099	0.9
271.09537	0.8
277.08530	0.9
279.06653	1.0
279.10049	1.7
281.07968	1.0
287.05569	1.1
291.10022	0.8
292.07349	0.8
293.07816	1.4
295.09540	1.2
297.11154	2.2
299.09100	0.8
307.09488	3.2
308.10068	0.6
309.11371	1.2
311.12399	1.1
313.10699	0.8
322.08426	0.8
322.47223	0.6
325.10840	3.1
327.08386	0.9
327.12326	1.1
329.10236	0.9
329.13855	1.4
330.11157	1.5
331.11670	2.5
331.17133	0.7
335.08905	1.1
337.10617	1.7
339.12207	4.2
344.12311	0.8
353.13928	1.1
355.11633	1.4
357.13358	8.5
367.11798	1.7
369.13162	3.4
371.14777	2.6
381.13281	1.2
383.14810	3.3
385.12790	16.4
387.14532	3.2
389.16000	0.8
399.14389	8.3
401.15924	3.5
413.16080	1.2
417.15421	65.8
418.15634	1.4
443.45328	0.8
547.19739	1.7
549.21210	0.6
579.20776	9.3
583.00293	0.7
621.52722	0.8
771.59766	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	5.1
61.02677	0.8
61.02926	9.6
66.25824	0.8
67.05505	3.0
69.03432	19.7
69.07060	4.4
71.04977	2.4
73.02890	2.6
79.05499	4.3
81.03414	9.2
81.07049	15.8
83.08611	1.6
85.02901	100.0
87.04443	1.2
91.03944	3.9
91.05474	6.9
93.07045	10.3
95.04961	2.4
95.08601	13.5
97.02888	23.3
97.06484	1.5
97.10188	1.1
99.04439	4.0
101.02318	0.9
105.07018	14.1
107.08588	14.9
109.02882	7.6
109.06512	4.6
109.10148	5.2
110.73074	0.8
111.08085	1.1
117.07002	2.1
119.07745	1.4
119.08578	23.3
121.06506	4.5
121.10136	10.2
123.08055	1.9
123.11693	2.4
127.03028	1.8
127.03908	22.0
128.06146	0.9
129.07039	1.7
131.08551	5.9
133.10127	10.6
135.08064	6.4
135.11694	5.5
137.09558	0.9
142.07768	1.2
143.08528	4.5
145.04955	34.1
145.10120	10.8
147.08012	4.5
147.11684	9.3
149.09575	5.0
149.13231	2.9
155.08514	1.5
156.09305	1.8
157.10100	6.9
159.08041	0.9
159.11687	10.2
161.09618	4.3
161.13248	12.9
163.06010	11.2
163.11194	1.2
163.14825	6.7
169.10120	2.2
170.10928	1.8
171.11696	7.6
173.09605	2.0
173.13243	5.3
175.11172	3.4
175.14822	13.2
177.12759	3.4
177.16374	10.3
183.11694	3.0
185.09674	1.4
185.13231	8.3
187.11105	1.6
187.14821	6.8
189.12733	8.3
189.16324	2.0
191.14336	2.3
195.11671	1.9
197.13280	2.5
199.11293	1.1
199.14835	1.9
201.12688	2.5
201.16521	2.1
203.14301	10.2
203.17924	1.5
205.15837	9.4
207.13690	1.6
209.13329	2.1
211.14835	1.3
213.12741	1.2
213.16391	1.7
215.14384	2.0
217.12219	1.8
217.15863	2.1
219.17513	2.2
221.13159	0.9
221.15399	1.5
223.14842	1.2
225.16379	1.3
227.18002	2.3
231.13669	1.1
231.17441	3.2
233.15292	1.2
235.13252	11.6
237.16319	2.2
239.17967	1.3
241.15947	1.0
243.17358	1.6
249.14703	1.6
251.16411	3.7
253.19466	1.1
257.18860	1.2
259.09650	1.1
259.16998	0.9
263.16388	0.9
265.19540	1.1
269.19211	1.3
271.20633	1.8
281.22488	1.3
283.20108	0.8
293.18976	1.6
335.23743	1.0
345.25531	1.0
361.28827	1.3
363.26700	3.7
365.28458	2.1
371.27396	1.4
379.25943	0.9
379.30060	5.9
381.27829	2.5
389.28375	14.7
407.29416	48.0
408.29623	2.6
425.30469	51.6
426.30826	2.7
427.28513	2.6
435.28906	10.5
436.29309	1.0
445.36197	1.0
453.29947	15.3
471.31067	30.5
693.74030	1.1
795.40344	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	795.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	5.2
57.07071	0.6
59.04987	0.4
61.02922	8.9
65.03935	0.4
67.05502	4.5
69.03428	18.7
69.07063	3.7
69.37202	0.3
69.37595	0.6
71.01348	0.7
71.04985	2.0
73.02908	3.7
74.06051	0.2
75.37340	0.2
77.03941	0.4
79.05492	5.3
81.03415	8.4
81.07053	16.6
83.01331	0.6
83.05016	0.5
83.08607	1.7
85.02901	100.0
86.03236	0.7
87.04461	1.8
90.48093	0.2
91.03948	4.2
91.05474	7.7
91.06051	0.5
93.06438	0.5
93.07039	12.1
95.04978	2.0
95.08603	13.3
97.02887	26.3
97.06536	1.0
97.10149	0.9
99.04455	3.7
99.08097	0.2
101.02390	0.9
103.03928	0.9
103.05452	0.5
105.04564	0.4
105.07023	17.3
107.04963	0.9
107.08586	18.7
109.02870	8.9
109.05835	0.4
109.06512	4.1
109.10149	6.2
111.04428	0.3
111.08076	1.2
115.03970	1.1
115.05468	0.5
116.06284	0.3
117.07005	2.5
119.08574	24.9
121.06497	5.2
121.07306	0.3
121.10136	13.4
123.04460	0.3
123.08054	1.9
123.11696	1.9
125.09631	0.5
127.03907	22.3
128.06203	0.9
129.06990	1.6
130.07767	0.5
131.08556	8.0
133.06514	1.1
133.10120	12.3
134.10561	0.3
135.08047	7.6
135.11685	6.9
136.08327	0.2
137.09613	1.3
137.13243	0.6
141.07014	0.8
142.07816	1.5
143.08556	5.9
144.09344	1.3
145.04951	34.6
145.10110	12.0
146.05319	0.3
146.10719	0.2
147.08038	3.9
147.11671	10.1
149.09613	5.6
149.13252	3.7
151.07533	0.4
151.11186	0.8
153.09053	0.3
155.08546	2.5
156.09311	2.4
157.10118	7.5
158.10893	0.5
159.08073	1.5
159.11688	11.4
160.12350	0.3
161.09616	4.7
161.13240	13.1
163.06015	11.8
163.07352	0.5
163.11183	2.5
163.14807	10.1
165.07138	0.3
165.09061	0.3
165.12723	0.5
167.08559	0.8
167.10637	0.5
168.09308	0.5
169.10106	2.5
170.10893	2.1
171.08093	0.5
171.11684	7.9
172.12459	0.2
173.09637	1.9
173.13245	6.1
174.10304	0.3
175.11194	4.2
175.14812	16.3
176.15163	0.3
177.09085	0.2
177.12770	3.8
177.16368	10.7
178.16818	0.2
179.08575	0.3
179.10631	0.5
180.09213	0.3
181.06810	0.2
181.10139	0.9
181.12196	0.3
182.10979	0.4
183.08041	0.3
183.11691	3.2
184.12463	0.2
185.09711	1.3
185.13243	10.4
185.63075	0.2
187.11198	2.5
187.14807	7.9
189.12727	6.6
189.16354	2.9
191.14278	1.8
191.17941	0.5
193.10141	0.7
193.12199	0.3
193.15910	0.8
195.11671	1.9
196.12518	0.5
197.09596	0.4
197.13246	2.7
199.11188	0.9
199.14786	2.3
201.12715	2.5
201.16388	1.9
203.14297	12.5
203.17915	1.4
204.08586	0.2
205.12283	0.3
205.15871	9.4
206.16209	0.3
207.11661	0.8
207.13855	0.9
208.12531	0.6
209.13269	2.0
209.15222	0.4
211.11224	0.6
211.14767	2.1
213.12718	2.9
213.16322	2.4
215.14343	2.9
215.17883	1.5
217.12256	1.1
217.15865	1.7
217.19615	0.2
218.11000	0.2
219.11708	0.5
219.17468	1.7
221.13274	1.0
221.15385	2.1
222.13948	0.3
223.11246	0.5
223.14822	1.6
224.15660	0.3
225.12743	0.5
225.16290	1.8
227.14354	1.4
227.17929	1.8
229.12337	0.3
229.15851	1.1
229.19490	2.1
231.13777	0.9
231.17400	4.7
231.21013	0.4
233.13315	0.3
233.15305	1.1
235.13188	6.4
235.17107	0.4
237.12627	0.3
237.16382	1.3
239.14323	0.8
239.17953	2.1
241.15811	1.0
241.19499	1.8
243.13782	0.3
243.17435	1.2
243.21155	0.3
245.13173	0.3
245.15437	0.6
245.18921	1.3
247.08218	0.3
247.14755	0.3
247.16975	0.5
249.14581	2.5
251.14218	0.3
251.16266	4.7
253.15865	0.6
253.19498	1.6
255.17448	0.6
255.21100	0.6
257.18988	2.0
259.14661	0.4
259.17151	0.4
259.20523	0.4
261.16199	0.3
263.18335	0.3
265.15863	0.7
265.19467	0.8
267.17453	1.7
267.21024	0.9
269.18982	0.8
271.08273	0.3
271.17188	0.2
271.20544	1.9
273.18628	0.4
273.22137	0.5
275.17795	0.6
275.20346	0.4
279.17383	0.4
279.21078	0.9
281.19180	0.4
281.22644	1.0
283.17538	0.3
283.20538	1.1
285.18497	0.7
285.22198	0.7
289.09232	0.4
289.19287	0.3
291.21228	0.5
293.18997	1.7
295.20584	0.5
297.22049	1.1
298.22995	0.3
299.20227	0.5
299.23679	1.7
301.21899	0.5
305.22351	0.3
307.20502	0.2
307.24359	0.3
309.22189	0.5
311.20041	1.2
313.21683	0.3
316.21890	0.3
319.20511	1.2
319.23917	0.3
325.11316	0.6
325.21634	0.3
325.25363	0.3
327.23148	0.4
333.25659	0.3
337.21747	0.7
343.22949	0.4
345.25681	0.8
347.23700	0.5
347.27124	0.4
349.25226	0.5
351.26913	0.6
353.24640	0.3
361.28824	2.8
363.26733	3.1
365.24545	0.5
365.28415	2.3
371.27286	1.7
377.28171	0.3
379.30029	6.0
381.27835	2.9
389.28336	14.8
390.28680	0.7
391.29922	0.6
393.28003	0.4
405.28046	0.3
407.29428	47.4
408.29724	2.1
409.27179	1.8
417.27826	1.4
425.30472	48.9
426.30841	2.1
427.28345	4.4
435.28931	10.9
436.29150	0.5
453.29950	13.3
454.30035	0.5
471.31024	13.7
472.30896	0.5
501.18338	0.3
583.28003	0.4
597.34070	0.4
615.34381	0.3
795.41888	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	0.6
64.22155	0.3
67.05484	0.6
69.07041	1.1
69.37598	1.7
71.08662	0.3
79.05469	0.5
79.29887	0.3
81.07042	1.3
83.08578	0.5
85.06518	0.4
91.05514	0.4
93.07040	0.9
95.08582	1.3
105.06973	0.4
107.08573	0.7
109.06499	2.0
109.10091	0.6
111.08095	0.3
119.08574	0.6
121.10110	0.5
123.08064	12.3
133.10101	0.7
135.04391	0.6
135.31612	0.3
137.09610	0.6
153.01828	2.5
177.05566	0.4
179.14291	8.6
184.07166	0.5
203.03368	2.5
222.40591	0.3
228.04024	0.4
229.04875	2.5
237.36580	0.3
257.04437	48.1
258.04779	1.0
265.41760	0.4
285.03912	16.3
287.05484	100.0
288.05713	1.6
293.21082	7.2
349.27356	15.5
350.27936	1.9
351.28867	2.6
447.09521	3.0
449.10767	11.6
635.32080	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	798.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.3
57.07072	0.9
65.03941	18.0
67.05508	6.7
69.03431	2.1
69.07066	2.3
69.45808	2.8
71.04994	2.2
79.05491	6.1
81.03425	2.9
81.07056	14.8
82.04203	3.6
83.04962	1.3
83.08656	1.0
85.02913	3.2
85.06514	1.3
88.52830	0.7
89.03944	0.8
91.05481	9.9
93.03403	12.8
93.07059	5.0
95.01297	1.2
95.04955	8.2
95.08608	5.1
97.02904	1.5
97.06536	4.3
99.04476	1.2
103.05457	5.4
105.04526	1.5
105.07013	6.8
106.04144	1.1
107.04942	7.9
107.08619	3.1
108.02087	1.5
109.02898	2.6
109.06528	2.8
109.10151	2.0
110.03661	19.6
111.04452	24.7
111.08117	1.2
113.06089	0.9
115.05464	3.7
117.06986	0.9
119.04964	6.7
119.08593	2.2
121.02873	14.0
121.03848	1.4
121.06511	5.2
121.10161	1.8
122.03668	1.2
123.04419	4.4
123.11702	11.5
124.05244	1.9
124.24172	0.9
125.05988	25.4
127.03908	2.0
128.06229	0.9
129.07011	4.9
131.04938	9.0
131.08505	1.6
131.54805	0.9
132.05792	1.0
133.02867	6.1
133.06529	4.5
133.10117	1.6
135.04396	2.8
135.08069	1.4
135.11662	1.0
137.05968	18.5
138.03143	2.3
143.04921	1.0
144.05714	1.4
145.06532	4.2
145.10155	1.5
146.07217	0.9
147.04399	8.0
147.08029	2.1
147.11746	1.0
147.85139	0.9
149.02313	1.2
149.05986	5.1
151.03915	4.0
151.07516	5.4
151.11206	2.9
153.01880	2.5
153.05466	100.0
155.04987	1.1
159.04463	0.9
159.08058	6.6
160.05237	1.5
161.05980	12.1
161.09695	1.0
162.06691	1.8
163.03917	9.7
163.07529	4.9
165.05495	3.2
165.07018	2.6
165.09097	1.4
167.07040	34.6
169.12201	5.5
171.02911	1.1
171.04332	1.1
172.05203	1.7
173.05984	2.1
175.07530	8.8
177.05493	6.0
177.09196	1.6
178.07831	1.6
179.07043	6.2
179.08467	1.4
181.04935	4.0
181.06419	1.8
181.08722	1.0
182.07173	1.1
185.06007	2.5
186.06726	5.1
187.07524	10.1
187.13321	2.2
187.14859	1.2
189.05479	2.1
189.07085	1.8
189.09123	3.6
190.07780	1.7
191.07028	5.7
191.08571	2.5
192.09216	1.4
193.06721	1.1
193.08618	2.3
194.07300	2.0
195.08083	3.0
197.05867	1.1
197.08041	1.3
197.09654	1.4
199.07532	3.3
201.05319	1.2
203.07040	3.0
203.08673	2.1
205.06494	2.8
205.08456	1.1
206.07272	2.1
207.08118	3.3
208.08902	2.1
209.06265	1.1
209.08069	3.6
209.09686	2.3
210.06772	2.1
211.07542	1.4
212.08318	1.1
213.09081	1.1
215.06960	7.8
216.07820	4.6
217.08585	2.2
217.12230	1.4
218.07249	2.3
219.08054	6.9
219.10085	1.5
220.08815	3.6
221.05968	3.7
221.09654	3.9
222.06749	1.3
223.07556	3.4
223.11128	1.2
224.08246	1.0
225.09126	3.8
226.06213	3.1
229.08566	2.2
231.08081	1.4
231.10109	1.1
233.06003	2.3
233.09856	1.9
234.06761	3.4
235.07475	4.4
235.13313	2.8
236.08252	6.0
237.09125	4.3
238.09875	0.9
239.07056	3.9
239.10767	1.5
240.07747	1.2
241.08627	2.6
245.05981	1.7
246.06837	1.2
247.07452	4.2
247.09717	9.8
248.08325	2.0
249.05362	1.5
249.09109	5.2
250.09872	1.8
251.07027	1.4
251.10690	7.5
252.11295	1.5
253.08583	13.0
253.14276	4.5
254.09346	3.7
255.10078	1.1
259.07343	1.3
259.09744	5.3
260.08362	1.2
261.05508	1.0
261.09116	2.8
263.06964	2.6
264.07898	6.7
265.08524	6.8
266.09332	3.2
267.10156	3.2
268.11032	1.5
269.08224	1.1
269.11600	4.5
271.15369	1.0
275.07034	2.7
276.07794	3.4
277.08633	5.9
278.09399	1.5
279.06976	1.5
279.10104	8.7
280.07205	0.8
280.10953	1.8
281.08127	3.1
281.11694	3.5
282.08899	3.0
283.09616	3.8
283.13278	3.3
285.11343	0.9
289.06992	1.2
289.16425	1.9
291.06683	1.1
291.10190	2.2
292.07339	1.7
293.08145	1.8
293.11414	1.2
294.08884	3.3
295.09738	5.1
295.15430	2.8
296.10651	2.0
297.11267	9.5
299.09088	1.2
305.08121	1.1
306.08875	2.0
307.09644	14.0
307.12866	1.5
308.10312	5.1
309.11060	6.9
310.11877	1.1
311.09479	1.5
311.12677	7.1
313.10788	1.7
319.09735	1.7
320.10309	1.2
321.11127	3.5
323.09268	1.0
323.12640	1.4
324.09885	1.7
325.10699	44.3
326.11197	2.9
327.12311	7.9
329.13651	2.2
331.17551	7.0
333.11377	1.3
337.10675	4.5
339.12265	71.2
340.12662	3.8
341.13843	20.7
351.12241	6.8
353.13821	3.5
355.11832	8.1
357.13297	64.6
358.13611	2.1
363.12521	1.3
369.13348	8.5
371.14688	2.5
387.14224	5.0
393.27835	1.1
397.96439	1.0
439.27994	1.0
487.17505	2.2
499.17310	2.0
501.18970	1.6
517.18390	2.0
529.18652	1.1
535.19672	11.0
547.19312	1.3
557.14581	0.9
799.30585	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	798.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78949	0.6
65.03940	19.1
67.05503	2.8
68.99773	0.7
79.05482	2.6
81.03402	1.5
81.07058	1.1
82.04201	3.7
85.02895	2.0
91.05478	6.3
93.03407	12.7
93.07030	1.4
93.50322	0.5
95.01321	2.5
95.04975	4.6
97.06514	2.4
98.23512	1.0
103.05454	4.2
105.03362	0.7
105.04494	0.9
105.07011	3.1
106.04165	1.1
107.04962	5.5
107.08590	0.9
108.02068	0.9
109.06527	1.3
110.03657	18.7
111.04443	22.3
115.05441	1.8
117.06998	1.2
119.04947	5.7
119.08553	1.4
121.02867	15.4
121.03829	1.1
121.06483	3.2
122.03638	1.1
123.04421	2.4
124.05197	1.5
125.05987	24.6
127.41904	0.6
128.06201	0.8
129.07002	2.2
130.04141	0.8
131.04927	8.3
132.05754	1.1
133.02855	5.7
133.06473	2.9
133.10112	0.6
134.06024	0.7
135.04390	1.9
135.08092	0.7
135.67966	0.6
136.05182	1.0
137.05977	12.1
138.03146	2.8
141.07007	1.1
144.05634	0.8
145.02795	0.8
145.06485	3.6
145.10155	0.9
146.07266	1.1
147.04414	6.0
147.08035	1.2
149.02354	0.7
149.05981	4.6
151.03888	2.5
151.07524	4.9
153.05461	100.0
154.05782	1.9
154.63196	0.6
155.04944	0.7
159.08069	5.3
160.05254	0.7
161.05984	8.3
161.09518	0.7
162.06723	1.9
163.03894	3.0
163.07573	4.3
165.05484	2.1
165.07037	1.8
166.07809	0.9
167.07034	18.8
167.08432	0.8
171.04433	0.7
172.05208	0.9
173.06017	1.5
173.09665	0.8
175.07542	5.6
177.05472	4.4
178.07738	1.3
179.07027	4.7
179.08490	1.3
181.04933	2.9
181.06483	1.6
182.07202	1.1
183.08095	1.0
184.05113	0.7
185.05981	0.8
187.07523	6.3
188.08292	2.1
189.05446	1.1
189.07033	0.7
189.09138	1.2
190.06221	0.8
190.07790	2.0
191.07047	2.8
191.08543	2.6
193.06668	0.6
193.08604	1.6
194.07332	1.2
195.07991	3.6
196.08780	0.8
197.05949	1.1
197.09586	1.1
199.07553	2.1
201.05328	0.9
202.07739	1.3
203.07013	2.0
203.08673	1.1
204.07742	0.8
205.06686	1.5
205.08580	1.6
206.07349	0.9
207.06398	0.8
207.08076	2.5
208.05254	0.6
208.08847	1.6
209.06216	1.0
209.07878	2.9
209.09779	1.0
210.06790	1.4
211.07533	1.8
212.08107	0.6
213.09169	1.1
215.06982	1.0
216.07784	3.2
217.08603	1.7
218.07268	2.2
219.08089	5.0
220.08832	2.6
221.05983	1.8
221.09637	2.3
222.06723	1.3
223.07510	4.8
223.11127	0.8
224.08214	1.5
225.09123	3.4
226.06203	3.2
226.09909	1.0
227.07007	1.2
231.08047	1.0
233.05940	0.8
234.06793	1.5
235.07535	3.5
236.08296	3.6
237.05443	0.9
237.09106	3.2
238.06317	1.8
238.09926	0.7
239.07043	6.2
239.10710	1.6
240.07771	1.3
241.08551	1.2
245.05904	0.8
246.06773	0.9
247.07478	2.8
247.09676	16.0
248.08304	2.0
249.09042	3.8
250.09866	2.2
251.07039	2.4
251.10716	5.3
252.07780	1.5
253.08604	14.3
254.09326	3.9
255.10254	0.9
261.05362	1.3
261.09201	1.5
262.06107	0.7
263.06989	2.4
264.07849	3.4
265.08612	4.7
266.09308	2.7
267.06836	0.6
267.10184	4.1
268.10977	0.8
269.08621	1.0
269.11697	6.6
270.08945	1.1
275.06845	1.9
276.07913	1.1
277.08667	2.5
278.09430	1.4
279.06937	1.1
279.10156	4.9
280.07196	0.8
281.08072	2.0
281.11691	2.4
282.08847	4.2
283.09732	3.4
289.08606	1.3
290.06119	0.6
291.06610	0.9
291.10114	1.3
292.07416	0.8
293.08087	2.2
293.11859	0.9
294.08963	2.4
295.09586	4.9
296.10306	1.5
297.11230	10.9
299.09125	0.7
299.12711	0.7
304.07236	0.8
305.08154	1.1
306.08673	0.8
307.09598	7.1
308.10486	1.1
309.07950	0.9
309.11102	3.7
310.11966	0.7
311.09357	1.4
311.12869	2.4
313.10648	1.9
313.14401	0.7
319.09775	1.5
321.11304	2.0
323.09369	0.8
323.12720	1.4
324.09799	0.9
325.10684	59.5
326.11380	3.8
327.12314	7.6
329.13907	2.9
337.10620	3.7
338.11313	0.8
339.12280	28.7
340.12878	1.0
341.13803	11.1
351.12259	4.6
352.13068	0.7
353.13821	2.3
355.11707	8.1
356.12488	0.9
357.13300	81.0
358.13620	2.5
369.13348	7.4
371.14795	1.1
383.14871	1.3
387.14377	6.8
487.17099	1.3
499.17401	1.2
505.18927	0.8
517.18408	1.5
535.19635	10.9
543.20752	0.7
547.19666	1.4
798.31873	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	799.262
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45811	0.3
69.03430	0.3
71.44075	0.3
72.27091	0.3
85.02920	0.3
89.74794	0.3
98.97618	0.3
107.04960	0.9
108.34393	0.3
163.03879	1.5
179.03137	4.7
181.05023	0.5
185.04291	0.5
217.04712	1.0
224.51628	0.3
231.06334	0.5
246.07643	0.3
249.07335	13.7
255.08400	5.4
255.11014	0.5
280.13486	0.3
285.27682	0.3
300.95596	0.3
315.13382	2.6
330.11420	0.8
350.32288	0.3
411.12595	100.0
412.12881	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	802.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	14.3
57.87241	0.8
61.02917	2.0
62.05535	0.8
62.05888	0.8
67.05501	4.4
69.03430	3.9
69.07069	21.5
71.04991	1.1
71.08642	11.8
79.05103	1.0
79.05503	3.9
81.03439	1.4
81.06580	1.0
81.07058	15.1
82.88804	0.8
83.08620	25.7
85.02902	26.5
85.10179	8.3
89.20352	0.9
91.03949	1.1
91.05471	10.4
93.07047	9.0
95.08602	14.1
97.02908	5.2
97.10162	8.7
99.04470	1.2
99.11766	0.9
103.34171	0.8
105.07028	16.5
107.08591	8.9
109.02892	2.1
109.10158	10.2
111.08069	8.5
111.11726	3.6
117.07043	2.5
119.08572	9.9
121.10144	6.1
123.11707	6.6
125.13212	0.9
127.03915	5.2
129.07021	1.4
131.08546	6.8
133.10121	23.1
135.11700	6.3
137.09688	1.1
137.13277	2.5
139.14845	6.8
143.08569	3.6
145.04973	12.1
145.08995	1.2
145.10121	23.7
147.11681	13.1
149.13226	4.2
155.08549	1.1
157.10124	3.4
159.11687	11.7
161.13248	6.5
163.06026	6.3
163.14793	1.5
165.09145	1.7
165.16479	0.9
171.11670	3.7
173.13264	3.2
175.11224	1.7
175.14833	3.3
177.09172	1.1
179.10721	2.9
183.11667	1.8
185.13271	3.2
187.14845	2.4
189.09122	3.5
189.16338	1.7
191.10716	2.9
193.12236	14.6
197.13243	2.5
199.14839	3.4
199.46625	0.8
201.16425	2.3
203.18002	1.3
205.12239	1.5
211.14816	2.5
213.16426	1.9
217.19298	1.0
219.13925	1.2
219.21129	1.9
220.09383	0.9
225.16377	2.1
227.17668	1.2
231.13805	1.6
239.17915	6.0
241.19469	7.3
245.15372	2.6
251.18228	1.0
253.19672	1.0
255.21150	1.4
259.17004	1.4
267.21054	2.4
269.22729	2.7
271.16998	3.4
271.24252	0.9
273.18512	1.0
273.25848	2.0
278.70294	1.0
281.22638	2.7
285.18451	10.3
287.20007	9.3
295.24277	2.3
299.20062	1.5
299.27502	0.9
301.21625	2.8
313.21628	3.1
315.23010	1.1
325.11380	2.9
327.23172	6.5
333.27893	13.8
341.24777	3.8
351.93793	1.0
355.26508	1.3
379.33524	8.9
383.33228	3.4
389.31982	1.6
407.32999	9.7
425.34122	100.0
426.34354	5.6
443.35172	24.8
444.35675	1.2
633.55737	1.0
728.58258	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04741	0.1
59.04996	0.7
59.08088	0.1
67.01865	0.3
67.05502	0.3
68.99803	0.3
69.03417	0.5
69.87896	0.3
71.01352	0.2
79.05494	0.7
81.03415	0.5
81.07056	0.2
83.04964	0.3
85.02912	0.4
88.08375	0.1
91.05481	0.6
93.07036	0.3
94.04219	0.1
95.04969	1.1
95.08611	0.2
97.02875	0.4
103.05467	0.6
105.03370	0.2
105.04498	0.2
107.04949	2.7
107.08574	0.1
107.23192	0.1
109.02871	2.7
109.06504	0.3
111.04430	0.3
119.04935	1.7
121.02847	0.9
121.06499	0.7
123.03606	0.1
123.04391	0.4
125.02358	0.5
127.03902	0.2
128.38866	0.1
129.01805	0.1
131.04916	0.3
131.05872	0.1
132.63664	0.1
135.04424	0.2
137.05962	0.3
139.03896	4.4
139.04977	0.2
139.07491	0.1
145.02847	0.9
147.04291	0.1
149.05969	1.5
151.03908	1.3
153.01816	4.4
159.04434	0.4
161.05984	0.1
163.03914	0.5
165.05476	7.7
165.09117	0.6
167.07007	0.9
171.02863	0.6
177.05467	3.9
181.08687	0.1
183.06607	0.2
186.09537	0.1
187.03850	0.2
191.07027	0.4
195.06544	0.3
197.05995	0.1
203.07063	0.1
209.08073	5.6
215.06953	0.1
225.05484	0.4
229.04941	0.3
243.06544	0.3
247.05978	0.2
270.05322	0.1
271.05988	100.0
271.47537	0.1
272.06329	2.0
283.05972	0.3
285.07584	0.2
287.05487	0.3
297.04190	0.1
297.07239	0.5
307.06097	0.3
309.07654	0.1
313.07089	0.3
323.05356	0.1
337.07047	0.1
349.06985	0.2
351.05151	0.2
361.06866	0.1
377.06436	0.5
379.07968	0.1
397.08817	0.1
409.09109	0.2
415.10580	0.2
433.11273	4.0
443.35388	0.1
459.12741	1.0
479.13449	0.2
521.09967	0.1
539.11243	0.9
565.13257	0.5
571.14301	0.8
591.14606	0.3
609.15924	2.7
623.17371	0.4
641.18604	2.3
642.18256	0.1
651.16583	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	805.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58437	0.1
64.87294	0.1
65.03947	0.1
67.01860	0.3
67.05500	0.3
68.99785	0.5
69.03429	0.9
70.58316	0.1
71.04989	0.2
77.03929	0.4
79.05482	0.6
81.03408	1.0
81.07061	0.3
83.04971	0.2
85.02911	0.8
86.09686	0.1
89.03876	0.1
89.36908	0.1
91.05487	0.4
93.07049	0.6
95.01385	0.1
95.04964	7.7
97.02892	1.7
97.06483	0.1
99.04466	0.1
101.97553	0.1
103.05457	0.6
105.03423	0.1
105.04509	0.5
105.07042	0.2
107.04948	4.4
109.02867	2.8
109.06505	0.3
111.04407	0.1
117.03362	0.1
119.04848	0.1
121.06498	1.1
123.04429	1.7
125.00040	0.1
125.02348	3.9
125.05957	0.5
127.03893	0.5
131.04947	0.5
131.05910	0.1
133.02753	0.1
133.06453	0.1
135.04411	1.5
137.02336	1.1
145.04977	0.1
147.04359	0.1
149.02342	0.1
149.05966	2.0
151.03899	13.5
151.07492	1.5
152.04230	0.2
153.01816	4.6
153.05414	0.8
159.04433	0.5
161.02316	1.0
163.03897	0.4
167.06976	0.2
171.02876	0.8
175.03914	0.1
177.05457	2.7
179.03334	0.5
184.07338	0.3
189.05548	0.1
194.42508	0.1
195.06517	6.1
197.08162	0.1
199.03958	0.1
203.03337	0.1
213.05664	0.1
213.07567	0.5
219.06487	0.3
231.06303	0.1
241.04922	0.8
245.04352	0.4
263.05457	0.1
269.04343	0.2
286.04828	0.1
287.05475	100.0
288.05807	2.1
295.08154	0.1
299.05438	0.8
311.05414	0.1
313.06998	1.1
321.09967	0.2
323.05417	0.4
325.07080	0.2
329.06494	0.6
339.10565	0.2
357.11737	0.1
365.06293	0.2
367.04395	0.2
375.04669	0.1
393.05865	0.8
395.07581	0.1
407.07748	0.2
431.09561	0.2
437.12592	0.1
445.09158	0.1
449.10764	4.6
450.10294	0.1
463.10004	0.6
475.12219	0.6
481.11154	1.1
529.13361	0.1
555.11523	0.3
573.12268	0.8
581.13086	0.3
599.17230	0.5
625.15479	1.6
643.16528	3.1
644.16626	0.1
805.21619	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.1
61.02913	0.1
64.21663	0.1
64.56680	0.1
65.03928	0.1
67.01859	0.4
67.05497	0.6
68.99454	0.1
68.99786	0.4
69.03433	1.0
69.15621	0.4
71.01356	0.1
71.04987	0.2
77.03903	0.3
79.05495	0.6
81.03413	0.9
81.07048	0.2
83.04967	0.2
85.02910	0.9
86.09689	0.1
89.03920	0.1
91.05468	0.4
93.07050	0.6
95.04964	8.5
97.02892	1.8
97.06496	0.1
98.60690	0.1
99.04424	0.1
103.05461	0.7
105.03387	0.2
105.04504	0.6
105.07022	0.1
107.04951	4.2
108.44944	0.1
109.02870	2.7
109.06496	0.2
111.00833	0.1
111.04415	0.1
121.02842	0.1
121.05614	0.1
121.06498	1.4
123.04424	1.5
124.99974	0.1
125.02346	3.7
125.05978	0.6
127.03898	0.4
129.01816	0.1
131.04903	0.4
133.02824	0.1
133.06447	0.1
135.04404	1.3
137.02325	0.9
145.04942	0.1
145.75296	0.1
147.04408	0.2
149.02303	0.1
149.05971	2.0
151.03896	13.8
151.07491	1.3
152.04185	0.1
153.01813	4.5
153.05452	0.8
154.02142	0.1
154.95837	0.1
155.41891	0.1
159.04411	0.5
161.02318	1.0
163.03847	0.1
167.03380	0.1
167.06964	0.1
169.05013	0.1
171.02910	0.6
173.05971	0.1
174.77164	0.1
177.05460	2.8
179.03372	0.5
184.07329	0.6
189.05473	0.1
195.06512	5.6
201.05588	0.1
203.03377	0.2
213.05428	0.2
213.07573	0.5
213.09280	0.1
219.06548	0.3
221.98552	0.1
241.04918	0.7
245.04391	0.5
257.04507	0.1
257.07721	0.1
269.04349	0.2
286.04410	0.1
287.05475	100.0
288.05814	1.9
295.08136	0.1
299.05457	0.8
311.05481	0.2
313.03531	0.1
313.06992	1.3
321.09787	0.1
323.05447	0.4
325.06955	0.2
329.06503	0.8
337.07153	0.1
339.11020	0.3
349.06982	0.2
353.06400	0.1
357.11801	0.2
363.08194	0.1
365.06296	0.2
375.04874	0.1
389.09845	0.1
393.05881	1.0
395.07721	0.1
407.07730	0.2
413.08487	0.1
419.07574	0.1
431.09503	0.2
437.12238	0.3
445.09213	0.1
449.10770	4.1
463.10034	0.7
475.12119	0.5
481.11322	1.0
529.13257	0.1
540.33923	0.1
555.11371	0.3
573.12299	0.7
581.12646	0.3
599.17377	0.4
607.14429	0.1
625.15472	1.4
643.16571	3.0
644.17010	0.1
805.21466	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.1
60.08153	0.3
65.03929	0.2
67.01866	0.6
67.05504	0.5
68.99795	0.7
69.03426	1.1
69.07040	0.2
70.06596	0.1
71.01355	0.1
71.04986	0.2
71.07376	0.1
77.03915	0.2
79.05494	1.0
80.05817	0.1
81.03425	0.7
81.07044	0.5
83.04970	0.2
85.02891	0.8
86.09704	1.1
87.10041	0.2
89.03903	0.1
91.05483	0.7
93.07055	0.5
95.01341	0.2
95.04964	7.0
95.08588	0.2
97.02883	1.7
97.06534	0.2
98.98443	0.1
99.04430	0.1
103.05454	0.9
104.10751	0.2
105.03403	0.1
105.04473	0.5
105.07004	0.4
107.04952	6.0
107.08566	0.3
109.02874	3.6
109.06511	0.5
109.10161	0.1
111.00795	0.1
111.04417	0.2
115.05505	0.1
117.03394	0.2
117.07022	0.1
119.04940	0.2
119.08625	0.1
121.02867	0.2
121.05715	0.1
121.06508	1.5
123.04433	1.4
125.00002	0.9
125.02347	4.2
125.05971	0.5
127.03887	0.6
129.01872	0.2
131.04927	0.6
133.02843	0.2
133.06480	0.2
135.04413	2.1
135.08041	0.3
137.02350	0.9
137.05939	0.4
139.03867	0.2
145.02852	0.1
145.05029	0.2
145.06477	0.2
147.04420	0.5
149.02315	0.2
149.05963	2.0
151.03897	9.5
151.07523	0.3
152.04248	0.2
153.01813	5.5
153.05453	0.9
153.09074	0.1
159.04440	0.4
161.02333	1.4
161.05972	0.3
163.03908	0.9
164.04196	0.2
165.05415	0.3
165.09076	0.3
167.03464	0.1
167.07025	0.6
171.02881	1.1
173.05989	0.3
175.03777	0.3
177.05464	3.2
177.06976	0.2
179.03485	0.5
181.04913	0.2
184.07339	3.5
185.05963	0.3
185.07671	0.4
191.07065	0.2
193.08578	0.2
195.06516	5.0
201.05519	0.2
203.03285	0.1
203.07106	0.1
205.04709	0.5
211.46124	0.1
213.05557	0.2
213.07581	0.2
217.04959	0.1
219.06528	0.4
233.08122	0.1
241.04941	0.9
245.04437	0.4
251.09132	0.5
259.05930	0.1
263.05432	0.1
269.04318	0.2
271.05981	2.6
272.06342	0.5
273.06793	0.2
286.04553	0.1
287.05478	100.0
288.05823	2.8
289.06042	0.2
295.08099	0.1
299.05478	0.4
303.08368	0.1
311.05496	0.4
313.03778	0.1
313.06958	0.6
321.09732	0.4
323.05353	0.2
329.06473	0.2
339.10797	0.7
357.11746	1.0
393.06018	0.3
431.10172	0.1
437.12387	0.1
449.10764	1.7
463.09998	0.6
475.12079	0.2
481.11230	1.1
503.17502	0.1
573.11865	0.3
579.20679	0.2
599.17480	0.1
625.15448	0.2
643.16571	2.5
644.16449	0.1
711.42291	0.1
714.38385	0.1
805.31592	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.2
60.08164	0.1
61.02923	0.2
65.03946	0.1
67.01863	0.3
67.05511	0.4
68.99780	0.6
69.00095	0.0
69.03429	1.0
71.01370	0.1
71.04986	0.1
71.07352	0.1
73.02913	0.1
77.03935	0.2
79.05489	0.8
81.03414	1.0
81.07053	0.2
83.01340	0.1
83.04987	0.2
85.02907	1.2
86.09703	0.3
87.04498	0.1
89.03921	0.1
91.05466	0.5
93.03410	0.1
93.07045	0.6
95.04966	8.9
95.08598	0.1
96.05312	0.1
97.02892	2.0
97.06538	0.1
99.04482	0.1
103.05463	0.7
105.03389	0.2
105.04510	0.5
105.07022	0.2
107.04951	4.6
108.05300	0.1
109.02875	2.7
109.06510	0.3
111.00820	0.1
111.04469	0.2
117.03374	0.1
119.04926	0.1
121.02880	0.1
121.06499	1.5
123.04427	1.8
124.99966	0.3
125.02351	4.1
125.05978	0.5
127.03899	0.5
129.01872	0.1
131.04945	0.5
133.02844	0.1
133.06503	0.2
135.04413	1.4
137.02348	1.1
137.03374	0.1
137.05882	0.1
139.03958	0.1
145.04985	0.2
147.04414	0.2
149.02324	0.4
149.05975	2.2
149.07191	0.1
151.03899	14.2
151.07497	1.3
152.04233	0.1
153.01817	4.6
153.05450	1.1
157.06433	0.1
159.04460	0.5
161.02336	1.1
161.05963	0.1
163.03905	0.3
165.01761	0.2
165.05518	0.1
167.03427	0.2
167.07037	0.1
169.04955	0.2
171.02913	0.8
171.04379	0.1
173.05917	0.1
175.03905	0.1
177.05461	3.0
179.03389	0.8
179.04793	0.1
181.05034	0.1
184.07350	1.2
185.05986	0.1
185.07658	0.2
187.03995	0.1
189.01762	0.1
189.05473	0.1
195.06514	5.4
197.02406	0.1
199.03906	0.1
201.05507	0.2
203.03409	0.2
207.02910	0.2
213.05560	0.1
213.07613	0.3
219.06494	0.3
231.06514	0.1
241.04938	0.7
245.04422	0.7
247.02299	0.1
259.06155	0.1
263.05432	0.1
269.04373	0.2
286.04721	0.1
287.05478	100.0
288.05804	1.9
289.03516	0.1
295.08109	0.1
299.05478	1.6
300.06271	0.1
311.05289	0.3
313.03458	0.2
313.07019	2.9
321.09918	0.1
323.05469	1.0
324.06088	0.1
325.06894	0.3
329.06506	0.5
337.07047	0.2
339.10779	0.2
349.07074	0.2
353.06418	0.1
357.11792	0.1
363.08395	0.1
365.06390	0.2
365.10428	0.1
367.04208	0.1
367.08160	0.1
375.04935	0.2
375.08871	0.1
376.05911	0.1
377.06534	0.1
383.07684	0.1
389.10123	0.2
393.05908	1.8
394.06787	0.1
395.07425	0.1
399.08636	0.1
401.09985	0.1
407.07526	0.4
411.07047	0.1
413.08701	0.1
417.09570	0.2
419.11331	0.1
427.07657	0.1
431.09680	0.1
437.12442	0.4
445.09137	0.3
449.10782	3.9
450.10675	0.1
463.10184	1.5
475.12210	0.5
481.11249	2.5
482.11560	0.1
529.13422	0.1
555.10883	0.3
573.12372	0.7
581.12964	0.2
599.17395	0.4
607.14087	0.1
625.15466	1.2
643.16534	3.2
644.16791	0.1
805.21423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51436	0.1
65.03946	0.1
67.01859	0.4
67.05496	0.4
68.99455	0.2
68.99767	0.6
69.03425	1.0
69.07057	0.3
69.22736	0.4
71.01357	0.1
71.05000	0.2
77.03909	0.1
79.05493	0.9
81.03413	0.7
81.07068	0.5
83.04983	0.2
83.08630	0.2
85.02914	0.7
91.05489	0.6
93.07034	0.6
95.04967	6.2
95.08615	0.3
97.02891	1.5
97.06506	0.2
97.10159	0.1
98.29922	0.1
99.04469	0.1
103.05457	0.7
105.04525	0.3
105.07011	0.3
105.42052	0.1
107.04954	5.7
107.08566	0.1
109.02876	3.3
109.06535	0.6
109.10147	0.3
111.00833	0.1
111.04426	0.2
117.03395	0.2
119.04954	0.1
121.02860	0.2
121.06506	1.4
121.10122	0.1
123.04420	1.4
123.11682	0.2
125.02351	4.5
125.06021	0.5
127.03892	0.7
129.01761	0.1
131.04959	0.5
133.02837	0.2
133.06407	0.1
135.03453	0.2
135.04413	1.9
137.02354	1.0
137.03363	0.1
137.05962	0.2
137.09549	0.1
137.13231	0.1
145.06503	0.2
147.04370	0.2
149.02333	0.3
149.05975	2.1
151.03900	9.5
152.04266	0.1
153.01820	5.2
153.05424	0.7
159.04431	0.4
161.02319	1.5
161.05946	0.2
163.03957	0.4
165.05511	0.1
165.09105	0.2
167.03438	0.2
167.07010	0.5
171.02887	1.0
173.06049	0.1
173.09505	0.1
175.03731	0.4
177.05467	3.4
179.03424	0.6
179.06970	0.1
181.04936	0.2
184.07332	0.1
189.46889	0.1
191.07008	0.1
195.06519	5.3
197.08170	0.4
198.01826	0.1
201.05414	0.1
203.03366	0.2
203.07039	0.1
205.04750	0.3
213.05537	0.1
213.07538	0.2
218.05670	0.1
219.06444	0.5
233.08231	0.1
239.06918	0.1
241.04982	1.0
245.04443	0.4
251.09097	0.4
269.04382	0.3
270.05167	0.1
271.05923	0.5
272.06360	0.3
273.06976	0.2
276.28024	0.1
285.07275	0.1
286.04599	0.1
287.05481	100.0
288.05826	2.2
294.28848	0.2
295.07925	0.1
299.05618	0.5
303.08560	0.1
311.05460	0.3
313.06979	0.8
321.09958	0.5
323.05472	0.2
325.07028	0.3
329.06491	0.3
339.10818	1.1
357.11746	1.0
385.12582	0.2
393.06140	0.4
397.12375	0.1
399.14096	0.2
425.15338	0.1
431.09625	0.3
437.12439	0.1
445.09033	0.1
449.10809	2.1
463.10004	0.5
475.11737	0.2
481.11218	1.4
573.12134	0.4
625.15454	0.5
643.16309	2.5
805.30817	2.7
806.30853	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	805.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.1
58.95528	0.1
61.66313	0.1
67.01863	0.5
67.05495	0.3
68.99762	0.5
69.03421	0.7
69.07079	0.1
69.23080	0.5
69.35962	0.1
71.01345	0.1
71.04994	0.1
73.02917	0.1
77.03889	0.2
79.05499	0.5
79.67124	0.1
81.03410	0.6
81.07052	0.3
83.04976	0.2
85.02897	0.7
86.09705	0.4
89.03932	0.1
90.69207	0.1
91.05480	0.5
93.07031	0.4
95.04964	5.1
95.08591	0.1
97.02876	1.0
103.05473	0.4
105.04502	0.3
105.07055	0.1
107.04945	3.2
107.05674	0.2
107.08552	0.1
109.02172	0.2
109.02873	2.0
109.06525	0.2
109.10106	0.1
111.00833	0.1
117.03369	0.1
119.04949	0.3
121.06506	1.0
123.04431	1.2
123.11721	0.1
125.00009	0.3
125.02351	3.1
125.05959	0.4
126.02708	0.1
127.03905	0.4
129.01772	0.1
131.04909	0.4
133.02893	0.1
135.04411	1.3
137.02306	0.6
137.05949	0.1
139.03882	0.2
143.74374	0.1
145.04906	0.1
145.06572	0.1
147.04391	0.8
149.05966	1.6
151.03896	10.2
151.07503	1.0
153.01822	4.5
153.05420	0.7
159.04401	0.2
161.02324	0.8
161.05966	0.1
163.03925	0.2
165.01775	0.2
165.05484	0.4
167.07036	0.3
171.02919	0.6
173.05922	0.1
175.03679	0.1
177.05463	2.3
179.03365	0.6
183.02837	0.1
184.07333	1.3
185.07666	0.2
191.03355	0.4
195.06514	4.8
201.05453	0.2
203.03372	0.2
203.07118	0.1
205.04828	0.1
209.04425	0.5
213.05550	0.2
213.07596	0.3
219.06474	0.3
231.06531	0.2
241.04956	0.8
245.04376	0.2
255.06226	0.1
259.05933	0.2
263.05597	0.2
269.04367	0.3
271.06015	0.6
272.06372	0.1
283.05975	0.2
285.07532	0.1
286.04700	0.2
287.05475	100.0
288.02597	0.2
288.05768	2.1
288.08945	0.1
295.08057	0.1
299.05563	0.2
300.05890	0.1
311.05453	0.4
311.09164	0.3
313.07016	0.2
329.06430	0.5
339.10687	0.3
343.08139	0.1
361.09479	0.1
369.82678	0.1
393.05841	0.2
393.10123	0.1
395.07761	0.1
399.13864	0.1
431.11206	0.4
449.10870	3.5
451.23318	0.1
452.23343	0.1
463.13596	0.3
475.11844	0.4
481.14844	0.7
504.89383	0.1
529.13293	0.1
555.11365	0.1
573.12158	0.6
581.12445	0.3
599.17279	0.3
625.15613	0.9
643.16547	1.9
805.18286	0.1
805.29565	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03953	0.1
67.01852	0.5
67.05503	0.4
68.99780	0.5
69.03428	0.2
69.07069	0.3
71.04996	0.1
71.45628	0.1
73.52914	0.1
79.05498	0.5
81.03419	0.7
81.07062	0.5
83.04985	0.1
83.08616	0.2
85.02908	0.2
91.05476	0.8
93.07050	0.4
95.04968	0.4
95.08601	0.4
97.02892	0.1
97.10149	0.2
103.05416	0.1
105.07030	0.4
107.04940	0.3
107.08600	0.2
109.02872	0.3
109.06528	0.1
109.10153	0.2
115.05453	0.2
117.06953	0.1
119.04948	1.4
119.08565	0.2
121.02865	0.8
121.06464	0.1
121.10076	0.1
123.04437	0.2
123.11714	0.1
127.03923	0.2
128.06177	0.1
129.01831	0.2
129.06982	0.3
131.04915	0.2
131.08545	0.2
133.10162	0.2
135.04387	0.1
137.05974	0.1
137.09505	0.1
141.06952	0.3
143.08542	0.1
145.02844	1.2
145.06490	0.1
145.10115	0.2
147.04399	0.2
149.06013	0.2
151.03867	0.2
151.07539	0.1
153.01823	5.2
153.06950	0.2
155.04878	0.1
155.08536	0.1
157.06467	0.2
161.05948	0.4
163.03911	1.6
163.11145	0.2
165.05528	0.1
165.09134	0.4
167.04950	0.1
167.07056	0.6
169.06462	0.2
171.02881	0.9
171.08031	0.1
173.05974	1.8
175.03885	0.2
175.07504	0.2
177.05446	0.2
181.04926	0.3
181.06490	0.4
183.08015	0.1
183.96179	0.1
185.05969	0.3
187.03889	0.2
187.07549	0.6
189.05457	0.2
191.03525	0.1
191.07018	0.1
191.10718	0.1
193.06511	0.1
193.10207	0.1
193.12144	0.2
195.08104	0.2
197.06024	0.6
199.03885	0.1
199.07538	0.5
201.05502	0.7
202.05920	0.1
203.07045	0.6
207.08139	0.2
209.07907	0.1
210.06697	0.1
211.07526	0.3
213.05475	1.3
213.09044	0.3
215.07088	0.4
217.04997	0.8
221.09763	0.1
223.07578	0.1
225.05446	1.3
225.09134	0.2
226.06274	0.3
227.07031	1.3
229.04926	0.7
231.06390	0.1
237.09012	0.1
239.07048	0.3
241.04904	0.1
243.06596	0.6
245.13148	0.1
247.05928	0.2
249.12697	0.2
253.08495	0.2
257.08014	0.1
263.14249	0.1
265.12097	0.2
267.13791	0.8
271.05994	100.0
272.06314	2.3
281.15262	0.4
283.05692	0.1
285.14752	0.1
287.05505	0.7
291.13800	0.8
295.06201	0.1
295.13297	0.2
309.14810	0.8
311.12698	0.4
313.07132	0.4
313.14340	0.4
319.13068	0.4
325.14099	0.1
327.15851	0.6
329.13818	2.0
337.07471	0.1
337.14310	2.0
355.15387	3.5
356.15750	0.2
372.19925	0.1
373.16516	1.2
379.08179	0.2
417.15201	0.1
427.31876	0.1
433.11346	0.6
487.21344	0.1
497.17941	0.1
516.04346	0.1
517.20740	0.7
535.21777	0.1
805.25818	0.4
805.42120	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	805.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00169	0.1
67.01862	0.4
67.05508	0.6
68.99477	0.1
68.99797	0.4
69.03421	0.2
69.07054	0.2
69.25905	0.6
71.04998	0.1
79.05495	0.6
81.03432	0.7
81.07047	0.6
83.04987	0.1
83.08631	0.2
85.02905	0.3
85.06538	0.2
89.09429	0.1
90.63229	0.1
91.05475	0.8
91.57155	0.1
93.07031	0.4
95.04945	0.4
95.08604	0.4
97.02876	0.3
97.06477	0.1
97.10162	0.1
99.04449	0.1
103.05476	0.2
105.07014	0.3
107.04955	0.4
107.08582	0.3
109.02841	0.5
109.06508	0.1
109.10139	0.3
111.00768	0.1
111.08057	0.1
115.05451	0.1
117.07026	0.1
119.04932	1.3
119.08572	0.2
121.02859	0.6
121.10165	0.2
123.04443	0.3
123.11722	0.1
127.03932	0.3
129.01848	0.1
129.06972	0.3
131.04912	0.2
131.08565	0.2
133.10106	0.3
135.04405	0.3
137.05957	0.3
137.09593	0.1
145.02844	1.1
145.06458	0.2
145.10146	0.3
147.04369	0.3
149.05949	0.2
151.03886	0.2
151.07541	0.2
153.01816	4.6
153.07007	0.2
157.06483	0.2
157.10135	0.2
161.05983	0.3
163.03891	1.6
163.11176	0.1
165.05472	0.1
165.09093	0.6
167.07028	0.9
167.38109	0.1
169.06471	0.1
171.02885	0.9
173.04523	0.1
173.05977	1.7
175.03802	0.2
177.05495	0.3
181.04948	0.4
181.06468	0.3
185.05951	0.4
187.03905	0.3
187.07545	0.8
189.05443	0.3
191.07045	0.1
193.08469	0.1
193.12247	0.2
197.05997	0.6
199.07472	0.4
201.05524	0.7
203.07063	0.6
209.06006	0.1
209.07909	0.1
211.07516	0.4
211.13211	0.1
213.05461	1.3
213.08994	0.3
215.07054	0.4
217.04987	0.6
221.05884	0.1
221.13472	0.1
225.05484	1.3
225.09019	0.1
226.06178	0.2
227.06992	1.4
227.09109	0.1
229.04941	0.5
231.06583	0.1
235.07469	0.3
237.08926	0.1
239.07011	0.2
243.06450	0.5
245.13232	0.2
249.12660	0.2
251.10754	0.2
253.08511	0.1
263.14474	0.2
265.12231	0.2
267.11160	0.1
267.13800	0.8
267.96436	0.1
271.05991	100.0
272.06329	2.3
281.15247	0.4
283.05890	0.1
285.14816	0.1
287.05441	0.9
291.13861	0.7
295.13266	0.3
299.05463	0.1
309.14929	0.8
311.12817	0.2
313.07037	0.4
313.14227	0.6
319.13171	0.4
327.15891	0.8
329.13843	2.4
337.14301	1.9
353.31165	0.1
355.15384	3.2
356.15759	0.1
373.16422	1.2
387.14386	0.1
417.15326	0.3
433.11398	0.7
444.35764	0.1
473.17749	0.1
497.17581	0.2
517.20746	0.7
535.21460	0.2
805.25989	0.5
805.42627	0.2
832.68085	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	806.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.5
59.04991	0.1
61.02910	0.1
63.02386	0.3
63.85486	0.1
65.03948	0.3
67.05498	0.5
69.03433	2.6
69.07067	0.4
73.02905	0.2
77.03938	0.4
79.05495	2.8
81.03417	2.3
81.07056	1.0
83.04994	0.1
85.02902	2.1
87.04458	0.8
89.03916	3.1
91.05048	0.1
91.05478	4.1
93.07043	13.5
94.07362	0.1
95.04972	1.8
95.08596	0.4
97.02892	1.9
97.06528	0.2
98.22715	0.4
99.04470	0.3
105.04532	0.8
105.07033	1.4
107.04955	1.3
107.08592	15.9
108.08942	0.2
109.02879	1.2
109.06518	0.7
109.10136	0.2
111.04388	0.2
115.03892	0.9
117.03385	4.3
117.04206	0.3
117.06979	0.2
119.06047	0.4
119.08574	0.5
121.06527	0.2
121.10144	0.4
123.04427	0.4
123.08029	0.1
127.03898	0.6
131.08578	0.2
133.04958	0.8
133.06493	0.1
133.10127	0.4
135.04416	10.2
135.11690	16.6
136.04707	0.2
137.02397	0.2
137.05937	0.2
137.13341	0.2
139.03877	0.1
142.19940	0.1
145.02846	9.5
145.04826	0.2
147.04407	0.2
147.11658	0.1
149.05965	0.2
151.03908	0.4
153.01874	0.1
153.12724	0.2
157.06516	0.2
157.10138	0.1
159.11687	0.4
163.03897	100.0
164.04253	1.4
167.03453	0.2
175.07480	0.2
177.12740	0.2
181.04948	5.0
184.07533	0.1
186.05525	0.2
201.09065	0.2
213.09045	0.3
219.13731	0.1
243.13980	0.1
249.14818	0.1
261.14813	0.2
267.15961	0.2
269.15411	1.1
277.06967	0.4
279.16058	0.2
287.05444	1.0
288.05798	0.5
289.07053	0.2
295.08020	0.2
297.14691	0.6
302.48676	0.1
307.04816	0.2
307.08105	2.4
324.07843	0.1
325.09164	10.8
326.09512	0.2
343.10129	0.4
399.13016	0.2
441.18909	0.3
457.13315	0.2
459.20203	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	1.4
63.19542	0.4
67.05490	3.3
69.03427	1.1
69.07063	3.0
69.13294	1.5
69.13712	1.1
71.01363	1.3
71.04987	4.2
76.18424	0.4
77.03913	1.0
79.05491	11.2
79.05946	0.7
81.03419	1.9
81.07053	19.0
82.07351	0.4
83.08606	0.9
85.02898	3.0
91.05470	6.5
93.07037	10.3
95.04964	17.2
95.08604	6.9
97.02914	2.2
97.06523	1.4
97.10200	0.5
99.08080	1.3
103.03956	1.3
103.05455	2.9
105.03378	1.1
105.04520	2.1
105.07025	11.4
107.04949	100.0
107.08581	8.1
108.05306	1.2
109.02876	9.7
109.06501	2.9
109.10152	8.5
113.09636	0.5
117.06976	0.5
119.08577	19.0
121.06496	7.4
121.10123	2.6
121.84623	0.4
123.04431	4.2
123.08056	0.5
123.11708	4.0
125.02348	3.9
125.06031	1.1
125.09605	0.4
127.03903	1.3
127.11195	8.0
131.04939	2.6
131.08519	0.6
133.02841	3.9
133.10121	6.8
135.04422	2.5
135.11685	16.8
137.05988	1.5
139.03873	4.7
139.07550	0.5
141.05447	0.7
143.10664	0.6
145.04973	0.9
145.10095	0.7
147.11670	6.0
149.05971	8.2
149.07066	0.3
149.13287	2.0
151.03899	17.3
151.11183	0.4
153.01828	0.7
153.05449	1.5
153.12740	2.9
159.04456	1.4
159.11676	0.7
161.13264	2.5
163.03899	0.7
163.14836	0.4
165.05470	63.7
166.05820	1.0
167.07031	7.4
175.14825	0.6
177.05469	11.9
177.06985	0.8
177.16412	0.6
191.07021	0.9
193.05006	1.0
195.06526	9.0
203.17937	18.5
205.19447	0.9
209.08073	18.1
213.07509	0.6
221.18988	33.1
222.19408	0.7
225.07581	1.6
227.09125	53.9
242.15260	0.4
271.05966	6.7
271.08588	0.7
272.06387	3.7
287.05392	0.8
288.06152	0.4
322.04019	0.4
329.65649	0.4
337.14325	0.7
338.14453	0.6
385.31119	0.4
389.14404	1.6
415.24710	0.6
447.27142	0.6
485.90994	0.4
609.32361	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.8
65.03938	1.1
67.01860	3.1
67.05499	3.4
68.99760	2.7
69.03423	6.4
70.60164	0.9
71.01346	1.2
71.04994	1.4
77.03929	1.9
79.05485	7.4
80.85423	0.5
81.03413	5.3
81.07037	2.3
83.04962	1.1
85.02887	6.1
86.09700	0.5
88.02732	0.5
89.03899	0.6
91.05482	4.0
93.07033	5.4
95.01313	0.6
95.04961	78.5
96.05299	0.7
97.02883	12.8
97.06519	1.2
99.04452	0.7
103.03921	0.6
103.05465	6.6
105.03398	1.2
105.04507	3.5
105.07044	2.0
107.04944	44.3
109.02870	27.9
109.03630	1.1
109.06510	2.9
111.00809	0.7
111.04418	1.2
115.03932	0.9
117.03359	1.4
117.07019	0.7
119.04924	1.4
121.02863	1.1
121.06492	12.2
123.03515	0.8
123.04421	15.8
125.02345	34.3
125.05964	4.0
127.03886	2.6
131.04912	3.5
132.90845	0.5
133.02818	2.1
133.06454	0.7
135.04404	7.7
137.02386	1.4
137.05991	4.5
139.03893	1.0
141.06989	0.7
143.93979	0.5
145.02803	3.6
145.04980	0.7
145.06494	1.7
147.04414	1.7
147.07991	0.5
149.02335	2.1
149.05072	0.3
149.05965	19.0
151.03891	100.0
152.04248	2.0
153.01814	39.4
153.05441	9.9
159.04395	3.8
161.05980	0.6
161.09883	0.5
163.03888	26.6
163.07513	1.2
165.01845	6.8
165.05489	2.7
165.06801	0.5
167.03362	1.2
167.07011	1.6
169.06564	0.8
171.02867	13.8
171.04326	1.0
173.05951	1.5
175.03873	1.1
175.07462	0.7
177.01857	1.7
177.05452	27.4
178.05748	0.6
179.03368	11.3
179.06931	0.9
181.04938	0.8
183.02908	3.0
184.07329	0.6
189.01830	1.9
189.05453	0.6
191.03351	6.6
191.07039	0.7
195.02892	9.6
195.06511	59.4
196.06836	1.0
197.04366	0.6
201.05418	1.5
203.03349	0.6
205.04868	1.6
207.02835	1.1
209.04439	4.6
213.05566	0.9
213.07549	6.5
215.03415	0.6
215.06958	0.6
217.04959	1.2
219.02876	2.9
219.06541	0.9
229.04892	1.7
231.02834	1.4
231.06476	1.9
233.04469	0.9
235.02414	0.8
237.05472	0.7
241.04994	2.6
243.02937	1.2
243.06531	0.7
245.04355	0.7
249.03976	0.8
253.09003	0.5
255.06433	0.6
257.07925	1.1
259.06067	0.8
261.03943	3.3
261.06439	0.6
265.04767	0.8
269.04297	0.8
271.05978	1.1
273.03870	2.8
279.05176	0.5
279.08459	0.8
283.05981	2.5
285.07492	1.2
286.22760	0.5
287.05414	4.2
288.05780	1.9
289.07043	36.3
295.08157	0.8
297.09695	1.8
299.05447	1.0
301.07053	4.3
303.08554	2.0
311.05450	6.1
313.07004	2.9
315.05307	0.6
315.08490	3.5
321.09702	1.2
327.08524	3.1
329.06503	5.9
331.08051	5.0
339.10703	3.2
347.07486	3.8
355.08069	2.1
357.11716	1.2
367.07904	0.8
377.10019	0.8
379.08115	1.0
397.08823	2.1
409.09079	2.1
415.10080	2.4
421.12790	0.9
433.11298	4.9
447.10712	5.1
451.13013	1.7
465.05698	0.8
465.11841	15.4
483.06052	1.0
483.12817	17.6
532.34070	0.6
578.09381	0.6
581.32623	0.5
645.17639	1.1
697.42511	0.6
714.14386	0.6
807.27362	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
60.52752	0.4
65.03945	2.3
67.05488	1.4
69.03402	1.0
70.49248	0.4
78.04711	2.5
79.05475	1.8
81.03395	1.2
81.07048	0.9
82.04173	0.4
85.02882	1.7
90.32223	0.4
91.05480	4.4
93.06993	0.9
95.04966	3.5
95.08601	0.9
95.29686	0.4
97.02844	0.7
97.06525	1.0
102.99576	0.4
103.05456	1.6
105.03381	1.0
105.07018	0.9
106.04153	1.1
107.04958	3.4
109.02883	1.6
109.06556	0.5
110.03693	0.6
111.04444	0.8
115.05448	5.6
117.07018	8.8
119.04937	3.7
121.06464	1.3
122.03607	1.1
123.04433	7.0
124.05200	1.8
125.02319	1.2
125.05959	1.0
127.03905	0.7
127.05404	1.4
131.04933	1.6
133.06450	0.5
135.04366	1.1
136.07533	0.6
137.05974	9.9
138.03090	0.8
139.03918	0.4
143.04942	1.0
144.05666	0.7
145.06487	12.8
147.04398	4.6
147.08089	0.5
149.05919	0.8
149.13258	0.4
150.71982	0.4
151.03915	4.9
151.07469	1.3
152.04538	1.5
153.01846	3.5
153.05482	3.5
155.06027	6.5
161.05934	1.3
163.04027	2.1
163.07515	0.7
164.07060	1.4
165.05505	0.9
167.07034	100.0
168.07387	1.3
171.02946	0.6
171.06520	2.4
173.05988	24.5
175.07492	1.1
177.05464	1.7
178.05934	0.4
179.03387	0.6
179.06996	1.1
181.04951	36.9
182.05270	1.1
187.03967	0.5
187.07558	0.6
191.07031	1.0
195.06561	2.0
196.06889	0.8
201.05394	1.0
203.07060	1.5
205.08621	5.5
207.06525	0.6
209.08136	0.5
213.05397	0.5
219.06548	0.6
231.06444	0.9
233.08070	4.8
235.09601	4.1
265.08664	0.9
267.06512	0.5
287.05515	1.8
289.07169	0.9
293.08075	1.0
295.09717	0.7
297.11395	0.7
325.10590	1.3
326.11429	0.6
355.11728	0.7
357.13330	3.7
369.13663	0.7
385.12799	13.2
386.13187	1.0
387.14337	5.0
417.15439	9.2
439.17749	0.4
583.21869	3.2
613.22766	81.9
614.22870	4.4
809.30609	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	809.554
Annotation	Unknow
Peak:m/z	Relative Intensity
66.07556	0.2
69.49179	0.4
69.49564	0.4
81.06993	0.2
98.23506	0.2
100.11012	0.2
118.21574	0.2
119.08521	0.3
121.20735	0.2
163.97159	0.2
169.67389	0.2
187.14812	0.2
206.17325	0.2
218.25386	0.2
335.21906	44.1
336.22308	0.8
395.25577	1.8
439.00504	0.2
497.32364	100.0
498.32626	3.4
538.34924	0.6
809.42273	1.0
843.52325	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	810.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.5
63.02366	0.4
67.05495	0.5
69.03407	0.8
71.45521	0.3
74.22977	0.3
79.05487	0.6
81.03421	3.0
81.07034	0.6
84.92734	0.2
85.02892	1.3
85.93305	0.3
89.03912	2.7
91.05497	0.7
93.07013	0.5
95.04957	0.4
95.08628	0.3
97.02886	0.7
99.04458	0.5
105.07041	0.7
107.04954	1.3
107.08583	0.5
109.02870	1.3
109.10143	0.6
117.03388	3.4
119.08564	0.4
121.10109	0.3
127.03957	0.7
128.23863	0.3
133.10062	0.6
135.04424	9.7
145.02843	7.4
147.04385	1.8
147.11632	0.4
151.05412	0.4
153.01805	1.7
161.13094	0.3
163.03896	100.0
164.04253	1.2
167.07034	0.7
175.14845	0.5
181.04955	6.6
189.16429	2.0
189.44646	0.3
202.93098	0.3
250.14243	0.3
271.24222	1.9
307.08112	3.3
325.09174	15.7
614.23096	0.5
749.91656	0.3
810.44513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82595	0.6
57.03456	0.8
61.02933	0.9
67.05499	1.7
69.03434	2.2
69.07069	2.3
70.57092	0.9
71.04995	1.4
79.05500	2.6
81.03419	1.3
81.07059	7.5
85.02898	11.7
91.03953	0.6
91.05500	2.0
93.07068	3.3
95.04939	1.0
95.08614	4.3
97.02908	2.5
99.04445	0.8
105.07053	4.7
107.08611	4.9
109.02881	1.3
109.06563	0.8
109.10173	2.8
119.08594	4.6
121.10136	3.0
123.11741	1.3
124.13206	0.6
127.03936	2.0
131.08578	0.9
133.10155	2.0
135.11693	5.6
137.06015	0.8
137.09793	0.6
145.04982	3.1
145.10144	1.9
147.11700	2.5
149.13225	1.4
151.03709	2.3
153.01836	1.1
157.10156	0.8
159.11707	2.8
161.13303	3.3
163.03922	1.8
163.06023	1.2
163.07474	0.7
163.14807	1.6
167.07072	5.1
168.07368	2.0
171.11739	1.2
173.13338	1.0
175.03722	1.6
175.14893	1.9
177.12831	0.8
179.03282	0.7
181.05048	1.3
185.13312	2.6
187.14859	2.3
189.12798	2.5
189.16406	0.9
191.14389	0.9
193.08623	1.3
201.03696	9.3
201.05418	0.8
203.05251	12.2
203.06931	1.0
203.14343	1.5
205.04770	0.8
213.12746	0.9
227.17792	1.1
229.19376	0.9
355.15350	0.8
399.21625	0.7
401.23059	1.0
405.28107	1.7
407.24045	24.0
407.28302	1.0
423.28806	3.6
433.27197	1.1
441.29974	1.5
451.28589	1.5
452.42072	0.7
469.30563	3.5
471.27283	2.4
579.27844	4.3
614.23303	1.0
615.23279	1.8
631.31018	1.2
633.32379	10.1
649.31909	2.1
811.36963	100.0
812.37445	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	812.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	1.3
61.02918	1.0
67.05507	0.9
69.03432	2.0
71.01350	1.1
71.45213	0.5
79.05487	6.8
80.04949	0.5
81.03418	2.4
81.07056	1.2
85.02922	3.9
91.05482	3.7
93.07053	2.5
95.04971	11.1
95.08614	0.8
97.02892	2.5
103.03970	0.9
103.05469	2.8
105.03379	1.2
105.04514	1.7
105.07019	1.3
107.04954	100.0
108.05286	0.9
109.02875	8.7
109.06519	2.4
117.06991	0.7
121.06506	5.8
121.20123	0.5
123.04439	3.2
125.02344	3.4
125.05965	1.0
127.03893	1.6
131.04921	3.8
133.02835	3.3
133.06499	1.2
135.04405	2.3
137.05983	3.3
139.03896	3.8
139.07536	0.6
141.05399	1.0
145.04944	1.5
147.04338	0.8
149.05975	9.9
151.02658	0.8
151.03905	16.4
151.07526	0.6
153.05443	1.8
159.04396	1.7
161.05988	1.9
162.74403	0.5
163.03925	1.5
163.07570	1.3
165.05476	62.6
167.07051	11.2
173.05795	0.6
177.05476	17.9
181.04922	1.7
181.08611	0.7
181.55797	0.5
183.06503	0.9
187.68640	0.5
191.07004	0.9
193.08521	0.9
195.06516	8.8
197.08125	1.0
209.08087	22.6
227.09137	71.6
228.09459	0.9
233.38351	0.5
357.13181	1.2
389.14432	6.5
562.15637	0.6
567.18280	0.6
601.82654	0.7
606.10443	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	1.3
61.02918	1.0
67.05507	0.9
69.03432	2.0
71.01350	1.1
71.45213	0.5
79.05487	6.8
80.04949	0.5
81.03418	2.4
81.07056	1.2
85.02922	3.9
91.05482	3.7
93.07053	2.5
95.04971	11.1
95.08614	0.8
97.02892	2.5
103.03970	0.9
103.05469	2.8
105.03379	1.2
105.04514	1.7
105.07019	1.3
107.04954	100.0
108.05286	0.9
109.02875	8.7
109.06519	2.4
117.06991	0.7
121.06506	5.8
121.20123	0.5
123.04439	3.2
125.02344	3.4
125.05965	1.0
127.03893	1.6
131.04921	3.8
133.02835	3.3
133.06499	1.2
135.04405	2.3
137.05983	3.3
139.03896	3.8
139.07536	0.6
141.05399	1.0
145.04944	1.5
147.04338	0.8
149.05975	9.9
151.02658	0.8
151.03905	16.4
151.07526	0.6
153.05443	1.8
159.04396	1.7
161.05988	1.9
162.74403	0.5
163.03925	1.5
163.07570	1.3
165.05476	62.6
167.07051	11.2
173.05795	0.6
177.05476	17.9
181.04922	1.7
181.08611	0.7
181.55797	0.5
183.06503	0.9
187.68640	0.5
191.07004	0.9
193.08521	0.9
195.06516	8.8
197.08125	1.0
209.08087	22.6
227.09137	71.6
228.09459	0.9
233.38351	0.5
357.13181	1.2
389.14432	6.5
562.15637	0.6
567.18280	0.6
601.82654	0.7
606.10443	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.9
61.02920	7.4
67.05497	3.1
69.03430	17.5
69.07068	4.1
70.17812	2.2
73.02911	3.0
74.65876	1.0
79.05488	3.3
81.03421	7.4
81.07054	14.5
83.08605	1.2
85.02906	100.0
85.06470	1.1
87.04482	3.1
87.94835	0.9
91.03951	4.0
91.05468	5.0
92.22536	1.0
93.07036	8.3
95.04964	2.6
95.08601	11.5
97.02894	24.0
97.06523	1.3
97.10149	1.2
98.23386	1.6
99.04455	3.7
105.07040	13.6
107.08593	17.7
109.02886	9.4
109.06527	3.4
109.10162	3.7
111.08114	1.8
111.66234	1.0
115.03954	1.1
117.06986	1.7
119.08585	21.0
121.06518	4.1
121.10143	10.7
123.08062	3.0
123.11705	2.2
125.09652	1.2
127.03925	23.5
129.07036	1.9
131.08569	6.8
133.10115	8.1
135.08070	5.7
135.11670	5.0
143.08551	3.7
145.04965	35.9
145.10123	11.2
147.08025	3.0
147.11691	11.5
149.09641	4.4
149.13263	4.3
156.09393	1.4
157.10150	5.8
159.11697	10.7
161.09633	3.9
161.13249	12.7
163.06036	16.0
163.11209	2.4
163.14801	6.2
169.10112	2.9
170.10866	2.3
171.11720	7.5
173.09590	1.7
173.13246	4.9
175.11160	2.6
175.14801	10.8
177.12776	2.7
177.16370	9.3
183.11716	3.1
185.13264	7.9
186.59341	1.1
187.11192	2.2
187.14836	5.7
189.12755	5.3
189.16402	1.8
191.14365	1.9
195.11671	1.3
197.13200	2.0
199.14767	1.7
201.12793	1.8
201.16408	1.9
203.14285	11.3
203.18016	1.3
205.15880	11.8
207.11624	1.0
209.13303	1.6
211.14792	1.1
213.12851	1.9
213.16408	1.8
215.14319	2.8
217.15901	2.4
219.17499	1.3
221.15309	2.0
223.14725	1.5
225.16277	1.8
227.14325	1.9
227.17932	2.0
229.15688	1.1
229.19484	1.7
231.17413	3.5
235.13237	10.0
243.17418	1.3
249.14824	3.1
251.16435	3.7
253.19507	1.6
255.17424	1.4
257.19049	1.1
281.22699	1.2
283.20706	1.4
293.19003	1.2
297.18869	1.5
299.23669	1.6
311.20050	1.4
319.20642	1.6
325.11380	3.5
347.27475	1.4
361.28885	1.5
363.26797	4.6
365.28406	2.0
371.27512	1.6
379.30173	6.6
381.27695	3.1
389.28326	16.0
407.29453	47.5
408.29611	2.0
409.27264	1.8
417.27814	2.5
425.30496	62.3
426.30765	2.0
427.28375	4.2
435.28998	10.0
453.29837	19.1
454.29828	1.0
471.30997	36.1
681.15161	1.2
697.42694	1.3
812.41345	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	812.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.0
57.07078	0.9
59.05006	1.0
61.02626	0.8
61.02922	8.5
67.05505	2.9
68.41162	0.5
69.03062	1.0
69.03426	17.5
69.07067	3.9
69.59429	2.2
71.04983	2.9
73.02906	3.1
78.90443	0.5
79.05496	3.9
81.03415	8.8
81.07059	8.3
83.01348	0.8
83.04971	0.7
83.08599	1.9
85.02901	100.0
85.06556	1.1
86.03238	1.0
87.04478	1.4
91.03970	3.9
91.05473	4.0
93.06461	0.7
93.07040	8.3
95.04948	0.6
95.08015	1.1
95.08605	16.9
97.02890	32.4
97.06510	1.6
97.10161	0.8
99.04438	3.5
99.08092	2.1
105.07027	11.5
107.08595	14.8
109.02869	8.7
109.10151	11.0
111.08100	0.9
115.03950	1.0
117.06992	1.9
119.08580	23.3
121.10143	17.8
123.08041	1.2
123.11700	8.5
127.03912	25.8
131.08553	4.8
133.10126	20.5
135.08070	0.8
135.11679	6.5
137.09631	1.5
137.13260	0.8
139.05887	0.5
139.07542	0.6
143.08578	2.1
144.06526	1.5
145.04955	41.6
145.10114	11.0
146.10603	0.6
147.11676	12.4
149.09641	1.8
149.13234	5.6
149.14294	0.7
151.07494	0.6
151.11211	1.6
151.14836	1.6
153.09106	1.2
155.08481	0.6
157.10097	3.0
159.11687	9.0
161.09593	0.7
161.13251	9.1
162.07654	1.0
163.03932	0.9
163.06013	12.7
163.07285	0.6
163.11150	4.5
163.14796	6.0
165.12790	1.8
169.10107	1.0
171.11688	3.3
173.13240	8.4
175.11238	1.3
175.14815	10.2
177.12834	1.2
177.16359	6.4
179.14258	0.9
180.08739	1.4
183.11612	0.8
185.13341	2.7
187.14792	12.2
187.16316	1.0
189.12894	0.6
189.16370	14.3
191.14363	1.5
191.17862	2.6
193.15886	7.5
197.13307	1.5
199.14813	4.3
201.16364	13.7
201.18102	0.9
203.14307	1.4
203.17953	13.5
205.15871	29.5
207.17421	0.9
211.14709	0.7
213.16380	3.9
215.14331	0.8
215.17918	9.0
217.15906	3.5
219.17406	5.2
221.15376	0.7
223.14835	1.2
227.17996	1.8
229.15878	0.9
229.19655	1.2
231.17450	2.4
233.15474	0.9
233.19012	1.9
235.16841	3.7
241.19585	1.2
243.21115	2.4
247.17036	1.6
249.18556	1.7
253.19569	0.8
255.21094	0.8
259.16873	5.1
261.18542	3.4
267.21066	0.9
271.08014	1.0
271.20584	0.6
273.18600	1.5
275.20123	0.8
289.09195	1.2
289.21558	1.4
299.20102	0.7
311.23373	0.6
324.12967	1.7
325.11328	1.7
342.13812	0.8
353.24741	1.4
389.32092	2.7
407.33118	32.4
408.33411	0.9
409.34808	1.6
411.32495	1.6
425.34726	5.0
435.32547	20.8
453.33658	65.4
454.34079	2.9
471.34766	27.7
472.34979	1.1
615.38416	0.9
812.44794	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	5.5
57.07059	2.6
61.02924	6.8
67.05491	5.9
69.03428	13.1
69.07067	9.5
73.02927	4.5
75.92444	2.8
79.05482	5.9
81.03423	7.7
81.07051	23.0
83.04975	2.8
83.08600	5.3
85.02905	100.0
85.06558	2.6
91.03935	4.3
91.05459	7.9
93.07047	15.9
95.04982	3.0
95.08613	36.1
97.02890	29.3
97.10145	2.3
99.04478	4.3
105.07033	17.7
107.08588	29.8
109.02877	8.1
109.06528	2.9
109.10162	25.8
111.08099	2.6
119.08585	21.9
119.98844	2.4
121.10141	20.7
123.11687	8.4
127.03933	25.0
127.21742	2.3
131.08534	4.5
133.10127	11.1
135.11685	14.9
137.13272	4.3
139.07544	3.5
143.08528	5.7
145.04956	43.3
145.10136	11.7
147.08072	3.7
147.11679	17.8
149.13258	7.0
151.14827	5.3
157.10120	7.2
159.11649	7.8
161.09634	5.1
161.13254	9.8
163.06065	15.0
163.11198	2.9
163.14812	7.1
169.10086	2.4
171.11668	3.9
173.09637	6.3
173.13322	6.6
175.11098	2.5
175.14824	14.2
177.16347	6.6
187.14828	8.8
189.16360	17.3
191.17931	11.4
191.84843	2.2
199.14879	4.6
201.16370	5.3
203.14304	5.2
203.17905	14.9
205.15790	11.7
211.14844	2.9
215.14337	6.5
215.17848	3.2
217.15875	11.1
219.17329	2.7
225.16350	3.5
231.17517	3.7
235.16942	12.4
236.55222	2.4
239.17900	2.8
241.19339	3.5
261.14859	7.4
263.16415	4.1
267.21143	2.7
293.22678	3.2
311.23630	2.8
315.19504	5.9
325.11475	2.8
340.92087	2.6
389.31973	5.8
397.22171	7.5
407.33060	35.5
425.34250	14.2
435.32504	16.0
453.33627	88.8
471.34613	47.2
489.35492	2.7
545.45453	3.6
556.75012	2.8
812.44507	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	814.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	6.5
57.07070	1.9
59.05005	1.2
59.84247	0.5
61.02921	9.2
67.05499	5.8
69.03426	18.4
69.07068	5.8
69.15889	1.0
69.16301	2.4
71.04992	3.1
73.02911	3.6
79.05497	4.7
81.03414	8.3
81.07047	10.0
83.01340	0.7
83.05002	0.8
83.08603	3.3
85.02900	100.0
85.06532	1.0
86.03220	0.9
87.04470	2.5
91.03952	5.2
91.05465	4.7
93.07047	10.1
95.04975	1.4
95.08601	22.4
96.22800	0.5
97.02888	34.4
97.06531	0.8
97.10132	1.2
98.06018	0.6
99.04425	4.7
99.54250	0.5
101.02386	0.9
103.05443	0.6
105.07021	11.1
107.08583	20.7
109.02884	9.1
109.06507	1.5
109.10153	15.7
111.08096	1.3
115.03947	0.9
117.07053	1.1
119.08569	28.3
121.10138	21.7
123.08064	0.7
123.11695	8.5
127.03907	24.3
131.08578	4.6
133.10121	19.0
135.11685	16.0
137.09578	0.7
137.13248	1.7
139.07465	0.6
143.08551	1.3
144.06587	1.4
145.04951	35.5
145.10109	9.0
147.11673	16.1
149.09558	0.6
149.13249	6.8
151.07521	0.9
151.11182	1.5
151.14804	1.0
153.09129	0.7
153.12743	1.0
157.10095	2.1
159.11691	9.1
161.13255	11.2
162.07648	0.5
162.92159	0.5
163.03897	0.7
163.06009	12.5
163.07387	0.9
163.11180	1.2
163.14804	7.5
165.09210	0.7
165.16379	1.3
171.11674	2.6
173.13231	5.9
174.13951	0.7
175.14816	8.3
177.12856	0.9
177.16376	32.6
180.08731	0.8
183.11671	1.0
185.13295	2.1
187.14807	8.5
189.16371	27.6
191.17960	4.4
193.15967	0.7
195.17421	3.1
197.13358	0.7
199.14890	2.1
201.16374	11.6
203.17943	27.3
204.18143	0.7
205.15880	1.4
205.19548	2.2
207.17427	18.0
213.16341	3.7
215.17914	9.3
217.19490	6.8
219.13741	0.6
219.17432	1.8
221.15431	1.5
221.18993	0.7
225.16328	0.7
227.17923	1.9
229.19572	2.4
231.17358	0.9
231.21136	0.7
233.15411	1.4
233.19148	0.8
235.16992	2.4
239.17857	0.9
241.19557	1.2
243.21008	1.7
247.16978	1.5
249.18567	1.8
255.21030	1.7
257.22644	0.8
259.16959	7.4
261.18469	11.1
261.21030	0.9
267.20944	0.6
271.08084	0.7
271.16849	1.2
273.18564	1.6
281.22418	0.9
283.24091	1.2
287.20105	1.0
289.09317	0.7
293.22690	0.6
295.24213	1.0
297.25626	0.6
299.19928	0.7
301.21545	0.7
309.25854	0.6
315.23349	0.8
321.25793	0.6
324.12979	0.6
325.11356	3.1
327.23151	1.6
329.24777	1.2
339.23230	0.7
341.24597	2.8
343.26324	1.3
353.25058	0.7
355.26285	1.5
367.26129	0.9
381.28128	0.7
391.33521	6.1
409.34634	14.9
427.35675	0.8
437.34116	56.2
438.34454	2.3
454.30023	0.9
455.35175	44.3
456.35437	1.5
473.36203	11.9
599.39026	1.2
617.39801	1.2
814.38599	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.1
58.72924	0.1
59.04998	0.6
59.46539	0.1
60.65581	0.1
61.02900	0.1
67.01859	0.4
67.05495	0.3
68.02618	0.1
68.99458	0.1
68.99767	0.4
69.00089	0.1
69.03413	0.5
69.07067	0.1
69.48963	0.1
69.49372	0.2
71.01350	0.1
77.03945	0.2
78.81820	0.1
79.01872	0.1
79.05502	0.8
81.03410	0.6
81.07056	0.3
83.04973	0.2
85.02901	0.6
89.03918	0.3
91.05479	0.3
91.49978	0.1
93.07056	0.4
95.04968	1.4
95.08591	0.2
97.02891	0.5
97.06516	0.1
103.05450	0.4
105.03374	0.1
105.04514	0.3
107.04949	3.3
107.08596	0.1
109.02872	3.3
109.06519	0.5
109.10133	0.1
111.00751	0.1
111.04434	0.3
117.03339	0.2
119.08595	0.1
121.02884	0.1
121.06505	0.8
121.10143	0.1
123.04421	0.4
125.02364	0.5
127.03902	0.2
129.01808	0.1
131.04912	0.5
133.02805	0.1
135.03468	0.1
135.04417	1.4
135.11687	0.1
137.02353	0.6
137.05991	0.2
139.03896	4.7
139.07578	0.1
141.05464	0.1
145.04919	0.1
149.02245	0.1
149.05974	1.7
151.03899	1.3
153.01817	4.6
159.04436	0.5
161.02289	0.8
163.03880	0.1
165.05469	7.5
165.09103	0.6
166.05829	0.1
167.07034	0.7
171.02884	0.6
177.05461	4.3
179.03363	0.4
182.75134	0.1
183.06526	0.3
191.07031	0.5
195.06396	0.3
201.05417	0.1
203.03458	0.1
205.12247	0.2
209.08080	5.8
210.08449	0.1
213.05414	0.1
219.06487	0.2
241.04874	0.6
245.04329	0.1
258.05206	0.1
259.05807	0.1
263.05554	0.1
269.04199	0.3
269.06927	0.1
286.04654	0.2
287.05475	100.0
288.05811	2.0
295.07999	0.1
299.05588	0.3
301.07059	0.6
311.05597	0.1
313.03745	0.1
313.06900	0.4
323.05478	0.5
325.07059	0.1
329.06378	0.3
337.06735	0.1
339.04849	0.1
339.10864	0.1
349.06949	0.1
353.06638	0.1
353.13388	0.1
365.06546	0.2
367.04352	0.2
371.13467	0.1
393.05933	0.7
413.08398	0.1
425.08533	0.1
431.09494	0.1
436.46252	0.1
449.10764	3.9
475.12320	1.2
495.12662	0.2
530.13336	0.1
555.10815	0.8
581.12689	0.5
587.13867	0.7
607.14471	0.4
625.15454	2.5
626.15979	0.1
639.17078	0.5
657.18091	1.9
658.17889	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	819.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.7
59.04993	1.2
61.02920	2.0
62.27237	0.6
65.03951	1.1
67.01860	0.8
67.05505	1.5
68.99803	2.4
69.03430	4.6
69.07063	1.2
70.37043	1.0
70.37370	1.2
71.04985	0.9
73.49190	0.7
77.03922	0.8
79.05479	3.7
81.03416	4.4
81.07051	3.3
83.01344	0.8
83.05023	0.9
85.02908	7.7
87.04482	0.7
89.03921	2.0
91.05486	8.9
92.99769	0.9
93.07031	2.0
95.04966	10.0
95.08604	1.9
97.02901	6.4
99.04468	1.2
103.05465	2.2
105.04507	0.7
105.07036	1.8
107.04955	6.4
109.02881	6.8
109.06516	1.0
109.10162	1.5
111.04462	0.9
115.05459	2.9
117.03369	3.7
117.07034	0.8
119.04939	8.9
121.02860	1.2
121.06490	3.1
123.00806	0.9
123.04443	4.8
123.11724	1.5
125.02364	4.4
125.06004	0.8
127.03925	2.3
129.03378	1.1
129.06989	1.2
131.04941	3.0
132.05684	0.9
133.02855	1.8
133.06508	2.2
135.04416	9.9
135.11671	0.9
137.02362	5.7
137.05971	2.8
137.09554	0.9
139.03920	5.2
141.01804	2.0
141.06993	2.0
143.04926	3.8
145.02858	7.2
145.04912	1.0
145.06485	2.1
147.04395	17.7
149.02412	3.4
149.05997	5.1
151.03899	13.7
151.07544	0.8
153.01817	19.5
153.05530	0.9
155.04916	2.4
157.02812	1.0
157.06505	2.5
159.04427	2.7
159.07921	0.9
161.02361	2.0
161.05974	5.5
163.03899	51.4
164.04199	0.9
165.01830	48.4
165.05479	15.7
165.09096	7.1
166.09465	1.7
167.03362	1.4
167.07074	1.9
169.06464	1.9
171.02950	1.9
171.04379	8.3
173.05977	1.6
175.03906	8.1
177.01830	1.3
177.05464	9.1
178.99791	1.6
179.03383	5.0
179.07045	1.3
181.04990	1.2
181.06496	0.8
183.02893	18.8
183.04356	1.5
185.02374	0.7
185.05977	4.0
187.03926	2.1
189.01871	2.1
189.05452	30.8
190.99486	0.7
191.03432	1.9
191.07031	1.2
192.07741	0.8
193.04997	1.2
195.06572	3.3
197.00819	2.2
197.06053	3.6
197.07643	0.7
199.03908	9.6
201.05493	1.7
203.03348	1.2
203.07152	1.1
205.04900	2.2
207.02846	1.0
207.06534	2.6
209.08051	4.5
211.03946	1.9
213.05530	3.3
215.03290	1.8
215.12224	0.8
217.04948	12.8
225.05435	3.9
229.01305	8.3
229.04865	7.0
231.02829	1.0
231.06493	2.0
237.05412	1.0
239.03409	4.8
241.04942	2.9
243.06573	2.6
245.04524	3.7
247.02296	6.2
247.06108	2.2
253.04953	12.6
255.06323	1.2
257.00793	6.0
257.04449	10.6
258.05234	3.2
259.06155	1.6
263.03311	1.8
265.05042	1.1
267.02927	2.6
269.04575	1.0
271.06046	6.8
275.01865	6.6
275.05466	2.0
281.04437	28.9
283.06039	0.9
285.03918	2.7
286.04706	18.9
287.05481	80.5
288.05792	1.7
289.03827	1.1
289.07034	28.7
291.02982	1.1
291.26877	1.4
295.05902	0.8
299.05475	28.2
300.05957	1.3
301.07050	80.4
302.07465	2.2
303.05060	1.1
307.05817	0.8
309.03912	30.9
309.27954	1.0
311.05533	1.3
313.03503	1.6
313.07010	25.4
314.07224	1.1
315.05042	1.3
317.06433	1.2
321.07413	1.2
323.05444	6.8
325.07114	4.1
327.05008	24.8
327.08664	1.9
337.07047	1.5
339.05011	0.9
341.06497	18.5
345.05951	1.8
347.09137	1.7
349.07037	2.1
359.07547	7.0
363.08868	1.8
365.06183	3.7
365.10297	3.5
375.04645	1.6
375.08667	3.6
389.10260	2.0
393.05927	30.1
394.06351	2.1
399.08527	2.6
403.08261	4.1
407.07489	5.8
417.09772	11.4
425.08664	13.6
427.08173	1.7
435.10776	7.0
445.09155	31.1
449.12100	6.6
459.10916	0.9
463.10196	34.5
464.10468	1.6
475.11346	1.3
477.11786	100.0
478.11987	4.0
495.12845	53.5
496.13031	2.0
555.11182	1.1
587.13513	2.0
607.14941	1.0
625.15320	1.9
639.16644	2.3
657.18073	23.5
658.18701	0.9
739.69122	0.9
819.26379	3.5
819.40936	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
65.03940	3.4
67.05513	2.7
68.99779	0.6
69.03436	10.8
69.07067	0.7
69.62584	1.1
69.62956	1.2
71.01350	2.4
71.04990	1.3
73.02933	0.6
77.03934	0.7
78.46838	0.5
79.05488	6.2
81.03417	11.3
81.07056	14.8
83.01334	0.9
83.04974	2.0
85.02908	5.7
91.05477	7.0
93.03398	2.6
93.07051	6.8
94.04187	1.1
95.04971	17.7
95.08608	4.7
97.02896	10.4
99.04453	4.1
103.05483	3.6
105.03400	1.5
105.04514	1.1
105.07031	9.9
107.04955	10.5
107.08583	1.9
108.05695	1.0
109.02879	21.2
109.06517	36.6
111.04445	3.0
115.05457	4.4
117.07014	13.6
119.04926	0.8
119.06089	0.7
119.08560	0.8
121.02868	22.3
121.03819	0.8
121.06496	6.6
121.10116	0.7
123.04420	6.9
123.08069	6.7
123.11684	2.0
125.02376	3.6
127.03911	19.9
128.06229	1.2
129.06989	2.0
131.04932	5.9
131.08531	0.9
132.05672	0.6
133.02872	1.4
133.06485	15.1
135.04408	2.3
135.08044	5.0
137.05981	6.8
139.02856	1.2
139.03897	19.7
141.06952	0.7
145.02821	0.6
145.05043	1.9
145.06480	19.3
147.04391	1.9
147.08032	2.1
149.02339	9.0
149.05971	6.3
151.03951	4.2
151.07532	13.0
153.01833	2.4
153.05467	7.1
155.04887	0.9
155.06046	2.1
157.06494	1.6
159.04420	10.3
161.05980	15.1
163.03899	4.2
163.07558	9.4
165.05536	4.0
165.09169	1.7
167.03406	6.5
167.07039	2.4
169.12178	0.7
173.05981	21.2
175.03914	2.3
175.07549	2.3
177.05470	6.1
179.03511	9.2
179.07028	100.0
180.07385	1.2
181.04977	5.8
185.04474	2.7
185.05899	0.7
187.03679	0.8
187.07489	1.1
189.05467	2.8
191.07025	31.9
193.04987	0.8
193.08598	16.5
195.06578	1.4
197.08072	6.3
199.04063	1.0
199.06012	1.9
201.05463	5.6
201.98026	0.6
205.08582	2.7
209.08057	4.1
211.09694	5.3
213.09042	0.7
215.07008	0.7
217.04897	0.8
219.06511	14.8
220.06834	0.7
222.98004	0.7
223.07611	0.7
223.09610	1.4
229.10672	1.8
231.06638	1.2
233.08118	2.5
237.07571	15.4
237.09789	1.1
251.09105	6.0
255.08646	2.5
267.13666	0.8
268.54791	0.5
269.10205	4.3
275.05539	0.8
279.08649	1.1
287.05560	8.5
288.05814	4.9
291.08630	0.9
293.06601	3.4
297.07413	1.3
299.09100	1.1
305.10239	1.0
307.08139	2.5
309.07349	0.7
311.08102	4.2
311.11133	1.1
317.10120	0.9
323.11276	2.0
325.09192	6.6
327.08566	2.4
331.11801	1.2
331.17450	1.5
341.12173	2.3
343.10196	4.1
345.09753	8.7
359.11069	3.5
363.06454	1.1
363.10751	15.4
377.12357	8.1
381.11816	11.9
395.13412	11.0
407.94983	0.6
413.14331	2.6
419.11365	0.8
465.11716	1.5
479.13232	2.4
489.13794	1.8
503.15140	1.7
503.27182	0.7
507.14984	1.6
509.19846	1.6
521.16492	4.6
523.15387	1.4
525.15625	0.9
539.17548	5.5
541.17108	3.2
555.18549	1.6
557.18359	1.4
559.18402	4.9
573.19574	4.8
577.19019	2.1
591.20648	4.9
609.21490	2.0
651.62488	0.6
703.21722	1.2
721.22253	1.0
753.25293	0.9
821.29926	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.2
57.07082	7.7
58.69704	0.9
61.02922	4.2
65.25031	0.8
67.05503	6.0
68.85526	0.9
69.03429	8.3
69.07066	19.8
71.01351	1.1
71.04993	1.8
71.08636	6.1
73.02930	1.4
79.05479	4.6
81.03416	4.3
81.07055	19.0
81.07504	1.5
83.04998	1.9
83.08617	20.8
84.67693	0.8
85.02900	54.0
85.06557	1.5
85.10186	3.2
87.04478	1.6
91.03970	2.5
91.05472	5.2
93.07035	10.8
95.04973	1.5
95.08602	19.3
97.02888	11.9
97.06538	1.6
97.10160	7.3
99.04465	1.9
105.07018	13.1
107.04942	1.0
107.08587	14.5
109.02873	6.8
109.06532	1.8
109.10152	15.0
111.04396	1.0
111.08122	1.1
111.11724	3.3
115.03879	1.1
116.04601	0.8
117.07015	3.2
119.08569	9.8
121.10138	12.6
123.08134	1.0
123.11713	7.3
125.13248	1.4
127.03920	14.1
129.05534	1.6
129.07013	2.8
131.08569	9.1
133.10117	12.2
134.91544	0.8
135.04420	1.2
135.11693	7.0
137.05980	0.8
137.09590	1.0
137.13251	7.3
139.14777	4.6
139.61737	0.9
141.06979	1.1
143.07053	2.2
143.08566	7.1
145.04962	24.7
145.10121	13.5
147.08018	0.9
147.11685	11.7
149.13275	5.4
151.07600	1.0
151.14891	1.4
153.01840	1.9
153.09036	1.1
155.07051	4.5
155.08539	1.6
157.10074	4.3
159.11694	9.0
161.13243	5.0
163.03906	3.4
163.06017	15.2
163.14818	2.3
165.05446	1.3
165.09099	11.0
167.07047	1.6
169.08701	1.0
169.10115	2.9
171.08032	1.8
171.11658	4.3
173.09634	1.4
173.13264	6.1
175.14929	2.3
177.09088	1.1
177.16388	1.2
179.10699	1.9
183.11629	4.8
185.13271	3.8
187.14867	4.0
189.09097	2.4
189.16400	1.7
191.10672	5.0
197.13286	2.4
199.14793	6.2
201.16356	8.0
203.10837	1.2
203.17963	3.4
205.12268	1.8
211.14804	1.6
213.16422	1.0
215.18022	2.2
217.12440	1.4
217.19554	2.8
219.13907	1.0
225.16400	2.5
227.17946	3.0
229.19452	2.6
231.13699	2.3
231.21036	1.8
233.15440	2.2
239.18007	1.1
241.19580	1.5
243.13937	2.1
243.21109	3.3
245.15283	1.5
245.19020	4.1
245.22607	1.2
251.16454	3.1
255.21234	1.1
257.15283	1.9
257.22641	2.0
259.24243	1.6
271.16989	1.0
271.24133	1.3
285.18369	2.9
287.05475	11.2
287.20035	6.2
288.05923	2.0
289.09180	1.5
295.20908	1.2
301.21524	1.6
303.19543	3.1
305.21054	12.5
313.21655	1.4
319.22629	2.2
325.11292	9.1
327.23203	2.1
331.22601	1.8
333.24518	0.9
339.30627	1.8
341.31973	8.0
345.24237	5.7
355.15402	1.5
359.25818	2.4
383.33105	6.6
425.34158	16.3
443.35178	100.0
444.35541	3.7
461.30191	1.6
461.36264	23.6
580.16858	2.7
597.17181	1.1
598.17700	3.3
634.79675	1.1
802.23663	1.1
820.41193	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.4
57.06818	0.7
57.07079	10.6
61.02928	2.8
67.05507	4.3
69.03430	5.7
69.07069	17.9
69.68630	0.5
69.68968	1.4
71.04986	1.0
71.08632	8.6
72.38227	0.4
73.02925	1.2
73.77018	0.4
78.43544	0.3
79.05492	3.3
81.03427	2.4
81.07060	12.1
81.70515	0.4
83.04967	0.7
83.08621	16.1
85.02903	39.4
85.06544	0.7
85.10184	8.0
87.04469	0.9
91.03949	1.4
91.05474	10.0
93.07046	7.9
95.04969	1.6
95.06237	0.4
95.08610	13.4
97.02888	8.5
97.06522	0.7
97.10172	7.0
99.04452	1.6
99.11738	1.5
103.03896	0.6
105.07030	12.0
107.04977	0.7
107.08584	7.2
109.02877	4.3
109.06493	1.0
109.10160	8.4
111.08075	6.2
111.11703	3.1
115.05366	0.5
117.07021	1.6
119.04926	0.9
119.08578	8.0
121.06507	1.1
121.10142	5.1
123.08136	0.5
123.11694	3.6
125.05981	0.6
125.13303	0.8
127.03910	11.6
129.06996	1.1
129.09157	1.4
131.08553	5.3
133.10130	23.0
135.08028	0.6
135.11708	4.4
137.05968	0.4
137.09558	0.9
137.13254	2.5
139.07561	0.8
139.14830	1.8
141.06985	0.9
141.16391	0.7
143.08562	2.2
145.04965	20.8
145.10118	8.2
147.08061	1.0
147.11687	10.1
149.05965	1.1
149.09660	0.7
149.13290	2.8
151.07571	0.6
151.11198	0.7
153.09132	0.9
155.08525	1.2
157.10127	2.5
159.11687	5.2
161.09650	0.8
161.13280	5.5
163.03894	1.4
163.06015	11.1
163.07394	0.4
163.11102	0.8
163.14828	1.6
165.09132	6.2
165.16362	0.6
169.10130	0.9
171.08080	0.5
171.11739	2.2
173.09642	1.6
173.13281	4.0
175.11192	1.9
175.14806	3.4
176.20403	0.4
177.09122	0.7
177.16402	0.8
179.10687	4.1
181.10207	0.5
183.11697	1.9
185.13264	1.8
187.11232	0.6
187.14777	2.6
189.09114	0.9
189.12816	0.6
189.16438	2.4
191.10661	3.0
193.12230	17.8
197.13240	2.0
199.14790	2.5
201.12804	0.7
201.16411	1.8
203.14348	1.1
203.17969	1.2
205.12329	1.4
207.13815	0.9
211.14819	1.4
213.16446	1.0
215.17924	1.2
217.15855	0.5
217.19612	0.6
219.13867	1.1
221.15387	1.6
223.14789	0.5
225.16483	2.0
227.14330	0.5
227.17944	1.3
229.16017	0.5
229.19342	0.6
231.21054	0.6
233.15500	0.9
235.17023	1.1
239.17882	2.2
241.19484	2.3
243.13795	0.6
243.17494	0.6
243.21080	0.6
245.15326	0.6
247.17000	0.8
253.19684	0.5
253.74887	0.5
255.21202	0.8
259.16809	0.8
259.20490	0.5
267.17505	0.9
267.20938	1.0
269.19016	1.0
271.16864	0.7
271.20416	0.6
271.24139	0.5
273.25742	2.8
281.22491	0.6
283.20541	0.5
285.18597	2.1
285.21674	0.5
287.05545	3.9
287.20059	3.5
289.09207	1.1
295.20667	0.9
295.23929	0.6
303.19589	0.8
305.20996	0.5
309.22095	0.6
313.21582	1.5
313.24918	0.6
323.23895	0.5
325.11240	6.3
327.23172	1.8
331.26126	3.5
333.27859	18.3
341.24847	1.0
341.31921	0.5
355.26260	0.6
359.29483	1.0
365.31967	0.9
379.33557	1.7
383.33127	1.6
397.34622	1.8
401.34235	2.1
407.33054	9.7
425.34149	25.6
426.34421	1.0
443.35193	100.0
444.35571	3.8
461.36237	17.9
462.36478	1.1
820.44446	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	821.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.7
58.51787	0.7
59.05001	8.9
61.02932	0.8
65.03954	0.7
67.01869	7.0
67.05519	3.8
68.99792	3.5
69.03431	6.8
69.07062	1.2
71.01353	3.1
71.04996	1.9
73.02935	0.8
77.03934	1.9
79.01847	1.3
79.05495	15.4
81.03418	8.6
81.07066	3.8
83.01360	1.6
83.04992	3.5
85.02907	7.1
85.56403	0.6
87.04463	1.2
89.03927	1.5
91.05478	7.8
93.03411	1.0
93.07053	8.7
94.50769	0.6
95.04971	43.1
95.08604	2.7
96.05299	0.7
97.02895	7.9
97.06531	0.8
99.04453	1.5
103.03943	0.9
103.05463	9.6
105.03387	1.7
105.04521	4.6
105.07001	3.3
107.04958	65.4
107.08614	1.2
109.02879	100.0
109.06522	6.1
109.10173	1.5
110.03194	1.1
111.00768	0.8
111.04441	6.0
115.03921	1.6
117.03349	1.7
117.07045	1.0
119.04957	1.3
119.08619	1.0
121.02881	0.9
121.06510	19.2
121.10107	1.0
123.04434	14.1
123.08015	0.8
125.02358	16.9
125.03209	1.2
125.05988	3.1
127.03916	5.3
129.01834	1.7
131.04922	7.7
131.05919	0.9
133.02840	1.7
133.06516	1.5
133.10071	1.0
135.04413	8.4
135.11699	0.8
137.02356	1.3
137.05980	6.1
137.09615	1.4
137.26971	0.6
139.03902	39.7
139.07555	1.7
141.05421	1.3
145.02884	3.5
145.04947	2.2
145.06532	1.2
147.04422	2.1
147.08090	0.7
147.11705	1.1
149.02347	1.5
149.05978	30.7
149.07184	1.5
151.03908	50.2
151.07573	1.9
153.01826	91.2
153.05391	5.5
154.02112	0.9
157.06598	0.8
159.04416	7.0
161.02374	1.1
161.05917	1.7
163.03903	23.3
163.07494	1.2
164.04271	0.7
165.01872	3.3
165.05479	63.2
165.09125	12.2
166.09447	1.7
167.03401	1.9
167.07045	13.3
167.08472	0.8
171.02901	32.8
172.03140	0.8
173.06003	2.2
173.50897	0.6
175.03963	1.1
177.05470	93.2
178.05846	1.3
179.03401	6.7
179.07033	1.0
181.04967	3.4
181.08546	1.1
183.02888	1.7
183.06503	0.7
185.05948	1.1
187.03871	1.0
187.07521	1.0
189.01811	4.3
189.05487	0.8
191.03404	2.6
191.07037	3.4
195.02882	12.3
195.06526	28.5
197.05965	0.9
201.05487	1.7
203.03487	1.0
203.07104	0.9
204.73274	0.7
205.04880	1.1
207.02859	1.1
207.06525	0.9
209.08087	70.2
210.08525	1.1
211.07509	0.8
213.05437	4.1
213.07550	2.3
215.03345	0.8
219.02853	3.2
219.06387	0.8
225.05414	0.8
227.07051	0.8
227.09103	1.5
231.02878	1.6
239.07028	1.1
241.04982	1.6
243.02914	1.1
247.02440	0.8
247.05989	0.7
249.03966	1.8
261.03970	2.3
265.03482	0.7
269.10248	0.8
271.05991	2.1
279.08594	0.8
287.05502	71.1
288.05829	5.2
289.07059	79.7
290.07394	1.2
301.06680	1.3
303.08609	15.0
311.05615	0.8
311.12903	0.8
313.06946	1.2
315.08636	1.1
321.09665	2.1
325.07083	2.0
327.08533	1.4
327.15671	1.1
331.08163	4.0
337.14392	4.2
339.10764	4.5
345.09555	2.3
355.08102	1.8
355.15317	7.1
361.09149	1.2
369.09586	1.5
371.13174	0.7
383.07510	1.2
392.19415	0.7
395.07370	0.7
397.09070	1.8
411.10678	1.4
417.33414	1.0
427.10062	1.8
429.11862	1.1
433.11264	1.3
435.34619	1.4
443.35184	0.7
447.13007	1.7
449.10620	1.1
451.12311	1.0
465.11774	1.7
497.14178	1.3
545.38049	0.8
583.14008	1.1
609.16528	1.0
821.29156	0.9
821.49011	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.0
61.02910	3.5
67.05508	5.7
68.99802	6.9
69.03429	18.2
69.61922	3.6
69.62270	5.0
71.01356	2.6
75.28544	1.7
77.03936	1.5
79.05511	7.8
81.03392	11.0
81.07073	3.9
83.01345	2.6
83.04974	3.0
85.02905	22.3
89.03926	6.5
91.05487	7.3
91.97203	1.5
93.03388	1.9
93.07049	4.5
95.01360	2.0
95.04982	16.3
95.08605	2.5
97.02892	11.9
98.85895	1.8
103.05468	9.5
105.03417	4.6
105.04512	2.5
105.07035	3.3
107.04977	16.4
107.08588	2.7
109.02882	17.8
109.06506	2.9
111.00762	2.3
111.04449	5.5
114.97701	1.5
115.05511	2.3
117.03371	10.6
117.07010	5.6
119.04929	4.4
119.08577	1.7
121.02889	5.3
121.06471	8.1
123.04415	9.3
125.01514	3.0
125.02351	27.1
125.06024	2.6
127.03930	7.2
129.06969	2.6
131.04910	11.6
131.08508	1.5
133.02858	2.8
133.06490	2.6
135.04407	22.5
135.08072	2.9
137.02347	3.7
137.05959	8.9
138.06442	1.7
139.03897	54.9
139.05025	3.1
141.01793	1.7
141.06952	2.2
143.04993	2.0
143.08548	2.3
145.02861	14.8
145.05109	1.6
145.05373	2.0
145.06500	15.7
147.04439	8.2
147.08011	2.0
149.02351	23.4
149.05949	14.7
151.03900	37.2
151.07558	4.4
153.01808	18.4
153.07059	1.6
155.04903	2.6
155.06024	2.0
157.06519	3.4
159.04428	8.7
163.03902	93.8
164.04248	3.4
165.01833	47.0
165.03166	2.8
165.04073	2.5
165.05486	49.6
167.03436	6.0
167.07005	2.3
171.04414	3.3
173.05980	18.2
175.07571	2.0
177.01942	4.4
177.05450	52.1
178.99875	2.9
179.03391	86.7
181.01295	2.1
181.06522	3.1
183.02911	16.5
183.04408	3.1
185.05952	4.2
187.03917	3.6
187.07526	4.0
189.01836	16.6
189.05496	3.8
191.03392	49.0
191.07014	8.4
191.10706	2.1
195.02863	3.4
195.06625	1.9
197.00859	2.2
197.04507	4.1
197.06102	3.8
199.03911	3.8
199.07556	4.2
201.05482	17.2
203.03345	10.8
205.01353	2.4
205.04968	15.1
207.02869	11.9
209.04375	25.5
209.06046	5.1
209.07880	3.1
213.05487	5.7
215.03394	3.8
215.07094	2.9
217.04958	7.5
219.02969	2.9
219.06589	6.1
221.04419	3.5
225.05504	3.2
227.03473	4.3
227.06990	2.6
229.04967	15.4
231.02881	3.5
231.06537	17.3
233.04482	3.5
235.02406	16.6
237.05493	7.3
239.03378	2.5
241.01311	1.7
241.04938	20.0
243.06577	6.2
243.11552	2.1
245.04471	9.2
255.02805	2.8
255.06528	14.9
257.04507	4.2
257.08060	3.5
259.02438	7.4
259.06012	15.4
261.03891	3.0
265.04968	15.1
267.06503	6.3
269.04507	7.1
271.05978	7.9
272.06650	2.1
273.03961	35.6
273.07489	5.5
277.03455	5.8
283.05972	27.4
285.04077	4.0
285.07559	8.4
287.05453	19.9
288.05893	2.9
289.07019	7.3
293.04471	9.8
299.05490	4.0
301.07019	18.0
303.08661	13.3
303.13501	2.1
305.06586	2.3
311.05487	62.9
311.08868	2.1
313.07062	2.7
315.05121	2.7
315.08438	17.4
323.05087	2.1
325.07016	6.8
327.08612	25.3
329.06567	80.2
329.10172	8.3
330.07016	2.2
335.05493	2.5
339.08459	3.8
341.06689	2.5
341.10339	10.8
343.08105	19.1
347.07608	56.9
349.06665	2.1
353.06619	3.8
355.07996	2.3
361.09198	33.2
367.08090	3.4
371.07419	4.1
377.06271	2.4
377.10413	3.9
385.09207	2.1
391.11877	2.1
395.11368	4.7
409.08942	10.6
419.11444	3.7
423.10736	2.8
427.10318	3.5
429.09647	2.9
447.10760	33.8
451.13977	2.2
453.15460	10.0
455.09497	3.1
461.12369	19.5
465.11804	61.2
473.10599	3.0
479.13379	71.5
487.12286	3.4
489.11896	2.8
491.12616	3.3
497.14417	100.0
498.14771	3.6
503.13495	2.5
505.13446	3.7
507.12485	2.5
509.13086	2.6
521.14386	2.7
591.15411	3.4
641.17902	2.3
659.19525	13.6
821.29535	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	821.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	2.4
61.02918	3.4
65.03940	1.7
66.94598	1.1
67.05506	3.0
68.99786	4.4
69.03426	13.4
71.01353	3.4
77.03916	2.7
79.01826	1.5
79.05505	8.7
81.03416	10.0
81.07038	4.2
83.04970	3.4
85.02907	18.0
86.03262	1.5
87.04441	1.5
89.03910	6.0
89.81763	1.3
91.05476	4.7
93.07030	4.7
93.55815	1.1
95.04963	13.2
95.08589	2.7
97.02913	9.0
99.04409	1.7
103.05449	4.2
105.03378	2.0
105.06998	2.5
107.04965	10.6
107.08585	2.0
109.02880	15.8
109.06476	4.1
111.04434	7.0
115.05444	2.2
117.03391	6.8
117.07003	6.1
119.04957	3.0
120.08073	1.4
121.02861	6.0
121.06514	8.4
123.04420	10.4
125.02319	8.8
127.03906	3.7
129.15839	1.3
131.04958	7.5
131.08551	2.2
133.02841	4.4
133.06548	1.7
135.04402	18.5
137.02345	6.3
137.05962	5.8
139.03896	60.0
141.06958	2.8
143.04890	1.3
145.02852	14.2
145.04910	2.0
145.06490	9.7
147.04393	7.2
148.04761	1.8
149.02339	18.2
149.05951	7.8
151.03903	20.8
151.07530	4.9
153.01826	13.6
153.41066	1.2
155.04866	2.6
157.06436	2.3
159.04431	7.8
159.07994	2.9
161.05931	3.0
163.03897	98.9
163.07567	3.0
164.04298	1.7
165.01836	37.5
165.05472	63.9
165.09094	3.2
167.03333	3.6
167.06979	2.4
169.06471	3.0
171.04430	3.1
173.05977	14.2
175.03947	2.9
175.07623	1.6
177.01855	3.2
177.05476	16.6
179.03387	70.4
179.08533	1.8
181.01270	2.3
181.06488	2.8
183.02908	13.4
183.04375	2.9
185.05963	2.8
187.03952	3.0
187.07550	3.4
188.31693	1.4
189.01772	12.9
189.05412	2.7
191.03378	44.2
191.07016	8.5
191.10664	1.7
195.02841	2.6
197.00853	2.0
197.05966	3.1
199.03833	3.5
201.05460	11.6
203.03383	8.4
205.04924	11.3
205.12369	1.5
207.02841	8.3
208.00409	1.3
209.04414	30.6
209.06250	2.7
209.08101	5.7
213.05428	3.4
213.07568	1.7
215.03346	2.1
215.07057	3.3
217.04982	4.1
219.02861	2.2
219.06406	6.1
221.04422	4.3
227.03418	3.7
227.06999	2.4
229.04951	9.9
231.02855	5.0
231.06473	13.1
233.04379	2.4
235.02356	8.0
237.05452	4.0
239.03427	1.8
241.04921	16.0
243.06505	4.7
243.11278	2.3
245.04453	5.2
245.08083	2.5
253.04799	2.0
255.02734	2.0
255.06517	11.3
257.04410	5.2
259.02414	5.4
259.05997	11.3
261.03741	1.9
265.04993	10.9
267.06473	3.1
269.04434	4.4
269.07889	1.2
271.06024	5.8
273.03918	24.4
273.07474	3.6
277.03482	5.0
277.06863	1.8
283.06015	23.7
285.03903	1.7
285.07529	2.3
285.12216	2.3
287.05533	15.7
288.05899	3.7
289.07056	8.6
293.04578	7.5
299.05414	2.3
301.03940	2.4
301.07016	15.3
303.08563	5.4
303.13498	2.3
309.03683	1.7
311.05463	56.4
315.05084	2.2
315.08557	19.7
323.05331	1.7
325.06995	9.1
327.08646	31.5
329.06543	54.7
329.10007	2.8
330.06543	1.7
335.05450	1.9
339.08652	3.0
341.06525	2.3
341.10229	7.1
343.08102	20.5
347.07611	21.3
349.07010	2.6
353.06497	5.5
361.09167	43.0
365.10046	3.0
367.07922	2.1
367.11810	1.9
371.07321	2.1
377.06186	2.1
377.10236	5.0
385.08914	5.9
391.07690	1.6
395.07385	5.5
395.11295	4.3
403.10147	3.7
409.09164	11.0
419.11655	2.2
420.11417	1.5
427.10223	6.2
429.09616	4.4
447.10712	42.8
455.09540	2.3
461.12491	7.6
465.11807	84.5
466.12238	2.4
469.11374	2.2
471.10211	1.6
473.10709	5.0
477.11218	1.4
479.13364	54.3
479.20276	2.8
480.13412	1.8
483.12537	2.4
487.12320	2.3
489.11826	4.5
497.14420	100.0
498.14566	3.5
505.13263	4.9
507.12704	4.5
509.13480	2.1
521.14270	3.2
539.11536	2.4
545.13977	1.8
564.83185	1.3
573.13342	2.8
575.15210	1.5
586.93201	1.5
591.14551	5.8
609.16266	3.1
623.17462	2.3
627.16626	1.9
641.18542	2.6
659.19415	16.0
821.28979	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	821.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.1
57.07075	2.5
59.04994	0.5
61.02910	0.8
65.03942	0.9
67.01855	3.7
67.05502	7.4
68.99477	0.5
68.99772	2.6
69.03427	7.5
69.07067	11.5
70.07407	0.7
70.57342	0.8
71.01352	0.9
71.04996	1.5
71.08624	1.7
73.02916	0.6
77.03944	1.9
79.05491	9.5
81.03416	5.2
81.07053	23.1
82.07381	1.5
83.01348	0.6
83.04993	0.9
83.08617	6.6
84.02464	0.4
85.02907	11.0
85.06533	1.9
87.04456	1.5
89.03901	0.7
91.05482	5.3
91.97440	0.4
91.98142	0.4
93.07037	9.2
93.07597	0.6
94.07334	0.5
95.01347	0.7
95.04965	74.3
95.08601	18.7
96.05288	0.7
96.08942	1.2
97.02889	13.0
97.06517	1.1
97.10156	4.0
99.04450	1.1
99.08092	1.9
103.05471	5.7
105.03398	0.7
105.04519	4.0
105.07027	2.0
107.04953	41.9
107.08590	7.5
109.02878	24.3
109.03632	0.9
109.06497	2.2
109.10149	13.8
110.10493	1.1
111.00793	0.7
111.04450	0.7
111.08085	1.5
111.11719	5.4
112.12032	0.4
115.03958	2.8
115.05437	0.4
116.38461	0.4
117.03399	1.2
117.06979	0.5
119.04935	1.9
119.08593	0.5
121.02850	2.1
121.05611	0.6
121.06497	10.5
121.07325	0.8
121.10129	3.6
123.04423	14.7
123.11696	8.4
124.12074	1.0
125.02348	29.1
125.05987	4.6
125.13263	3.8
127.03909	3.5
131.04924	3.9
131.05928	0.6
133.02841	1.5
133.04967	1.4
133.06453	0.7
133.39745	0.4
135.04431	5.0
135.11703	2.1
137.05956	3.3
137.09590	0.5
137.13248	6.7
138.13647	0.5
139.03934	1.1
139.14819	1.1
145.02853	1.5
145.04958	3.3
145.06404	0.7
147.04431	1.4
147.11700	0.7
148.04742	0.4
149.02332	1.1
149.05972	20.1
149.13246	9.1
150.13600	1.0
151.03899	100.0
151.07439	4.7
151.14787	2.7
152.04254	0.7
153.01817	46.8
153.05434	9.6
153.12756	0.6
155.14258	3.4
156.14839	0.5
157.10078	0.5
157.15898	0.6
159.04398	3.3
161.05904	0.7
163.03900	5.9
163.05998	1.1
163.14841	1.7
164.15175	0.6
165.01816	2.7
165.05478	3.4
165.09070	5.1
165.16405	2.0
167.03374	0.5
167.07011	2.7
167.14316	10.6
168.14668	1.0
169.15901	1.4
171.02893	18.6
173.05981	0.8
175.03998	0.9
175.07520	0.7
177.01968	1.4
177.05464	41.6
177.16402	1.0
179.03381	5.7
179.04796	0.6
179.17949	1.6
181.04953	1.2
183.02861	1.2
183.17424	0.7
187.03912	0.5
189.01805	0.5
191.03374	2.5
193.19511	1.3
195.02888	12.4
195.06520	64.8
196.06917	0.9
197.07912	0.5
201.05466	1.0
205.04848	0.6
205.19505	1.0
207.02950	0.8
207.21019	0.7
209.04411	0.7
209.08055	1.4
213.07553	8.4
215.03392	1.0
219.02959	3.0
219.06512	0.8
219.21114	1.0
229.05016	0.9
231.02933	1.4
243.02811	1.0
243.11642	0.4
249.25745	0.8
251.09261	0.5
259.08096	0.6
261.03925	3.2
270.05188	0.4
271.05881	2.2
275.27383	4.8
276.27802	0.9
279.05078	0.6
279.08661	1.6
281.28366	0.7
283.05920	3.0
285.07535	1.0
287.05368	4.0
288.05716	0.8
293.28394	12.1
294.28748	2.6
297.07211	3.5
301.07144	0.5
303.08624	39.0
304.08929	0.6
307.06000	1.4
309.07513	0.7
311.05481	0.6
311.29440	8.9
312.29712	2.5
315.08569	2.5
317.27383	0.5
321.09708	1.3
325.11288	0.9
327.08524	3.7
329.06516	0.7
329.10297	0.6
329.30493	1.7
330.30762	0.5
339.10834	3.7
340.78302	0.4
345.09723	7.2
349.10928	0.6
357.11761	1.9
359.05539	0.4
369.09610	3.0
377.06464	2.7
381.09567	1.4
393.09598	1.9
401.10068	0.6
409.08643	0.7
411.10764	3.2
416.14685	0.6
419.30948	0.5
429.12024	2.6
447.12665	6.8
455.33398	1.0
456.34500	0.5
456.91202	0.5
461.12048	1.4
465.12573	0.8
473.34708	1.4
474.35104	0.9
479.13318	7.8
497.14011	1.1
579.13666	0.5
602.39734	0.5
605.15710	0.6
609.15021	0.6
641.18683	2.8
643.24622	1.0
803.30176	0.5
821.27997	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	821.25
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.0
61.02916	1.9
64.39109	0.8
65.03954	1.7
67.05496	4.6
67.56053	0.7
67.78845	0.7
68.99774	4.6
69.03427	9.9
69.07072	2.3
69.22599	4.5
71.01362	2.5
77.03929	1.3
79.05502	6.0
81.03416	6.2
81.07043	4.0
83.01344	1.3
83.04979	3.2
83.08637	0.9
85.02905	12.8
89.03933	2.7
91.05496	3.4
93.07054	2.1
95.04964	12.5
95.08609	2.9
97.02900	6.2
97.10172	1.2
103.05448	5.3
105.03416	3.1
105.04517	2.3
105.07059	1.2
107.04950	8.0
107.08614	0.8
108.05374	0.8
109.02879	14.8
109.06525	1.8
109.10175	2.5
111.04445	3.7
115.05488	1.8
117.03387	5.5
117.07035	2.4
119.04944	2.0
119.08554	1.2
121.02866	5.2
121.06507	6.4
123.04417	10.1
125.02339	2.7
127.03930	3.1
129.07060	0.9
131.04929	6.9
133.02863	2.1
135.04427	15.0
135.05359	1.4
135.08055	1.3
135.11713	1.1
137.02370	3.6
137.05959	4.0
139.00317	1.1
139.03902	48.7
141.07027	2.3
143.04959	1.2
145.02856	12.1
145.04924	1.9
145.06483	8.6
147.04456	3.3
149.02338	11.5
149.05981	6.2
149.13283	1.2
151.03906	10.6
153.01840	9.0
153.05614	1.0
153.07014	1.7
155.04933	1.7
157.06512	1.7
159.04411	6.6
159.08083	0.9
161.06006	1.5
163.03906	92.2
163.07547	2.0
164.04321	1.2
165.01839	34.3
165.05481	42.4
165.09242	1.0
167.03429	3.0
169.06467	2.2
171.04358	1.3
173.05983	9.9
177.01881	2.0
177.05521	4.9
179.00024	2.0
179.03387	72.7
181.01358	2.3
181.06499	2.3
183.02904	11.3
183.04384	1.3
185.06036	2.4
187.03909	1.8
187.07478	2.1
189.01837	9.1
189.05511	1.8
189.62010	0.8
191.03392	50.0
191.06987	5.8
195.04446	1.3
197.00838	2.3
197.04433	1.6
197.06033	2.2
199.03920	1.8
201.05449	10.3
203.03444	3.6
205.01303	2.5
205.04941	7.6
207.02885	9.7
209.04434	56.0
209.07924	1.5
213.05508	3.1
215.03419	3.3
215.07092	2.2
217.05002	3.1
219.02957	1.5
219.06549	4.8
221.04437	1.6
225.05510	1.8
227.03412	3.8
227.06973	1.5
229.04953	9.5
231.03032	1.9
231.06503	16.7
233.04561	1.2
235.02318	5.6
237.05742	4.6
239.03503	0.9
241.04939	14.8
243.06534	4.5
245.04492	3.9
245.08083	1.0
247.06006	1.1
251.03314	0.9
253.04964	1.4
255.06514	13.6
257.04443	2.5
257.08157	1.1
259.02615	4.2
259.05957	9.4
261.04041	1.3
265.05026	9.8
267.06439	1.8
269.04425	4.7
271.05856	4.1
273.03958	13.8
273.07538	2.4
277.03442	3.2
280.11160	0.9
283.06015	29.2
284.06674	0.9
285.04019	1.3
285.07523	2.5
287.05386	5.3
289.06970	5.1
293.04419	7.9
293.28448	2.1
295.05991	1.8
297.04294	1.5
297.07553	9.7
299.05499	2.4
301.03625	1.9
301.07031	19.1
303.08734	1.9
307.06119	3.0
309.04126	1.8
309.07605	2.4
311.05499	45.6
311.29379	1.7
315.05069	2.2
315.08594	18.4
315.12067	1.5
323.05573	1.1
323.09283	1.0
325.07108	7.2
327.08633	35.6
328.09027	1.1
329.06546	31.0
333.07465	10.0
335.05414	1.9
339.08722	1.0
341.10153	2.1
343.08167	7.1
347.07669	4.8
349.06805	1.0
353.06589	2.1
361.09140	14.8
365.10089	4.0
367.11880	2.0
371.07791	1.2
377.06177	1.7
377.10254	4.4
378.07178	1.6
385.09332	1.0
395.11591	5.1
401.10550	1.3
405.09741	1.2
409.09113	9.9
419.11490	4.2
427.10260	1.2
429.09702	3.8
437.12360	2.0
447.10760	40.0
448.11206	2.0
451.14142	1.1
459.12900	1.2
461.12506	5.1
465.11841	64.7
466.12302	1.7
479.13358	47.6
480.13687	1.5
487.12466	1.3
497.14423	100.0
498.14569	3.6
507.13281	1.0
540.56317	1.0
641.18860	6.8
659.19623	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	821.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
60.18078	0.1
65.03934	0.1
66.97761	0.1
67.01863	0.4
67.05503	0.7
68.99784	0.6
69.03424	0.2
69.07059	0.4
71.33218	0.1
74.96118	0.1
79.05497	0.7
81.03419	0.8
81.07066	0.9
83.08607	0.3
85.02892	0.5
89.03915	0.2
91.05476	1.0
93.07037	0.6
95.04961	0.4
95.08597	0.7
97.02889	0.2
97.10137	0.2
103.05485	0.1
105.07027	0.6
107.04951	0.4
107.08582	0.5
109.02844	0.6
109.10148	0.5
111.04436	0.2
115.05422	0.2
117.07010	0.3
119.08578	0.6
121.10126	0.3
123.04383	0.2
123.08056	0.2
123.11686	0.2
127.03954	0.2
129.01828	0.2
129.06972	0.3
131.04903	0.4
131.08562	0.2
133.02835	0.2
133.06458	0.3
133.10114	0.5
135.04430	1.3
135.11668	0.2
137.02309	0.7
137.06000	0.2
137.09630	0.3
139.03903	0.2
141.06990	0.7
143.04861	0.1
143.08578	0.2
143.10689	0.1
145.04971	0.1
145.06468	0.2
147.04376	0.4
147.11682	0.2
149.05966	0.2
149.09715	0.1
151.03915	0.2
153.01819	5.2
153.06976	0.2
157.06516	0.3
159.08090	0.2
161.02330	1.2
163.03908	1.0
165.05579	0.3
165.06981	0.2
165.09111	3.5
166.09445	0.4
167.07030	0.8
169.06564	0.2
171.02878	1.1
171.04424	0.4
173.06001	0.5
175.03883	0.3
177.05481	0.3
179.03406	0.7
181.04900	0.8
181.06363	0.2
183.04443	0.2
183.08147	0.1
185.05925	0.4
187.03922	0.4
189.01756	0.2
189.05527	0.2
191.07021	0.3
195.06459	0.2
195.08139	0.1
197.05977	1.2
199.03889	3.9
199.05768	0.2
199.07677	0.1
201.05441	0.5
203.03413	0.1
204.16475	0.1
205.06612	0.1
205.12195	0.2
207.02863	0.5
209.04298	0.2
209.06117	0.3
209.07944	0.2
211.07576	0.3
213.05478	0.8
213.09155	0.1
215.03299	0.2
217.04939	1.5
219.06514	0.5
221.06105	0.2
225.05453	2.5
227.07031	0.5
234.08891	0.2
235.07561	0.2
239.07018	1.0
241.04974	0.9
245.04536	0.2
251.07059	0.5
253.08675	0.5
255.06432	0.2
265.08444	0.1
269.04306	0.3
271.05960	0.3
273.12744	0.2
283.06213	0.1
287.05484	100.0
288.05817	2.3
291.10654	0.1
291.13806	0.4
301.06952	0.2
301.12183	0.5
309.14737	0.3
311.05518	0.3
319.13232	1.5
327.08368	0.2
329.06677	0.4
337.14325	9.7
338.14502	0.3
355.15402	4.5
385.12845	0.3
417.15399	0.5
425.33896	0.3
433.16214	0.2
443.34991	0.9
444.35779	0.2
447.10635	0.3
449.10812	1.7
461.15845	0.4
465.11914	0.3
479.17413	0.3
497.14511	0.5
499.19492	0.6
517.20654	0.9
535.21698	0.3
803.25757	0.7
821.26025	0.5
821.39447	0.2
821.42401	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03571	0.1
67.01858	0.4
67.05498	0.6
68.99773	0.6
69.03421	0.2
69.07063	0.3
69.21153	0.3
69.21564	0.2
79.05481	0.6
81.03417	0.7
81.07051	0.9
83.04984	0.2
83.08615	0.3
85.02885	0.3
85.06537	0.2
89.03909	0.2
91.05481	0.7
93.07037	0.6
95.04964	0.3
95.08614	0.5
97.06535	0.1
97.10161	0.1
105.07048	0.4
107.04971	0.5
107.08583	0.3
109.02872	0.4
109.10146	0.4
111.04453	0.1
115.05482	0.1
117.03391	0.2
117.07017	0.1
119.04948	0.1
119.08567	0.3
121.06483	0.1
121.10161	0.2
123.04405	0.2
123.11687	0.1
127.03889	0.2
129.01802	0.1
129.06972	0.2
131.08563	0.2
133.10161	0.4
135.04414	1.7
135.11668	0.1
137.02345	0.8
137.05971	0.2
137.09572	0.2
137.13205	0.1
141.06982	0.2
143.04807	0.1
143.07048	0.2
145.05014	0.1
145.06523	0.1
145.10104	0.2
147.04396	0.2
147.11646	0.2
149.05896	0.2
149.09616	0.1
151.03871	0.3
152.06067	0.1
153.01820	5.7
153.06978	0.2
157.06470	0.2
157.10153	0.2
159.11713	0.1
161.02310	1.2
161.05989	0.3
161.13319	0.1
163.03909	1.0
163.11186	0.1
165.05486	0.2
165.06949	0.2
165.09105	0.9
166.09497	0.1
167.06996	0.3
167.08380	0.1
169.06441	0.2
171.02901	1.1
173.05966	1.6
175.03880	0.3
175.07509	0.1
177.05516	0.2
179.03442	0.4
179.08507	0.1
181.05016	0.2
181.06473	0.3
185.06000	0.3
187.03925	0.1
187.07530	0.6
189.05435	0.4
191.06903	0.1
193.06552	0.1
193.12236	0.2
195.08054	0.2
197.06038	0.5
199.03841	0.1
199.07559	0.5
201.05432	0.8
203.03209	0.1
203.07047	0.2
209.05971	0.2
209.07909	0.1
211.07495	0.4
213.05467	1.5
213.08998	0.2
215.07031	0.5
217.04919	0.8
219.06516	0.4
221.13187	0.2
223.07582	0.1
225.05444	0.5
225.09062	0.1
226.06313	0.2
227.07004	1.2
229.05031	0.4
231.06523	0.2
239.07048	0.3
241.04968	0.8
241.08533	0.1
243.06535	0.4
245.04419	0.2
249.12682	0.2
253.08597	0.2
259.05914	0.1
265.12131	0.1
267.13870	0.7
269.04471	0.4
269.07315	0.1
271.05994	0.2
281.15204	0.4
283.13379	0.2
285.14795	0.2
286.04575	0.2
287.05478	100.0
288.05765	2.1
291.13748	0.7
295.13214	0.3
299.05615	0.1
299.16150	0.1
301.12280	0.1
309.14844	0.7
311.12717	0.4
311.16104	0.1
313.14276	0.5
319.13138	0.3
327.04868	0.1
327.15881	0.7
329.06326	0.4
329.13791	2.2
329.17105	0.1
337.14316	2.3
338.14590	0.1
355.15384	4.1
373.16452	1.0
395.07541	0.1
417.33517	0.4
431.10059	0.1
435.34637	0.5
443.35287	0.2
449.10977	0.6
461.36258	0.3
479.37125	0.1
497.18179	0.1
517.20776	0.7
535.21558	0.1
820.62158	0.1
821.25647	0.4
821.42792	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	821.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	0.1
59.04989	0.1
63.02399	0.1
67.01858	0.5
67.05507	0.5
68.99771	0.6
69.03430	0.3
69.07066	0.3
70.62151	0.1
71.04985	0.1
77.03928	0.1
79.05495	0.6
81.03411	0.8
81.07061	0.6
83.04987	0.1
83.08607	0.3
85.02898	0.2
85.06538	0.1
88.81563	0.1
89.03917	0.2
91.05476	0.6
93.07046	0.4
94.90622	0.1
95.04977	0.3
95.08594	0.4
97.02877	0.1
97.06544	0.1
97.10195	0.1
100.11291	0.1
100.90230	0.1
103.05450	0.1
105.04552	0.1
105.07016	0.3
107.01325	0.1
107.04957	0.6
107.08570	0.3
109.02890	0.7
109.06490	0.1
109.10164	0.3
110.03671	0.1
111.00809	0.1
111.04419	0.2
111.08086	0.1
115.05433	0.2
117.03394	0.1
117.06960	0.1
119.08559	0.3
121.06493	0.1
121.10142	0.2
123.04417	0.2
123.08078	0.1
123.11652	0.2
125.02378	0.1
125.06026	0.1
125.09634	0.1
127.03914	0.2
129.01842	0.1
129.07010	0.2
131.04927	0.1
131.08583	0.2
133.10162	0.4
134.03723	0.1
135.03455	0.1
135.04416	1.6
137.02319	1.0
137.05997	0.2
137.09666	0.1
137.13196	0.1
139.03886	0.3
139.05450	0.1
141.06956	0.1
145.06526	0.1
145.10066	0.1
147.04401	0.2
147.11671	0.2
149.05942	0.2
149.13234	0.1
151.03911	0.3
153.01820	6.1
153.06956	0.2
157.06482	0.2
157.10114	0.2
159.04335	0.1
161.02339	1.1
161.05988	0.3
163.03883	1.4
163.07567	0.1
163.11200	0.1
165.01823	0.1
165.05481	0.5
165.06885	0.1
165.09085	1.0
167.04860	0.1
167.07027	0.3
169.06519	0.3
171.02896	1.1
171.04315	0.2
173.05974	1.6
175.03903	0.2
175.07594	0.2
175.11226	0.1
177.05447	0.4
177.06776	0.1
179.03391	0.6
181.04924	0.2
181.06459	0.4
183.02925	0.1
183.04378	0.1
185.05946	0.2
187.07553	0.8
189.01711	0.1
189.05453	0.3
191.03389	0.2
191.07011	0.2
191.10672	0.1
193.06476	0.1
193.12163	0.2
194.81538	0.1
195.08073	0.2
197.05931	0.6
198.06683	0.1
199.03900	0.1
199.07533	0.6
201.05460	0.9
203.07036	0.1
207.08109	0.1
209.04308	0.1
209.06006	0.2
209.08041	0.3
211.07506	0.3
211.09514	0.1
213.05437	1.5
213.09061	0.2
215.07091	0.5
217.04907	1.0
219.06505	0.4
221.05899	0.1
221.13239	0.1
223.07527	0.1
225.05455	0.8
225.09132	0.2
226.06213	0.2
227.07008	1.5
227.09068	0.1
229.04982	0.4
229.08635	0.1
231.06448	0.2
235.07559	0.1
239.07072	0.3
241.04895	0.9
241.12027	0.1
242.05634	0.1
243.06528	0.5
245.04385	0.2
249.09181	0.1
249.12706	0.2
253.08670	0.2
259.06042	0.2
263.05478	0.1
263.14279	0.1
267.13824	0.7
269.04282	0.4
271.05972	0.3
277.68317	0.1
281.15311	0.3
285.14783	0.2
287.05478	100.0
287.75665	0.1
288.05783	1.9
289.06946	0.2
291.13675	0.6
293.28363	0.1
295.13416	0.3
299.05228	0.1
299.16217	0.1
309.14981	0.7
311.05341	0.1
311.12842	0.3
311.29437	0.1
313.14105	0.4
319.13257	0.2
327.15903	0.6
329.06485	0.4
329.13791	2.2
337.10382	0.2
337.14282	2.2
339.12122	0.2
355.15387	3.5
373.16403	1.0
395.07407	0.2
431.09747	0.1
443.35501	0.1
449.10779	0.8
461.36017	0.2
465.11978	0.2
473.18625	0.1
479.37567	0.1
497.14093	0.3
517.20789	0.7
535.21802	0.1
567.59467	0.1
586.41913	0.1
679.41998	0.1
765.08124	0.1
821.26440	0.3
821.41058	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	821.286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22582	0.1
61.02928	0.1
63.78157	0.1
67.01881	0.4
67.05501	0.4
68.99805	0.4
69.03416	0.5
69.07057	0.3
69.17455	0.7
71.04982	0.3
71.15654	0.1
79.05483	0.7
81.03430	0.6
81.07066	0.9
83.04987	0.2
85.02923	0.6
85.03359	0.1
91.05462	0.6
93.07043	0.9
95.04962	0.5
95.08594	0.6
97.02895	0.5
97.06473	0.2
99.04470	0.2
99.92528	0.1
105.07054	0.7
107.04973	1.3
107.08588	0.8
109.02873	1.1
109.06520	0.3
109.10130	0.6
117.06954	0.2
117.62937	0.1
119.04941	1.2
119.08565	0.3
121.02845	0.4
121.06525	0.4
121.10152	0.6
123.04445	0.3
123.11692	0.3
123.64406	0.1
125.02322	0.3
127.03905	0.5
127.11158	0.1
131.04892	0.3
133.10130	0.4
134.29469	0.1
135.04414	0.2
135.11676	0.3
137.05954	0.6
137.06908	0.1
139.03889	0.4
145.02878	0.9
145.10107	0.5
147.11676	0.2
149.05968	0.6
149.09550	0.2
151.03912	0.8
151.07510	0.3
153.01828	4.3
153.05386	0.2
159.04393	0.2
161.05995	0.3
163.03915	1.1
163.07478	0.1
163.11162	0.9
165.05501	1.2
165.09108	0.9
166.05762	0.3
166.09515	0.2
167.07057	0.5
167.10735	0.3
169.08618	0.7
171.02867	0.9
175.03865	0.1
177.05469	1.0
181.04924	0.5
181.12274	0.2
188.29829	0.1
191.06992	0.3
191.10594	0.6
195.06499	0.4
195.16589	0.1
203.07024	0.3
205.04843	0.4
205.12184	0.3
205.62883	0.1
209.04399	0.1
209.08118	0.7
209.11789	0.4
219.06458	0.2
219.17476	0.2
225.05411	0.3
227.12810	1.1
229.05009	0.3
233.07970	0.1
237.18500	0.2
243.06465	0.2
258.82413	0.2
269.04202	0.2
271.05997	100.0
272.06326	2.0
283.06000	0.3
287.05493	4.7
288.05814	2.9
289.06104	1.5
301.07373	0.2
303.08548	0.4
313.07095	0.4
353.15857	0.4
415.10107	0.2
416.14554	0.4
433.11200	0.5
442.33826	0.2
465.11499	0.2
472.45236	0.1
497.14020	0.2
543.13812	0.2
559.77081	0.2
641.21857	0.4
659.23407	5.2
667.39679	0.2
821.27509	0.8
821.43164	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	18.7
59.04985	3.1
60.04520	2.5
61.02930	3.4
61.27341	1.7
65.03915	1.5
69.03429	65.2
69.46487	6.2
71.01354	2.2
71.95382	1.3
73.02925	14.5
73.51076	1.6
79.05486	2.9
80.25400	1.7
80.43744	1.6
81.03429	4.5
85.02907	55.2
87.03971	2.9
87.04472	39.0
91.05480	100.0
92.05811	1.7
97.02258	3.2
97.02892	68.2
99.04465	2.8
103.03885	1.5
103.07639	1.4
105.07023	5.0
107.04964	4.4
109.02863	1.9
111.04449	1.5
115.03935	81.3
117.05466	2.2
117.07004	1.5
123.04366	1.9
127.03915	8.5
129.07002	2.0
133.04965	62.7
133.06506	3.5
137.05949	1.7
145.04906	7.9
145.06570	3.0
150.07623	9.3
161.04466	2.9
163.03911	4.9
163.06032	2.1
163.07365	1.8
169.04955	2.4
169.12212	1.7
175.07536	3.4
205.08559	2.8
208.48264	1.7
217.08647	2.8
223.09610	11.7
235.09676	2.9
241.06895	2.1
253.10754	5.6
259.08118	12.9
271.11835	4.1
277.09180	3.1
288.14301	1.6
295.10291	17.6
420.18610	5.6
610.22235	1.7
627.44684	1.8
740.46802	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	822.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.0
57.07066	1.9
59.04984	2.4
60.72892	0.6
65.03926	0.8
67.05508	8.1
69.03426	3.4
69.07063	7.8
69.45076	2.9
71.04987	23.1
73.06545	2.2
76.87283	0.6
77.02506	0.8
79.05488	14.6
81.03406	2.9
81.07052	25.5
83.04986	2.1
83.08614	5.0
84.96001	0.6
85.02894	4.2
85.06548	3.3
86.09716	1.0
89.03859	0.6
89.06031	1.1
89.10065	0.6
91.04939	1.1
91.05476	14.0
93.06442	1.4
93.07038	22.2
95.04968	9.6
95.08601	22.3
97.02890	2.4
97.06527	5.8
97.10165	3.1
98.23511	0.7
99.04458	0.7
99.08095	5.4
103.05461	2.2
105.03407	0.7
105.04511	2.3
105.07024	39.8
107.04948	53.4
107.08587	21.2
108.05320	1.3
109.02870	8.1
109.06520	4.7
109.10152	15.4
111.08037	1.3
112.06791	0.7
113.09648	0.8
117.07011	2.7
119.04936	0.8
119.08576	10.5
121.06491	6.6
121.10130	12.7
123.04426	1.8
123.08060	1.3
123.11700	13.4
125.02347	1.7
125.06039	0.7
125.09619	23.4
127.03876	1.3
127.07571	3.0
127.11178	6.5
131.04916	2.0
131.08557	8.4
133.02856	2.4
133.10123	69.4
134.10385	1.0
135.04393	1.9
135.08067	0.6
135.11690	2.1
137.05952	3.1
137.09599	1.7
139.03903	3.6
139.11154	1.4
141.12819	0.8
143.10666	69.5
145.04904	1.2
145.10109	13.9
147.04492	0.7
147.11678	14.6
149.05991	5.9
149.13242	17.2
150.13661	0.7
151.03893	8.8
151.07607	0.9
151.11182	9.9
153.01814	2.3
153.05453	1.2
155.10689	1.5
157.10094	1.3
159.11678	10.2
161.13249	6.2
163.03857	5.6
163.07605	0.8
165.05476	34.6
165.09085	7.4
165.12750	1.0
166.05820	0.9
166.09439	1.8
167.07083	6.2
167.14307	61.0
169.12238	16.4
169.13545	0.4
171.11707	0.8
173.13213	1.9
175.07608	0.7
175.14885	0.9
177.05466	9.3
177.12692	1.2
179.03377	0.9
181.05009	0.8
184.07335	1.6
185.15375	1.1
191.07013	1.3
191.17874	1.4
193.08519	1.2
195.06514	4.7
197.08049	0.7
201.14639	1.2
201.16370	10.0
203.17911	1.4
205.48164	0.7
209.08081	9.8
217.12454	0.9
219.17430	100.0
220.17795	1.8
227.09122	28.2
237.18488	25.3
238.18890	1.0
255.19623	1.1
271.06049	4.5
287.05420	4.8
288.05869	4.2
289.06403	0.9
305.15829	1.4
331.17416	2.1
389.14291	1.6
822.30646	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	3.3
67.05498	2.5
69.03426	2.1
69.17564	2.0
71.04986	0.7
75.04472	2.5
76.72242	0.3
77.03954	1.2
78.04712	2.3
79.05492	3.9
81.03411	1.8
81.07056	4.1
82.04205	0.7
82.07397	0.4
85.02903	4.5
89.03931	0.7
89.06036	0.6
90.04768	0.3
91.05479	8.4
93.03400	8.4
93.03941	0.6
93.07046	3.8
94.04142	0.3
95.04967	5.2
95.08604	0.7
96.05807	0.3
97.02887	1.4
97.06528	1.7
98.09984	0.3
102.04662	0.4
103.05463	17.4
104.05760	0.4
105.03420	0.9
105.04517	1.4
105.07029	3.6
106.04170	14.7
107.04961	8.4
108.02093	0.4
109.02908	0.8
109.06535	1.7
110.03661	1.3
110.12556	0.3
111.04448	1.1
115.05450	2.7
117.03361	0.6
117.07005	2.4
118.04154	2.7
119.04948	1.7
119.08593	0.4
121.06502	17.1
122.03620	0.3
123.04429	3.1
123.08049	0.8
123.11703	2.7
124.05204	1.5
124.12030	0.7
125.05985	6.3
125.12384	0.3
127.03922	0.6
128.06187	0.5
129.07021	1.2
130.04152	0.6
131.04927	23.5
131.08582	0.6
132.05199	2.6
133.02849	1.3
133.05553	0.5
133.06477	3.7
134.03613	2.8
135.04395	1.6
135.08061	1.4
137.05957	4.7
138.03125	0.6
138.06740	1.0
139.03897	0.4
139.07561	1.7
141.07010	0.8
142.02603	0.6
143.04939	0.7
143.06047	0.3
144.05688	1.6
145.02937	0.8
145.05020	0.3
145.05392	0.4
145.06483	4.0
146.03635	0.8
147.04414	1.0
147.08087	1.7
148.05179	7.7
149.05972	27.0
151.03925	2.4
151.07564	2.0
151.11188	0.4
152.04700	0.9
152.08344	0.5
153.05472	4.0
153.06749	0.4
153.09088	7.6
155.04901	0.3
155.06007	1.0
155.07079	0.4
156.05699	0.4
157.06505	0.8
159.04367	0.7
159.08044	1.1
160.05150	0.8
161.05972	4.5
162.06702	0.4
163.03915	1.7
163.07536	18.9
164.07886	2.1
165.05466	1.2
165.09181	0.6
166.02596	0.4
166.06285	0.8
167.07030	32.2
168.07401	0.8
169.12260	1.6
171.06560	2.7
172.05209	0.3
173.05963	6.1
174.06717	0.8
175.07500	2.6
176.04678	1.8
177.05457	17.1
178.05931	0.6
179.07053	1.2
181.04951	44.1
181.08551	14.3
183.06561	0.4
185.06003	0.4
187.07500	1.9
187.13330	1.2
189.05449	0.6
189.09067	0.5
189.67014	0.3
190.06133	1.6
191.07021	51.0
192.07561	1.3
193.04922	0.9
193.06978	0.3
193.08575	2.0
195.06464	2.9
195.07849	0.3
197.08014	0.4
201.05455	0.9
202.06259	0.8
203.06943	1.5
205.08604	2.8
207.06499	1.8
207.08286	0.6
207.10173	1.3
209.08075	100.0
210.08461	1.6
214.06293	0.4
217.08559	2.1
219.08194	0.7
219.10106	2.7
220.07156	0.4
221.06096	0.6
221.08073	1.2
223.07506	0.4
225.07484	0.6
226.06061	0.3
227.07019	0.4
231.06398	0.6
233.07988	3.3
235.07483	0.9
235.09627	3.2
236.08195	0.4
241.08601	0.4
245.08023	0.9
247.07494	0.4
250.06268	0.4
251.06879	0.5
251.09061	0.7
257.08252	0.4
263.09155	12.6
264.07727	0.6
265.08398	0.6
265.10855	0.7
267.10159	1.8
271.09732	0.5
277.08499	0.4
279.10104	0.4
291.06491	0.4
295.09607	0.8
297.11130	1.1
307.09680	0.6
325.10553	1.2
327.12595	0.4
329.13782	0.5
331.11603	0.6
331.17490	1.6
332.17578	0.4
339.12204	0.7
341.12128	1.1
344.12430	0.5
355.11490	0.5
357.13190	2.8
359.14658	0.4
367.11661	0.6
369.13309	0.8
371.14911	0.7
381.13132	0.9
385.12769	4.8
387.14328	1.0
399.14407	3.3
417.15414	22.5
418.15845	0.6
579.20654	2.8
609.23303	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	8.8
67.05513	2.5
69.03423	2.3
69.64072	4.2
70.06593	1.0
75.04457	0.9
77.03940	1.7
78.04716	1.8
79.05492	6.4
80.84668	0.9
81.03408	2.4
81.07048	3.4
82.04206	2.0
85.02893	2.9
89.03904	1.5
91.05482	11.5
93.03415	5.3
93.07040	4.3
95.04959	13.9
95.08612	2.3
97.06521	1.2
98.02882	1.0
98.22742	1.6
103.05450	5.7
105.03388	3.1
105.04524	2.9
105.07029	8.3
106.04167	2.8
107.04951	14.2
107.08601	2.3
109.02855	1.7
109.06507	2.8
109.10140	1.7
110.03654	9.3
111.04438	11.3
115.05475	4.1
117.03384	1.2
117.06999	2.4
118.04182	2.0
119.04950	6.2
119.08569	3.3
121.02885	5.6
121.06511	5.5
121.10110	1.2
122.03630	2.1
123.04430	15.4
123.11681	1.2
124.05216	2.8
125.05981	14.2
127.03916	2.4
128.06207	3.1
129.06987	9.1
131.04938	6.7
131.08606	1.8
132.05663	1.3
133.02853	3.3
133.06488	6.9
133.10141	2.4
134.03596	1.2
135.04408	3.2
135.08069	1.2
136.05165	1.4
137.05963	16.3
140.04675	4.3
141.06953	1.2
143.04939	1.3
144.05728	2.4
145.02853	1.9
145.04950	1.0
145.06487	4.6
146.03679	1.2
147.04379	5.4
147.08069	3.7
148.05159	1.4
148.86380	1.1
149.06000	6.5
151.03918	6.0
151.07538	14.0
152.04655	2.8
153.05458	42.6
153.09062	1.2
155.04942	1.7
155.07091	5.0
157.06502	2.0
159.04472	1.1
159.08084	10.8
160.05266	2.0
161.05969	13.8
161.09534	1.5
161.13344	1.0
162.06833	1.2
163.03888	15.7
163.07565	4.0
165.05476	7.7
165.06882	1.8
167.07036	100.0
168.07361	2.2
169.06435	1.5
171.04350	1.3
172.05183	3.8
173.06024	2.8
175.07538	21.8
177.05490	6.7
178.07727	1.7
179.07043	5.8
179.08435	1.7
180.07878	1.2
181.04955	11.4
181.06419	1.7
181.08546	3.0
182.07169	1.2
183.06496	5.7
186.06876	1.6
187.07520	22.3
189.05473	1.4
189.06934	1.0
189.09174	1.5
190.06200	1.1
190.07787	2.6
191.07021	12.5
191.08568	3.4
193.04979	2.0
193.08632	3.4
195.06494	2.4
195.08144	3.1
197.08017	2.5
199.07526	9.1
201.16504	1.4
202.07751	2.4
203.05287	1.1
203.07024	1.6
203.08623	2.3
205.06487	2.0
205.08508	2.5
206.07280	3.0
207.06509	6.0
207.08165	2.6
208.08871	1.7
209.06108	2.0
209.08034	14.5
210.06715	1.3
211.07529	2.8
215.08597	1.5
216.07756	1.6
217.06581	2.1
217.08620	3.1
218.07306	2.9
219.08018	6.9
220.08830	2.4
221.06128	1.8
221.09641	5.2
223.07509	2.5
224.08340	1.3
225.07430	11.8
227.06934	1.3
229.08571	1.9
231.08093	3.3
232.08704	1.4
233.09671	2.3
234.06738	3.4
235.07562	7.0
236.08296	3.8
237.09137	3.0
238.09901	1.8
239.07037	1.8
239.10738	2.5
240.07727	1.9
241.08658	2.0
246.06798	2.4
247.07495	4.8
247.09573	1.8
248.08299	4.9
249.05453	2.5
249.09091	8.4
250.09822	2.3
251.06998	2.9
251.10690	4.5
252.07840	3.1
253.08620	8.5
254.09343	1.7
259.07501	2.0
260.08224	1.3
261.09064	5.5
262.06253	1.8
263.06992	3.2
263.10632	1.4
264.07849	4.9
265.08597	5.9
265.12201	1.3
266.09326	3.6
267.06577	1.5
267.10132	4.8
269.08228	2.4
269.11652	2.8
275.06985	3.0
276.07840	4.4
277.05988	1.2
277.08560	7.1
278.09219	4.8
279.06973	1.9
279.10144	7.0
280.07452	1.2
280.10687	1.1
281.08102	3.3
281.11722	10.9
282.08948	1.6
283.09583	3.1
288.07980	1.1
289.08698	4.9
290.09421	1.6
291.06763	1.4
291.10080	4.2
292.07355	2.0
292.10663	1.1
293.08066	3.1
293.11548	2.5
294.08899	4.5
295.09589	6.6
296.10303	1.2
297.11185	3.3
303.09930	1.2
305.08264	1.6
306.08847	2.5
307.09717	9.3
308.10419	3.0
309.11154	14.1
310.11841	1.3
311.09149	2.8
311.12775	5.5
312.09961	1.8
313.10559	3.6
319.09656	3.9
321.11273	7.5
323.12790	2.3
324.09995	1.7
324.13522	1.3
325.10757	14.6
326.11435	2.3
327.12366	4.7
329.13934	4.9
333.10867	1.5
335.12875	1.2
336.09872	1.7
337.10703	19.4
338.11346	1.5
339.12271	59.5
340.13071	2.8
341.13815	54.4
351.12262	9.4
352.12994	2.0
353.13809	18.7
355.11731	100.0
356.12213	2.4
357.13348	32.6
363.12308	2.5
365.13965	1.1
367.11658	5.8
369.13190	12.2
371.14929	6.2
383.14963	7.9
387.14206	3.2
395.14890	3.8
487.17523	1.9
499.17340	4.0
517.18347	4.4
529.18530	2.7
535.19495	5.6
547.19061	1.8
565.20728	6.9
828.36353	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	828.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	8.2
65.37122	0.6
67.05496	1.9
69.03420	1.7
69.07072	0.8
77.03906	1.0
78.04695	1.2
79.05479	7.0
81.03425	1.9
81.07043	3.2
82.04195	1.3
85.02898	2.8
91.05467	9.7
93.03398	5.8
93.07031	2.4
94.04171	0.8
95.01308	1.5
95.04964	11.1
95.08602	1.3
97.02908	1.0
97.06534	1.4
103.05472	4.5
105.03378	2.2
105.04510	2.5
105.07018	9.1
106.04173	2.6
107.04953	11.4
107.08591	1.2
108.02105	1.1
109.06540	1.4
109.10155	1.8
110.03658	7.4
111.04430	10.3
115.05424	3.5
117.07037	1.4
118.04192	1.0
119.04942	5.1
119.08585	3.4
121.02858	7.5
121.06496	6.1
122.03664	2.1
123.04424	12.5
123.11678	1.3
124.05215	1.9
125.05988	10.7
127.03918	0.9
128.06224	1.4
129.06999	7.1
131.04938	7.1
131.08565	1.9
132.05641	1.2
133.02893	2.1
133.06474	6.6
133.10139	1.9
134.03639	1.5
135.04404	2.2
136.05174	2.0
137.05957	14.0
138.03056	0.9
140.04688	2.5
141.07008	1.0
143.04910	0.9
143.06030	1.0
144.05724	1.8
145.05006	0.8
145.06476	3.9
146.07201	1.2
147.04399	4.9
147.08054	3.0
148.05145	1.2
149.02325	1.1
149.05986	5.9
151.03972	3.9
151.07541	13.3
152.04655	1.7
153.05458	39.8
153.09099	1.9
155.04956	1.4
155.07011	5.1
155.08150	0.8
156.05644	1.2
157.06445	1.4
159.04431	0.9
159.08034	9.6
160.05190	1.0
161.05952	14.8
162.06749	1.4
163.03897	8.4
163.06142	0.9
163.07562	3.4
165.05469	3.1
165.06844	1.5
167.07031	88.3
168.07378	1.4
169.06520	1.3
172.05183	2.6
173.05983	1.0
174.06758	1.1
175.07541	19.5
175.09073	1.1
176.04720	0.8
177.05473	6.1
177.06857	1.4
178.07777	1.8
179.07033	6.4
179.08493	1.3
181.04958	10.4
181.06425	1.2
181.08551	3.7
183.06523	4.3
183.07964	1.0
184.05090	0.8
185.05988	1.1
186.06778	1.8
187.07527	20.9
189.05449	1.4
189.07011	1.7
189.09003	1.2
190.06157	1.3
190.07753	1.8
191.07028	10.9
191.08575	2.7
193.04965	1.4
193.06998	1.0
193.08585	5.6
195.06461	1.4
195.08060	1.6
197.08118	1.9
199.07576	6.4
201.09113	1.1
203.06944	0.8
203.08580	3.5
205.06503	2.1
205.08569	1.8
206.07272	2.9
207.06339	3.7
207.08109	1.9
208.08856	1.3
209.06105	1.0
209.08008	13.4
209.09666	1.6
210.06703	1.3
211.07626	1.7
213.09195	1.0
215.06955	1.0
216.07771	2.0
217.06526	1.7
217.08598	3.1
218.07246	3.1
219.08084	5.6
220.08844	2.5
221.05949	2.1
221.09642	3.2
222.06641	1.3
223.07529	3.0
224.08337	1.7
225.07439	8.8
225.09270	0.8
226.06134	1.0
227.06996	0.9
231.08006	3.2
232.08597	1.5
233.06044	1.1
233.09677	2.9
234.06805	3.3
235.07480	4.6
236.08232	3.7
236.27925	0.9
237.09145	3.0
239.07022	3.0
239.10646	2.4
240.07681	1.2
241.08640	1.4
245.05980	2.2
246.06804	2.8
247.07516	4.4
247.09708	4.7
248.08344	2.7
249.05347	1.1
249.09087	7.9
250.06255	1.7
250.09773	1.7
251.06859	4.3
251.10727	4.1
252.07753	1.9
253.08604	6.4
254.09389	2.6
255.06522	1.1
255.10164	0.8
257.08099	0.7
259.07532	1.7
260.08191	1.3
261.05612	0.8
261.09116	5.2
262.06219	1.2
262.09790	1.8
263.07019	3.3
263.10156	1.1
264.07779	4.4
265.08600	6.8
266.09344	3.5
267.06442	0.8
267.10178	4.9
268.10934	1.1
269.08142	2.0
269.11780	2.8
273.05444	0.9
273.08984	0.8
274.06061	1.4
275.06985	2.5
275.10217	1.1
276.07794	3.4
277.08563	6.0
278.09293	2.8
279.06934	1.3
279.10147	6.0
280.10837	1.8
281.08124	3.7
281.11743	7.7
282.08752	2.5
283.09689	3.5
289.08591	4.4
290.09384	1.7
291.06979	1.2
291.09875	3.6
292.07251	1.9
293.08044	2.5
293.11749	2.8
294.08829	2.9
295.09500	7.0
296.10400	1.2
297.07745	1.3
297.11087	4.8
299.12692	0.9
301.08633	0.9
305.08011	1.2
306.08755	1.5
307.09647	9.8
308.10480	2.3
309.11179	11.9
310.11951	1.5
311.09302	1.7
311.12759	5.5
312.09937	1.5
313.10629	3.1
319.09787	4.6
320.10452	1.3
321.11206	6.6
322.11877	1.0
323.09164	1.5
323.12772	2.8
325.10703	17.4
325.14438	0.9
326.11417	4.2
327.12256	6.8
329.13806	6.4
333.11316	1.2
335.12680	1.0
337.10651	18.4
338.11176	1.0
339.12238	52.0
340.12906	2.9
341.13812	44.2
342.14322	1.6
345.11377	1.2
347.12805	1.0
351.12219	9.7
352.13089	1.6
353.13818	19.2
355.11728	100.0
356.12048	3.0
357.13284	38.7
358.13657	1.0
359.15060	1.0
363.12125	3.0
364.13214	0.9
365.13837	1.1
367.11707	4.6
369.13297	14.3
371.14825	7.0
383.14844	6.0
387.14279	4.4
395.14865	3.0
396.15100	0.9
399.14270	2.2
421.21774	2.2
422.22403	2.7
433.32669	1.7
467.14828	1.5
469.15848	0.8
485.15323	1.0
486.16638	0.9
487.17569	2.0
497.15305	0.8
499.17444	3.6
501.19095	1.7
511.17361	1.6
517.18408	6.5
529.18372	3.9
531.35132	0.8
535.19513	5.5
546.09363	0.8
547.19873	2.0
549.21332	0.9
565.20740	7.3
595.21155	1.0
653.40997	0.8
800.07135	0.9
828.36230	6.0
828.59058	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	829.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
63.41849	0.3
68.18877	0.4
70.59635	0.4
79.05511	0.6
81.03415	0.5
81.07053	0.6
85.02941	0.6
85.10509	0.4
91.05508	0.7
91.32071	0.4
93.07053	0.5
95.04961	1.0
97.02877	0.7
107.04983	0.8
109.02853	0.6
119.08582	0.7
123.04455	0.6
127.03938	0.4
131.04932	0.8
137.06007	1.4
147.04427	0.5
151.03973	0.8
151.07552	0.4
163.03964	1.9
167.07074	1.1
175.69473	0.4
176.04533	0.6
177.05461	1.1
181.05014	0.7
185.04225	1.1
187.07611	0.5
204.03960	0.8
205.04729	9.4
205.06543	0.7
209.08090	0.6
250.85603	0.5
253.08681	0.4
367.10187	1.2
394.13834	0.8
407.14771	0.5
409.12613	0.5
411.14130	1.0
421.12692	1.2
423.14435	0.6
425.11975	2.3
439.13785	1.3
440.14450	7.6
440.67291	0.5
441.15421	0.6
449.14127	0.8
453.15295	1.0
509.18527	0.5
573.19647	1.0
583.18048	1.4
587.17700	1.6
601.18774	2.7
602.19843	0.6
603.20142	0.5
604.21045	0.9
615.20502	0.6
667.23560	5.6
829.28821	100.0
830.28998	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	829.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	5.7
67.05508	3.8
69.03118	0.5
69.03428	2.8
69.07069	1.8
69.39070	0.8
69.39447	1.1
71.01365	0.8
71.04997	1.0
73.02910	4.0
79.05496	5.0
81.03446	1.7
81.07063	4.3
83.04969	0.6
83.08646	0.7
85.02905	4.6
86.09711	0.8
91.03970	3.0
91.05492	4.4
93.07047	5.9
95.04984	1.0
95.08615	3.0
97.02911	4.2
99.04451	1.0
101.02374	2.1
103.03963	0.7
105.07023	4.6
107.08626	3.4
109.02896	0.6
109.10154	0.9
115.03928	0.7
117.07014	1.3
119.08582	3.6
121.10165	1.7
125.00000	0.7
127.03931	1.8
129.05489	0.5
129.07031	0.6
131.08635	1.4
133.10162	2.5
135.11723	1.5
143.08688	0.6
145.10146	1.2
147.11740	1.9
149.13289	0.5
157.10178	0.8
159.11690	1.0
161.13290	0.9
171.11703	0.6
184.07344	2.5
185.04280	1.5
199.14929	0.7
201.03949	0.5
203.05339	0.6
241.06898	0.8
243.08403	4.8
251.40401	0.4
259.20724	0.9
301.09100	2.0
313.09106	0.6
315.10651	1.1
317.20920	1.7
369.15134	0.6
373.10931	0.9
383.16962	0.6
385.18518	0.9
397.18350	0.7
429.17554	0.5
437.21548	0.7
465.20795	2.9
482.31870	0.6
495.21768	0.7
525.23224	1.9
535.28790	17.4
536.30072	0.4
607.31012	2.6
621.32770	0.8
635.35016	0.5
649.36041	0.6
691.40564	0.7
829.50720	100.0
830.51141	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	832.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28175	0.6
60.01036	0.5
60.08159	1.2
65.03957	1.2
67.05501	20.5
69.07066	4.9
71.07377	6.7
71.45156	0.6
76.43821	0.5
79.05485	9.0
81.07050	19.5
83.08632	2.4
85.55708	0.6
86.09703	41.9
88.00541	0.6
91.05476	4.6
93.07039	10.8
93.07597	0.7
95.04962	1.1
95.08607	14.3
96.36856	0.6
97.10162	0.6
104.10736	24.6
105.07037	2.7
107.08578	5.3
109.10158	5.8
111.08046	0.6
117.07061	0.9
119.08588	2.9
121.10150	4.9
123.11694	1.1
124.99998	1.0
131.08595	1.2
133.10161	2.0
135.11716	2.5
145.10132	1.1
146.98174	57.5
149.13318	0.9
161.13297	0.8
162.44305	0.6
164.99281	0.8
184.07483	0.6
315.18015	0.6
333.19104	4.5
335.25793	16.2
356.21024	1.0
357.23999	2.5
439.17230	2.1
481.23239	35.3
482.23599	1.0
524.33258	2.6
540.30597	100.0
541.30957	2.6
832.50110	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.25
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	1.0
62.15559	0.4
65.03914	1.0
67.01853	0.7
67.05502	1.1
68.99779	4.1
69.03426	3.0
70.23206	1.0
70.23592	0.7
71.04936	0.5
79.05473	2.3
81.03409	2.6
81.07053	2.9
83.08607	1.1
85.02465	0.6
85.02898	6.3
87.04456	0.8
89.03902	6.4
91.04938	0.8
91.05471	10.1
92.99760	0.7
93.07014	1.3
95.04968	1.0
95.08597	3.0
97.02892	2.8
97.10138	0.9
99.04475	0.6
103.05461	1.1
105.03391	0.6
105.07031	2.5
107.04925	2.1
107.08598	0.9
109.02866	1.4
109.06518	0.6
109.10147	3.0
111.00778	0.8
111.04410	0.6
115.05428	4.8
117.03383	6.2
117.06985	1.3
118.04140	0.8
119.04942	11.6
119.08548	0.6
121.02859	1.0
121.06477	1.6
121.10130	0.6
123.00793	0.5
123.04409	0.9
123.11701	3.2
125.05981	0.5
127.03900	2.0
128.06238	0.5
129.03377	2.5
129.07008	2.6
131.04907	2.0
133.02817	0.7
133.06490	3.0
134.03609	1.7
135.04424	5.3
135.08086	0.5
135.11681	1.0
137.02299	1.3
137.05988	5.8
137.13211	1.0
139.03835	0.8
139.05447	0.6
141.01825	4.0
141.06972	2.6
143.04915	6.3
145.02847	5.4
145.04964	1.4
145.06471	2.0
146.40619	0.5
147.03302	0.9
147.04407	15.4
149.02298	0.9
149.05978	8.2
151.03891	2.8
151.07501	4.4
152.06160	0.6
153.01823	23.9
153.05383	0.6
155.04877	1.4
155.06030	0.8
157.02751	0.8
157.06508	4.1
159.04430	1.2
161.02296	0.7
161.05957	8.0
163.03896	22.7
164.04346	0.5
165.01830	61.6
165.05472	2.6
165.09044	0.7
166.02206	0.5
167.04903	1.3
167.07069	1.0
169.06464	2.8
171.02875	2.4
171.04370	13.8
173.02333	0.9
173.05905	1.3
175.03870	6.2
175.07469	1.0
177.05458	68.4
178.05760	0.8
178.99773	1.9
179.03468	2.5
179.04790	0.7
179.06998	1.2
179.17918	1.2
181.01315	1.1
181.04961	5.9
181.06413	0.8
183.02888	27.9
183.04370	2.1
185.02287	0.9
185.05954	5.5
187.03841	1.1
189.01833	1.7
189.05455	47.2
190.05853	0.8
191.03398	2.9
191.04939	0.5
191.06989	1.1
193.04868	1.2
194.07301	0.5
195.04356	1.1
197.00827	3.2
197.02388	0.7
197.05969	3.9
197.18932	1.2
199.03877	14.2
201.01784	0.7
201.05486	3.2
202.02618	0.7
203.03314	0.7
203.06949	1.2
205.04713	34.7
207.02734	0.8
207.04440	1.3
207.06523	4.5
209.06061	0.5
211.03864	3.1
213.05403	5.4
214.05907	0.5
215.03421	3.3
215.06851	0.7
217.04936	18.4
218.05476	5.5
219.06430	0.9
225.01974	0.6
225.05412	8.1
227.03458	0.5
229.01335	9.3
229.04875	7.9
231.06479	2.2
232.07024	4.3
235.03906	1.1
235.06129	1.3
237.05455	1.2
239.03377	5.0
241.04924	4.3
243.02837	0.7
243.06523	4.8
245.04427	1.5
247.02385	8.0
247.05991	1.8
249.07431	1.1
253.04939	19.6
254.05417	0.5
255.06488	0.7
257.00824	8.0
257.04456	6.9
258.01624	1.8
259.06021	1.2
261.07544	1.1
263.03406	2.0
264.03723	0.5
265.05032	1.4
267.02866	3.3
271.05975	8.0
273.07468	0.6
275.01862	8.7
275.05444	2.9
280.03757	0.6
281.04428	39.2
283.02786	0.5
283.06052	1.2
285.04047	2.9
285.06998	0.8
287.05496	0.5
291.02905	1.2
297.04160	0.8
297.07581	1.3
298.04691	0.5
299.05484	18.8
301.06985	0.8
303.05185	1.8
303.08575	25.7
307.05771	0.5
309.03900	35.2
310.04535	0.9
313.06943	3.1
315.08603	21.8
317.06546	1.4
323.05426	1.5
327.04977	30.6
328.05328	0.8
329.06656	0.7
331.08481	0.8
339.04959	1.2
339.08777	1.0
341.06558	24.0
345.06036	1.9
359.07571	10.1
361.10107	0.6
367.08127	0.7
374.08008	0.9
379.07568	2.3
379.11948	1.3
389.10355	2.0
403.11597	0.9
407.07462	17.9
408.07693	0.8
410.13077	1.1
413.09976	0.5
415.13629	4.0
417.09689	4.1
423.14127	2.6
429.15311	5.7
431.11362	7.0
435.10751	1.2
439.10236	11.7
439.15771	0.8
449.12204	5.7
459.10715	27.1
460.10837	0.9
463.13831	5.7
473.12430	0.7
477.11783	24.6
491.13351	100.0
492.13544	3.0
509.14395	19.2
510.15231	0.7
616.80212	0.6
636.21588	0.8
671.18481	0.6
833.29761	50.3
834.29663	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	833.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53742	0.3
67.05476	1.0
69.03400	0.7
69.07051	1.0
69.33133	1.3
69.33547	0.8
79.05482	0.4
81.07053	2.5
83.08588	0.6
85.02886	1.3
91.05454	0.9
93.07049	0.6
95.04963	0.6
95.08581	1.7
97.10135	0.5
103.05453	0.7
105.07021	0.6
107.04955	0.8
107.08592	0.6
109.06485	0.3
109.10123	1.5
111.04406	0.4
119.05027	0.3
119.08549	0.4
121.10109	0.8
123.11674	1.2
127.03912	0.6
131.04912	1.4
133.10143	0.5
135.04466	0.4
135.11630	0.6
137.05940	1.2
137.09717	0.4
137.13251	0.5
147.04367	0.9
149.13246	0.7
151.03906	0.5
151.07545	0.6
153.01869	0.6
153.86150	0.4
163.03896	3.0
165.01787	0.4
165.05504	0.7
165.09126	3.1
167.07004	1.1
175.03677	1.5
176.04497	0.5
177.05365	1.3
181.04951	0.6
189.05438	0.5
191.07036	0.7
195.12303	0.4
203.03188	0.8
204.03903	0.4
205.04721	65.0
206.05193	0.5
217.04752	0.7
218.05484	8.2
219.00389	0.4
219.06316	0.7
223.05701	0.6
227.12943	0.4
227.92265	0.4
231.06178	0.4
232.07040	8.0
246.07423	0.4
249.07344	1.7
271.05981	0.9
275.27237	0.5
275.95309	0.4
287.05569	0.6
293.28403	0.8
301.07150	1.0
301.97287	0.4
361.10522	0.5
377.09998	0.5
378.10800	1.0
380.12430	1.2
381.13361	0.5
392.12573	0.9
395.10965	1.3
409.12772	0.8
410.13373	2.3
415.13574	7.0
423.14148	6.8
427.13635	0.6
429.15240	10.8
445.15070	0.6
491.13342	0.7
508.59116	0.5
523.47754	0.4
636.21448	2.4
637.22516	0.7
833.29822	100.0
834.29987	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	833.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
65.97801	0.2
67.05476	0.7
69.03390	0.3
69.07043	0.8
79.05488	0.5
81.03413	0.4
81.07060	2.1
83.08590	0.4
85.02914	1.3
85.96761	0.2
91.05456	0.6
93.06998	0.5
95.04959	0.5
95.08592	2.1
97.02885	0.5
103.05436	0.4
105.07009	0.6
107.04945	0.3
107.08567	0.7
109.02838	0.4
109.10142	1.7
111.11715	0.2
119.08566	0.4
121.10148	0.5
123.11688	1.1
127.03856	0.3
131.04935	0.7
135.04398	0.6
135.11653	0.2
137.05933	1.0
137.09648	0.3
137.13228	0.6
145.02811	0.5
147.04382	0.7
147.11720	0.3
149.05914	0.4
149.13274	0.4
151.07513	0.3
153.01804	0.4
161.05959	0.3
163.03905	3.6
163.07599	0.3
164.04311	0.4
165.05371	0.3
165.09111	2.2
167.07022	0.7
175.03729	0.8
176.04428	0.8
177.05319	1.2
181.04993	0.5
189.05373	0.4
191.07019	0.6
203.03105	0.8
205.04710	61.4
206.05023	0.7
215.06902	0.3
217.04749	0.5
218.05496	8.1
219.06215	0.9
223.05843	0.4
223.45016	0.3
230.05612	0.3
231.06374	0.3
232.07039	7.3
233.07835	0.3
246.07356	0.6
248.06590	0.4
249.07361	1.3
271.06015	0.7
281.28543	0.4
287.05597	0.6
293.28421	1.0
301.07010	0.5
318.23682	0.2
329.30478	0.5
358.13516	0.3
361.10522	0.5
377.10101	0.5
378.10849	0.7
379.11899	0.4
380.12198	0.5
392.12335	0.7
395.11075	1.1
409.12708	0.7
410.13309	2.1
411.14240	0.4
415.13596	5.4
423.14120	6.0
429.15189	9.8
445.14108	0.5
455.16870	0.3
491.13583	0.3
566.51892	0.3
636.21686	2.3
637.22607	0.9
773.67725	0.3
833.29773	100.0
834.29980	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	833.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	0.6
72.55150	0.3
79.05491	0.6
81.03414	0.6
81.07035	0.7
83.08639	0.3
85.02900	0.6
91.05458	0.4
93.07030	0.6
93.38754	0.3
95.08574	0.4
97.02883	0.3
99.08045	0.3
100.11230	0.7
105.07007	0.8
107.04907	0.4
107.08586	0.4
109.10161	0.3
119.08602	0.4
121.10100	0.3
123.07928	0.3
129.03896	0.3
131.04912	0.3
135.04407	0.5
137.05983	0.5
145.02827	0.5
147.11568	0.3
148.90344	0.3
149.13287	0.3
153.01799	0.5
163.03893	4.3
165.09096	0.6
167.07024	0.4
175.03662	40.5
176.04156	0.7
179.06894	0.3
181.04935	0.8
182.15422	0.5
200.62846	0.3
201.07640	0.3
203.03229	0.3
204.03903	0.5
205.04758	0.4
210.14882	0.7
287.05530	0.4
293.28674	0.3
301.07083	0.7
325.09268	0.6
401.12030	0.5
410.13501	0.6
421.12622	0.8
425.12201	0.5
435.13855	0.4
438.12976	1.3
439.13690	1.6
440.14182	1.6
453.15289	4.3
483.16559	0.7
509.34558	0.3
593.19763	0.5
621.19507	1.0
635.21271	1.2
636.22168	0.8
637.22229	0.6
833.29810	100.0
834.29993	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	834.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04984	0.1
61.02917	0.2
63.02364	0.3
67.05505	1.8
69.03423	1.4
69.07047	0.4
69.15006	0.8
69.15406	0.2
71.04987	0.7
71.05296	0.1
73.02898	0.6
79.05492	1.1
81.03411	0.2
81.07051	8.8
81.94817	0.1
83.04996	0.1
83.08577	0.2
85.02893	1.1
85.06519	0.4
87.04456	0.2
89.03910	4.1
89.04458	0.2
91.05437	0.2
93.07038	0.8
94.11346	0.1
95.04964	1.3
95.08594	1.7
97.02879	1.3
97.10165	0.7
99.04441	0.2
99.08099	0.2
105.04489	0.3
105.07025	0.3
107.04944	1.3
107.08578	0.4
109.02863	0.2
109.06486	0.3
109.10114	0.3
111.04395	0.2
111.08053	0.3
113.48345	0.1
115.03901	0.6
117.03371	5.4
121.10146	0.2
123.11699	6.3
127.03876	0.2
133.04904	0.2
133.10130	0.3
135.04405	11.9
136.04703	0.2
139.03903	0.2
141.12726	0.2
145.02841	10.4
151.11148	1.0
163.03889	100.0
164.04251	1.0
169.12209	2.1
181.04951	0.4
187.13274	0.8
295.08121	0.9
301.16455	0.3
303.15848	0.5
307.26523	0.2
319.08170	0.6
325.09235	0.5
325.16391	1.7
331.15213	1.4
337.09183	0.7
343.17419	0.7
349.16504	0.4
355.10226	0.5
361.18573	0.6
459.03198	0.2
505.20654	29.5
506.20898	0.9
523.21631	1.6
652.35144	0.2
667.26147	0.6
820.72107	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	834.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54165	0.1
63.02359	0.2
67.05498	1.3
69.03426	0.9
69.30777	0.6
71.04989	0.6
77.03931	0.2
79.05485	1.1
81.03388	0.2
81.07056	7.1
83.08607	0.3
85.02893	0.6
85.06523	0.3
87.04427	0.3
89.03914	3.3
89.06006	0.2
91.05463	0.3
93.07022	0.5
95.04964	0.9
95.08598	1.1
97.02898	1.4
97.10167	0.7
99.04457	0.1
99.08102	0.1
105.07029	0.1
107.04955	0.9
107.08575	0.4
109.06520	0.2
109.10112	0.2
111.04446	0.2
111.08041	0.2
115.03913	0.3
117.02558	0.3
117.03376	4.6
119.26363	0.1
123.11709	5.5
133.04971	0.2
133.10129	0.3
135.04411	10.0
136.23529	0.1
141.12657	0.1
145.02846	9.1
146.03221	0.2
151.11174	0.9
163.03896	100.0
164.04242	1.1
165.09119	0.2
169.12233	1.6
178.12680	0.1
181.04974	0.4
182.26949	0.1
186.05565	0.1
187.13280	0.7
277.07129	0.2
303.15912	0.6
319.08261	0.4
325.09192	0.6
325.16440	1.5
331.15308	1.3
337.09134	0.7
343.17365	0.6
349.16440	0.3
355.10266	0.4
361.18579	0.5
370.86859	0.1
505.20673	23.9
506.21088	0.8
523.21753	1.7
624.08276	0.1
664.39203	0.1
667.25018	0.2
670.62927	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	834.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04982	0.2
62.01598	0.1
63.02361	0.4
63.04852	0.1
65.18774	0.1
67.05505	2.3
69.03431	1.2
69.07061	0.8
69.15083	0.9
71.04989	1.0
75.81224	0.1
77.03877	0.1
79.05502	1.4
81.03416	0.3
81.07056	12.7
82.07357	0.2
83.08603	0.5
85.02901	0.9
85.06520	0.9
87.04435	0.5
89.03380	0.2
89.03918	4.6
89.06022	0.2
91.05457	0.5
93.07043	1.4
95.04966	1.6
95.08607	3.0
97.02884	1.5
97.06498	0.2
97.10165	1.3
98.22631	0.2
99.04448	0.3
99.08105	0.2
103.05443	0.2
105.03440	0.2
105.04530	0.2
105.07014	0.4
107.04945	1.2
107.08593	0.9
109.02876	0.3
109.06493	0.6
109.10158	0.8
111.04441	0.2
111.08071	0.5
113.06039	0.2
115.03931	0.5
117.03379	5.9
119.04919	0.2
119.08563	0.2
121.02884	0.2
121.06440	0.2
121.10101	0.3
123.08092	0.2
123.11704	11.8
127.03899	0.5
133.04944	0.5
133.10133	0.6
134.80710	0.1
135.04414	12.3
137.05951	0.6
137.09602	0.3
137.13330	0.2
139.03896	0.2
141.12735	0.5
145.02846	10.2
145.10098	0.2
146.03195	0.2
149.05980	0.3
149.13242	0.3
151.03886	0.2
151.11194	1.9
153.01788	0.3
163.03899	100.0
164.04230	1.5
165.05476	0.3
165.09109	3.8
167.14328	0.2
169.12228	6.3
170.12460	0.1
174.05479	0.1
177.05464	0.4
179.07152	0.2
181.04961	0.3
181.08621	0.3
186.05496	0.2
187.13297	3.8
191.07025	0.2
200.15445	0.2
205.04924	0.2
205.08635	0.2
219.06627	0.1
277.23914	0.2
287.05493	0.2
293.28360	0.3
301.07144	0.2
301.16263	0.2
302.07596	0.2
303.15927	0.7
313.13876	0.2
319.08090	0.3
325.09039	0.4
325.16470	0.6
331.15295	4.2
337.09122	0.4
343.17444	1.0
349.16498	0.5
355.10291	0.3
361.18542	6.2
462.62695	0.1
475.34402	0.2
505.20685	19.0
506.20972	0.7
517.99890	0.1
523.21832	2.0
539.95001	0.2
834.29370	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04982	0.2
62.01598	0.1
63.02361	0.4
63.04852	0.1
65.18774	0.1
67.05505	2.3
69.03431	1.2
69.07061	0.8
69.15083	0.9
71.04989	1.0
75.81224	0.1
77.03877	0.1
79.05502	1.4
81.03416	0.3
81.07056	12.7
82.07357	0.2
83.08603	0.5
85.02901	0.9
85.06520	0.9
87.04435	0.5
89.03380	0.2
89.03918	4.6
89.06022	0.2
91.05457	0.5
93.07043	1.4
95.04966	1.6
95.08607	3.0
97.02884	1.5
97.06498	0.2
97.10165	1.3
98.22631	0.2
99.04448	0.3
99.08105	0.2
103.05443	0.2
105.03440	0.2
105.04530	0.2
105.07014	0.4
107.04945	1.2
107.08593	0.9
109.02876	0.3
109.06493	0.6
109.10158	0.8
111.04441	0.2
111.08071	0.5
113.06039	0.2
115.03931	0.5
117.03379	5.9
119.04919	0.2
119.08563	0.2
121.02884	0.2
121.06440	0.2
121.10101	0.3
123.08092	0.2
123.11704	11.8
127.03899	0.5
133.04944	0.5
133.10133	0.6
134.80710	0.1
135.04414	12.3
137.05951	0.6
137.09602	0.3
137.13330	0.2
139.03896	0.2
141.12735	0.5
145.02846	10.2
145.10098	0.2
146.03195	0.2
149.05980	0.3
149.13242	0.3
151.03886	0.2
151.11194	1.9
153.01788	0.3
163.03899	100.0
164.04230	1.5
165.05476	0.3
165.09109	3.8
167.14328	0.2
169.12228	6.3
170.12460	0.1
174.05479	0.1
177.05464	0.4
179.07152	0.2
181.04961	0.3
181.08621	0.3
186.05496	0.2
187.13297	3.8
191.07025	0.2
200.15445	0.2
205.04924	0.2
205.08635	0.2
219.06627	0.1
277.23914	0.2
287.05493	0.2
293.28360	0.3
301.07144	0.2
301.16263	0.2
302.07596	0.2
303.15927	0.7
313.13876	0.2
319.08090	0.3
325.09039	0.4
325.16470	0.6
331.15295	4.2
337.09122	0.4
343.17444	1.0
349.16498	0.5
355.10291	0.3
361.18542	6.2
462.62695	0.1
475.34402	0.2
505.20685	19.0
506.20972	0.7
517.99890	0.1
523.21832	2.0
539.95001	0.2
834.29370	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77949	27.1
63.03376	27.7
67.05502	70.8
69.07358	27.8
69.20263	100.0
69.20662	57.2
77.91497	28.3
79.26817	33.2
81.07034	62.9
81.69540	29.8
92.35165	29.4
93.07028	28.5
95.08644	55.9
107.08658	31.9
143.66954	31.6
257.09921	36.7
258.24619	28.7
278.93350	33.9
312.64716	32.3
313.27283	67.5
335.25674	48.7
573.48401	34.5
817.40186	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05002	9.0
65.03925	1.1
67.01866	7.6
67.05193	0.6
67.05499	3.6
68.02630	0.6
68.99781	3.9
69.03425	4.8
69.26560	1.6
69.26964	2.1
71.01351	2.1
71.04984	2.0
77.03933	1.1
79.01840	1.2
79.05490	9.8
81.03415	7.5
81.07061	3.2
83.04970	2.1
85.02912	5.6
89.03903	1.8
91.05467	6.2
93.07040	6.6
95.04969	18.9
95.08611	1.1
97.02905	5.7
103.03951	1.3
103.05466	9.4
105.03384	0.8
105.04514	2.3
105.07034	1.6
107.04953	49.5
107.08622	1.2
109.02877	90.4
109.06518	6.3
109.10123	1.3
111.00816	1.1
111.04446	4.1
115.03934	0.7
117.03389	1.7
119.04958	2.1
119.08556	0.6
121.02891	0.6
121.05613	0.8
121.06504	15.4
121.10140	0.7
123.04424	7.8
125.01499	1.1
125.02345	8.3
125.05991	0.9
127.03923	3.6
129.01822	1.6
131.04929	6.0
133.02795	1.1
133.06528	0.7
134.03551	0.7
135.04401	4.5
137.05983	5.8
139.03897	42.1
139.07541	1.5
141.05444	0.8
145.02850	1.6
145.04930	1.1
145.06589	0.9
147.04404	1.0
149.02289	0.7
149.05978	28.0
151.03905	21.7
151.07547	4.6
153.01823	84.2
153.05455	1.8
154.02226	0.7
156.00093	0.7
159.04407	5.4
161.05957	0.9
163.03931	5.9
163.07489	0.8
165.01842	1.7
165.05473	63.9
165.09105	3.6
167.07047	11.9
169.06557	0.7
171.02882	38.8
173.05963	1.0
175.03912	0.6
175.07640	0.9
177.05466	100.0
178.05817	1.3
179.03378	9.9
180.19687	0.6
181.08655	1.3
183.02931	1.9
183.06599	0.8
189.01842	2.2
189.05440	0.6
191.03452	1.6
191.06984	3.9
195.02881	10.2
195.06531	8.7
201.05496	0.7
205.04962	1.0
207.02815	0.9
209.08089	65.6
217.04988	0.7
219.02956	1.2
219.06419	1.2
227.09102	1.3
231.02742	1.5
233.07979	0.8
249.03897	1.0
251.09251	0.7
259.02426	1.3
261.03998	1.7
261.07571	0.9
268.65384	0.8
269.10324	0.6
277.03528	0.8
279.05038	0.9
285.07608	1.4
286.04779	1.5
287.05600	0.9
291.04968	1.5
295.08133	1.0
301.06927	4.3
303.08618	93.3
304.08939	2.1
311.05228	0.9
315.08630	2.1
321.09637	1.7
327.08609	1.5
329.06555	0.9
329.10110	1.5
339.10611	2.9
345.09760	5.0
369.09613	2.6
397.09085	1.4
411.10635	2.5
419.48618	0.6
429.11481	1.3
441.11713	2.5
447.12891	1.3
457.32785	1.3
461.12302	1.7
465.13992	1.3
479.13419	1.4
511.15610	1.2
571.14893	1.0
597.16083	1.1
623.17957	1.2
835.41583	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	835.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	1.6
65.03963	2.7
67.05502	4.2
67.55997	1.2
68.99796	4.0
69.03429	12.5
69.07081	1.8
69.15739	2.8
69.16134	5.9
70.13750	1.1
71.01350	3.1
77.03908	1.4
79.05488	5.8
81.03412	7.6
81.07056	4.0
83.01341	1.2
83.04959	3.9
85.02904	17.8
89.03904	6.3
91.05480	5.3
92.04670	1.1
93.07043	4.2
95.04974	11.6
95.08586	1.4
96.18215	1.1
97.02892	9.4
99.04439	1.2
103.05470	6.5
105.03399	3.3
105.07039	3.7
107.04943	7.8
107.08593	2.0
108.86530	1.1
109.02862	11.6
109.06540	1.9
109.10136	2.4
111.04468	6.4
115.05460	2.9
117.03406	7.0
117.06997	4.9
119.04942	2.3
119.08550	1.5
121.02882	4.8
121.06532	6.1
121.10152	1.6
123.04454	6.4
125.02347	2.8
125.05959	1.5
125.09644	1.2
127.03918	3.5
128.06252	2.4
129.07031	1.8
131.04919	9.8
131.08575	2.0
133.02853	3.2
133.06508	2.5
134.03654	1.5
135.04413	12.9
135.08051	1.4
137.02347	2.7
137.05988	11.2
137.09637	2.1
139.03894	63.2
141.06966	1.3
143.04910	1.7
145.02834	4.8
145.04884	2.4
145.06502	12.0
147.04382	4.3
149.02321	14.7
149.06004	15.0
149.09630	1.4
151.03891	14.4
151.07552	4.7
153.01819	10.8
153.05450	1.6
153.06966	2.1
155.04857	1.4
157.06548	2.7
159.04448	6.8
159.08002	2.1
161.05933	2.5
163.03906	25.9
163.07500	3.1
165.01826	24.5
165.05478	59.8
165.09122	13.2
167.03395	3.6
167.07048	1.6
169.06496	2.7
171.02997	1.5
171.04422	3.4
173.05960	14.2
175.03853	2.8
177.01891	3.7
177.05463	100.0
178.05763	1.3
178.99840	1.3
179.03380	45.8
179.08794	1.3
181.01340	1.6
181.06505	3.2
183.02914	12.5
183.04390	2.7
185.06026	1.9
187.03966	2.3
187.07552	4.0
189.01770	10.5
189.05440	4.3
191.03389	28.6
191.06963	7.5
197.00844	2.4
197.04382	1.8
197.05989	2.5
199.03908	3.4
199.07442	1.6
201.05435	14.7
203.03397	8.1
205.01321	1.9
205.04865	10.1
207.02937	9.7
209.04263	6.1
209.06010	4.7
209.08089	4.2
210.06750	1.1
213.05409	5.9
215.03304	3.0
215.07039	2.7
217.04997	6.2
219.02878	2.4
219.06499	5.4
221.04437	4.2
225.05455	1.6
227.03352	3.6
227.07063	2.4
229.04973	9.6
231.02838	3.0
231.06531	15.4
233.04434	2.4
233.08192	1.3
235.02429	7.4
237.05667	6.4
239.07111	1.9
241.04951	14.2
243.06520	3.3
245.04486	4.9
245.08170	1.9
249.07610	1.5
253.04953	1.4
255.02818	2.6
255.06577	13.0
257.04492	5.7
257.08075	1.1
259.02374	3.1
259.05951	9.9
261.07568	1.4
265.04968	9.9
267.02637	1.3
267.06461	3.5
269.04544	6.9
269.07175	1.6
271.06003	2.7
273.03952	25.6
273.07291	2.9
275.05341	1.3
277.03394	3.2
281.04782	1.3
282.05334	1.2
283.05984	26.8
285.03854	3.1
285.07410	1.8
287.05450	12.8
291.05164	1.3
293.04373	7.6
295.05972	2.3
297.07574	1.8
299.05527	4.0
301.04089	1.3
301.07047	7.6
303.05435	1.4
303.08548	5.9
305.06647	2.7
307.05893	1.9
311.05481	57.8
315.05185	2.4
315.08621	7.0
323.05310	2.2
325.06790	5.4
327.08551	3.0
329.06616	47.5
329.10236	9.7
330.07043	1.7
335.05438	2.7
339.04953	2.1
339.08658	3.4
341.06564	1.7
341.10202	19.8
343.08148	32.1
347.07626	9.3
349.07120	1.9
353.06396	3.9
355.07956	1.6
355.11670	2.9
361.09186	67.0
362.09387	2.6
371.07626	3.2
377.06641	3.7
385.09274	7.0
391.11890	2.0
395.07327	3.0
403.10013	4.8
407.07492	1.5
409.09088	4.4
409.13379	2.7
419.90869	1.2
423.10767	5.1
427.09940	4.0
433.12582	3.3
435.10107	1.5
443.11005	1.3
455.09546	3.9
461.12335	34.1
462.12567	1.7
469.11398	2.7
473.11084	4.1
475.13745	2.1
479.13367	55.1
487.12408	2.7
491.13043	2.0
493.14899	30.7
497.14664	2.6
503.13223	3.3
505.13501	6.8
511.15979	43.7
521.14252	4.3
523.15375	4.7
527.13300	1.9
535.15759	3.6
545.14661	2.1
569.14209	2.0
575.31720	2.8
577.17230	2.9
587.15118	2.4
589.16711	2.8
605.16266	7.8
623.17517	3.2
673.21136	7.1
835.30103	9.9
869.39429	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	0.8
65.03918	1.0
66.03146	0.4
67.05499	2.4
67.05795	0.6
68.99786	3.3
69.03429	7.5
69.30166	2.2
71.01331	1.7
71.04950	0.7
73.02903	0.5
77.03909	0.7
79.05496	3.2
81.03413	4.3
81.07024	1.9
83.01303	1.1
83.04984	2.0
85.02415	0.5
85.02901	8.6
85.06544	0.4
87.04475	0.8
89.03909	5.4
91.05482	3.5
93.07007	1.6
95.01308	0.5
95.04411	0.7
95.04966	7.8
95.08578	1.4
97.02892	3.8
99.00803	0.4
99.04456	0.6
103.03886	0.5
103.05460	3.9
105.03355	1.6
105.04527	0.9
105.07004	1.4
107.04951	4.0
107.08580	1.0
109.02879	10.2
109.06471	1.2
109.10131	1.2
111.00767	0.7
111.04441	3.1
115.03933	0.4
115.05443	1.8
117.03378	5.1
117.07021	2.4
119.04963	2.3
119.08559	1.2
121.02863	2.9
121.06512	4.6
121.10091	0.6
122.03635	0.4
123.04421	5.4
123.11699	0.6
125.02303	1.4
125.05952	0.5
127.03886	1.9
128.06218	0.6
129.06975	1.5
131.04916	4.4
131.08525	1.0
133.02817	1.4
133.06465	0.8
134.03610	1.3
135.04410	8.7
135.08022	0.9
136.04710	0.5
137.02338	2.8
137.05975	6.3
137.09608	1.4
139.03897	37.5
141.01799	1.2
141.05412	0.7
141.06975	1.2
143.04922	0.9
143.08545	0.8
145.02834	3.1
145.03767	0.4
145.04977	1.2
145.06479	6.4
147.04395	2.2
147.08038	0.7
149.01228	0.8
149.02332	9.0
149.04857	0.8
149.05980	10.7
149.07158	0.6
151.03911	8.7
151.07527	1.8
153.01834	5.5
153.05487	0.9
153.06984	0.9
155.03456	0.6
155.04875	0.7
155.06020	0.5
157.06482	0.9
159.04375	5.1
159.08060	1.3
161.05948	1.2
162.03206	0.6
163.03914	14.0
163.07501	1.5
164.04251	0.7
165.01834	23.0
165.05484	27.5
165.09116	14.7
166.02118	0.5
166.09419	1.3
167.03394	2.3
167.04767	0.5
167.06985	0.9
169.06480	1.7
170.26198	0.4
171.04417	1.2
171.08090	0.7
172.86998	0.5
173.05972	8.4
175.03777	1.1
175.07542	0.8
176.04575	0.6
177.01895	1.5
177.05467	75.0
178.05850	0.8
178.99858	1.4
179.03387	45.6
180.03783	0.7
181.01289	1.4
181.04973	0.9
181.06483	1.5
183.02901	9.4
183.04376	0.9
183.08026	0.6
185.05930	2.0
187.03870	0.6
187.07489	2.0
189.01813	6.2
189.05423	1.6
191.03375	31.0
191.07014	4.4
195.02847	1.0
195.04446	0.9
197.00854	2.3
197.04372	1.2
197.06004	1.8
199.03897	2.0
199.07512	1.0
201.05469	8.0
203.03346	2.7
203.07063	0.7
205.01321	1.4
205.04825	12.2
205.12314	1.0
207.02878	6.8
209.04433	55.2
209.07985	2.8
210.04788	1.0
211.03831	0.6
211.07486	0.5
213.05484	3.3
215.03400	1.3
215.07030	1.7
217.01456	0.5
217.05003	2.1
218.05495	1.8
219.02998	0.5
219.06511	4.6
221.04457	1.1
223.04070	0.7
225.05402	1.1
227.03328	1.7
227.07007	2.3
229.04948	5.9
231.02908	1.2
231.06505	11.6
232.07031	1.5
233.00836	0.7
233.04466	1.6
233.08061	0.8
235.02333	3.8
235.05942	0.6
237.03577	0.9
237.05775	2.5
239.03433	0.9
239.07031	0.6
241.04942	12.8
243.06491	2.8
245.04480	3.1
245.08177	1.0
249.07451	0.7
253.04887	1.2
255.02837	1.1
255.06497	10.6
255.09013	0.6
257.04431	2.3
257.08289	0.9
259.02423	2.4
259.06000	7.8
261.04010	1.1
261.07574	1.3
265.05038	6.1
267.03073	0.4
267.06534	1.2
269.04388	2.9
271.06000	1.4
273.03934	11.4
273.07471	1.5
274.04449	0.5
277.03448	3.1
277.06436	0.5
281.04224	0.6
283.05997	19.0
283.09134	0.9
284.06454	0.6
285.03922	1.4
285.07599	1.3
287.05524	3.3
293.04413	6.3
296.83945	0.4
297.07410	1.0
299.05518	1.9
301.03619	0.8
301.06992	6.7
303.08603	4.8
305.06769	0.9
305.24667	1.4
309.03885	1.1
309.07507	0.8
311.05478	38.8
312.05765	0.6
315.05093	0.5
315.08603	7.3
323.09109	0.8
325.06976	2.5
329.06546	31.6
329.10251	10.8
330.06937	1.0
331.08109	0.6
339.04944	0.8
339.08731	2.6
341.10193	23.9
342.10345	0.5
343.08133	6.7
347.07648	5.4
349.07089	0.8
353.06418	1.0
355.08020	1.1
355.11795	2.1
361.09149	14.8
371.07645	0.6
377.06653	0.7
379.11703	2.1
381.13327	1.7
385.09344	0.9
391.12000	4.5
393.13577	0.5
395.07281	0.7
403.10193	0.7
405.13611	0.6
407.11139	0.5
409.08405	0.9
409.13422	3.8
415.13052	0.9
423.10736	5.7
425.15552	1.5
427.10095	0.5
428.21530	0.4
429.15173	1.8
433.12927	3.1
437.08035	0.5
441.11966	0.6
443.11249	2.2
451.13864	1.9
457.33231	1.1
458.33279	0.9
461.12283	30.4
465.15341	1.2
473.10977	0.7
475.13727	2.6
479.13358	55.6
480.13913	1.4
487.12622	0.7
491.13684	0.7
493.14908	35.8
494.15302	1.8
503.13086	0.9
505.13501	1.3
511.16003	100.0
512.16296	3.3
535.15979	0.6
545.15076	0.5
577.17029	0.6
605.16766	0.8
623.17639	1.2
648.44714	0.4
655.19916	1.2
673.21295	5.5
835.31268	17.5
836.31360	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	1.2
63.17448	0.5
65.03932	1.4
66.04684	0.7
67.05505	3.1
68.99782	3.0
69.03421	6.9
69.07037	0.7
69.28842	2.8
71.01321	1.8
77.00220	0.5
77.03918	1.2
79.01820	0.8
79.05508	3.4
81.03424	5.4
81.07030	1.9
83.01339	1.0
83.04963	2.0
83.08601	0.6
85.02901	9.6
89.03909	5.5
91.05461	3.2
93.03369	0.7
93.07039	1.8
95.04968	8.6
95.08597	1.3
97.02887	3.7
99.00826	0.7
99.04448	0.9
103.03926	0.6
103.05461	4.0
103.27001	0.5
105.03390	1.8
105.04498	1.5
105.07004	1.5
107.04934	4.4
107.08584	1.1
109.02177	0.9
109.02872	12.8
109.06503	1.4
109.10142	1.6
111.00768	0.5
111.04433	4.4
114.40559	0.6
115.05447	1.2
117.03380	6.0
117.07014	2.6
119.04913	2.1
119.08578	0.7
121.02872	3.7
121.06501	4.6
122.03668	0.7
123.04421	5.0
123.11687	1.0
125.02351	1.6
127.03902	1.6
128.06242	0.6
129.06961	1.4
131.04887	4.2
131.08578	1.3
133.02779	1.2
133.06485	0.9
134.03575	1.1
135.03453	0.9
135.04413	8.8
135.08040	0.8
137.02301	1.9
137.05960	5.3
137.09615	1.3
139.00269	1.1
139.03893	41.8
141.01843	0.7
141.05421	0.7
141.06944	1.1
143.04904	1.0
143.08495	0.6
145.02853	4.5
145.04980	1.6
145.06465	7.3
145.10150	0.6
147.04387	2.0
147.08002	0.6
149.02344	10.0
149.05972	12.1
151.03893	7.9
151.07515	2.9
153.01814	8.2
153.06952	1.3
155.04880	2.0
155.06030	0.7
157.06471	1.6
159.04398	4.7
159.08035	1.4
161.02335	0.7
161.06033	1.3
162.03072	0.7
163.03908	15.4
163.07535	2.1
164.04228	0.7
165.01834	27.9
165.05479	33.5
165.09102	18.0
166.09431	1.8
167.03381	2.4
167.04701	0.6
167.07040	1.1
169.06479	2.3
171.04404	2.1
171.08049	0.8
173.05978	9.2
175.03824	1.6
175.07510	1.0
177.05463	88.7
178.05812	0.7
178.99869	1.7
179.03383	52.3
181.01349	1.6
181.06476	2.0
183.02898	8.8
183.04352	0.9
185.05998	2.3
187.03912	0.9
187.07541	1.8
189.01828	7.1
189.05415	1.2
191.03378	37.8
191.06993	5.1
195.02905	0.9
195.04509	0.6
197.00804	1.9
197.04425	1.4
197.05969	2.3
199.03944	1.7
199.07523	1.0
201.05470	11.7
203.03355	2.9
203.06940	0.8
205.01408	1.1
205.04805	13.8
205.12234	1.0
207.02881	7.3
209.04431	58.3
209.07965	2.3
213.05432	4.5
215.03438	1.0
215.07021	1.6
217.04955	3.1
218.05504	1.7
219.06511	4.4
221.04449	1.2
225.05493	1.9
227.03375	2.3
227.07042	2.1
229.04985	7.4
231.02856	1.5
231.06482	14.3
231.08659	0.8
232.07079	1.9
233.04436	1.1
235.02341	4.8
235.05905	0.7
237.05717	3.3
239.03214	0.8
239.07130	0.7
241.04959	15.3
243.06604	3.4
245.04454	3.5
245.08092	1.2
247.06108	0.6
247.88077	0.6
253.04945	1.0
255.02994	0.7
255.03589	0.9
255.06519	11.5
257.04495	2.6
257.07980	1.2
259.02448	4.4
259.05984	8.6
261.03867	1.2
261.07651	0.9
265.05002	8.3
267.02832	0.9
267.06470	2.2
269.04422	2.9
271.06085	2.2
273.03952	11.9
273.07513	2.2
277.03442	3.9
277.07056	0.9
281.04517	0.6
283.05984	22.8
285.03983	1.2
285.07394	0.7
287.05460	3.9
287.08902	1.1
293.04431	7.2
295.05832	0.7
299.05484	2.0
301.07010	7.1
303.08624	4.7
305.24713	1.5
309.03940	1.3
311.05475	43.7
315.08554	9.2
319.08057	0.7
323.09308	0.7
325.06909	2.9
327.08688	1.0
329.06555	35.4
329.10257	12.6
339.08566	2.7
341.06046	1.4
341.10181	25.5
343.08054	6.8
347.07697	6.6
349.06790	1.2
353.06531	1.4
355.08072	0.9
355.11829	2.5
361.09195	16.9
371.07620	0.8
377.06277	0.8
379.11786	1.7
381.13290	1.8
391.11890	4.8
409.08228	0.7
409.13345	4.2
412.14819	0.7
415.13654	0.8
423.10571	6.8
425.15805	1.0
429.15421	1.2
433.12729	2.9
435.14111	0.9
443.11377	2.4
451.13797	1.7
455.08792	0.8
457.33142	1.1
461.12302	31.2
465.15359	1.0
475.13901	3.4
475.33960	0.7
479.13364	59.8
480.14008	1.2
493.14902	39.3
511.16000	100.0
512.16187	2.7
524.37415	0.6
535.16168	0.7
605.16602	1.3
623.17334	0.9
641.18903	0.7
655.20782	1.0
673.21075	5.1
728.01141	0.6
835.31140	12.2
835.46265	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	0.8
69.03394	1.4
69.07040	0.8
70.06529	0.4
71.45275	0.3
79.05489	0.5
81.03393	0.8
81.07056	2.0
83.04956	0.5
84.08878	0.3
85.02913	2.6
85.06491	0.3
85.82896	0.4
89.03885	0.5
91.05441	1.3
93.07035	0.6
95.04942	1.1
95.08599	2.6
96.08966	0.4
97.02859	1.2
97.10150	0.4
101.36684	0.3
105.07011	1.1
107.04942	1.3
107.08565	1.0
108.35321	0.3
109.02905	0.9
109.10149	2.0
110.10491	0.7
117.03376	0.7
119.04919	0.9
119.08595	0.7
121.06411	0.4
121.10077	0.5
123.11715	1.8
124.12038	0.5
131.04883	0.8
133.10124	0.5
135.04408	1.3
135.11610	0.3
137.05948	1.5
137.09619	1.2
137.13240	0.7
145.02792	0.9
145.04947	0.7
145.06471	0.5
147.04373	1.0
147.11679	0.5
149.06012	0.9
149.09621	0.4
151.03865	0.6
151.07568	0.5
153.01781	0.6
159.11703	0.5
161.05962	0.6
163.03905	11.5
163.07573	0.4
164.04228	3.0
165.01810	2.4
165.04327	0.8
165.05508	0.9
165.09106	12.7
166.02171	0.6
166.09473	1.2
167.07040	0.8
171.02832	0.5
171.04329	0.3
173.05859	0.4
175.03738	1.4
176.04437	0.6
177.05438	4.0
178.05800	1.3
179.03415	0.5
179.17992	0.8
181.04967	4.1
182.05298	1.7
183.02904	1.2
183.05472	0.4
189.05409	1.8
190.05792	0.8
191.03415	0.5
197.19090	0.8
198.19241	0.5
199.03854	0.6
201.05273	0.6
203.03192	0.6
205.04720	51.9
205.12253	1.1
206.05058	1.7
209.07977	0.4
217.04851	1.2
218.05484	7.7
219.06241	1.2
229.04997	0.5
231.06369	0.7
232.07092	6.5
246.07434	0.4
249.07344	1.6
253.04985	0.8
281.04419	1.0
282.04944	0.9
283.05307	0.6
287.05508	1.1
299.05508	1.0
301.06927	0.6
303.08600	1.8
304.09021	0.7
305.09381	0.6
305.24756	1.5
306.25220	0.4
309.03909	1.1
310.04401	0.6
311.05142	0.4
316.09058	0.8
327.05112	0.9
328.05475	0.8
329.05939	0.8
341.06570	0.9
342.06729	0.8
367.11618	0.4
379.11627	0.5
381.12967	0.6
382.13782	1.0
394.13855	0.8
395.14658	0.5
397.12598	1.7
408.07968	0.5
409.08450	0.5
411.14346	0.8
412.14764	2.7
413.15747	0.7
415.13568	5.8
425.15735	11.0
427.13614	0.6
429.15152	10.5
429.20697	0.7
430.15799	0.6
439.17261	0.7
455.17081	0.5
457.33273	1.0
458.33572	1.1
459.11154	0.5
460.11490	0.6
461.11459	0.7
477.11945	0.5
478.11951	0.6
479.12863	1.2
491.13550	1.6
492.13754	2.5
493.13950	3.4
511.15686	1.1
623.22003	0.5
638.23669	1.5
639.23492	0.5
835.31323	100.0
836.31525	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	835.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
63.67929	0.1
65.29920	0.1
67.05499	2.0
69.03425	0.4
69.07082	0.6
71.04970	0.1
71.45140	0.2
77.03911	0.2
79.05482	0.4
81.03420	0.2
81.07055	2.9
82.07374	0.2
83.04955	0.3
83.08614	0.2
85.02903	0.9
89.03905	0.1
91.05482	0.5
93.07047	0.5
95.04958	0.3
95.08604	2.8
97.02879	0.4
97.06557	0.2
97.10173	0.2
99.08092	0.1
101.06011	0.3
105.07010	0.3
107.04948	0.4
107.08555	0.6
109.02885	0.2
109.06506	0.2
109.10151	4.4
110.10503	0.2
111.04429	0.1
111.11695	0.2
113.09619	0.3
115.07564	0.2
117.03351	0.1
117.07001	0.1
119.04862	0.1
119.08576	1.4
121.01789	0.1
121.06471	0.2
121.10172	0.5
122.07273	0.8
123.08082	0.2
123.11687	1.0
124.12004	0.1
125.05913	0.1
127.03923	0.2
127.11163	0.2
129.05486	0.1
129.09073	0.1
131.04964	0.2
133.10054	0.2
135.04405	0.3
135.11650	0.2
137.05956	0.4
137.09607	7.5
137.13220	0.4
138.09923	0.3
139.03909	0.3
141.09048	0.1
141.12753	0.1
143.07039	0.2
143.08362	0.1
145.02827	0.3
145.04953	0.3
145.10132	0.1
146.03183	0.1
147.04384	0.3
147.07990	0.1
147.11723	0.1
149.09625	0.3
149.13239	0.5
151.03923	0.2
151.11154	0.2
151.14786	0.8
153.01848	0.4
153.09111	0.4
157.08521	0.2
161.09547	0.2
161.13217	0.1
163.03896	2.3
163.11166	0.1
163.14832	0.4
164.04262	0.6
165.09102	100.0
166.09435	4.6
167.14279	0.2
169.12225	0.1
177.05455	0.4
177.09096	0.5
177.16391	0.2
179.10651	1.3
181.04843	0.2
181.15877	0.1
187.11078	0.1
189.12811	0.2
190.09875	0.2
191.10603	0.2
205.04654	0.2
205.12221	2.9
213.14856	0.3
219.21106	0.1
221.15413	0.2
247.16930	0.1
251.23653	0.3
255.14937	0.1
259.24149	0.4
277.25204	0.8
286.04779	0.2
287.05405	0.4
287.23886	0.1
301.07089	0.4
305.24640	0.2
309.24072	0.2
311.05487	0.2
323.25766	3.8
324.26114	0.5
337.07217	0.1
349.06747	0.1
411.32642	0.3
429.33691	1.1
430.33789	0.2
457.33255	0.6
461.12415	0.1
475.34167	6.6
476.34396	0.9
479.13126	0.2
493.14310	0.1
497.06564	0.1
506.20801	0.2
511.14935	0.2
673.20282	0.5
835.31464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.56481	0.1
64.49030	0.1
67.05505	1.3
69.03413	0.3
69.07067	0.8
69.85838	0.2
69.86170	0.1
71.08646	0.1
73.24055	0.1
79.05496	0.2
81.03440	0.1
81.07049	1.2
83.04971	0.3
83.08603	0.7
85.02901	1.2
91.05466	0.4
93.07037	0.3
95.04955	0.2
95.08604	1.2
97.02891	0.4
97.06523	0.1
97.10155	0.6
105.07037	0.1
107.04999	0.1
107.08581	0.3
109.02885	0.2
109.10150	3.5
111.11740	0.2
119.08567	1.3
121.10136	0.3
122.07277	0.6
123.08055	0.1
123.11723	0.5
127.03915	0.3
127.11192	0.3
135.08020	0.1
135.11702	0.2
137.09607	7.1
137.13225	0.2
139.14861	0.1
141.12749	0.3
145.04958	0.3
149.09598	0.2
151.14819	0.2
153.09084	0.7
153.16350	0.2
155.14270	0.2
159.11714	0.1
163.03972	0.1
165.09105	100.0
166.09424	1.0
169.15866	0.1
170.95673	0.1
173.11725	0.2
177.09116	0.2
182.50285	0.1
183.17447	0.2
187.13269	0.1
191.17923	0.2
197.18983	0.7
201.15060	0.1
209.18925	0.2
229.18019	0.2
243.19551	0.5
255.19386	0.2
261.25650	0.3
279.26822	2.1
289.25195	0.2
307.26376	0.2
325.27344	1.3
334.03439	0.1
431.35092	0.7
441.33548	0.2
459.34473	0.9
463.09747	0.1
477.35733	8.2
478.35999	0.3
582.59558	0.1
709.22937	0.1
837.38074	0.1
840.26282	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	837.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
65.07584	0.1
67.01862	0.3
67.05499	0.5
68.01337	0.1
68.99796	0.3
69.03422	0.6
69.07057	0.3
69.08897	0.3
69.09319	0.4
70.70676	0.1
76.13986	0.1
79.05486	0.3
81.03409	0.6
81.07061	0.7
83.05005	0.1
85.02914	0.7
89.03936	0.1
91.05497	0.2
93.07055	0.9
95.04961	0.2
95.08604	0.3
97.02885	0.3
97.06527	0.2
99.04472	0.2
105.07033	0.4
107.04955	0.3
107.08606	1.0
108.58381	0.1
109.02882	0.5
109.06524	0.3
109.10133	0.5
111.04469	0.2
111.08089	0.2
117.03401	0.3
117.07040	0.2
119.08566	0.3
121.06473	0.4
121.10135	0.5
123.04417	0.2
123.11709	0.4
127.03944	0.4
131.04901	0.2
135.04434	1.1
135.08096	0.2
135.11697	0.2
137.02324	0.7
137.05991	0.5
137.09616	0.5
145.10101	0.4
148.05077	0.1
149.09618	0.3
151.03835	0.2
151.07544	0.2
153.01814	3.9
161.02342	0.7
161.05931	0.2
163.03880	1.0
163.07585	0.1
163.11201	0.8
164.04219	0.2
165.05495	0.2
165.09114	6.2
166.09550	0.7
167.07034	0.3
167.10721	0.3
169.08604	0.7
171.02913	0.8
177.05432	0.3
179.03421	0.4
181.04912	0.2
181.12180	0.2
191.10681	0.6
203.03355	0.2
205.12123	0.3
209.11755	0.4
213.05600	0.2
219.06532	0.2
227.12743	1.0
241.04961	0.5
245.04494	0.2
269.04416	0.3
271.05975	0.3
286.04669	0.3
287.05490	100.0
288.05859	1.6
307.26312	0.4
329.06558	0.4
339.13751	0.2
353.15802	0.3
367.13083	0.2
391.71506	0.1
395.07562	0.2
431.09723	0.1
441.33627	0.3
442.34082	0.2
449.10870	2.0
459.34448	0.4
460.34567	0.3
613.22546	0.2
657.21405	0.4
675.22815	4.7
682.26105	0.6
837.30402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08165	0.4
67.05165	0.6
67.05500	7.3
69.06717	0.7
69.07067	12.0
69.52559	0.4
69.52853	1.6
71.04980	0.4
71.07367	5.4
71.08624	2.2
75.70716	0.4
79.05478	3.1
81.07052	8.4
83.08612	8.9
85.06561	0.4
85.10156	1.2
86.09701	31.9
86.59743	0.4
91.05453	1.0
93.07047	4.4
95.04920	0.4
95.08598	7.3
97.06513	1.8
97.10166	5.0
98.23512	0.3
104.10104	0.5
104.10744	6.9
105.06989	0.5
107.08583	2.8
109.10149	3.6
111.08053	0.5
111.11699	1.8
111.17976	0.3
121.10138	4.3
123.11671	1.0
123.73413	0.3
124.99989	0.7
125.09595	0.6
135.11690	3.7
139.11137	0.5
146.98169	46.8
149.03639	0.4
149.13254	1.8
153.12796	0.6
163.14822	0.7
164.99294	1.0
184.07356	1.4
188.00842	1.0
200.45583	0.3
247.24309	0.4
247.31866	0.3
254.26277	0.4
265.25146	0.7
323.66495	0.4
339.28894	16.6
353.21674	0.4
362.34125	0.4
484.24857	0.3
485.26370	31.2
486.26318	0.9
510.16037	0.4
544.33698	100.0
545.33923	3.2
689.64551	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	6.2
65.74244	3.6
67.05500	97.5
69.03434	8.3
69.07073	40.9
71.04997	7.7
79.05490	95.2
81.03431	12.6
81.07056	100.0
83.04987	12.3
83.08618	22.4
85.02895	6.6
85.06525	5.6
91.05479	92.5
93.07045	94.3
95.04963	21.4
95.08607	51.4
97.02898	6.2
97.06528	12.3
97.10188	15.3
103.05499	4.8
105.04516	4.8
105.07025	86.4
107.04953	10.7
107.08592	46.5
109.06525	8.6
109.10147	23.1
111.08083	5.0
113.09666	4.3
115.05437	3.5
117.07031	34.1
118.97887	3.2
119.08578	68.8
121.10139	33.3
123.08112	5.5
123.11678	6.2
125.00030	4.9
125.09653	7.1
129.07019	19.5
131.08556	41.0
133.10115	54.9
135.08069	6.6
135.11725	21.2
141.06940	6.2
142.07805	3.9
143.08577	22.1
145.10133	36.5
147.11681	38.5
149.09616	12.2
149.13263	15.5
151.11131	5.5
155.08577	11.0
157.10126	21.1
159.11703	25.5
161.13229	22.2
163.11212	9.3
167.08606	8.5
169.10155	16.1
171.11714	21.2
173.04562	4.7
173.13211	16.8
175.14778	8.7
177.09209	3.7
177.12756	4.7
179.08498	4.7
181.10136	10.9
183.11693	14.0
184.07390	21.6
185.13260	19.0
187.14854	5.5
189.12936	4.1
195.11713	3.8
197.13310	11.7
199.14854	8.6
201.16420	4.3
205.10068	4.5
209.13193	5.5
211.14755	5.1
213.16492	5.7
227.12825	5.7
231.21181	6.4
241.19508	12.5
255.15941	10.3
257.18964	4.9
259.20581	43.1
267.16019	5.1
269.17480	15.2
275.20099	19.5
315.23416	5.2
324.79602	4.1
333.24210	46.4
349.23691	15.1
367.25171	4.4
435.32745	5.4
471.35001	4.9
509.36493	4.6
513.35480	26.2
515.37732	9.6
527.37238	46.5
545.37927	5.4
563.57312	4.2
607.43475	33.2
625.44385	35.3
780.80994	4.8
871.56433	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	845.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	4.5
67.05510	3.6
69.03429	2.2
69.07084	2.0
69.59099	1.3
69.59493	1.2
71.24064	0.7
73.02925	2.9
77.63203	0.7
79.05494	4.9
81.03445	1.4
81.07043	4.0
83.04961	0.8
85.02906	4.3
86.09722	1.3
91.03969	3.1
91.04991	0.6
91.05452	3.4
93.07054	5.5
95.08619	2.9
97.02892	3.7
99.04462	0.7
101.02393	2.0
105.07036	2.8
107.08633	2.4
109.10185	1.0
118.09924	0.8
119.08613	2.4
121.10157	1.3
124.99908	0.9
127.03912	1.3
129.07018	0.6
131.08598	1.6
133.10164	1.8
135.11720	1.4
147.11723	1.8
149.13339	1.1
184.07434	2.9
185.04254	1.0
197.43335	0.6
203.89381	0.7
224.87254	0.7
238.42235	0.7
243.08344	4.4
263.06976	0.8
301.09073	1.4
317.20932	0.8
333.20569	2.6
385.07443	0.7
439.19113	1.0
453.21005	1.3
465.20944	1.0
515.43842	0.8
535.28766	6.1
551.28180	5.8
551.62439	0.8
623.30933	1.3
845.50177	100.0
846.50531	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	846.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	2.3
65.03941	5.4
67.05505	11.2
67.47890	1.7
69.03426	7.2
69.21499	11.6
70.49699	1.6
70.92493	1.6
71.01351	8.3
71.05001	2.1
72.15597	1.9
77.03941	3.7
79.05483	13.9
81.03429	8.9
81.07047	3.4
83.01329	2.6
83.04971	2.7
84.08179	2.4
85.02887	9.2
86.44047	1.8
89.03909	2.1
91.05480	21.9
93.03409	2.4
93.07038	5.6
95.04970	79.0
97.02904	12.5
98.22773	4.1
102.04682	2.0
103.05492	10.6
105.03396	15.2
105.04516	3.2
105.07045	6.2
107.04964	16.2
107.08573	4.3
109.02879	6.8
109.06540	4.9
111.04450	3.1
115.05464	7.4
117.03414	1.9
117.07027	6.5
119.04933	14.6
119.08572	6.0
121.02880	17.9
121.06497	13.6
123.04427	22.4
125.02358	5.0
125.06033	4.7
127.03905	5.7
128.06227	6.9
129.06966	9.1
131.04912	17.4
131.08559	4.4
133.02872	9.5
133.06502	8.2
135.04422	27.9
137.05986	15.6
139.03906	13.0
141.07008	4.0
143.08562	7.0
144.05711	2.4
145.06451	9.1
147.04395	29.3
147.08023	4.6
149.02342	10.8
149.05971	15.6
151.03903	81.8
151.07549	2.4
153.05473	7.4
153.07013	8.3
155.04959	4.2
155.07481	2.1
155.08548	10.0
157.02824	2.1
157.06506	8.4
159.04413	55.3
161.05986	6.4
163.03899	24.8
163.07524	4.7
165.01845	2.1
165.05493	71.1
165.06967	9.0
166.05815	1.9
166.07741	2.9
167.03441	4.0
167.07069	21.6
167.08569	8.1
169.06502	4.0
171.04510	3.7
171.08026	9.8
173.05957	10.5
173.09639	2.3
173.13283	4.7
175.03900	37.5
175.07582	6.8
177.05453	15.8
177.07031	5.0
178.07782	7.2
179.07222	3.2
179.08514	10.7
181.05031	3.3
181.06378	9.3
183.04425	7.3
183.06630	2.4
183.08008	10.1
185.05997	7.8
187.03909	4.6
187.07561	5.2
189.05441	5.9
189.07005	3.8
191.07021	5.8
191.08614	3.6
192.07852	5.1
193.04950	8.7
194.74921	2.0
195.06512	3.1
195.08104	8.7
197.06062	5.1
197.07939	2.1
199.03934	7.3
199.07555	16.0
201.05519	10.3
201.09129	4.1
202.07848	3.2
203.03386	7.7
203.06996	3.5
203.08607	2.3
205.06538	4.5
207.06380	2.5
207.08102	8.4
209.06035	8.7
211.07544	10.5
213.05504	4.2
215.06941	2.8
216.09247	2.7
217.04938	2.7
217.08592	5.4
219.10127	2.8
221.04408	7.3
223.07622	11.5
225.05481	4.2
225.09138	8.1
227.03462	3.2
227.07062	16.9
229.05019	10.2
229.08467	3.4
231.06267	3.7
233.06099	3.7
233.09727	2.7
235.07541	12.0
237.05434	6.6
241.08566	8.1
245.04454	4.0
245.08168	6.6
251.07056	16.6
253.08623	8.6
255.03088	2.1
255.06529	7.2
257.09763	2.8
261.05444	3.3
261.09216	2.8
263.06979	5.8
265.08765	2.4
269.07944	3.5
271.06110	2.0
271.09705	2.4
273.07587	9.9
275.10745	4.6
279.06403	14.1
281.08130	12.9
283.05862	3.3
285.08923	3.1
287.05536	2.5
289.04871	3.3
291.08722	4.5
297.07571	10.6
297.10800	2.3
299.09192	3.9
303.10162	6.0
305.11697	2.9
307.05899	5.7
307.09491	4.2
309.07391	3.2
311.09229	4.1
325.07001	8.5
327.08691	3.2
329.10236	3.7
331.09192	3.8
332.28873	2.1
333.11133	3.3
335.05167	2.6
339.08481	2.8
341.10269	3.4
343.08051	4.9
349.10782	6.7
351.12286	2.9
353.06476	4.6
357.09674	5.6
359.09048	3.1
369.13339	2.3
371.07367	11.3
371.11359	7.5
375.10699	6.9
377.10153	5.8
385.09033	15.5
389.08557	4.8
395.11185	4.8
403.10245	29.7
405.10037	3.9
409.12750	3.4
413.12173	3.6
417.11484	9.4
423.10657	25.4
427.13895	2.3
435.12906	6.1
437.12363	7.4
441.11771	84.8
455.13379	38.6
459.12949	21.5
469.14801	4.0
469.33197	2.8
473.14404	100.0
474.14731	4.0
487.16168	11.5
515.11359	2.8
537.65033	2.2
547.14844	2.8
562.52631	2.5
585.15784	7.0
603.16626	3.4
617.18323	3.9
846.25958	2.9
872.12347	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	848.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81549	0.4
60.08134	0.9
60.14842	0.3
65.03918	0.6
65.45755	0.3
67.05502	18.3
69.07062	3.7
69.10770	2.7
71.04967	0.5
71.07367	6.7
79.05052	0.4
79.05492	8.6
81.07049	17.0
83.08603	1.8
84.37338	0.3
85.06546	0.4
86.09701	34.9
91.05470	4.6
93.07037	9.7
95.04954	1.0
95.08598	14.9
95.09213	0.8
97.06500	0.5
97.10152	0.5
104.10738	14.2
105.04501	0.5
105.07010	2.8
107.08588	4.9
107.54204	0.4
109.06473	0.4
109.10149	5.0
111.08097	0.4
117.06987	0.6
119.08588	2.5
121.10146	4.1
123.11682	1.6
124.99956	0.7
131.08551	1.7
133.10129	1.6
135.11671	1.6
145.10121	1.3
146.98167	53.5
147.11708	0.8
149.13237	0.7
153.39543	0.4
159.11714	0.6
161.13272	0.6
173.13133	0.7
184.07364	0.9
186.92656	0.4
199.23445	0.5
257.81744	0.4
331.17493	0.8
333.99875	0.4
335.25787	13.8
349.18451	0.7
350.18921	0.5
357.24039	2.1
481.23245	36.0
482.23419	0.9
489.73917	0.4
540.30579	100.0
541.31042	2.3
697.58160	0.4
776.47864	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44800	0.4
61.02927	0.8
66.38446	0.3
67.05509	3.6
69.03430	5.9
69.07068	1.7
69.57225	0.5
71.05010	0.8
71.67863	0.4
73.02917	1.2
78.00827	0.3
79.05496	1.7
81.03421	2.3
81.07053	9.3
83.08612	3.3
85.02906	14.5
85.06564	0.4
87.04475	2.1
89.03925	1.6
91.03948	0.7
91.05480	1.0
93.07039	1.5
95.04973	1.1
95.08604	10.5
97.02892	6.1
97.10158	3.9
99.04459	0.7
99.08059	0.7
103.05467	0.6
105.07058	1.0
107.04954	2.0
107.08598	0.8
109.02884	1.7
109.06510	0.4
109.10160	13.3
115.03941	2.3
117.03368	3.0
119.08591	1.0
121.06516	0.5
121.10156	0.9
123.04436	1.2
123.11705	16.4
127.03909	3.3
127.11129	0.4
131.04919	1.2
131.08580	0.6
133.04959	1.5
135.04424	7.1
135.08148	0.5
135.11714	0.5
137.05989	1.4
137.09563	0.7
137.13248	5.2
139.03906	0.9
145.02861	8.0
145.04953	5.6
147.04422	1.2
151.03894	0.6
151.07565	0.4
159.11771	0.5
163.03900	100.0
164.04218	2.0
165.05521	0.7
165.09093	2.2
166.08565	0.7
167.07120	0.6
167.10762	0.4
175.03731	0.6
177.05527	0.5
177.16447	0.5
179.03429	0.5
179.07031	0.5
179.17941	11.8
181.04951	58.3
184.07422	0.8
191.07097	0.5
197.18996	13.1
205.04848	0.7
205.12250	0.8
206.05025	0.4
209.08051	0.4
219.13728	0.4
258.05365	0.5
286.04745	1.9
287.05432	1.2
301.07022	6.3
307.08286	0.5
325.09125	7.7
329.30600	0.5
343.10269	4.4
359.21866	0.8
377.23151	1.3
455.30972	0.5
457.13257	1.6
473.32681	0.7
487.14301	1.2
832.27533	0.7
850.27399	3.1
851.27930	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44800	0.4
61.02927	0.8
66.38446	0.3
67.05509	3.6
69.03430	5.9
69.07068	1.7
69.57225	0.5
71.05010	0.8
71.67863	0.4
73.02917	1.2
78.00827	0.3
79.05496	1.7
81.03421	2.3
81.07053	9.3
83.08612	3.3
85.02906	14.5
85.06564	0.4
87.04475	2.1
89.03925	1.6
91.03948	0.7
91.05480	1.0
93.07039	1.5
95.04973	1.1
95.08604	10.5
97.02892	6.1
97.10158	3.9
99.04459	0.7
99.08059	0.7
103.05467	0.6
105.07058	1.0
107.04954	2.0
107.08598	0.8
109.02884	1.7
109.06510	0.4
109.10160	13.3
115.03941	2.3
117.03368	3.0
119.08591	1.0
121.06516	0.5
121.10156	0.9
123.04436	1.2
123.11705	16.4
127.03909	3.3
127.11129	0.4
131.04919	1.2
131.08580	0.6
133.04959	1.5
135.04424	7.1
135.08148	0.5
135.11714	0.5
137.05989	1.4
137.09563	0.7
137.13248	5.2
139.03906	0.9
145.02861	8.0
145.04953	5.6
147.04422	1.2
151.03894	0.6
151.07565	0.4
159.11771	0.5
163.03900	100.0
164.04218	2.0
165.05521	0.7
165.09093	2.2
166.08565	0.7
167.07120	0.6
167.10762	0.4
175.03731	0.6
177.05527	0.5
177.16447	0.5
179.03429	0.5
179.07031	0.5
179.17941	11.8
181.04951	58.3
184.07422	0.8
191.07097	0.5
197.18996	13.1
205.04848	0.7
205.12250	0.8
206.05025	0.4
209.08051	0.4
219.13728	0.4
258.05365	0.5
286.04745	1.9
287.05432	1.2
301.07022	6.3
307.08286	0.5
325.09125	7.7
329.30600	0.5
343.10269	4.4
359.21866	0.8
377.23151	1.3
455.30972	0.5
457.13257	1.6
473.32681	0.7
487.14301	1.2
832.27533	0.7
850.27399	3.1
851.27930	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	0.1
65.03943	0.1
67.05156	0.2
67.05500	2.7
69.03416	0.4
69.07050	0.2
69.16018	0.6
71.04989	0.2
73.02903	0.1
79.05484	0.4
81.03371	0.1
81.07053	3.7
83.04969	0.3
83.08623	0.2
85.02911	0.9
85.06541	0.3
91.05482	0.6
91.06002	0.1
93.07043	0.5
95.04982	0.2
95.08011	0.2
95.08599	2.9
95.46088	0.1
97.02882	0.3
97.10136	0.2
101.05987	0.1
103.05448	0.1
105.07019	0.2
107.04928	0.2
107.08571	0.4
109.02869	0.1
109.06508	0.2
109.10151	5.2
113.09605	0.1
117.06996	0.1
119.08570	1.6
121.10107	0.3
122.07285	1.1
123.08048	0.1
123.11699	7.5
125.05987	0.1
127.03934	0.3
131.04932	0.1
135.11725	0.2
137.05965	0.4
137.09610	9.7
137.13191	0.2
138.09883	0.1
139.07579	0.5
145.02805	0.1
145.04904	0.2
147.07973	0.2
147.11737	0.1
149.09602	0.2
149.13243	0.8
151.03967	0.1
155.10663	0.9
157.08589	0.2
163.03877	0.8
163.14859	0.1
165.09105	100.0
166.09460	0.9
173.11742	0.4
175.11211	0.3
177.09097	0.2
179.17882	0.1
181.04970	0.5
183.10097	0.6
184.07443	0.1
189.12755	0.2
197.19029	0.2
201.11220	1.5
201.12941	0.1
203.14340	0.2
205.12267	1.0
209.19089	0.2
223.13304	0.1
255.19518	0.3
287.05560	0.2
293.24756	0.9
309.24570	0.1
313.74713	0.1
317.20950	0.3
321.24182	1.0
339.25278	12.6
340.25629	0.2
397.16016	0.1
427.31943	0.6
445.33130	4.5
446.33701	0.2
455.31436	0.5
473.32645	3.1
474.32635	0.1
491.33652	7.7
492.33566	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04495	0.3
65.03951	1.0
67.05501	11.8
69.03428	6.7
69.07066	3.0
71.04991	5.7
74.93281	0.4
77.03920	0.5
79.05492	8.0
81.03411	4.6
81.07053	66.2
82.07394	0.7
83.04968	0.3
83.08617	1.6
85.02906	6.4
85.06538	4.6
87.04479	1.6
89.06008	1.3
91.05458	1.8
93.07037	7.0
95.04970	4.9
95.08601	13.4
97.02887	7.9
97.10172	7.6
98.12897	0.3
98.22591	0.7
99.04456	2.0
99.08096	1.5
103.05453	4.8
105.07027	40.5
106.07369	0.5
107.04932	0.9
107.08591	3.6
108.04472	0.8
109.02872	6.8
109.06523	2.5
109.10159	2.5
111.04446	1.1
111.08086	2.5
111.11664	0.4
113.06000	0.6
113.17950	0.3
115.03939	1.7
115.05446	7.5
118.04152	2.5
119.04945	0.5
121.10133	1.5
123.04504	0.4
123.08108	1.5
123.11703	57.1
124.12047	0.6
127.03913	7.2
131.04897	2.0
131.08594	0.4
132.05710	0.4
133.06485	40.6
133.10123	2.9
134.06827	0.7
137.05934	0.9
137.09598	0.3
139.11186	0.5
141.12711	2.5
143.04982	0.6
143.06015	3.9
145.04956	1.0
147.04407	0.3
149.05989	0.5
149.09526	0.5
150.07649	0.3
151.03885	0.9
151.07623	0.6
151.11174	10.7
153.01866	0.3
161.05972	91.6
162.06331	1.5
163.03891	1.8
163.07567	0.4
165.05505	0.5
165.09099	3.2
167.07111	0.3
169.12231	27.9
173.05998	0.3
181.04935	0.5
186.95924	0.3
186.97728	0.3
187.11555	0.5
187.13287	15.5
193.08594	100.0
193.59872	0.3
194.08890	1.1
209.04436	0.5
211.09607	0.6
229.14359	2.5
235.82349	0.4
241.06984	0.6
242.82170	0.3
249.14812	1.0
253.14299	0.4
265.14276	0.5
277.14331	4.3
295.15399	16.5
301.16476	1.5
313.12823	0.3
313.16461	7.7
331.17493	40.4
332.17664	0.7
406.52478	0.3
409.18289	0.4
427.19571	1.2
438.04050	0.4
445.20660	2.3
457.20251	0.8
463.21609	1.4
475.21573	0.4
493.22647	0.5
596.31293	0.3
665.24976	0.4
714.96735	0.3
856.66949	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.495
Annotation	Unknow
Peak:m/z	Relative Intensity
66.87069	0.2
67.05511	1.8
69.03426	0.5
69.07079	1.1
70.57901	0.3
71.04986	0.3
79.05489	0.6
81.03410	0.4
81.07049	1.9
83.04966	0.3
83.08606	0.6
85.02882	1.4
87.04478	0.2
89.03900	0.2
91.05475	0.9
93.07035	0.9
95.04942	0.5
95.08610	1.7
97.02892	0.6
97.06546	0.3
97.10181	0.5
99.04414	0.2
105.07004	0.6
107.04967	1.0
107.08604	1.1
109.02876	0.4
109.06472	0.2
109.10159	2.9
111.08086	0.2
111.11689	0.3
117.03373	0.2
119.08562	1.9
121.06512	0.5
121.10158	0.9
122.07285	0.7
123.11716	0.5
125.09639	0.4
127.03946	0.5
131.04938	0.3
133.10139	0.5
135.04408	0.5
135.11694	0.6
137.05959	0.4
137.09608	7.5
139.10989	0.3
143.10672	0.4
145.02821	0.6
145.04996	0.4
145.06464	0.2
145.10120	0.2
147.04425	0.2
147.08148	0.2
147.11671	0.6
149.09615	0.3
149.13251	0.4
153.09047	0.4
161.05945	0.5
163.02641	0.4
163.03908	6.3
164.04260	1.8
165.09108	100.0
166.09430	1.1
167.07045	0.7
175.14729	0.3
177.05353	0.3
177.16351	0.4
179.07027	0.2
181.04932	0.7
185.15411	0.3
189.16345	0.3
191.07045	0.3
199.16966	0.5
208.53677	0.2
209.08163	0.4
213.18472	0.6
259.19019	0.3
259.24164	0.5
273.61258	0.2
277.25302	0.4
287.05511	0.6
295.26294	1.7
305.24615	0.3
308.73306	0.2
315.08240	0.3
325.09216	0.5
327.09631	0.3
341.27008	1.1
417.20773	0.3
447.34686	0.4
457.33035	0.6
475.34091	1.7
493.28348	0.3
493.35202	8.2
810.68463	0.2
852.41827	0.5
853.39581	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	0.1
67.05502	1.8
69.03425	0.3
69.07069	0.6
71.04976	0.1
73.24818	0.1
79.05482	0.4
81.03408	0.2
81.06624	0.2
81.07056	2.4
83.04961	0.2
83.08604	0.4
85.02909	0.9
91.05467	0.5
93.07059	0.7
95.04987	0.3
95.08602	2.5
97.02885	0.2
97.06492	0.2
97.10162	0.2
101.06011	0.2
103.05467	0.2
105.07028	0.3
107.04948	0.4
107.08585	0.6
109.02868	0.4
109.09412	0.2
109.10149	3.4
111.04379	0.2
111.08096	0.1
111.11748	0.1
113.09599	0.3
115.05440	0.2
115.07576	0.1
119.08585	1.2
121.06501	0.2
121.10149	0.5
122.07308	0.7
123.11722	0.8
125.02326	0.1
127.03896	0.3
127.11141	0.3
129.05470	0.1
131.04987	0.1
133.10197	0.1
135.04424	0.2
135.08089	0.2
135.11673	0.5
137.06001	0.8
137.09613	6.5
137.13249	0.4
139.03912	0.6
145.04926	0.3
145.06493	0.2
147.07962	0.2
147.11768	0.2
149.06033	0.2
149.09607	0.4
149.13249	0.3
149.45459	0.1
151.03906	0.4
151.14799	1.0
153.01796	0.4
153.09096	0.4
153.25583	0.1
157.08563	0.3
161.13235	0.2
163.03908	0.3
163.07587	0.2
163.14839	0.3
165.09106	100.0
166.09428	1.3
167.07027	0.3
167.14372	0.3
173.11784	0.1
175.03703	0.2
175.11191	0.1
175.14757	0.1
175.62822	0.1
177.05458	0.7
177.09070	0.5
177.16313	0.1
179.03398	0.3
179.10667	1.3
181.15854	0.1
187.11148	0.1
189.12637	0.1
190.09888	0.1
191.03366	0.3
201.05423	0.3
203.03401	0.1
203.10564	0.2
205.04733	0.6
205.10292	0.2
205.12234	2.8
209.08064	0.2
213.14848	0.3
215.06911	0.1
221.15303	0.2
227.09180	0.2
231.06566	0.2
241.04976	0.2
251.23756	0.2
255.06393	0.1
259.24197	0.3
271.06079	0.1
277.25217	1.2
283.06003	0.3
287.05438	0.4
288.05865	0.2
297.23917	0.1
305.24854	0.3
309.24234	0.2
311.05414	0.5
323.25806	4.7
323.29639	0.2
329.06540	0.3
329.10260	0.2
343.08029	0.1
361.09113	0.2
393.26395	0.2
411.32425	0.3
429.33716	1.2
439.31485	0.2
457.33163	0.9
461.12112	0.3
475.34167	13.9
476.34576	0.5
479.13214	0.5
493.14801	0.3
497.14291	0.2
511.15671	0.4
576.74384	0.1
806.22015	0.1
852.30792	1.1
853.31488	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08149	0.9
64.50745	0.3
65.03938	0.5
67.05173	0.6
67.05511	11.2
67.52869	0.3
69.07073	7.2
69.62334	0.6
69.62721	0.5
70.06582	1.1
71.07380	4.2
71.08630	0.4
72.08119	0.3
79.05493	2.8
81.07062	12.2
83.04977	0.6
83.08625	3.9
85.06573	0.5
85.10137	0.3
86.09708	25.8
88.07623	1.4
91.05482	2.4
93.07050	3.4
95.04976	0.4
95.08025	0.4
95.08614	8.2
97.06526	0.5
97.10177	1.6
98.22751	0.6
102.09179	1.0
104.10749	12.0
105.07016	1.6
105.11048	0.4
107.08588	1.7
109.06525	0.6
109.10154	3.8
111.08111	0.5
111.11739	0.3
112.35744	0.3
119.08552	1.1
121.10152	1.8
123.11693	2.0
125.00047	0.6
133.10133	1.2
135.11687	0.9
137.13268	0.6
146.98183	40.7
147.11707	0.8
149.02351	3.7
149.03432	0.4
149.13216	0.4
150.02689	1.2
159.25177	0.3
161.13271	0.8
163.14877	0.4
164.99289	0.7
184.07376	1.0
188.00807	0.5
189.16336	0.3
193.04950	1.3
194.05368	0.8
237.07771	0.4
240.10007	0.5
247.40691	0.3
256.26413	2.0
257.26764	1.4
263.23654	0.7
325.80917	0.3
337.27371	12.1
359.25638	1.2
436.48517	0.3
483.24838	29.6
484.25247	1.4
542.32184	100.0
543.32690	3.6
578.14008	0.4
623.17212	0.4
649.45197	0.3
850.04785	0.4
852.39758	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	854.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	1.4
67.05497	1.6
69.03430	8.6
69.07053	0.7
69.67941	1.6
70.09673	0.4
71.01328	0.4
71.04981	0.9
75.04494	0.5
77.03941	0.8
79.05489	9.0
81.03417	5.2
81.07053	8.5
83.04980	1.6
85.02906	7.1
87.04461	1.5
91.05474	13.7
93.07042	25.0
94.04192	1.1
94.04948	0.4
95.04956	3.2
95.08611	4.7
96.19136	0.4
97.02894	7.2
97.06525	1.1
98.23413	0.5
99.04440	1.9
103.05446	1.1
103.20113	0.4
105.04516	0.8
105.07027	8.8
107.04931	2.2
107.08590	8.4
107.09251	0.2
109.02903	2.4
109.06506	1.6
109.10155	0.8
111.04447	1.1
111.08048	0.8
115.03931	2.5
115.05471	0.6
117.07020	0.9
119.04940	17.3
119.08570	6.5
121.06548	2.3
121.10139	100.0
122.03629	2.6
122.10483	1.1
123.08035	2.3
123.11708	7.0
125.06001	2.3
127.03931	3.2
129.07008	0.6
131.04904	1.1
131.08554	2.5
133.04945	1.7
133.06477	0.8
133.07602	1.3
133.10127	1.7
135.04387	0.9
135.08069	0.4
136.90587	0.4
137.05969	64.6
138.06319	0.5
139.11179	3.7
143.08563	0.8
145.04956	1.9
145.06490	0.4
145.10139	2.4
147.04401	36.4
147.08026	3.5
147.11678	0.8
149.05930	0.6
149.09604	24.6
151.03831	0.5
151.07507	2.0
157.10124	0.9
159.08098	0.5
159.11673	0.7
161.05995	0.6
161.09589	0.7
163.03867	2.0
163.07521	1.6
163.11156	0.8
165.05473	0.8
165.09099	1.0
167.07016	0.7
167.10674	28.2
169.10056	0.5
171.08157	0.4
171.11682	0.5
173.09576	1.2
175.07471	1.1
175.11115	0.6
177.05441	0.6
177.09109	0.7
179.07025	25.0
181.08568	0.5
185.09457	0.4
187.07347	0.4
187.11299	0.7
189.09024	0.9
191.07002	2.1
191.10600	1.2
197.08066	5.4
201.09094	0.9
201.12778	0.4
203.10764	0.5
213.08989	0.5
215.10678	0.8
217.12099	0.7
229.12231	0.7
233.11714	0.5
239.77692	0.4
245.08325	0.6
245.11685	1.0
247.13252	1.1
253.14326	0.7
263.12753	0.8
265.14319	0.9
275.12698	1.9
281.13599	2.2
283.15396	3.8
293.13818	5.1
299.14709	1.0
311.14868	27.0
312.15274	0.5
315.15698	0.9
325.08975	0.4
327.15805	1.1
329.15927	10.2
345.16766	2.2
353.15793	0.5
407.16937	0.8
419.17053	0.6
425.17920	1.0
441.18854	0.5
443.19318	2.0
455.18835	0.6
459.19998	0.8
473.19833	1.5
507.22131	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	0.2
66.16005	0.2
66.16404	0.1
67.05512	0.8
69.03420	1.6
69.07071	0.2
69.59534	0.5
71.04992	1.6
73.02921	0.2
75.04501	0.2
77.03942	0.2
79.05489	3.4
81.03416	0.6
81.07044	2.0
83.04971	0.4
85.02903	2.0
87.04474	0.5
91.05470	1.5
93.07046	4.9
95.04970	4.7
95.08607	2.1
97.02890	3.3
97.06516	0.3
99.04460	1.4
103.05452	0.2
105.07027	3.3
107.04942	1.0
107.08592	1.7
109.02869	1.2
109.06509	3.0
111.04427	0.9
111.08077	11.2
115.03930	0.6
115.05399	0.2
117.06995	0.2
119.06059	0.2
119.08551	0.3
121.06500	0.7
121.10146	4.1
123.04441	1.5
123.08069	2.0
123.11694	0.3
125.06026	0.3
127.03911	51.1
128.04248	0.3
131.08549	0.6
133.04976	0.4
133.06496	2.7
135.04439	0.3
135.08080	0.3
137.06012	0.7
139.11189	0.2
141.05428	0.2
145.04918	0.2
149.05957	0.4
149.09605	3.8
151.03915	3.2
151.07541	4.1
153.05478	1.1
153.09152	0.2
153.41223	0.1
155.07047	0.6
161.05974	1.6
163.03896	0.5
167.07063	0.2
167.10693	1.1
169.04930	0.5
169.08604	0.8
177.05457	0.3
179.07024	15.2
180.07439	0.2
181.04967	0.2
193.08647	0.8
197.08081	100.0
198.08405	1.0
210.47021	0.2
240.27045	0.1
281.13791	0.2
293.13782	0.3
311.14810	0.3
341.12234	1.0
345.16904	1.2
359.13370	3.3
363.17993	5.1
364.18344	0.2
477.20886	0.2
489.20749	0.2
507.22015	0.4
525.48138	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	854.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02623	0.8
61.02925	8.3
65.03940	1.4
67.05502	20.5
68.44906	0.4
69.03427	5.3
69.07069	7.2
69.26643	2.0
71.01340	0.5
71.04986	4.9
73.02920	3.1
77.03923	0.9
79.05490	23.6
81.03416	73.8
81.07056	25.2
83.04470	0.5
83.04976	16.1
83.08618	25.4
85.02904	34.6
85.06549	2.0
91.03954	5.5
91.05476	31.2
92.05765	0.4
92.21346	0.4
93.07041	17.2
95.04966	29.1
95.08598	10.3
97.02885	8.4
97.06523	3.6
97.10153	4.2
98.22594	0.8
99.04479	1.1
99.08099	1.1
101.06056	0.5
101.96957	0.4
103.05481	1.1
105.04530	1.2
105.07030	22.8
107.04967	8.9
107.08592	7.3
109.02872	0.9
109.06512	5.5
109.10169	3.1
111.04445	3.5
111.08073	11.8
113.06017	3.2
115.03933	0.5
115.05460	2.1
117.06998	2.2
119.04951	1.0
119.08577	19.7
121.06483	2.6
121.10145	10.3
123.08060	3.5
123.11697	1.9
125.06020	0.6
125.09617	2.3
127.03921	1.8
128.06239	0.6
129.06996	12.6
131.08566	13.2
133.06476	3.6
133.10110	11.2
135.04463	0.5
135.08054	1.0
135.11664	0.9
137.05988	2.0
137.09624	2.1
142.07825	3.5
145.04919	2.3
145.06519	0.6
145.10121	2.2
147.08070	3.7
147.11678	17.2
149.09599	7.7
151.07626	0.7
151.11172	0.6
153.01826	0.7
155.08565	0.5
157.10120	16.5
158.10457	0.7
160.24937	0.6
161.09651	0.5
163.03920	1.3
163.05940	2.2
163.11183	1.1
165.05515	1.0
165.09149	1.2
165.12766	3.7
167.07048	0.7
175.11182	18.8
177.05502	0.9
181.06458	0.5
193.10776	0.6
193.12231	52.6
211.13283	80.5
212.13632	1.1
227.12744	0.7
229.14296	0.8
249.14844	1.2
267.15903	43.8
268.16138	0.6
273.14969	0.7
285.16956	84.6
286.17383	1.1
287.05624	2.2
288.05887	1.8
344.46292	0.5
349.21539	0.8
367.22650	2.8
385.23679	4.4
403.24667	1.3
429.21237	0.8
433.25821	2.5
441.26306	2.0
459.27411	36.5
460.27768	0.9
477.28470	38.2
478.28574	0.9
495.29498	100.0
496.29922	2.1
621.32379	1.0
639.33807	2.5
646.06122	0.6
854.38922	1.7
855.43152	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	0.2
67.05499	1.7
69.03426	1.5
69.07065	0.4
71.04992	2.1
73.02922	0.8
77.03916	0.1
79.05493	2.1
81.03412	0.5
81.07053	6.8
83.04988	0.5
83.08617	0.3
85.02898	2.5
85.06558	0.7
91.05477	0.9
93.07051	1.4
95.04965	4.6
95.08602	3.3
97.02890	3.7
97.06513	0.1
97.10173	0.5
98.22723	0.4
99.04460	1.3
99.99135	0.1
103.05461	0.1
105.04558	0.2
105.07026	2.5
105.49708	0.2
107.04961	0.9
107.08578	0.8
109.02878	1.4
109.06517	3.0
111.04441	0.9
111.08076	11.5
115.03931	0.4
121.06500	0.4
123.04445	1.2
123.08066	1.8
123.10793	0.2
123.11700	3.9
125.05973	0.4
127.03908	52.1
128.04257	0.3
133.04976	0.3
133.06487	2.9
133.10086	0.2
135.04414	0.3
135.08073	0.2
137.05991	0.7
138.41058	0.1
145.04927	0.3
149.05931	0.2
151.03902	4.2
151.07533	4.2
151.11122	0.8
153.05447	1.2
155.07066	0.5
161.05957	1.9
163.03891	0.4
163.06006	0.1
167.07018	0.3
169.04973	0.6
169.08533	0.7
169.12224	1.9
177.05357	0.2
179.07021	19.2
187.13274	1.4
197.08076	100.0
198.08374	1.2
241.07126	0.2
259.07849	0.1
277.14526	0.2
295.15356	0.4
301.16504	0.4
311.11328	0.3
313.16190	0.3
319.15341	0.3
319.18866	0.5
329.17422	0.2
331.17624	0.7
341.12314	1.1
347.14172	0.3
347.18500	4.4
359.08838	0.3
359.13290	3.8
365.19577	4.5
383.20547	2.5
439.20258	0.2
446.92416	0.1
479.22891	0.2
491.23151	0.2
497.23746	0.4
509.23489	0.4
527.24609	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.7
66.04712	0.7
67.05502	15.1
69.03425	8.0
69.07061	4.3
71.04984	7.7
71.08648	0.4
71.45197	0.5
73.02909	0.6
79.05482	4.4
81.03416	7.3
81.07053	84.8
82.07424	0.4
83.04955	0.7
83.08624	1.9
85.02900	8.0
85.06539	5.4
86.29569	0.5
87.04462	2.2
89.06025	2.3
91.05473	10.9
93.07039	9.1
94.04182	1.9
95.04958	4.6
95.08599	15.9
97.02888	8.4
97.10166	9.4
97.14026	0.4
99.04462	2.2
99.08101	1.9
103.05511	0.7
105.07049	3.3
107.04962	1.1
107.08592	4.3
109.02873	9.2
109.06512	3.5
109.10126	3.0
111.04443	0.7
111.08076	2.7
113.06003	0.8
115.03929	2.9
119.04939	28.5
121.06519	1.0
121.10112	2.3
122.03652	3.5
123.04463	0.6
123.11700	76.6
124.12089	0.8
127.03903	13.0
131.04913	1.2
133.04980	1.5
133.10115	4.6
135.04362	0.8
137.05969	92.8
138.06303	0.5
139.11151	1.4
141.12746	2.7
145.04962	1.5
147.04401	51.4
148.87674	0.4
149.09573	0.6
151.07567	2.0
151.11172	14.4
159.76582	0.5
163.07556	1.8
165.05476	0.5
167.07036	0.9
167.10794	0.6
169.12227	47.6
175.07544	1.3
177.05513	1.2
179.07022	39.7
180.07339	0.7
181.08582	0.8
187.13281	27.6
191.07051	1.4
193.08521	0.6
197.08073	11.0
203.07059	1.6
209.08159	0.5
215.06938	1.1
219.13744	0.6
221.08215	0.6
229.14310	7.0
231.13702	0.6
233.08192	0.6
239.09149	0.8
249.14838	1.3
253.14268	0.8
257.08127	1.1
265.14319	0.7
271.08072	0.5
271.15463	1.3
277.14343	9.0
293.10330	0.7
295.15372	33.5
296.15781	0.5
301.16446	1.5
313.12793	0.8
313.16422	16.8
331.17484	100.0
332.17944	1.5
427.19543	1.5
439.19254	0.5
445.20667	1.6
457.20456	1.2
463.21854	1.8
475.21799	1.0
479.22711	0.7
493.22488	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	0.2
67.05508	1.4
69.03433	1.2
69.07056	0.3
70.95712	0.2
71.04993	2.0
74.84830	0.1
79.05484	2.3
81.03414	0.6
81.07055	6.5
83.04977	0.4
83.08626	0.2
84.71466	0.1
85.02903	1.9
85.06528	0.4
87.04472	0.3
88.68957	0.1
91.05467	0.9
93.07051	1.4
95.04971	4.5
95.08601	3.3
97.02888	3.5
97.03487	0.3
97.06531	0.2
97.10177	0.3
99.04449	1.5
99.98486	0.1
100.27954	0.1
105.07023	2.3
107.04968	1.0
107.08582	0.7
109.02869	1.1
109.06518	2.7
109.10130	0.2
111.04448	0.8
111.08081	11.1
115.03912	0.3
117.06961	0.2
121.06516	0.3
121.10075	0.2
123.04424	1.3
123.07246	0.2
123.08073	2.3
123.11699	3.3
125.05969	0.4
127.03912	52.7
128.04233	0.5
133.02777	0.2
133.04968	0.3
133.06483	2.5
133.10150	0.1
135.04420	0.2
135.08080	0.3
137.05988	1.0
149.05986	0.3
151.03908	4.4
151.07538	4.2
151.11137	0.8
153.05470	1.3
153.09145	0.2
155.07028	0.4
161.05951	1.8
169.04974	0.6
169.08615	0.9
169.12245	1.5
179.07027	19.1
180.07368	0.2
187.13313	1.0
189.59395	0.1
197.08084	100.0
198.08391	1.1
232.44159	0.1
250.64838	0.1
295.15347	0.5
311.29440	0.2
313.16589	0.2
319.18927	0.5
329.17542	0.3
331.17499	0.8
341.12286	1.0
346.40903	0.2
347.18542	4.7
359.13373	3.5
365.19589	4.6
383.20657	2.1
404.23120	0.1
439.19699	0.2
491.22876	0.2
497.23782	0.2
498.77408	0.1
509.23691	0.4
527.24567	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	54.8
65.03931	2.1
67.05505	56.5
67.05866	2.7
69.03419	8.0
69.07060	9.2
70.14348	3.8
71.04998	3.3
73.02916	23.4
79.05486	29.3
81.03416	3.6
81.07054	68.7
83.08613	5.0
85.02902	70.8
85.06533	3.8
91.03381	3.6
91.03954	66.4
91.05475	16.5
93.07044	42.0
95.04977	4.2
95.08602	53.6
96.21901	1.7
97.02891	39.6
97.06533	4.0
97.10172	4.5
98.22775	2.3
99.04437	5.4
99.08112	2.9
103.03902	2.4
105.07030	14.5
107.07917	2.8
107.08594	28.0
109.02878	3.8
109.10162	29.2
111.08054	2.4
113.09678	2.3
115.03938	4.5
117.07025	7.6
119.08569	11.4
121.10143	30.8
123.11698	17.0
127.03905	25.6
131.08582	15.5
133.10115	12.5
135.11700	25.0
137.13249	6.2
145.04958	38.8
145.10114	13.5
147.11679	10.4
149.13263	18.9
151.11206	2.3
151.14799	3.3
159.11678	12.9
161.13269	8.5
163.06013	84.4
163.14763	13.8
165.12737	2.0
173.13287	11.1
175.14864	3.0
177.16360	5.5
179.14253	3.1
187.14697	8.4
201.16360	3.6
233.22586	3.0
243.21091	34.5
261.22128	100.0
279.23187	6.3
325.11362	7.3
335.25803	35.7
336.77444	1.6
346.08136	1.8
353.26837	93.6
497.31104	8.0
564.24561	1.8
659.35760	2.2
802.53741	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	858.313
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02937	2.7
65.03944	1.0
67.05506	3.5
69.03426	11.0
69.07059	0.7
69.37456	3.0
70.02936	0.6
70.06552	0.6
71.01352	1.0
71.04999	1.0
72.04538	0.7
73.02927	1.4
77.03957	0.9
79.05485	6.9
80.05020	3.3
81.03423	4.4
81.07053	3.4
82.06563	3.5
83.04993	0.8
85.02902	16.8
85.29237	0.6
87.04482	2.7
91.03994	1.2
91.05495	3.4
93.07063	1.6
94.06574	1.2
95.04962	11.8
95.05510	0.9
96.04492	3.1
96.08174	0.9
97.02902	8.7
98.23479	1.1
99.04486	1.6
103.03977	1.4
103.05476	1.2
105.03404	1.4
105.04548	1.8
105.07049	2.6
106.06554	24.4
107.04952	5.7
108.04493	1.0
108.08144	3.8
109.02857	5.6
109.06563	2.3
110.06072	0.6
111.04454	2.0
115.05470	1.3
117.05768	0.8
118.06543	15.9
119.04997	2.2
120.08106	0.9
121.06520	2.4
122.02494	0.6
122.03645	1.1
122.06058	2.2
123.04410	6.6
124.03949	16.0
124.07581	3.3
126.05552	3.3
127.03912	4.5
127.04833	0.7
130.06560	2.0
131.04956	1.0
132.08153	2.1
133.02814	0.9
133.06509	3.2
134.06015	3.0
135.04419	5.0
136.07629	1.8
137.05991	6.3
138.05542	1.6
138.09167	3.0
139.03894	26.8
140.07056	5.8
141.05513	2.6
143.04959	2.0
143.74826	0.7
144.04468	1.3
144.08031	0.7
145.02893	2.5
145.05042	1.8
146.06064	0.7
147.04463	2.5
148.07564	9.5
149.06020	2.1
150.05609	1.3
151.03905	7.2
153.12776	1.0
158.06004	0.7
159.04459	2.4
160.07582	7.4
161.05952	3.3
161.07152	0.7
162.05489	2.9
162.09282	0.7
163.03902	8.7
165.05475	51.2
166.08641	1.1
167.03468	0.8
167.07059	1.3
170.06033	1.2
171.04378	4.3
173.06026	0.8
176.07065	24.1
177.05452	9.1
178.08644	1.1
179.07025	1.5
180.10240	0.7
181.05002	1.8
183.06483	0.9
186.05551	0.8
188.07051	12.1
189.05453	10.9
189.07091	0.7
190.08658	0.7
191.06987	0.9
192.10210	0.8
194.08090	4.9
195.06622	1.1
197.08228	1.4
199.04007	2.0
202.08759	0.8
203.07013	9.3
203.08533	0.7
206.08115	4.9
208.09660	13.6
209.08086	3.9
214.04964	0.7
214.08730	1.0
216.06606	0.9
220.09677	7.5
221.08101	0.7
226.10672	4.9
230.04465	0.8
231.06578	1.1
238.10732	24.5
242.04521	1.9
246.07661	1.5
248.09328	1.3
257.08994	0.7
259.07162	0.8
263.10342	1.2
265.12143	0.7
272.05658	1.0
274.07236	2.0
277.11530	0.7
283.12982	1.2
297.17065	1.1
307.12949	0.9
309.14627	1.8
315.18048	1.0
316.15424	0.8
326.10342	0.8
333.19016	1.2
340.08328	0.7
372.10651	0.7
387.15753	1.1
388.16083	2.3
400.15997	49.7
401.16516	0.8
402.82846	0.7
426.17523	1.1
441.16986	0.8
455.16727	0.8
469.18369	1.3
471.19901	3.9
473.19318	1.3
497.11319	0.7
497.17963	2.6
523.23206	1.2
549.20837	1.5
551.18890	1.2
577.19379	1.8
583.21405	2.1
608.23846	1.4
609.19037	1.0
621.23016	0.9
635.24408	3.2
647.21246	2.2
653.25391	15.5
654.26782	0.8
664.23431	1.4
679.23523	16.8
696.26617	1.4
815.30713	100.0
816.31323	3.6
841.28668	32.7
842.28333	1.0
858.31097	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	858.339
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	2.3
67.05510	2.4
69.03432	9.2
69.07069	1.8
70.41840	0.9
71.04974	2.8
73.52732	0.8
79.05488	6.7
81.03420	27.6
81.07053	2.6
83.01360	1.4
83.04980	8.7
85.02904	4.0
91.05478	9.3
93.03415	3.3
93.07041	3.8
95.04970	53.7
95.08604	2.3
97.02892	9.7
97.06532	1.9
99.04443	3.1
103.05450	2.7
105.03384	2.8
105.04523	2.7
105.07043	7.9
107.04957	44.1
107.08617	2.1
109.02879	84.0
109.06501	2.3
109.10120	1.4
110.03661	3.7
111.04440	20.3
115.05480	1.6
116.18131	1.0
117.07014	10.7
119.04945	2.3
119.08594	4.3
121.02870	26.7
121.06495	9.1
123.04424	18.3
123.08111	1.4
125.02341	6.6
127.03019	1.9
127.03913	25.3
127.92845	1.1
128.06194	1.9
129.06990	14.0
131.04938	4.8
132.05721	1.1
133.02855	19.5
133.06517	2.7
135.04408	4.5
135.08044	4.4
137.05957	4.6
139.03928	6.2
145.02786	1.0
145.04985	4.9
145.06470	16.7
147.04414	4.7
147.08061	5.3
149.02344	9.1
149.05960	7.3
151.03909	46.3
151.07491	1.6
153.01822	2.8
153.05428	5.7
153.43083	1.0
155.04848	1.7
155.06015	1.6
157.06462	1.8
159.04411	2.5
161.05992	2.7
163.03886	7.4
163.07544	8.5
165.05551	1.2
165.09131	1.9
167.03397	9.8
167.07024	3.6
173.05971	10.5
175.03897	4.7
175.07530	7.5
177.05478	18.1
181.04915	1.8
185.04451	9.1
189.05460	1.6
191.07014	15.7
193.04950	1.8
193.08559	4.2
195.06480	2.1
201.05435	5.8
209.08124	2.4
215.07173	1.1
217.04837	1.1
219.06523	26.4
225.09119	1.0
235.05933	1.7
237.07584	17.1
241.39061	1.0
253.06926	1.8
255.08612	15.1
293.06540	12.6
297.09564	1.9
300.08554	1.0
311.07718	6.0
327.10663	3.0
340.19385	1.2
345.09732	6.7
355.11569	1.1
357.11908	1.9
363.10739	100.0
364.11072	2.7
381.11789	58.3
383.64502	1.1
399.12756	8.7
473.14404	2.8
491.15460	3.6
498.71121	1.0
507.14807	2.9
525.16046	27.9
525.23761	2.0
526.89612	1.2
543.17072	13.1
561.18060	2.0
635.19226	4.5
857.45612	2.1
858.46515	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	862.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02898	1.1
67.05499	6.0
68.67403	0.8
69.03425	25.8
69.07060	6.0
70.09438	1.6
71.04987	12.1
72.68243	0.8
73.02906	2.3
73.06546	0.8
79.05488	9.9
79.55461	0.7
80.04928	0.6
81.03408	3.6
81.07054	49.0
83.04957	1.3
83.08614	3.6
85.02402	1.6
85.02903	26.5
85.06509	1.3
87.04467	19.3
87.04996	1.0
91.05476	5.4
93.07043	22.7
95.04947	3.4
95.08609	18.1
97.02890	29.2
97.06518	1.9
97.10157	2.1
99.04430	3.1
99.08091	3.5
103.03918	0.9
103.05473	0.9
105.04516	0.8
105.06339	1.5
105.07027	23.9
105.11641	0.7
107.04953	1.8
107.08589	30.6
109.02871	2.6
109.06529	1.7
109.10154	21.8
111.04453	1.0
111.08104	1.5
111.11723	1.1
115.03927	30.5
117.05519	0.9
117.06981	2.1
119.08575	42.4
121.10134	8.9
123.04381	1.7
123.08041	1.0
123.11705	13.0
125.09646	5.2
127.03895	7.2
127.11186	19.5
129.07028	0.7
131.04987	0.9
131.08578	2.1
133.04964	26.9
133.09175	1.5
133.10124	23.9
135.04405	1.3
135.11688	58.5
137.05991	2.5
137.13271	4.1
139.03874	1.4
139.11140	1.2
143.10667	43.6
145.04933	7.5
145.10123	3.3
147.08041	1.3
147.11678	15.9
147.95108	0.9
149.13242	5.3
151.11169	1.5
153.12756	3.8
157.04947	1.4
157.10065	1.5
159.11731	5.5
161.04472	1.0
161.05922	1.2
161.13255	8.9
163.03922	5.5
163.06006	2.8
163.07346	0.8
163.14784	3.2
165.05579	1.5
167.06984	1.4
167.08348	1.0
169.04938	1.1
171.11694	1.3
173.09598	0.8
175.14838	1.8
177.05431	0.9
177.16393	1.3
181.04903	1.5
185.13277	0.9
187.09628	1.3
189.16379	0.9
193.15800	1.5
201.16373	1.7
203.17940	44.8
205.19467	3.2
207.17615	0.9
213.16516	0.9
215.17975	1.2
221.18996	100.0
222.19182	1.5
223.20526	2.5
229.07066	4.6
233.19046	1.9
239.20023	9.7
241.07094	1.4
245.19008	2.9
247.08186	2.1
259.08142	5.4
263.20178	2.7
265.09161	11.1
277.09210	2.5
281.18912	1.7
287.05582	1.0
287.20062	1.4
288.23920	0.9
295.10251	13.8
299.20029	1.7
305.15955	1.2
305.20996	2.3
311.20163	0.8
313.11066	0.8
317.21036	3.6
323.09290	0.9
325.11188	3.0
327.12247	0.8
335.22137	3.8
341.10239	2.0
347.22128	1.2
353.23209	8.7
365.23328	1.9
371.11136	0.9
371.24356	1.5
383.24335	4.9
396.35715	1.0
401.25177	1.2
697.62048	1.0
742.74146	0.8
857.98608	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	1.6
65.03928	1.3
67.05502	6.2
69.03428	26.4
69.07069	6.4
71.04632	1.0
71.04989	11.8
73.02914	1.3
79.05492	8.9
81.03428	3.2
81.07053	43.4
83.01334	0.6
83.04966	1.3
83.08628	2.9
85.02905	24.8
87.03959	1.1
87.04464	14.1
91.03958	0.9
91.05479	6.6
93.06441	0.9
93.07038	18.9
95.04977	3.6
95.08601	15.6
97.02889	24.9
97.06525	2.1
97.10162	1.5
97.90448	0.5
99.04456	2.1
99.08092	3.1
103.03943	1.4
105.07029	21.7
106.16335	0.6
107.04973	1.0
107.08590	25.5
109.02847	1.7
109.06510	0.9
109.10152	21.9
111.04432	1.8
111.08083	0.9
111.11694	1.2
113.09624	1.1
115.03927	28.8
117.07015	1.2
119.04976	0.9
119.08575	38.6
121.06485	0.6
121.10126	7.1
123.04370	1.2
123.08046	1.3
123.10885	1.1
123.11701	11.5
125.09621	6.5
127.03910	5.2
127.11198	20.0
128.88838	0.5
129.06987	0.9
131.04906	0.9
131.08534	2.4
133.04962	24.5
133.10118	19.5
135.04405	0.9
135.11690	49.8
137.05951	2.3
137.09560	0.7
137.13245	2.2
139.03906	1.4
139.11179	1.2
143.10667	40.4
145.04956	7.1
145.10095	2.5
147.04358	1.1
147.11671	12.3
149.09622	0.6
149.13255	5.7
151.03856	1.2
151.11172	1.7
153.12773	3.0
157.04951	1.4
157.10109	2.2
157.12218	1.1
159.08075	0.6
159.11646	4.0
161.04440	0.9
161.13252	9.8
162.06770	0.8
163.03961	3.2
163.06058	2.8
163.07318	0.9
163.14827	2.3
165.05473	0.8
167.07037	0.7
173.13217	1.1
175.06070	0.6
175.14796	2.1
177.05516	0.9
177.12714	0.7
177.16418	1.5
181.04909	0.8
181.10172	0.7
183.11626	0.8
185.13315	1.0
189.16403	1.2
192.07813	0.8
193.15846	0.9
195.11707	0.8
201.12746	1.0
201.16331	0.9
203.17946	39.5
204.18277	0.6
205.19467	3.0
213.12766	0.8
215.17834	0.8
217.07005	0.7
219.17424	0.7
221.18991	100.0
222.19298	1.6
223.20560	3.3
227.17952	0.8
229.07051	3.0
233.18950	0.9
239.20061	9.7
241.06996	0.9
245.18948	2.1
247.08134	2.0
251.17798	0.6
259.08173	4.6
263.20074	2.6
265.09152	12.8
277.09140	1.8
281.19019	1.2
287.20132	1.1
295.10254	14.7
299.19977	2.0
305.15909	1.0
305.21091	1.2
317.21066	2.1
325.11343	4.2
329.21036	0.9
335.22147	2.8
341.10175	1.0
347.22308	1.3
353.23190	7.9
365.23050	2.2
371.11133	1.4
371.24081	0.9
383.24252	4.7
401.25201	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	863.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02923	0.6
89.63995	0.6
90.53761	0.7
95.04945	0.6
95.08630	1.4
97.02869	0.6
105.07053	0.6
106.36519	0.5
107.04994	0.8
107.08659	0.7
108.31467	0.6
114.95458	0.7
119.21121	0.7
121.10153	0.7
122.28476	0.7
126.98370	0.6
131.04961	0.7
137.06020	2.9
137.09695	1.0
145.06627	0.6
147.04463	1.1
151.03966	1.3
163.03891	3.2
164.04320	0.7
165.05458	0.7
167.07047	1.1
175.03654	16.5
177.05426	1.0
184.07431	0.9
203.03310	0.9
204.03951	1.0
205.02798	1.1
205.04713	21.2
246.07275	0.6
253.86737	0.6
271.06143	0.8
287.05542	1.3
439.13821	1.7
440.14365	1.1
453.15436	2.0
637.22931	1.2
863.30780	100.0
864.30627	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	864.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
60.47403	0.1
63.02393	0.3
67.05507	0.5
68.58797	0.1
69.03426	0.7
69.07076	0.2
71.05000	0.3
79.05491	0.9
81.03421	1.1
81.07055	3.0
83.04979	0.2
83.08600	0.2
85.02903	0.3
85.06544	0.2
89.03911	4.0
91.05492	0.3
93.07030	0.5
95.04973	0.7
95.08607	0.8
97.02895	0.3
97.10155	0.2
99.04498	0.2
99.08092	0.1
103.05460	0.1
105.04529	0.1
105.07032	0.3
107.04954	1.5
107.08587	0.3
109.02886	0.6
109.06523	0.2
109.10149	0.2
111.04459	0.2
111.08093	0.1
117.03378	5.3
119.04951	0.1
121.10133	0.2
123.11701	2.3
127.03900	0.5
131.04959	0.2
133.06525	0.2
133.10124	0.2
135.04413	12.8
136.04774	0.1
137.06027	0.6
137.09589	0.1
138.06261	0.1
138.09142	0.1
139.03928	0.1
139.08722	0.1
141.12724	0.1
145.02843	10.6
146.03204	0.1
147.04362	0.2
151.03900	0.2
151.07434	0.1
151.11197	0.4
158.06017	0.1
161.05930	0.2
163.03896	100.0
164.04222	1.4
165.09119	0.3
166.08621	0.3
167.07013	0.3
169.12210	0.8
181.04922	1.7
186.05438	0.2
187.07559	0.1
187.13330	0.5
205.04735	0.5
213.05487	0.2
271.06116	0.1
283.05792	0.1
287.05478	1.0
288.05844	0.6
289.07150	0.2
289.25266	0.1
303.15863	0.3
307.08118	1.2
307.26172	0.2
319.07935	0.3
325.09177	4.5
325.16208	0.5
331.15375	0.7
337.09036	0.6
337.14023	0.1
343.17499	0.2
349.16443	0.2
355.10599	0.1
355.15283	0.3
361.18378	0.1
409.55707	0.1
419.22058	0.1
487.12299	1.0
487.19003	0.2
493.20114	0.4
505.20667	9.8
506.20636	0.3
523.21594	0.3
667.24084	0.8
864.31274	0.8
865.30481	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02394	0.3
65.03948	0.2
67.05511	0.7
69.03423	0.6
69.07067	0.3
69.17780	0.3
69.18193	0.2
71.04996	0.3
77.48475	0.1
79.05486	0.9
81.03413	1.1
81.07053	3.2
83.04976	0.2
83.08582	0.1
85.02893	0.4
85.06543	0.1
89.03910	4.6
89.23778	0.1
91.05479	0.4
93.07037	0.4
95.04973	0.8
95.08601	0.8
97.02910	0.3
97.10175	0.3
99.04486	0.2
103.05464	0.1
105.04517	0.1
105.07025	0.2
107.04948	1.5
107.08595	0.3
109.02874	0.6
109.06536	0.2
109.10159	0.4
110.83200	0.1
111.08073	0.2
117.03376	5.7
118.03622	0.1
119.04915	0.1
119.08609	0.1
121.10162	0.2
123.11697	2.4
125.09639	0.1
127.03907	0.4
131.04909	0.2
131.08629	0.1
133.06505	0.1
133.10107	0.2
135.04411	13.6
136.04697	0.1
137.05969	0.5
137.09599	0.3
139.03868	0.2
145.02843	11.1
146.03189	0.2
147.04396	0.3
151.03810	0.1
151.11183	0.4
161.05957	0.2
163.03893	100.0
164.04225	1.3
165.09090	0.2
166.08629	0.3
167.07037	0.2
169.12202	0.5
175.07613	0.1
177.05437	0.1
179.03438	0.2
181.04945	1.8
186.05458	0.3
187.13341	0.6
205.04762	0.5
209.08151	0.1
213.05370	0.3
225.07469	0.1
283.20050	0.1
287.05453	1.1
288.05878	0.5
289.06967	0.2
303.15805	0.3
307.08136	1.1
307.26334	0.1
319.08026	0.3
325.09164	3.9
325.16364	0.6
326.09616	0.1
331.15259	0.5
337.09134	0.5
343.17441	0.1
349.16385	0.2
355.10303	0.1
355.15280	0.3
361.18707	0.1
475.18756	0.1
487.12454	1.0
487.19312	0.2
488.84747	0.1
493.20380	0.2
505.20657	10.1
506.20593	0.3
507.41760	0.1
523.21399	0.4
649.24274	0.1
667.23755	0.9
829.28162	0.1
836.51099	0.1
864.30481	0.7
865.29449	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	872.355
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	1.2
65.03943	14.8
66.65254	1.2
67.05496	5.2
69.03068	2.2
69.03429	36.1
71.01340	3.8
71.04990	53.5
73.02922	5.5
75.04485	1.8
75.53324	1.0
77.03899	2.1
79.01874	1.1
79.05491	11.3
81.03415	51.8
81.03897	2.6
81.07047	5.0
83.01349	2.6
83.04979	38.1
85.02902	73.6
87.04466	3.9
91.05473	19.1
93.03404	11.9
93.06512	1.6
93.07048	16.1
94.04173	3.7
95.04967	74.4
95.08611	1.5
97.02891	42.3
97.06529	2.6
99.04453	21.6
103.03944	2.6
103.05475	9.2
105.03375	1.7
105.04504	4.1
105.07021	9.3
107.04951	36.3
107.08582	5.0
109.02878	89.2
109.06520	16.5
111.04442	44.8
113.06017	1.5
115.03976	1.7
115.05463	13.5
117.07020	52.1
119.04926	3.0
119.08578	2.7
121.02866	100.0
121.03887	3.8
121.06506	28.1
122.06795	1.3
123.04429	30.9
123.08051	2.5
125.02345	22.9
125.06013	2.0
127.03915	62.1
127.05401	2.6
128.06232	3.4
129.05493	12.8
129.06961	8.9
131.04932	17.7
131.08525	1.3
133.02814	2.2
133.06442	6.2
135.04428	7.9
135.08032	16.8
137.02292	1.5
137.05969	6.0
137.52631	1.1
139.03897	80.6
143.08557	1.5
145.04973	7.7
145.06488	78.2
146.93509	1.2
147.04410	7.7
147.06517	2.5
147.08028	4.7
149.02339	48.3
149.05963	23.6
151.03931	14.8
153.05481	24.7
155.04878	3.4
155.06023	9.8
157.05170	1.3
157.06461	3.9
159.04408	25.9
159.08003	1.8
161.05977	6.3
163.03915	3.9
163.07541	37.6
164.09261	1.3
165.05496	10.7
167.03400	27.9
167.07092	5.4
167.08295	1.2
169.04965	2.2
171.04390	1.5
171.07968	1.3
173.05978	92.4
175.03912	12.3
175.07520	8.0
177.05481	14.8
179.03352	1.6
179.07060	1.1
181.04976	24.2
181.08583	1.3
185.04465	11.4
185.05943	1.8
187.03853	1.3
187.07596	2.6
189.05434	8.0
191.07027	73.1
193.04936	3.4
195.06462	1.9
197.04434	1.2
199.05988	12.6
199.07626	1.7
201.05470	17.5
203.07091	2.7
205.08571	10.7
209.04356	1.2
209.08069	6.2
215.07005	2.5
217.04942	2.1
219.06506	57.5
223.07692	1.7
223.09677	5.2
225.09186	2.6
231.06564	1.9
233.08113	7.5
235.05916	1.2
237.07558	74.4
243.10159	2.5
247.06007	1.4
251.09126	14.7
253.06932	2.0
255.08601	20.8
261.07446	2.0
269.07275	1.7
269.10199	15.3
271.08218	1.8
275.05438	4.2
279.08588	3.5
281.07849	2.5
291.08658	3.0
293.06549	9.6
293.09842	2.2
299.09158	3.9
307.08041	7.2
309.09692	1.3
311.07669	13.3
311.11191	2.0
317.10037	2.9
325.09152	20.7
327.08539	7.5
329.08661	1.5
335.11240	1.5
343.10272	17.9
345.09637	22.6
347.11066	1.5
353.12308	1.4
359.11322	9.9
363.10724	42.2
377.12286	25.0
381.11780	58.7
395.13406	38.0
413.14645	10.5
421.11194	3.0
435.12759	4.1
439.12363	3.7
453.13641	3.4
455.13333	1.6
457.13510	3.4
462.38440	1.2
471.15112	14.1
473.14252	4.8
487.15009	2.3
489.14246	1.8
491.15402	6.5
505.16675	2.5
507.14905	2.9
509.16663	11.7
523.17834	1.6
525.15875	4.7
527.17395	5.7
541.19159	4.2
543.17157	2.7
557.18774	2.1
875.70215	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
60.74360	0.5
61.02916	1.9
67.05502	0.5
69.03424	10.1
69.06706	0.5
69.07061	5.8
69.19524	3.0
71.04984	1.2
73.02895	1.4
78.04703	0.9
79.05503	3.9
81.02958	0.9
81.03413	14.1
81.07037	1.4
83.04997	0.5
84.04500	0.4
85.02900	22.8
87.04470	0.6
87.08102	7.5
91.03955	1.2
91.05479	2.6
93.07041	0.6
95.04958	2.4
97.02886	22.7
98.06013	0.7
98.23396	1.2
99.04435	1.4
103.05457	1.3
105.07014	1.6
105.09122	1.2
107.04950	10.1
108.04469	1.9
109.02860	6.1
115.05427	5.1
117.07011	14.5
119.04906	0.5
121.06487	1.2
122.03650	0.7
123.04450	2.8
123.11669	0.7
124.05190	1.7
125.05981	0.8
126.05499	0.8
127.03905	14.6
128.06194	0.7
129.07033	2.7
131.04907	2.2
131.08572	2.7
132.05730	0.7
133.06502	1.3
133.08557	3.2
135.04399	0.9
137.05949	2.9
141.06978	1.5
144.05682	1.9
145.04964	11.1
145.06470	36.2
147.04393	0.9
147.08044	1.3
149.05934	1.1
151.03871	0.8
151.07516	0.9
152.04689	1.6
153.05470	0.8
155.05989	6.1
155.07027	0.9
156.05659	6.7
157.06482	1.4
159.08044	5.4
161.06001	4.6
162.07596	0.6
162.24081	0.5
163.03908	4.1
163.06006	1.7
163.07425	0.8
165.05508	0.7
167.07028	47.9
169.06403	0.8
169.07628	1.2
169.12259	0.6
172.05199	1.6
173.05971	63.3
174.06566	1.0
175.03796	0.6
175.07500	2.2
177.05542	1.0
179.07004	0.7
180.08658	1.5
181.04955	1.8
181.08591	1.0
183.06497	0.6
184.05232	1.5
186.06705	1.0
187.07515	6.8
190.06232	38.0
191.06985	2.8
193.08516	2.1
195.06575	1.1
202.06235	4.0
203.07002	7.0
203.08719	0.4
204.07690	0.9
205.08585	100.0
206.08914	1.3
207.06525	1.4
207.10158	0.5
208.05170	0.5
209.08151	0.6
211.07549	0.8
213.11107	0.8
215.06970	1.0
217.08582	44.9
218.09055	0.8
219.07967	1.1
219.10176	4.4
220.08827	0.7
223.09567	3.0
229.08705	0.9
231.08043	1.7
231.10165	1.2
231.12296	1.3
233.09702	0.7
235.09628	32.9
241.10732	0.7
247.07478	1.4
247.09662	9.7
248.08278	1.8
249.11215	1.9
256.07446	0.6
259.07492	0.7
259.11792	4.6
261.08994	0.7
262.09717	0.5
263.10638	1.7
264.07840	0.9
265.10699	74.7
266.11072	0.5
269.08118	1.6
271.09598	1.7
275.06821	0.6
276.07751	1.5
277.08569	1.0
277.12766	2.5
279.10147	1.7
281.35861	0.5
282.08725	0.8
290.09369	0.6
291.10144	1.9
293.08115	1.1
293.11636	0.6
299.09106	1.7
304.07230	0.5
305.07959	0.9
307.09607	1.8
308.10336	1.0
309.18649	0.5
310.08334	0.5
311.12451	0.6
315.08603	6.0
316.09274	0.7
319.09613	1.4
323.12625	2.7
325.10791	0.5
330.10959	11.5
331.11615	3.9
336.09360	0.5
337.10495	1.3
339.12164	2.1
341.13995	0.6
343.11758	1.3
351.12283	4.7
353.10205	1.0
355.11761	0.6
368.12607	1.1
369.13187	2.0
371.14883	2.9
383.14877	17.4
385.16425	2.1
401.15921	34.0
417.15359	1.5
419.16681	0.7
581.05670	0.6
676.58038	0.5
752.15680	0.5
874.31378	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	878.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
62.97340	0.2
67.05502	0.6
68.25723	0.2
69.03422	0.9
69.07059	0.7
71.43915	0.2
71.44307	0.2
76.83475	0.2
79.05478	1.0
81.03422	3.0
81.07062	1.9
83.04917	0.2
83.08614	0.5
85.02903	1.1
89.03918	3.0
91.05468	0.9
91.14995	0.2
93.07049	1.1
95.04942	0.6
95.08610	1.7
97.02876	0.8
105.07033	3.1
107.04959	1.4
107.08603	2.4
109.02898	2.0
109.06532	1.0
109.10153	1.2
112.04513	0.2
117.03377	3.7
119.08587	3.7
121.06517	0.5
121.10146	1.7
123.08068	1.0
123.11700	0.6
127.03916	0.8
131.08563	0.7
133.06522	0.4
133.10120	4.6
135.04414	9.4
135.08029	0.4
135.11688	0.9
137.05959	0.7
137.09618	0.9
143.08560	0.8
145.02843	8.5
145.06537	0.3
145.10098	0.9
146.10849	0.3
147.04376	0.7
147.08026	0.6
147.11679	4.0
149.09665	0.3
149.13251	0.4
151.03874	0.4
151.11179	0.3
157.10126	0.8
159.11693	0.6
161.05931	0.3
161.09644	1.3
161.13315	1.1
163.03899	100.0
164.04195	0.7
165.05519	0.4
165.09081	0.5
167.07016	0.4
171.11723	0.3
173.13222	0.5
175.11189	0.9
175.14839	0.7
177.05490	0.4
177.09111	0.3
181.04947	6.6
187.11119	0.3
189.16377	6.1
199.14801	1.9
201.16583	0.3
205.04755	0.4
217.15872	13.9
219.17343	0.4
235.16914	12.1
287.05573	0.5
307.08096	3.7
321.25671	0.3
325.09164	14.0
339.26913	1.7
357.27859	18.8
358.28372	0.3
365.01935	0.2
375.28937	21.0
376.29160	0.4
537.34216	0.4
674.76031	0.2
834.68988	0.3
878.30865	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	13.9
69.03422	3.3
69.07058	6.3
69.17077	6.3
71.04990	2.5
71.08629	14.2
73.02911	2.3
79.05493	11.1
81.03417	30.3
81.03894	1.6
81.07056	19.8
83.04973	6.7
83.08614	17.2
85.02898	22.2
85.06532	2.0
85.10184	7.8
89.06033	1.3
91.03960	4.9
91.05475	16.6
93.07036	7.9
95.04958	11.1
95.08597	13.3
97.02880	6.3
97.06516	1.2
97.10152	3.8
105.07039	12.5
107.04941	3.5
107.08561	3.0
109.06493	2.3
109.10160	5.6
111.04449	1.1
111.08108	5.5
113.06013	2.1
119.08583	8.5
121.10102	4.7
123.11697	2.7
126.87029	1.0
127.03912	1.4
129.06981	5.8
131.06924	0.9
131.08556	5.7
133.06444	1.1
133.10115	5.8
137.13191	1.2
145.04973	2.1
147.08058	1.9
147.11690	7.3
149.09575	4.7
157.10110	7.4
163.06017	3.0
165.12741	1.8
175.11180	7.7
193.12238	20.9
208.46294	1.0
211.13280	33.3
257.24854	1.0
267.15933	18.6
285.16937	63.2
287.47086	1.1
313.27328	58.9
314.27563	1.1
317.86624	1.0
505.38913	15.1
523.39923	100.0
524.40155	2.1
634.41156	1.1
693.22797	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	1.0
69.03434	2.2
69.07063	3.9
69.46820	1.3
70.07389	0.5
71.04987	0.4
71.08637	1.0
73.02918	3.0
79.05496	0.8
81.03416	1.2
81.07071	1.0
83.08590	0.7
85.02905	4.2
91.03963	2.8
93.07031	0.8
95.08651	0.6
97.02888	3.4
99.04448	0.5
101.02419	1.3
127.03951	1.2
135.11726	0.6
163.11241	1.1
173.15421	0.7
174.14262	0.4
185.04260	0.5
209.11765	0.5
223.05658	0.5
229.14421	0.7
243.08632	1.5
313.27527	0.9
347.09537	1.5
365.10703	0.8
405.13647	4.7
426.75854	0.6
467.18854	7.5
467.24750	0.7
497.30917	4.0
604.33783	0.8
629.24139	6.0
659.36310	3.5
723.42810	1.5
885.48102	100.0
886.47632	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	887.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03897	0.6
67.05450	1.8
69.03424	3.1
70.32581	1.1
78.99655	0.5
79.05502	2.2
80.04970	0.8
81.02946	0.4
81.03411	3.1
81.06985	0.6
83.01306	1.0
85.01122	7.3
85.02908	7.6
86.00625	0.5
91.05474	2.3
93.07019	0.7
95.04964	9.9
96.04430	1.8
97.01110	2.9
97.02880	7.5
97.10735	0.5
98.00614	0.8
98.22800	0.7
99.04388	1.2
103.05430	2.4
105.03332	1.1
105.04461	1.5
105.06977	1.9
106.06473	2.0
107.04943	2.5
109.01104	0.7
109.02866	2.2
109.06476	1.1
111.02671	3.4
112.02183	21.3
113.00586	3.9
114.03693	0.5
115.05386	1.5
117.07007	3.2
117.52049	0.5
121.00993	0.8
121.06438	1.7
123.02608	1.1
123.04418	4.7
124.03947	37.9
124.07447	0.5
125.02280	1.9
126.03695	0.5
126.05495	2.1
127.03873	1.2
128.06203	2.5
129.06920	1.8
130.06435	0.6
130.07735	0.6
131.04837	1.5
133.02798	1.1
133.06357	0.9
135.02719	2.3
135.04408	6.2
136.01187	0.5
136.02145	5.0
137.00591	3.0
137.04198	3.9
137.05914	1.5
138.01294	0.7
138.03673	1.4
139.02165	0.9
139.03894	1.1
140.03355	1.9
145.04929	0.5
145.06416	3.4
145.36458	0.4
147.02563	1.4
147.08035	0.5
148.07533	1.0
149.04132	1.5
149.05966	2.4
150.03668	1.2
151.02060	1.0
151.03896	7.2
151.05717	1.3
152.05240	0.8
153.05406	1.9
155.04849	1.1
156.05678	0.7
157.06407	1.1
159.04430	1.2
161.04202	4.2
161.05894	1.2
162.03726	0.9
163.02103	0.7
163.05814	0.5
163.07520	0.4
164.01646	14.5
164.03093	1.0
164.05167	0.5
165.00069	2.5
165.02400	0.9
165.03682	4.3
165.05412	22.5
166.03178	0.6
167.01563	1.7
171.02621	1.2
171.04228	0.5
173.04375	0.5
173.05984	3.9
174.03679	1.4
174.05397	0.6
176.05432	0.6
176.07010	2.0
177.05482	0.7
178.03197	3.3
179.03879	0.9
179.05258	1.7
180.01120	0.6
180.04735	1.9
182.02617	0.8
183.04347	0.8
184.05177	0.7
185.05971	1.0
188.05183	1.9
189.03712	9.1
189.05400	1.5
190.03064	0.8
190.06818	0.8
191.01465	0.5
191.05237	1.0
192.01132	6.0
192.04694	1.3
193.01854	1.7
194.02725	4.1
194.08078	2.4
200.06914	0.7
201.05501	1.1
202.03166	0.8
203.07080	0.8
204.04736	1.1
205.99135	1.0
206.02637	1.8
206.06306	1.1
206.08073	1.4
207.04807	5.4
208.04260	15.3
216.04796	5.0
217.01212	0.7
217.03189	8.9
218.02652	1.3
218.06297	0.9
219.04657	0.8
220.04274	1.5
221.06267	0.8
222.05905	0.6
226.08440	0.6
230.06404	0.6
231.04816	0.5
232.04248	5.8
232.07814	0.7
234.05827	2.4
235.04214	5.4
236.03781	0.6
239.07002	0.4
242.02690	1.0
242.06300	1.8
244.04262	6.4
245.02570	0.8
246.05817	1.1
249.05742	3.3
250.08917	0.9
258.05750	1.5
260.03745	12.3
260.07303	1.3
261.04553	1.0
262.05368	5.9
264.06876	1.6
265.61795	0.5
267.06912	1.2
270.02206	0.4
270.05737	1.8
272.03769	1.0
272.07385	0.7
276.06821	1.4
278.08438	16.8
284.07330	2.0
288.03281	7.0
288.06781	1.3
289.03796	0.9
290.04868	1.7
290.08322	0.7
294.05084	0.5
294.08041	3.0
298.05322	0.7
302.08432	5.5
306.07913	3.9
312.06876	8.6
314.08481	1.2
316.02646	0.9
321.95673	0.5
322.05106	0.7
330.07928	22.3
331.08441	0.9
332.09332	0.7
340.06332	7.6
340.10080	2.0
342.07864	1.2
346.11478	0.6
354.11609	0.9
358.07397	32.8
359.08072	2.7
360.09067	2.1
368.05688	0.8
368.09839	0.6
372.08798	2.2
372.12720	4.0
376.08319	1.5
382.11108	1.9
386.06790	2.7
390.10028	15.0
392.09830	0.7
400.12216	9.8
410.10583	5.1
414.13681	0.7
428.11630	18.6
432.14673	0.9
438.10172	1.7
440.13840	1.4
442.13171	9.0
444.14685	0.6
455.09491	4.0
456.11105	6.1
460.14224	100.0
461.14972	3.0
462.15558	0.5
468.12946	0.8
468.85971	0.5
470.12701	3.1
470.73120	0.5
488.13776	8.3
513.13855	0.9
520.12347	0.8
531.14136	1.9
534.17816	1.8
545.15778	1.8
548.11847	0.8
552.15430	1.5
562.17181	1.0
563.17157	0.6
572.15509	0.7
590.16992	4.6
592.18903	0.5
604.18323	5.5
618.16522	3.9
621.55267	0.5
622.19482	65.6
623.19690	1.4
632.17755	1.8
650.18976	12.4
693.19702	1.0
725.22748	0.6
746.19318	0.5
752.21753	0.6
766.23657	0.7
784.24799	9.1
812.24011	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	887.275
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	4.0
69.03425	6.7
69.91261	2.8
69.91589	2.4
71.04979	2.2
79.05500	6.8
80.05006	2.1
81.03419	7.1
84.97486	7.2
85.01126	3.7
85.02911	12.3
87.20361	1.4
91.05465	7.6
93.03432	1.6
93.07044	4.8
95.04964	17.2
96.04496	6.3
97.01125	5.1
97.02900	11.6
100.02236	1.5
103.05452	6.8
105.03393	3.4
105.04515	2.0
105.07045	5.8
106.06558	5.6
107.04959	8.2
108.04457	2.1
109.01120	2.4
109.02899	4.2
109.06534	1.6
111.02646	6.5
112.02191	8.9
113.00552	1.9
115.05444	4.9
116.06213	1.6
117.05757	1.4
117.07028	4.1
121.01121	1.5
121.06503	6.7
123.02663	5.4
123.04450	10.7
124.03952	94.0
125.00611	1.8
125.02388	1.6
125.05976	1.5
126.05528	3.1
127.03900	2.9
128.06209	10.0
129.06993	8.3
131.04955	6.0
133.02835	3.1
133.06499	6.2
135.02618	6.2
135.04359	7.2
136.02184	3.1
136.03940	1.9
137.00563	4.6
137.04204	3.8
137.05971	1.3
138.00064	1.8
138.03748	1.4
139.02122	5.6
139.03922	1.8
140.03432	4.0
144.05675	2.6
145.06459	11.2
146.06000	3.0
147.02625	9.6
148.03452	1.2
148.07564	1.6
149.04155	6.3
149.05968	3.4
150.00067	4.1
150.03696	1.8
151.02147	2.7
151.02713	1.8
151.03876	16.5
152.01636	1.8
152.05266	2.3
153.00003	2.2
153.05489	3.5
155.04915	5.0
155.06044	1.6
156.01123	2.3
156.05708	3.1
157.06473	10.0
158.07230	2.6
159.02721	1.4
159.04399	4.4
161.04198	13.5
161.06030	2.8
162.03722	5.3
163.03941	2.5
163.05739	1.9
164.01648	14.4
164.03354	10.1
164.07042	1.6
165.00113	6.7
165.02444	2.1
165.03767	3.7
165.05476	13.5
166.03210	3.9
167.01584	6.7
169.99074	1.5
170.05989	1.4
171.02652	5.8
172.03458	1.6
173.04395	2.9
173.05986	14.1
174.03728	12.7
174.05153	2.0
175.02115	7.2
176.05254	4.6
176.07088	4.7
177.03709	4.0
177.05408	1.8
178.03235	4.2
179.03973	6.6
179.05327	2.0
180.01173	4.0
180.04729	11.3
182.02771	2.6
183.04370	4.4
184.05188	10.4
184.07535	2.4
185.05969	5.5
188.05255	7.0
189.03690	36.1
189.05360	3.3
190.06676	1.6
191.05307	2.5
191.06999	1.6
192.01129	33.6
192.04779	2.7
193.01869	6.0
194.02702	10.5
194.08136	6.0
198.03783	2.3
199.02104	3.5
200.03052	1.6
200.05307	2.1
200.07066	2.5
201.03807	2.7
201.05461	2.6
201.58823	1.2
202.03230	13.2
203.01593	6.6
203.03723	1.6
203.07092	1.8
204.04796	7.2
205.03188	5.0
205.99066	16.4
206.02681	3.2
206.06390	2.1
206.08174	3.1
207.03178	2.5
207.04817	5.1
208.00615	2.2
208.04263	13.4
211.04022	2.5
214.03099	1.7
214.06798	1.4
215.03996	3.6
215.07101	3.2
216.04764	30.2
217.03180	37.5
217.05293	2.9
218.02690	3.8
218.06308	3.0
219.04715	4.1
220.00615	4.7
220.04201	2.8
221.06248	2.1
222.02345	1.4
226.03279	1.6
227.01631	3.2
228.04720	2.8
228.06688	3.1
229.05144	3.3
230.02722	2.4
232.04237	20.1
232.07803	2.3
233.04938	1.9
234.05794	4.8
235.04242	10.0
242.02698	2.3
242.06361	4.0
243.06644	1.4
244.04257	39.3
245.02692	25.1
245.05011	2.1
246.02312	2.4
246.05775	7.3
249.05786	5.3
250.08765	3.2
252.07124	1.7
252.10136	1.6
256.04230	1.8
258.02209	2.0
258.05841	5.4
259.04089	1.9
259.06607	1.8
260.03751	58.9
260.07214	4.1
261.04486	6.5
262.05392	9.8
264.06860	1.5
266.06284	1.7
270.02725	1.4
270.05679	7.8
271.03021	1.9
272.03751	12.3
272.07233	2.7
274.09048	1.9
276.06848	6.2
277.05237	4.2
278.05154	1.3
278.08389	8.9
282.06052	1.4
284.04517	1.5
284.07181	7.7
285.08163	1.6
288.03253	60.6
288.06442	2.7
289.04001	5.7
290.04807	4.5
292.06424	1.5
294.05673	2.6
296.07214	2.2
298.05273	11.9
302.05283	1.4
302.08368	8.0
304.06354	2.6
306.07761	3.5
311.06116	1.6
312.06870	18.6
314.04990	1.9
314.08435	2.4
316.02795	17.7
320.05948	2.3
322.05380	2.8
322.08923	2.9
324.06909	2.3
330.07928	28.6
340.06412	39.2
340.10059	3.4
341.06989	2.9
342.07858	4.8
350.05176	2.4
350.08441	5.6
352.08685	4.0
354.07745	1.9
356.13412	2.3
358.07413	100.0
359.07944	7.0
360.08707	2.8
364.10187	2.4
368.05804	44.4
368.09680	14.9
372.08899	16.9
372.12982	2.0
374.10757	2.2
382.11111	5.0
386.06885	49.1
390.10025	5.3
392.09552	5.5
400.08029	10.4
400.12885	1.9
410.10544	26.6
412.12250	3.5
418.09286	2.9
420.08914	2.8
424.11893	1.6
428.11612	39.0
436.13919	2.5
438.10052	67.8
442.13181	63.9
442.18320	0.9
443.12784	4.6
444.14609	2.7
452.11713	4.9
456.11111	70.1
460.14221	15.3
461.09952	17.4
470.12683	88.2
475.11606	2.6
488.13733	90.0
513.13318	18.5
527.15228	1.7
530.15045	8.4
531.14337	33.7
545.15863	58.2
546.16431	2.1
548.12103	16.1
562.13000	1.8
563.17023	15.1
590.16864	27.6
600.15204	27.4
604.18335	14.0
604.27448	2.3
605.17999	1.5
618.16309	56.4
619.16864	1.7
622.19220	2.8
623.14929	8.3
632.17914	34.1
650.18994	47.9
675.18176	8.4
693.19403	25.5
707.21069	18.9
725.21948	10.8
775.56470	1.5
794.22260	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
62.73863	0.4
67.05510	1.4
68.97937	0.5
69.03121	0.5
69.03419	2.8
71.04961	0.4
71.08662	0.6
73.02922	3.2
79.05487	0.8
81.03446	1.7
81.07037	1.2
83.08631	0.7
85.02904	4.1
85.10176	0.6
87.27486	0.5
91.03966	2.5
91.05495	1.0
93.07070	0.6
95.48322	0.5
97.02894	4.2
101.02428	1.4
109.02862	0.9
118.98476	0.6
127.03942	1.7
134.31412	0.5
167.81511	0.5
184.33603	0.5
193.12274	0.7
203.05304	0.6
243.08531	1.5
313.27625	0.7
347.09702	2.0
405.13651	4.7
417.46500	0.6
469.20526	6.0
497.31024	3.6
557.25470	0.6
631.25677	5.3
659.36023	3.6
725.44385	2.0
887.49695	100.0
888.49524	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	888.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
62.17529	0.5
65.03928	1.5
67.05495	1.9
69.03427	9.2
70.67099	0.6
71.01331	0.8
71.05000	2.4
72.35369	0.4
77.03909	0.7
79.01869	0.4
79.05489	5.5
81.03414	22.2
81.07052	1.2
83.01344	1.1
83.04984	8.6
85.02901	2.7
89.03926	0.4
91.05470	7.0
93.03407	1.7
93.07046	2.8
95.04964	47.1
95.08595	0.9
97.02885	7.7
97.06538	0.7
99.04456	2.2
103.05454	1.9
105.03411	2.0
105.04516	2.3
105.07039	4.9
107.04950	46.2
107.08598	0.6
109.02875	76.8
109.06522	2.1
110.03691	3.5
111.04440	22.1
115.03911	0.4
115.05447	2.3
117.07015	10.1
119.04939	1.2
119.08589	4.6
121.02863	19.1
121.06506	6.8
123.04431	17.9
123.08052	1.2
125.02347	6.7
125.05984	0.5
127.03913	22.3
128.06229	1.5
129.05528	0.5
129.07002	13.1
129.07988	0.7
131.04927	4.1
133.02849	22.7
133.06490	1.6
135.04417	3.3
135.08057	2.0
137.05988	2.2
139.03882	5.4
145.04976	4.6
145.06474	14.4
147.04411	3.0
147.08038	5.0
149.02328	6.9
149.05962	8.6
151.03900	44.7
153.05458	4.3
155.04893	2.3
155.06059	1.8
157.06505	1.3
159.04387	1.4
161.05960	0.9
163.03897	1.9
163.07532	6.6
165.05473	1.0
165.09128	1.1
167.03387	7.1
167.07004	1.1
169.04980	1.3
173.05980	10.6
175.03900	4.6
175.07544	7.1
176.71373	0.5
177.05455	15.2
181.04892	0.6
185.04436	8.0
189.05571	0.8
191.07024	16.0
193.04973	1.9
193.08603	3.8
195.06517	1.6
201.05431	5.9
207.06621	0.4
209.08061	1.4
217.04948	0.6
219.06512	25.5
235.06024	1.8
237.07545	16.8
241.08389	0.4
253.07001	1.8
255.08627	13.7
259.06000	0.5
273.09680	1.0
275.05411	0.8
281.08328	0.4
293.06558	14.4
297.09647	1.2
311.07675	5.7
317.10129	0.6
327.10968	0.8
335.11346	0.6
345.09674	6.8
363.10718	100.0
364.10956	1.8
379.10468	0.6
381.11780	37.8
399.12778	6.6
455.13339	0.6
473.14163	3.2
489.13989	0.8
491.15448	2.6
507.15103	2.3
509.16525	1.0
525.16016	29.7
526.16376	0.6
543.17072	7.0
561.18127	1.6
617.18701	0.7
635.19714	6.4
653.20306	0.7
667.83179	0.4
671.21301	0.6
888.31677	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	2.1
67.05486	1.4
68.99796	0.3
69.03423	6.9
69.07050	0.3
70.62526	0.4
71.01356	0.7
71.04974	1.9
73.02909	0.6
77.03936	1.1
79.05488	6.4
81.03410	23.7
81.07037	0.9
82.04179	0.3
83.01336	0.7
83.04974	7.7
85.02900	3.8
87.04465	0.4
91.05471	8.1
91.06041	0.4
93.03413	2.2
93.07046	4.1
95.04959	47.8
95.08592	0.8
97.02888	8.2
97.06533	0.9
99.04447	2.6
101.02396	0.3
103.05463	2.7
105.03406	2.0
105.04511	2.9
105.07020	5.4
105.07722	0.4
107.04945	45.3
107.08592	0.7
109.02869	76.0
109.06511	2.7
109.10121	0.3
110.03692	3.2
111.04430	22.8
115.03939	0.4
115.05429	1.9
117.06160	0.5
117.07004	10.1
119.04932	1.2
119.08580	4.3
121.02857	20.9
121.06487	6.9
121.10145	0.3
123.04416	16.1
123.07998	0.7
125.02343	6.3
125.05970	0.3
127.03904	22.8
128.06203	1.4
129.05464	0.9
129.06990	14.2
131.04913	3.6
131.08517	0.4
132.05672	0.3
132.19669	0.3
133.02840	21.9
133.06488	2.0
135.04387	3.3
135.08026	2.6
137.02350	0.5
137.05975	1.8
137.09634	0.4
139.03886	5.5
141.01826	0.4
143.04938	0.3
145.04971	4.5
145.06474	16.0
147.04390	3.0
147.08044	4.8
149.02327	6.8
149.05966	7.5
151.03888	44.5
152.04256	0.4
153.05467	5.0
155.03696	0.4
155.04883	2.4
155.06035	2.0
157.06416	1.3
159.04413	1.8
161.05962	1.5
163.03871	2.4
163.07536	5.7
164.04356	0.3
165.05476	1.5
165.09113	1.1
167.03384	6.8
167.07045	1.1
167.08366	0.3
169.04964	1.2
173.05962	10.6
175.03885	4.4
175.07524	6.9
177.05455	14.8
179.07062	0.3
180.07225	0.3
181.04990	0.4
183.04381	0.3
185.04440	8.0
185.05898	0.3
189.05428	0.8
191.07013	14.6
193.04951	2.1
193.08600	3.1
195.06459	1.6
201.05418	5.6
207.06418	0.4
209.08060	1.1
217.04918	0.4
219.06500	24.5
225.00385	0.3
229.04886	0.3
235.05925	1.9
237.07550	16.1
253.06953	1.8
255.08601	12.4
259.06009	0.7
271.08832	0.3
273.09674	1.1
275.05496	0.8
293.06522	12.1
294.06415	0.3
297.09622	1.0
299.09061	0.3
311.07584	5.9
317.10159	0.4
327.11179	1.5
335.11121	0.6
345.09653	7.1
345.13687	0.5
357.12045	0.4
363.10690	100.0
363.48932	0.3
364.10971	1.7
365.12399	0.3
372.98969	0.3
377.12650	0.3
379.10294	0.8
381.11758	37.6
382.12119	0.8
399.12854	6.2
403.10211	0.7
421.11310	0.4
423.12924	0.4
432.93137	0.3
455.13513	0.4
473.14429	3.7
489.14063	1.0
491.15454	2.6
507.15048	2.4
509.16510	1.3
525.15985	28.1
526.16223	0.6
540.99237	0.4
543.17023	7.3
543.25311	0.4
545.18347	0.4
561.18097	1.5
617.18573	0.7
635.19641	5.4
653.20819	1.2
751.27936	0.3
888.09723	0.4
888.45209	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.365
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	12.9
67.01897	1.0
67.05509	3.5
68.99776	1.5
69.03428	33.5
69.03802	1.9
69.27225	5.2
71.01344	5.9
71.04989	61.3
73.02910	6.0
75.04491	1.2
76.80643	1.0
77.03927	3.3
79.05488	10.1
81.03412	57.0
81.07049	4.0
83.01329	2.5
83.04977	37.7
85.02899	73.4
86.09720	1.5
87.04469	3.5
91.05479	19.3
93.03395	12.1
93.07035	14.9
93.45111	0.9
94.04189	4.6
95.04963	71.1
95.08617	1.1
97.02888	43.6
97.06538	1.9
99.00835	1.1
99.04450	18.5
103.03982	1.6
103.05444	9.4
105.03412	2.6
105.04517	4.2
105.07011	8.0
107.04948	39.2
107.05677	2.1
107.08590	4.8
108.04507	1.4
109.02872	86.5
109.06510	21.1
111.04434	46.0
113.05965	2.2
113.61789	1.0
115.03962	1.4
115.05447	13.7
117.07014	50.4
119.04936	4.8
119.08582	3.1
121.02860	100.0
121.03912	3.7
121.06499	25.2
121.07320	1.9
122.03148	1.3
123.04419	30.3
123.08073	2.5
125.02345	22.3
125.03203	1.6
125.05963	2.1
127.03911	65.4
128.06224	2.9
129.05486	16.0
129.06989	6.2
131.04913	14.5
131.08568	2.5
133.02916	0.9
133.06476	5.6
135.04436	8.4
135.08041	14.6
137.02339	1.0
137.05994	4.7
139.03894	83.6
141.05493	2.4
141.06882	1.0
143.08594	1.7
144.05698	1.6
145.04999	7.6
145.06474	73.7
146.08182	1.4
147.04434	6.4
147.06535	4.5
147.08051	3.9
149.02332	49.0
149.05978	24.2
151.03902	13.5
153.05469	28.5
155.04890	4.4
155.06050	8.5
155.08559	1.2
157.04988	3.0
157.06503	4.2
159.04401	29.1
159.08087	1.2
161.05989	6.4
163.03902	4.2
163.07541	34.1
164.09177	2.2
165.05473	11.0
167.03392	26.8
167.07053	6.4
167.08397	1.4
169.05074	1.2
169.06453	1.0
171.04350	2.3
171.07968	1.6
173.05968	90.9
175.03917	12.7
175.07504	8.7
177.05472	15.3
177.09119	2.7
179.03372	3.0
179.07040	1.8
181.04956	28.8
183.04518	1.5
183.07980	1.1
183.56010	1.0
184.07336	3.7
185.04474	11.3
185.06004	1.3
187.03943	1.0
187.06047	1.4
187.07553	2.6
189.05470	6.9
189.09128	0.9
191.07018	74.2
193.04945	5.4
195.06505	2.2
195.08153	1.3
199.04152	1.1
199.05968	13.8
199.07622	1.4
201.05450	20.5
203.06990	2.3
205.05009	1.1
205.08591	14.1
207.06551	1.9
209.04454	1.1
209.08095	6.1
211.07555	1.6
213.05550	1.3
215.07133	2.0
217.04984	2.5
219.06502	62.2
221.04266	1.4
223.09544	6.8
229.08614	1.2
231.06555	2.8
233.08058	8.5
235.05893	1.3
237.07558	77.8
241.07013	1.1
247.05981	1.7
249.07660	1.6
251.06819	1.5
251.09174	19.2
253.07065	3.3
255.08563	20.5
259.06003	1.8
261.07605	1.9
269.07047	1.3
269.10187	20.3
271.07986	1.7
273.07370	1.6
275.05551	3.5
275.09045	2.5
277.07153	1.3
279.08521	3.7
281.08051	2.6
291.08728	4.6
293.06537	13.5
293.10178	5.0
295.08221	0.9
299.09064	3.3
303.08572	1.3
307.08112	9.9
309.09735	1.2
311.07620	19.1
311.11209	4.1
317.10229	4.0
325.09143	28.0
327.08612	10.6
329.08661	2.2
335.11264	3.1
343.10220	23.1
345.05420	1.9
345.09650	33.4
347.11343	1.3
353.12616	1.4
359.11142	9.6
363.10693	54.6
364.10757	1.0
377.12305	31.7
379.14249	1.4
381.11780	74.5
382.11884	1.1
395.13364	46.7
397.14322	1.0
409.11554	1.0
413.14417	14.3
421.10965	2.3
435.12686	6.4
439.12360	6.2
453.13879	3.9
455.12521	2.6
457.13385	5.6
471.14981	18.6
473.14102	6.9
487.15204	3.6
489.13971	2.2
491.15259	8.6
505.17047	3.1
507.14963	3.9
509.16663	15.3
523.18042	3.6
525.15900	6.3
527.17468	5.5
541.18811	5.7
543.17169	4.4
557.18756	2.1
655.96338	1.0
790.21924	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
65.07860	0.6
67.05510	2.3
69.03432	3.7
73.02926	3.0
79.05511	1.8
80.07519	0.6
81.03442	1.8
81.07052	3.5
85.02911	5.2
91.03961	3.9
91.05476	1.6
93.07079	2.6
95.05029	0.8
95.08632	1.6
97.02897	4.5
99.04470	0.9
101.02401	1.9
105.07024	1.2
107.08602	1.1
119.08622	0.8
121.10227	0.7
127.03930	1.2
135.11771	0.7
163.11234	1.0
185.04176	1.3
216.26344	0.8
224.29845	0.6
243.08513	2.2
245.40172	0.8
285.36414	0.7
324.72983	0.6
347.09540	2.4
355.68683	0.7
365.10742	1.1
405.13675	4.8
467.18625	3.6
519.29425	4.9
629.24329	2.9
681.34430	5.9
745.40900	1.5
907.46600	100.0
908.47162	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	909.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
63.66760	0.5
67.05496	3.3
69.03425	3.2
69.07085	0.8
71.01368	0.5
71.04981	0.7
73.02910	4.0
76.33643	0.4
79.05504	1.7
81.03399	2.5
81.07073	2.6
85.02905	7.2
85.10793	0.5
91.03947	5.0
91.05499	1.9
93.07021	2.1
93.63887	0.4
95.04969	0.6
95.08606	2.2
97.02892	6.2
99.04480	1.2
105.07063	1.3
107.08625	1.4
109.02913	0.8
109.10204	0.7
115.79847	0.4
117.79515	0.4
119.08575	0.8
121.10197	1.0
127.03944	1.8
131.08607	0.9
133.10187	0.9
135.11768	0.6
145.05028	0.7
147.11612	0.5
149.09686	0.5
150.54007	0.5
185.04184	0.6
192.71558	0.4
193.12347	0.8
203.05310	0.8
218.85979	0.4
238.39497	0.4
243.08443	2.2
245.66467	0.5
259.92776	0.5
293.67462	0.4
335.26038	0.8
347.09497	2.4
365.10553	0.9
405.13593	5.3
452.92477	0.5
469.20355	4.6
519.29205	5.5
631.25720	4.0
681.34424	7.6
747.42761	1.4
761.08362	0.5
771.77881	0.5
909.48053	100.0
910.48657	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	915.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
66.36996	0.3
69.03432	3.1
71.45262	0.4
73.02911	0.7
77.03928	0.6
79.05516	0.7
80.05042	0.5
81.03423	1.4
85.02888	4.1
87.04476	0.4
91.05519	1.3
94.06570	0.8
95.04956	2.5
96.04560	0.5
97.02894	3.2
99.04464	0.5
103.05489	0.9
104.05006	1.1
105.03416	1.2
105.04565	0.5
105.07066	0.6
106.06581	0.9
108.04489	0.4
109.02913	1.2
109.06507	0.4
111.04484	0.5
115.05495	1.5
117.05787	0.7
117.07076	0.6
118.06531	0.8
120.04507	1.5
120.08095	0.6
121.06538	0.6
123.04456	1.0
127.03936	1.2
128.06268	0.7
129.07016	0.7
130.06523	4.6
130.07272	0.4
131.04967	1.6
132.04445	4.9
132.08160	0.8
133.02861	5.9
133.05263	3.4
134.06084	1.3
135.04413	0.5
137.06038	1.2
139.03905	3.7
141.07021	0.4
143.04973	0.5
144.08119	0.8
145.05038	0.5
145.07654	0.5
146.06004	4.0
147.04469	0.5
147.05559	0.6
149.06026	0.5
150.05522	0.7
151.03940	2.5
152.03453	0.5
153.05507	0.7
153.07024	1.0
156.08138	0.6
157.07654	1.8
157.08818	0.4
158.06033	4.9
159.04503	1.2
159.06906	0.4
160.03949	5.4
160.07623	1.5
161.04805	0.5
161.06006	0.9
162.05559	1.6
163.03970	1.1
163.07594	0.7
164.07091	1.1
165.05481	13.3
165.06750	0.7
166.05081	1.0
167.07271	0.8
168.08148	0.7
169.07690	0.6
170.06134	1.1
170.09723	0.4
172.07608	0.7
173.07172	1.3
174.03101	0.4
174.05605	0.7
174.07947	2.3
174.09268	0.6
175.03889	0.5
175.06282	0.4
175.08794	1.0
176.04732	2.2
176.07133	1.7
178.04961	2.9
179.07111	0.4
180.08206	0.6
181.05080	0.5
181.06479	0.6
182.06009	2.7
182.09702	0.4
183.08046	0.6
184.07652	1.0
185.07230	0.9
187.03976	1.2
187.08856	0.6
189.05586	1.2
190.08635	0.9
191.07144	1.9
192.06555	11.5
192.08194	0.8
193.07401	1.1
194.06071	0.6
194.08241	1.3
195.06700	2.2
196.07674	1.4
198.09050	0.4
200.07140	1.0
202.08722	0.9
203.03415	2.5
203.07082	0.5
204.08119	0.7
205.08914	0.5
208.07735	0.8
209.05983	0.7
210.05519	0.5
210.09219	0.7
211.08765	0.5
212.07159	0.5
212.09537	0.6
214.08647	0.7
216.06526	0.7
217.04970	3.0
217.08922	1.0
218.08124	0.9
219.06668	1.0
219.09158	0.6
220.07683	1.2
221.10909	0.6
222.05559	1.5
222.09570	0.4
223.06354	0.9
223.08611	0.6
224.11035	0.4
225.10304	1.0
226.08530	0.4
227.07095	1.0
228.06683	1.3
229.08942	0.4
230.08192	0.8
232.07817	0.5
232.09790	0.5
233.08118	0.5
234.09235	1.0
235.06110	1.1
235.08763	1.1
236.07169	1.0
237.10258	3.2
238.08803	0.8
238.10992	3.5
242.08156	0.7
244.07643	0.7
244.09795	0.5
245.04538	0.7
245.08412	1.2
246.09091	1.3
246.11435	0.7
247.06203	0.8
247.08583	0.6
248.07185	1.0
249.10324	0.5
251.05791	0.9
251.11844	0.5
252.06705	0.9
252.10246	0.5
255.06664	0.7
256.06049	0.8
260.09378	0.5
262.08710	1.5
263.08353	1.5
263.11853	0.5
264.06616	0.6
264.09436	0.5
265.09814	1.5
265.13467	0.4
266.08096	0.5
271.12357	0.5
272.07077	0.9
273.07956	0.8
275.08289	0.9
276.10489	0.5
277.07236	1.7
277.09979	0.5
277.13559	0.6
278.08221	0.6
279.11423	0.6
280.09412	0.6
282.07645	1.0
288.08798	0.7
289.10193	0.5
289.13559	0.6
290.08264	1.7
291.11209	0.7
292.09183	0.8
293.09198	4.0
294.10098	2.7
295.10724	3.1
297.08850	0.7
301.07413	0.5
302.10461	1.0
303.11646	0.4
304.09692	1.0
305.09506	1.0
305.13028	0.7
307.10840	2.6
308.09280	0.6
310.09424	0.8
311.10358	1.6
315.11526	0.5
317.12857	0.5
318.07806	0.8
321.12534	1.1
322.11066	0.5
323.10239	2.9
324.11038	7.9
325.11929	2.5
326.12927	1.0
332.09128	0.5
333.12338	2.1
334.10672	0.4
338.12503	0.5
345.12451	0.5
348.14673	0.5
352.11783	0.4
359.10391	0.7
361.11911	1.2
363.13455	0.5
365.15170	1.5
375.13440	0.5
377.15289	1.1
391.12875	0.6
393.14459	4.1
394.15070	0.5
395.16318	1.3
401.11697	0.6
419.12390	0.7
423.15735	1.4
451.15051	3.9
453.16840	0.5
489.16946	1.1
503.18484	0.5
509.16922	0.8
521.19220	1.6
527.19653	0.7
672.60883	0.5
683.24463	11.1
753.28540	2.7
915.33923	100.0
916.34192	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	919.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05520	4.3
68.02636	1.4
69.03435	10.0
69.73863	1.1
70.06570	1.3
70.70565	1.1
71.01347	2.2
71.05010	1.4
71.14799	1.1
77.03942	1.5
79.05497	10.1
80.05040	2.1
81.03420	7.7
81.07062	2.5
83.05007	3.8
84.04526	5.0
85.01143	6.0
85.02901	13.5
86.00664	5.8
86.99048	26.9
86.99533	1.6
87.02733	2.5
88.02197	1.9
91.05476	11.7
93.07059	2.2
95.04965	16.5
97.01125	2.6
97.02369	1.5
97.02875	7.0
99.02684	3.1
102.03812	2.7
102.05560	4.9
103.03976	1.4
103.05469	6.1
105.03399	2.5
105.04553	2.5
105.07044	2.2
106.06542	10.6
107.04961	16.0
107.08650	1.2
108.04543	1.5
109.02155	2.7
109.02869	19.8
109.06517	2.6
110.99063	3.0
111.02688	4.9
111.04440	7.1
112.04000	7.7
116.01679	17.0
117.07009	1.5
119.04991	3.9
121.06510	6.7
123.02699	2.3
123.04439	8.5
124.03955	8.2
125.02361	7.0
125.04257	1.6
127.03967	5.1
130.05005	6.7
131.04909	7.8
132.08086	1.8
133.02913	4.1
133.06512	2.5
135.02640	10.2
135.04457	2.8
136.04031	1.7
137.00572	1.6
137.04231	2.4
137.05946	6.6
137.09674	2.1
138.03734	1.7
138.05499	3.0
139.02219	3.8
139.03894	100.0
141.05490	10.5
143.01657	4.0
143.02774	4.6
144.01135	2.6
145.04988	2.0
147.02632	1.4
147.04454	5.4
149.05974	11.6
150.05511	1.5
151.03896	14.1
151.07628	1.6
153.03740	3.1
153.05524	1.6
155.01659	2.2
156.04832	1.5
159.04430	7.6
160.00621	2.6
161.06071	1.8
162.02266	4.2
163.02138	9.0
163.03979	2.9
164.03450	2.9
164.05670	1.4
164.07050	8.3
165.00081	2.3
165.05472	81.3
167.07074	3.8
168.54291	1.8
175.03934	2.4
176.03406	14.2
176.04573	1.3
176.07076	2.1
177.05470	17.5
179.01578	1.5
179.07043	2.4
180.01324	1.9
181.03261	4.7
181.04999	3.3
182.02864	3.0
182.04549	4.7
184.04303	2.5
188.03777	6.7
189.03304	9.5
191.01570	10.3
191.07152	3.6
195.06448	1.6
200.03850	4.0
205.06284	2.6
206.06430	1.6
206.08162	3.0
209.02742	3.7
209.08023	11.1
210.02328	2.1
211.09773	5.2
212.03903	2.8
217.06529	1.6
223.04361	2.2
224.31674	1.4
226.10757	1.7
233.09193	1.6
234.07828	2.1
234.11227	1.6
240.03366	3.3
241.05434	2.3
251.06796	6.4
252.07028	5.3
266.08194	1.3
267.08075	5.7
268.02759	8.9
280.06396	2.3
300.05563	1.7
321.10641	1.7
335.12460	1.8
337.08627	1.8
338.06818	3.1
353.13608	2.4
355.09702	2.2
367.09598	2.7
369.11264	4.8
370.09796	3.5
381.11346	1.5
385.10760	1.8
387.12375	2.4
399.12384	5.4
405.10355	1.4
413.14227	3.3
440.99701	1.5
445.11371	1.6
475.16544	1.8
484.27789	1.4
493.12674	4.0
495.14163	2.7
507.14572	3.0
531.14716	5.7
545.15790	7.2
549.17719	2.2
561.17499	21.0
563.17059	12.2
575.19141	2.7
577.18561	11.2
595.19574	13.0
637.20404	7.7
655.18689	4.6
669.19891	4.0
707.21625	3.1
725.22455	4.3
739.23669	34.0
757.24695	37.6
818.98267	1.6
919.30042	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.6128
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17598	2.0
71.95268	1.2
72.96063	0.5
73.28353	0.4
78.11616	0.4
84.96041	0.9
97.96793	2.7
98.23444	0.8
98.97595	0.6
105.00105	0.3
110.97542	4.3
115.97837	1.4
116.98570	0.4
123.01192	0.7
124.99062	0.4
128.98593	7.0
129.02194	0.4
131.00146	0.6
133.98862	0.5
137.02728	0.6
138.02187	0.3
143.00134	1.3
146.99643	5.1
151.04349	0.4
152.00122	0.6
155.03790	0.7
161.01247	1.7
165.00751	0.5
170.01199	0.5
171.03282	1.0
175.02776	0.6
177.02293	0.4
179.02348	0.5
185.04846	1.1
189.04333	1.1
190.05124	2.3
195.06956	0.7
203.05913	1.4
204.06705	1.0
208.06253	1.1
209.08633	0.4
209.54065	0.3
216.74532	0.4
222.07677	0.5
227.09641	0.6
235.06438	0.5
237.61490	0.4
241.11047	2.0
245.08557	0.8
245.10777	0.5
252.10295	1.5
252.31087	0.4
255.12524	0.4
259.12173	1.8
263.09528	3.5
264.10397	1.1
265.11053	0.6
270.11395	1.0
277.11032	0.9
281.10709	0.8
282.11401	0.7
289.11227	0.5
291.12802	0.4
303.12766	2.0
313.15137	0.8
315.16269	51.4
316.16522	0.5
317.14267	0.7
331.15787	2.4
333.17349	100.0
334.17780	0.9
335.25586	0.5
349.16779	0.5
351.18411	52.3
352.18539	0.5
356.14496	0.8
356.18948	13.6
357.19110	0.6
369.19388	1.1
374.20041	10.2
494.58408	0.5
571.63580	0.5
591.37170	18.1
609.38257	15.0
627.39233	8.1
810.08228	0.5
921.47540	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.613
Annotation	Unknow
Peak:m/z	Relative Intensity
65.85163	0.1
69.17509	0.7
71.95135	0.5
72.95936	0.3
76.92416	0.2
84.95914	0.4
94.53106	0.2
97.96682	1.5
98.23421	0.4
98.97455	0.5
110.97555	2.2
115.97701	0.9
116.98540	0.3
121.19740	0.2
123.01070	0.3
128.98602	3.9
133.98747	0.4
134.99388	0.2
137.02640	0.4
137.03561	0.2
143.00163	0.8
146.99643	2.6
152.00101	0.3
154.03079	0.2
155.03641	0.3
161.01257	0.9
165.00610	0.2
166.01566	0.2
169.05231	0.3
171.03125	0.7
172.04036	0.2
175.02641	0.5
176.03410	0.5
179.02271	0.3
181.05328	0.2
185.04706	0.6
189.04347	0.8
189.05757	0.2
190.05176	1.1
191.03653	0.2
199.06334	0.2
203.05881	0.9
204.06628	0.4
205.07352	0.3
207.06918	0.3
208.06073	0.4
209.08456	0.3
211.06175	0.2
213.07939	0.2
217.07306	0.3
217.60661	0.2
219.08853	0.3
221.04718	0.3
221.08525	0.3
222.05650	0.2
223.06410	0.2
225.07945	0.3
227.09566	0.9
231.06740	0.2
239.09390	0.3
241.11116	1.3
243.09064	0.2
244.09879	0.3
245.10522	0.5
252.10197	0.4
255.12764	0.2
259.12131	0.7
263.09567	1.9
264.10162	0.7
265.10962	0.8
270.11417	0.3
273.13690	0.2
277.11047	0.8
277.14273	0.2
281.10574	0.3
282.11237	0.5
283.12091	0.2
285.11530	0.3
289.10934	0.4
291.12491	0.3
302.27789	0.2
303.12595	1.1
313.14569	0.7
315.16278	46.9
316.16721	0.4
317.14185	0.2
321.14001	0.2
331.15829	2.2
333.17352	100.0
334.17599	1.1
349.16943	0.3
351.18417	15.0
352.18582	0.3
356.18964	10.8
357.19583	0.3
372.25391	0.2
374.19995	5.8
390.19431	0.4
397.21692	0.2
497.12436	0.2
591.37195	8.4
609.38269	4.0
627.39270	2.7
628.40991	0.2
843.77728	0.2
859.73608	0.2
921.49030	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	0.7
65.37086	0.3
66.62495	0.4
67.05503	16.9
69.03429	6.8
69.07068	0.5
69.55733	0.7
69.56113	1.0
71.04991	1.4
73.02911	0.5
79.05489	3.6
81.03416	26.4
81.07054	9.2
83.04967	1.4
85.02905	3.9
86.09681	0.4
91.05488	2.6
93.07038	3.8
95.04967	4.4
95.08601	7.2
97.02888	4.5
97.06564	0.5
99.04453	3.4
99.08098	0.4
103.05468	1.0
105.04498	0.4
105.07006	0.7
107.04954	3.7
107.08588	2.4
108.04480	1.5
109.02877	23.6
109.06508	1.5
109.10156	45.5
110.10481	0.4
111.04455	1.8
111.08068	0.4
115.05467	1.5
117.07026	4.8
119.04936	0.4
119.08573	2.7
121.02838	0.5
121.10149	0.7
123.04430	1.4
124.05206	0.7
125.02387	0.7
125.05985	2.1
126.99457	0.4
127.03913	21.6
127.07550	0.6
129.06961	0.8
131.04956	0.8
131.08554	1.0
132.05655	0.5
133.06480	1.1
135.04355	0.8
135.08040	0.9
135.39471	0.4
137.06078	1.8
137.09612	100.0
138.09998	0.7
141.07037	0.6
144.05669	1.1
145.04854	0.5
145.05244	0.6
145.06482	10.7
147.04370	0.9
147.08022	1.0
149.05974	0.4
150.05463	0.4
151.03934	0.9
155.06013	2.3
155.10661	5.8
156.05663	2.6
157.06430	0.8
159.08026	2.3
161.05974	1.8
163.03906	1.4
163.07545	0.5
163.65515	0.3
165.09113	81.3
167.07031	15.4
167.08479	0.5
169.04987	0.5
173.05977	17.4
175.03873	0.5
175.07507	0.8
177.05540	0.4
181.04991	1.3
181.08598	0.4
183.10153	7.8
183.11687	0.6
184.05167	0.7
187.07552	2.2
189.05435	0.8
190.06245	12.7
191.07051	0.8
193.08585	0.7
195.06615	0.4
201.11215	10.0
202.06282	1.3
203.06949	2.0
205.08601	28.9
207.06473	0.9
211.07574	0.5
215.07028	0.7
217.04987	1.3
217.08588	12.6
218.21167	0.5
219.08084	0.8
219.10170	1.5
223.09637	0.8
225.11227	1.2
235.05937	1.6
235.09619	9.1
243.12227	0.5
245.11769	0.6
247.07469	0.7
247.09695	3.0
248.08205	0.7
253.07166	0.9
263.12802	0.9
265.10712	16.0
271.09689	0.5
273.11038	0.7
275.07144	0.5
279.09982	0.5
281.13690	0.6
291.12341	4.9
299.09076	1.0
308.10486	0.5
309.13327	18.3
315.08582	1.2
327.14377	28.7
330.11035	2.6
331.11749	1.0
345.15164	0.6
351.12054	0.8
355.13794	1.0
356.12454	0.4
368.12567	0.7
369.15536	3.5
371.14749	1.2
381.14911	0.5
383.14917	5.2
387.16486	0.7
399.16257	0.4
401.16022	6.9
417.15472	1.8
435.16507	4.9
452.19226	0.7
453.17548	17.4
470.20184	0.5
471.18616	13.8
488.21249	0.8
489.19818	4.8
559.00720	0.4
628.05212	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.6595
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06088	0.6
71.08131	0.7
74.97548	0.6
75.59082	0.6
84.96049	0.7
97.96818	1.7
110.97630	2.3
116.98574	0.6
128.98596	3.2
131.99596	0.6
146.99649	2.0
161.01109	0.7
185.04807	0.9
189.04314	0.7
190.05113	0.9
197.33797	0.7
204.06674	0.7
217.09111	0.8
237.10167	0.6
259.10144	0.8
263.09409	1.4
277.11130	0.8
305.14453	0.8
315.16180	1.0
317.17844	40.8
332.13593	0.6
333.17264	3.7
335.18915	100.0
336.19324	1.2
353.19962	28.4
358.20551	14.5
359.21021	0.7
371.21045	1.8
376.21579	4.0
392.22025	0.8
555.42426	0.8
595.40314	44.1
613.41321	11.4
631.42639	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	938.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	3.2
69.03427	3.6
69.07062	2.5
69.77602	1.3
71.01345	1.3
71.04993	2.7
73.02898	0.3
73.06548	0.3
74.87772	0.4
77.03931	1.0
79.05492	9.8
81.03413	2.3
81.07052	17.4
83.08597	1.1
85.02897	3.4
87.04457	1.1
91.05476	5.4
93.07042	11.9
95.01359	0.4
95.04962	16.5
95.08601	7.0
97.02895	3.6
97.06514	1.2
99.04422	0.4
99.08089	0.7
103.03957	0.8
103.05453	2.5
105.03390	1.1
105.04513	2.0
105.07021	10.1
105.07721	0.5
107.04951	100.0
107.08584	8.8
108.05293	0.6
109.02874	10.3
109.06507	2.6
109.10155	10.0
111.04424	0.8
111.11692	0.4
113.09624	0.3
115.03938	2.4
117.07024	0.9
119.04941	0.5
119.08584	20.7
120.08923	0.4
121.06492	6.6
121.10132	2.7
123.04419	4.0
123.11707	3.4
125.02348	3.3
125.06003	0.8
125.09680	0.4
127.03906	1.5
127.11195	9.7
131.04900	2.6
131.08543	0.4
133.02878	3.5
133.04939	1.6
133.06555	0.5
133.10129	8.2
135.04416	3.4
135.11691	17.8
137.05963	1.7
137.13237	0.7
139.03896	4.2
139.07559	0.6
141.05519	0.4
143.10669	0.6
145.04900	0.7
145.10081	0.8
146.24619	0.3
147.04404	0.7
147.11674	5.2
149.04839	0.7
149.05980	9.3
149.13249	2.0
151.03897	16.0
153.05473	1.5
153.12741	4.2
159.04416	1.2
159.11713	0.7
161.13266	2.5
163.03859	2.3
163.07617	0.4
163.14836	1.0
165.05472	66.5
167.07043	9.0
167.08476	0.4
173.13152	0.4
175.14818	1.2
177.05467	13.1
177.16400	0.8
191.07033	1.2
193.05011	0.9
195.06531	9.3
201.16241	0.4
203.17940	19.4
205.19510	0.8
209.08078	19.0
213.07555	0.9
221.18994	39.8
225.07571	1.2
227.09128	56.4
271.05920	0.4
271.09677	0.5
295.10379	0.5
353.22906	0.5
365.23233	0.5
383.24603	0.6
389.14352	4.0
397.23807	0.6
402.55527	0.4
415.25076	0.6
429.26285	0.8
447.27432	1.6
471.32794	0.4
559.32672	0.4
609.32727	2.6
938.33295	0.6
969.65436	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05154	0.8
67.05500	13.9
69.03417	4.1
71.04987	0.8
73.79874	0.4
78.04672	0.7
79.05479	4.9
81.03411	22.6
81.07047	8.1
83.04993	0.8
85.02912	3.8
91.05452	4.4
91.24252	0.5
93.07034	3.5
95.04965	5.9
95.08601	5.4
97.02882	4.2
97.06514	0.5
99.04447	2.0
99.08070	0.9
102.04662	0.6
103.05463	0.9
105.04489	0.5
105.07011	1.6
107.04939	9.8
107.08578	2.8
108.04479	3.1
109.02863	13.3
109.06480	1.7
109.10148	40.6
110.03658	0.8
111.04420	1.2
115.05440	5.7
117.07002	13.5
119.08562	3.1
121.06490	0.8
121.10183	0.8
123.04422	2.7
124.05194	1.5
125.05963	2.5
126.05535	0.5
127.03893	5.7
127.05379	0.8
128.06194	1.4
129.06966	2.3
130.04095	0.6
131.04901	1.9
131.08554	2.6
133.06465	1.9
135.04477	0.6
135.08041	1.7
136.64218	0.5
137.06003	3.8
137.09601	96.5
140.04720	0.4
141.06984	1.8
143.04863	1.1
144.05685	1.7
145.06473	33.6
147.04378	1.3
147.08058	1.3
149.06001	0.8
151.03883	0.9
151.07549	0.6
152.04662	1.0
153.05490	2.2
155.04887	0.9
155.06001	5.4
155.07065	0.7
155.10652	5.2
156.05667	5.8
157.06459	2.0
159.08054	5.0
160.05243	0.8
161.05965	3.9
162.07735	0.5
163.03897	2.8
163.07559	0.7
165.09099	87.3
166.09384	0.9
167.07022	40.1
169.06390	0.8
169.07605	0.7
171.04488	0.5
172.05176	0.9
173.05968	65.0
174.06473	0.7
175.03909	0.8
175.07457	2.1
177.05414	0.9
180.08661	0.8
181.04970	1.6
181.08606	1.3
183.08376	0.7
183.10144	7.7
184.05159	1.7
186.06763	1.3
187.07549	7.2
190.06232	37.1
191.06960	2.2
193.08583	3.1
195.06505	1.1
201.09258	0.8
201.11177	9.3
202.06206	4.2
203.06979	7.2
204.07935	0.7
205.08583	100.0
206.08910	0.6
207.06491	1.2
207.10126	1.3
208.05135	0.6
209.08044	0.8
215.07028	1.5
217.08569	43.6
219.07990	1.3
219.10159	4.4
220.08707	0.7
223.09607	2.0
227.12732	1.0
229.08426	0.6
231.08023	1.2
231.10107	0.5
233.09781	0.6
235.09608	29.8
236.08194	0.9
247.07475	1.9
247.09653	8.4
248.08250	2.0
249.11235	0.9
251.10619	0.5
259.07578	1.0
261.08975	0.8
262.09940	0.7
263.10620	1.4
263.13028	0.7
264.07635	1.0
265.10690	62.4
269.07983	1.5
271.05914	0.4
271.09610	3.0
275.06833	0.6
276.07730	1.4
277.08530	1.5
279.10062	2.3
281.08148	0.5
282.08838	0.8
289.08319	0.6
290.09427	0.9
291.12451	10.1
293.07950	1.3
293.11328	0.5
299.09064	1.2
304.07303	0.5
305.08096	0.6
305.11786	0.5
307.09540	2.6
308.10403	1.4
308.14993	0.6
309.13309	35.2
311.12546	0.7
315.08572	4.8
316.09711	0.7
319.09634	0.7
321.11090	0.9
323.12708	1.8
325.10660	0.8
327.14407	11.1
330.10916	10.9
331.11874	2.9
336.09836	0.7
337.10608	1.3
339.12192	5.2
343.11517	1.2
345.15402	2.2
351.12164	4.6
352.13318	0.5
353.10086	0.7
356.12582	0.6
357.13324	1.4
368.12411	1.0
369.13477	2.4
371.14767	3.6
383.09885	0.6
383.14841	15.4
401.15909	27.5
780.49829	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05466	0.1
69.12624	0.1
69.12957	0.8
71.06966	0.2
71.07370	3.3
71.67447	0.1
83.41662	0.1
86.09703	29.0
98.98461	2.6
104.10748	2.9
123.08066	0.2
125.00001	19.6
143.01099	0.2
163.01590	0.1
184.07335	100.0
185.07664	0.1
212.27658	0.1
270.00964	0.1
270.65805	0.1
326.49310	0.1
467.99399	0.1
565.43311	0.1
570.35510	1.5
572.37311	0.2
588.36566	27.4
589.37140	0.2
590.38147	1.8
631.57397	0.1
942.48334	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	947.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05525	0.3
71.45183	0.2
79.05482	0.3
80.76247	0.2
81.91094	0.2
93.07036	0.3
95.05005	0.3
96.01868	0.2
105.07085	0.3
109.02827	0.3
119.04985	0.4
129.85617	0.2
131.04955	0.2
135.04472	0.3
137.05951	1.6
137.09689	0.4
138.06352	0.5
139.06645	0.3
143.57368	0.2
151.03873	0.3
153.01802	0.3
161.06058	0.2
161.26617	0.2
163.04001	0.9
163.07545	0.6
165.05618	0.4
165.09131	0.2
166.86066	0.2
167.03194	0.2
167.07080	0.7
169.04715	1.8
185.04198	1.1
204.04022	0.2
205.08516	0.3
223.09412	4.0
223.11374	0.3
239.23846	0.2
241.09319	0.6
265.10464	1.2
271.05978	1.8
287.05695	0.6
287.08939	0.3
295.11765	0.5
301.07080	0.5
349.12741	0.6
351.14194	0.5
367.13635	10.8
394.14093	0.3
425.12320	0.5
440.14444	1.5
441.15286	0.5
449.14291	0.3
521.19727	1.3
587.17499	0.4
601.18860	0.7
603.20911	2.3
783.28241	0.4
785.29840	2.7
947.35132	100.0
948.35004	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	948.28
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	3.5
69.03430	6.0
76.69673	1.4
77.03923	1.8
79.05479	10.7
81.03414	7.6
81.07050	3.6
85.02898	1.8
91.05496	4.8
93.07035	2.6
95.04970	15.9
97.02903	5.1
99.04505	1.7
99.90131	1.6
103.05448	3.4
105.04515	3.0
105.07037	3.1
107.04952	14.4
109.02923	3.7
109.06514	3.2
111.04444	1.9
119.04970	2.8
121.02890	4.3
121.06513	4.6
123.04438	5.6
127.03898	4.3
128.06200	1.9
131.04948	3.7
133.02896	3.6
133.06514	6.2
135.04407	48.1
137.05972	12.0
139.03940	2.7
139.17743	1.5
147.04431	3.1
149.02347	5.9
151.03900	45.8
153.05446	6.4
158.60976	1.5
159.04422	2.5
161.05997	4.6
163.02141	3.2
163.03886	4.9
163.07599	1.5
165.05476	100.0
167.03387	16.0
167.07034	78.3
171.02670	1.5
173.04152	2.0
175.02100	2.1
177.00079	1.6
177.03748	2.0
177.63229	1.6
181.04997	7.8
181.06367	2.0
182.07210	1.6
184.03394	3.0
185.04236	3.3
187.02164	2.0
187.05820	3.4
187.07549	1.5
189.00073	5.6
189.03691	4.7
191.01651	7.5
191.07249	1.4
194.68845	1.7
197.04237	4.0
199.05717	2.5
200.02925	2.3
201.03708	5.0
203.01558	3.1
203.05257	3.4
205.03130	2.3
207.01128	2.3
211.05803	3.0
211.09732	1.7
213.03711	6.5
215.01659	2.0
215.05228	6.7
216.99599	4.8
217.03268	3.7
219.01114	5.0
221.04231	3.7
223.05705	2.9
225.03658	3.4
227.05324	3.2
229.03232	3.5
229.06831	2.4
231.01210	2.0
231.04663	2.1
235.05710	3.5
237.03732	4.1
238.04514	2.8
239.01797	2.1
239.05174	3.9
240.06180	1.5
241.03142	10.0
241.06860	2.5
243.04729	8.2
249.02196	1.8
251.05266	4.7
253.03152	2.3
253.07051	3.2
255.01173	4.1
255.04733	4.7
257.02679	6.1
257.06302	1.8
259.04169	5.4
263.05231	5.6
265.06873	2.4
267.04684	5.9
269.02695	6.4
269.06290	3.1
271.03925	8.4
272.06451	2.3
279.04749	6.4
281.02960	1.6
281.06305	4.4
283.00827	3.7
283.04288	6.5
285.02164	5.3
285.05759	3.4
287.03802	5.8
291.04718	8.9
291.07950	2.9
293.02820	2.9
293.06235	3.3
295.04221	2.4
295.07791	1.9
297.05820	3.8
301.05420	6.0
303.06989	1.7
305.06134	2.1
307.04321	6.1
309.05750	11.3
311.00244	3.3
311.03778	5.5
313.01932	1.7
313.05194	1.9
317.02563	2.6
317.06131	1.7
319.04141	5.1
319.07669	3.0
321.09467	2.1
323.03827	1.8
323.07303	3.7
325.05310	4.1
327.06839	6.4
329.04837	4.9
333.09360	1.8
335.03650	9.4
335.07254	2.6
337.05450	13.5
337.08997	2.7
339.03226	3.5
339.06854	3.6
341.04691	3.8
343.08173	1.9
347.06488	2.1
349.08893	2.5
351.06787	1.8
351.10614	2.3
353.04788	22.5
353.08740	1.9
355.06281	15.7
355.10129	2.6
359.07172	2.3
361.08810	2.4
363.03220	7.5
365.04697	5.7
369.07999	1.7
371.05963	6.9
375.05704	4.4
377.08652	3.0
379.05930	3.5
379.10242	3.6
381.04214	13.5
383.05627	3.9
385.07217	7.7
387.06763	2.2
389.08197	6.0
391.02548	2.4
393.07593	2.1
395.09714	2.7
397.07162	3.6
399.05408	6.3
405.07886	11.5
407.09308	6.4
409.07635	10.9
411.08829	3.3
413.07288	8.2
415.07999	5.7
423.08914	22.4
423.13425	2.2
425.10538	8.0
431.07968	7.3
433.07800	8.9
435.08997	4.0
437.07071	4.5
439.12469	3.1
441.05673	2.5
447.08698	2.4
449.10394	3.3
451.08316	14.6
453.10172	7.0
455.07068	1.7
459.07492	3.8
461.06653	2.5
465.09998	6.0
467.11707	15.6
469.09616	20.3
471.11032	8.5
477.08472	3.4
479.07974	9.8
481.13406	2.1
483.11212	22.9
485.12601	34.1
493.09711	7.7
497.08911	23.9
501.12164	2.2
503.13754	3.4
505.07864	2.8
511.10675	28.1
515.09790	9.5
519.09692	2.3
521.09155	3.7
525.08118	3.0
529.04095	2.9
529.11627	40.9
539.10107	13.8
543.13452	11.6
547.12830	7.2
553.11340	2.2
557.11163	12.4
571.12244	4.3
575.11615	2.7
588.38690	2.1
623.12177	2.1
641.12701	4.8
687.13324	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	954.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	0.1
69.03419	0.6
70.21342	0.2
71.04980	0.1
79.05485	0.5
81.03413	1.8
81.07054	0.3
83.04972	0.1
85.02908	0.8
89.03912	3.7
89.04462	0.2
91.05473	0.2
93.07027	0.3
95.04955	0.4
95.08585	0.3
97.02879	0.4
97.06504	0.3
99.04430	0.3
105.04493	0.1
105.07022	0.3
107.04961	1.2
107.08582	0.2
109.02884	0.8
109.06503	0.3
109.10078	0.1
111.08070	0.1
117.03376	4.4
119.04927	0.1
119.08546	0.1
121.06493	0.7
121.10149	0.1
123.04379	0.1
123.11663	0.1
125.06007	0.3
127.03930	0.5
131.04839	0.1
133.10110	0.2
135.04411	10.2
137.05981	0.3
139.03862	0.1
139.07503	0.2
143.07045	0.3
145.02846	9.1
147.04381	0.1
147.07986	0.1
147.11667	0.5
151.03848	0.2
157.10143	0.1
158.49179	0.1
159.06505	0.1
161.13165	0.1
163.03894	100.0
164.04266	0.6
165.05486	0.1
165.12764	0.2
167.06992	0.2
171.11630	0.3
175.11197	0.3
177.05493	0.2
181.04945	3.5
184.07423	0.1
186.05470	0.3
189.12643	0.2
193.12268	0.3
195.08179	0.1
199.11214	0.3
207.13837	0.2
211.13213	0.3
217.12195	1.1
220.44728	0.1
227.16470	0.1
229.14378	0.2
235.13257	1.4
237.11183	0.1
250.06709	0.1
252.66731	0.1
253.14322	3.9
271.05942	0.2
271.15396	1.6
289.07123	0.8
289.16455	2.6
307.08105	2.0
325.09174	11.7
379.17184	0.1
415.17877	0.1
433.18646	0.3
451.19611	0.3
469.13300	0.1
478.98572	0.1
487.12366	2.3
542.10687	0.1
548.91376	0.1
613.15472	0.1
621.32086	0.1
631.16278	0.3
649.17657	0.6
954.34375	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	954.615
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	79.5
69.07069	27.1
69.43161	16.8
69.43562	16.4
73.02928	9.3
73.68191	5.9
79.05503	62.5
81.07059	86.9
83.04951	8.4
85.02906	28.7
91.03955	13.1
91.05491	43.4
93.07043	88.0
95.08601	53.5
97.02879	14.2
105.04505	6.8
105.07011	32.1
107.08598	45.7
109.10158	34.6
111.08183	6.7
117.06977	11.9
119.08559	19.5
121.10127	26.0
123.11733	11.8
127.93380	5.6
131.08583	21.7
133.10156	21.2
135.11761	14.5
145.04939	11.2
145.10127	14.1
147.11661	16.1
149.13303	8.3
159.11655	12.8
161.13326	10.2
163.06076	7.6
163.14803	7.4
170.83003	6.0
173.13246	13.6
201.95770	6.5
241.19478	6.3
243.21140	7.2
259.20755	13.7
261.22183	23.3
310.37506	6.5
315.90265	6.2
319.47467	7.5
333.24146	9.9
335.25858	100.0
337.27261	15.6
382.90515	6.9
475.82111	6.2
595.47034	17.8
613.47968	30.1
616.90454	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	961.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	7.0
69.03426	11.0
70.16846	1.1
71.05019	1.7
73.02916	1.7
76.26057	1.0
77.03924	2.2
79.05491	6.9
80.05002	2.3
81.03407	7.5
81.07052	5.0
83.01341	1.8
83.04975	2.6
84.50073	1.2
85.02901	18.8
87.04456	1.7
91.05483	9.2
93.07053	3.0
94.04171	1.3
94.06564	2.4
95.04971	26.6
97.02903	8.9
103.05475	3.7
105.03423	5.7
105.04549	4.4
105.07048	2.5
106.06561	3.5
107.04983	6.8
109.02866	6.3
109.06526	3.0
111.04445	2.6
115.05464	3.7
117.05791	1.4
117.07017	3.1
118.06549	3.2
119.04940	2.0
121.02848	1.7
121.06526	2.4
122.03652	1.7
122.06018	1.3
123.04437	10.3
123.11758	2.8
124.03942	2.1
125.02393	1.3
127.03896	5.5
128.06226	2.8
129.06992	4.3
130.06531	36.8
131.04953	4.9
131.08647	1.2
132.04459	12.4
132.08107	9.0
133.02879	3.4
133.06480	2.5
135.04385	6.0
137.02321	1.3
137.05994	14.8
138.05537	2.5
139.03908	33.0
141.05455	2.2
141.07045	2.2
142.06546	1.6
143.07298	1.5
144.08104	4.0
145.04979	1.3
145.06525	2.7
145.07556	1.5
146.06010	10.3
146.09706	1.1
147.04398	2.1
147.08011	1.8
148.07610	2.8
149.05991	2.1
150.05504	4.9
151.03900	12.7
154.06526	1.8
155.07080	1.6
156.08076	3.6
157.06509	2.4
157.07642	7.6
158.04718	1.7
158.06023	34.2
159.04437	3.0
159.08047	1.2
159.09219	2.0
160.07571	10.6
161.05965	2.2
163.03940	2.1
164.07033	1.7
165.05478	100.0
167.07112	5.0
167.08458	1.8
168.06898	1.4
168.08136	2.8
169.07640	5.4
170.06010	2.9
171.08041	2.3
172.07632	3.0
174.05479	1.9
175.03815	1.9
175.07433	1.7
175.08693	9.7
176.04713	4.8
176.07065	8.7
177.05505	3.4
180.08121	3.2
181.06436	2.7
181.10104	1.3
182.06032	1.5
182.09666	1.4
183.06622	3.7
184.07567	6.4
185.07191	8.1
186.05453	5.4
187.08727	2.9
188.07101	5.2
189.05496	4.1
190.08723	1.3
191.07104	2.4
193.08780	1.8
194.09677	1.6
195.09210	3.3
196.07707	1.5
197.07347	1.3
198.20921	1.2
199.07535	2.0
202.04904	1.4
202.08815	2.5
203.03532	3.1
203.08267	9.4
204.06511	8.7
208.05916	1.5
208.07649	2.3
209.06044	1.6
209.10818	2.3
210.05585	1.4
210.09117	2.1
212.07062	1.3
214.08681	1.4
215.08253	3.3
216.10306	1.5
217.05019	2.6
220.07623	1.8
221.09175	4.4
221.58488	1.2
223.11171	1.3
227.07057	1.9
228.10187	1.2
231.07639	5.3
233.09143	1.7
237.05501	1.6
238.08685	6.9
239.08347	1.4
244.09634	1.6
247.08492	1.8
253.09811	1.4
254.08104	2.0
255.11308	3.7
265.09592	1.5
266.08142	1.4
269.08154	2.0
273.12439	2.0
275.07889	1.2
277.07071	2.4
278.08261	1.5
279.10422	1.6
285.11084	1.5
287.05481	1.7
289.08969	1.9
291.11115	3.1
298.10828	1.9
303.11139	1.3
307.10635	2.8
314.10370	2.2
323.13885	1.2
325.10745	1.7
331.11063	1.2
331.17856	1.7
335.10034	3.4
335.13641	2.0
339.09683	1.9
345.12668	1.6
347.10971	2.3
353.11276	5.4
367.12012	2.7
385.12796	3.5
405.14349	1.8
417.15488	15.8
419.16159	1.8
423.15604	6.3
437.17139	16.2
447.15887	1.9
455.18106	18.7
457.24094	20.7
473.16916	1.4
479.14249	2.3
484.14511	1.2
509.16446	3.0
512.18787	1.4
517.20331	2.4
524.18762	2.8
527.24591	8.0
535.17114	4.2
537.17609	1.3
549.18549	4.4
567.20038	1.8
569.18732	1.8
585.20917	2.5
587.20142	6.4
597.20587	1.4
598.21381	2.4
599.22284	17.4
601.21600	4.4
605.21161	3.8
617.23389	15.8
619.22919	17.2
637.23541	5.1
679.24274	5.0
697.21985	3.3
711.24005	9.9
737.29083	1.6
749.24884	5.1
751.45813	1.3
761.27002	5.0
763.26422	2.0
767.26117	6.9
779.27734	1.5
781.28137	36.7
799.29230	24.1
899.32990	1.5
943.33331	46.6
961.34113	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	961.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	6.7
69.03429	8.7
71.01318	0.5
71.04979	1.4
73.02904	1.2
74.02436	0.5
77.03934	1.6
79.05489	6.6
80.05014	0.7
81.03410	6.2
81.07060	1.6
83.01321	0.9
83.04967	0.6
85.02903	16.1
87.04473	1.4
91.03951	0.5
91.05471	4.7
93.03429	0.5
93.07036	1.6
94.04179	1.2
95.04965	22.3
97.02888	7.8
99.04442	2.2
103.05470	2.1
105.03399	4.1
105.04490	3.4
105.07020	2.7
106.06557	0.6
107.04948	3.4
109.02882	3.2
109.06505	4.0
109.10161	0.5
111.04440	1.4
115.05446	3.3
117.05772	1.1
117.06984	1.9
118.06525	1.0
119.04932	1.3
119.08590	0.8
120.04491	0.9
121.02873	1.3
121.06447	1.1
122.03660	1.2
123.04428	9.9
127.03915	3.1
128.06209	1.4
129.06995	3.1
130.06520	11.2
131.04938	3.1
131.08585	1.3
132.04446	2.0
132.08083	5.5
133.02852	3.1
133.06496	2.0
135.04422	3.6
137.05965	6.1
139.03896	7.8
141.05484	1.3
141.06984	1.9
142.06525	1.8
143.04889	0.8
143.07281	1.3
143.08519	1.2
144.08089	2.2
145.04893	0.8
145.06488	1.3
146.06009	4.6
147.04399	1.5
147.08064	1.4
149.02318	1.0
149.05978	1.7
151.03899	10.2
153.05429	0.9
153.06987	2.2
154.06529	1.5
154.07698	0.7
155.05981	0.9
155.08519	1.1
156.06833	1.5
156.08087	1.2
157.06445	2.2
157.07616	7.6
158.05995	5.5
158.08353	1.2
158.09589	0.6
159.04436	1.8
159.08110	0.8
159.09171	20.9
160.07555	2.3
161.05978	2.0
163.03838	1.2
163.07547	0.8
165.05467	100.0
167.03363	0.7
167.07175	2.2
167.08485	0.9
168.06862	1.0
168.08080	2.2
169.07605	29.3
170.06020	0.9
170.08379	1.9
171.07988	1.3
171.09239	4.4
172.07574	0.7
173.05925	0.8
175.03888	2.0
175.07445	1.6
175.08688	3.9
176.04677	3.4
176.07050	0.6
177.05507	1.3
179.07104	0.6
179.08554	0.8
180.08115	2.7
181.04993	1.1
181.06445	1.6
181.08905	1.1
182.08351	1.6
182.09691	1.9
183.06686	3.2
183.09200	1.7
184.07550	1.5
185.05894	1.8
185.07277	5.2
186.09265	0.6
187.03839	0.6
187.08766	2.3
188.07043	1.1
189.05475	2.6
189.06931	0.5
189.09149	0.5
190.07744	0.5
191.07021	1.3
191.33739	0.5
192.08025	1.3
193.08836	1.8
194.09622	1.9
195.09184	1.9
196.07591	1.6
197.07138	0.9
198.05351	0.6
198.08952	0.4
199.07559	1.5
202.07364	1.7
203.03333	1.3
203.08212	10.9
204.06409	0.6
204.08098	1.2
205.10194	0.8
206.09756	1.2
207.09119	0.8
209.05946	2.0
209.07840	0.5
209.10760	1.5
210.09193	1.1
211.07401	0.7
211.08844	0.6
211.12326	1.1
213.06592	8.9
213.08812	0.7
215.08205	5.4
217.04973	2.3
217.08661	1.9
218.09660	1.0
219.06396	0.9
220.07506	1.6
221.09186	3.8
221.11096	0.8
225.05519	0.7
227.07047	1.4
227.11789	0.7
230.09674	1.0
231.07640	3.3
232.11438	0.5
233.09129	2.2
234.09155	1.7
234.11359	0.7
236.10934	0.6
237.05429	1.5
237.10100	1.1
238.08583	5.2
239.07036	0.7
241.08646	0.7
243.07545	0.6
244.11279	1.0
245.08292	1.2
245.10716	0.9
246.09148	0.8
247.08545	0.7
247.12422	0.7
248.07030	1.3
253.09581	0.9
255.06538	1.8
255.11311	5.7
256.11298	0.8
257.08490	0.6
258.09137	1.2
259.09622	1.2
260.10757	0.9
261.10022	1.2
262.08716	3.0
263.07773	0.5
263.11838	0.5
264.10175	1.2
265.05179	0.7
265.09357	1.6
267.10614	0.6
269.08246	1.2
269.10901	0.8
270.09042	1.7
271.05798	1.0
271.08752	0.6
271.12265	0.8
272.10742	0.6
273.09967	0.9
273.12354	1.2
274.08545	1.6
276.10065	0.9
277.07043	1.1
277.09912	1.2
279.10257	1.1
283.05817	0.8
283.10468	1.1
284.10614	0.7
285.07767	0.7
286.08423	1.0
287.05432	0.5
287.08905	1.7
288.10016	1.4
289.09177	1.9
291.11331	4.7
292.12094	0.7
293.12408	0.6
297.07535	1.3
297.10880	0.7
298.08600	1.1
299.11823	1.2
300.09555	0.5
301.10083	0.8
303.11453	1.0
305.13071	0.7
307.09882	2.2
308.10513	0.7
312.09900	0.8
314.07797	0.6
314.11649	1.0
315.08466	1.1
316.09488	1.1
317.08969	1.7
317.12817	0.8
318.11102	0.9
319.11401	0.7
321.11389	0.8
325.10126	0.9
329.09995	0.7
330.10968	0.7
335.10052	5.3
337.11487	0.5
339.09061	0.8
339.12643	1.5
341.13443	1.8
342.11093	0.6
343.10730	0.7
343.14368	0.9
347.10913	2.3
349.11401	1.1
353.10989	2.4
357.12976	0.6
358.10300	0.7
359.13950	1.4
360.12195	0.6
361.15314	0.6
365.11395	1.3
367.12088	3.1
369.10980	1.6
370.10938	1.5
371.10275	1.0
374.10220	0.7
375.17252	0.6
376.11624	1.7
381.13214	2.0
384.11652	0.6
385.12103	2.5
387.13474	1.3
393.18063	1.3
399.14355	2.3
403.12830	1.2
405.14560	1.7
411.13794	0.7
417.15421	11.3
419.15952	2.0
423.15613	2.8
430.96609	0.5
434.11954	0.8
435.15463	1.0
436.15439	0.5
437.17093	5.9
455.18201	9.2
471.15182	0.6
473.16815	1.3
476.16696	0.6
499.14359	1.3
509.16309	2.7
511.19232	0.5
514.18469	0.7
517.15448	2.7
523.19440	0.7
525.19867	1.0
526.19147	1.0
531.17487	1.1
535.16766	0.9
541.19604	0.7
543.20782	1.3
549.18799	2.9
551.18781	1.0
555.17072	0.8
557.22412	0.9
567.19153	0.9
569.18872	2.4
573.20447	0.7
575.23676	1.2
585.20203	1.0
587.20081	6.0
591.23169	0.7
597.20343	1.9
598.21417	3.7
599.22479	5.8
601.21124	3.8
602.19928	1.4
605.20740	2.0
617.23303	22.1
618.23486	0.6
619.22913	6.5
635.21936	1.0
637.24066	3.4
638.21436	0.8
679.21332	0.9
683.24670	0.6
694.23114	2.0
697.22125	1.5
705.25531	0.7
711.23840	5.7
715.52698	0.5
719.26764	2.0
729.24298	0.6
731.23718	0.8
737.28534	1.5
749.25372	6.3
761.27008	1.1
763.27417	3.9
767.26306	5.0
779.28461	2.6
781.28076	26.0
782.28033	0.9
799.29297	13.6
871.29443	1.4
899.33807	1.6
911.30701	0.9
929.30273	0.9
943.33307	18.5
961.34265	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	967.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01860	0.4
67.05500	0.2
68.99458	0.2
68.99802	0.4
69.03414	0.1
71.45562	0.1
79.05486	0.7
81.03455	0.2
81.07058	0.3
85.02914	0.2
91.05490	0.8
93.07042	0.3
95.04968	0.3
95.08613	0.1
96.72571	0.1
97.02901	0.2
98.06256	0.1
102.75639	0.1
103.05448	0.4
105.04539	0.1
105.07018	0.2
107.04942	0.9
107.08569	0.1
109.02873	0.2
109.06518	0.6
119.04939	2.0
121.02866	0.7
121.06544	0.2
127.03883	0.1
131.04922	0.3
133.06554	0.1
135.04414	0.3
137.05984	0.5
145.02853	0.7
147.04401	4.1
149.05963	0.2
153.00839	0.1
153.01813	3.9
159.04411	0.7
163.03912	1.0
165.05475	2.3
165.09100	0.3
167.07042	4.6
167.08498	0.3
171.02864	0.6
171.04385	0.3
173.05951	0.2
177.05508	0.3
179.06998	0.1
189.05518	0.1
191.06996	0.5
199.03860	0.6
203.07019	0.4
217.04982	0.1
225.05426	0.5
229.04971	0.3
231.06459	2.2
243.06500	0.3
247.06038	0.2
253.05298	0.1
263.51947	0.1
267.10217	0.1
271.05984	100.0
272.06317	0.9
272.62476	0.1
287.05505	0.8
291.08493	0.2
313.07019	0.2
365.82596	0.1
511.92822	0.1
518.87744	0.1
579.15033	0.2
631.14301	0.2
663.16992	0.8
769.21271	0.9
787.22394	0.7
967.33838	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01867	0.3
67.05489	0.1
68.84276	0.0
68.99443	0.1
68.99813	0.3
69.03413	0.2
73.02960	0.1
77.03907	0.1
79.01864	0.1
79.05493	0.5
81.03407	0.3
81.07038	0.1
81.67179	0.1
82.22514	0.0
83.04977	0.1
85.02894	0.2
87.92088	0.0
91.05475	1.3
93.07043	0.2
95.01340	0.1
95.04955	0.5
97.02881	0.2
98.22707	0.2
99.04463	0.1
103.05463	0.6
105.03390	0.1
105.04508	0.1
105.07037	0.2
107.04948	2.0
107.05672	0.1
109.02875	0.3
109.06515	0.8
111.00868	0.1
111.04437	0.3
115.05437	0.2
117.07001	0.1
117.10914	0.1
117.35981	0.0
118.04134	0.1
119.04936	3.0
121.02856	0.9
121.06484	0.1
123.04411	0.2
125.02361	0.2
127.03907	0.2
128.06178	0.1
129.01825	0.1
129.07060	0.1
131.04927	0.5
133.02838	0.1
133.06488	0.2
133.10138	0.1
135.04430	0.3
135.08043	0.1
137.06000	0.3
139.03891	2.7
141.06926	0.1
145.02841	0.9
145.06450	0.2
147.04396	7.0
149.02298	0.1
149.05940	0.3
151.03906	0.4
151.07507	0.2
153.01813	4.0
153.05414	0.1
157.06506	0.1
159.04439	0.5
161.05952	0.1
161.09610	0.1
163.03894	1.0
163.07529	0.1
165.05481	1.3
165.06851	0.1
165.09077	0.1
167.07031	1.5
167.08455	0.1
169.06441	0.2
171.02869	0.8
171.04391	0.2
171.08080	0.1
173.05968	0.2
175.03835	0.3
175.07497	0.1
177.05453	0.3
178.07787	0.0
179.06912	0.2
179.08548	0.1
181.04973	0.1
181.06467	0.2
183.07991	0.1
184.07397	0.1
185.05975	0.1
187.03909	0.1
187.07646	0.1
189.05414	0.2
190.06215	0.1
191.07123	0.3
193.08514	0.1
195.06493	0.1
195.08125	0.1
197.05974	0.2
197.09610	0.1
199.03845	0.2
199.07518	0.2
201.05460	0.1
202.07794	0.1
203.07028	0.3
203.08621	0.1
207.06476	0.2
207.08089	0.2
209.06049	0.1
209.07994	0.5
210.06717	0.1
217.05002	0.1
219.08046	0.1
221.09587	0.1
223.07556	0.1
225.05415	0.5
225.09045	0.1
227.07043	0.5
229.04962	0.4
231.06352	1.0
231.10004	0.1
235.07449	0.1
243.06375	0.2
247.05989	0.2
249.07359	0.1
249.09431	0.1
251.07175	0.1
253.04852	0.1
253.08572	0.5
257.08081	0.1
267.10138	0.1
271.05978	100.0
272.06308	1.3
277.08548	0.3
283.05972	0.5
283.09369	0.1
287.05435	0.9
291.08447	0.4
295.06268	0.1
295.09705	0.4
305.08023	0.3
309.09650	0.5
313.06998	0.3
323.05774	0.1
323.09106	0.4
352.14468	0.1
354.87500	0.1
355.11560	0.3
367.11606	0.1
375.10812	0.1
393.11847	0.1
433.11102	0.4
441.15341	0.1
442.15884	0.1
463.02393	0.1
534.25043	0.1
579.14978	0.2
611.13733	0.1
663.16925	0.2
769.20880	0.5
787.22168	0.6
967.34308	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01854	0.2
67.05492	0.1
67.93947	0.0
68.99769	0.3
69.03423	0.1
70.06923	0.1
70.07259	0.1
77.03899	0.1
79.05478	0.4
81.03406	0.2
81.07036	0.2
85.02887	0.1
91.05477	1.0
93.06998	0.1
95.04956	0.3
97.02900	0.1
103.05448	0.2
105.03413	0.1
105.04502	0.1
105.06998	0.1
107.04948	0.9
109.02870	0.2
109.06517	1.2
111.08061	0.1
112.86592	0.1
115.05499	0.1
117.06991	0.1
119.04937	2.4
121.02871	0.7
121.06487	0.1
124.39707	0.1
125.02385	0.1
125.34293	0.1
127.03850	0.1
129.01848	0.2
131.04889	0.2
133.06496	0.1
134.27557	0.1
135.04395	0.2
137.05968	0.3
139.03867	0.2
141.06914	0.1
143.06934	0.1
145.02820	0.7
145.06500	0.1
147.04401	5.9
149.05995	0.2
151.03864	0.2
151.07477	0.1
152.94287	0.1
153.01819	3.7
155.04695	0.1
159.04420	0.2
161.05968	0.1
163.03900	0.6
165.05473	3.1
165.09096	0.1
167.07030	2.3
169.06451	0.1
171.02884	0.8
171.04399	0.2
173.05966	0.1
175.03745	0.1
175.07553	0.1
177.05443	0.2
181.04922	0.1
181.06429	0.1
184.07321	0.1
185.05960	0.1
187.03856	0.1
189.05437	0.1
191.07028	0.2
194.07278	0.1
197.06018	0.1
199.03885	0.4
199.07478	0.1
201.05487	0.1
203.07095	0.3
207.08080	0.1
209.06349	0.1
209.08089	0.2
215.07077	0.1
217.04961	0.2
223.07562	0.1
225.05450	0.4
227.07040	0.2
229.04968	0.3
231.06462	2.2
231.08646	0.1
235.07593	0.1
243.06502	0.3
247.06137	0.2
249.09163	0.1
251.07127	0.1
253.08424	0.1
267.10193	0.1
271.05984	100.0
272.06326	1.1
277.08456	0.2
283.06058	0.1
283.09616	0.1
287.05515	0.2
291.08548	0.2
295.09665	0.1
299.05359	0.1
305.08023	0.2
309.09839	0.2
313.07083	0.3
323.09064	0.3
337.10773	0.1
355.11823	0.2
355.28406	0.1
375.10767	0.1
393.11847	0.1
433.11301	0.3
579.15259	0.2
631.14056	0.1
643.18372	0.1
663.17145	0.7
769.21155	0.4
787.22205	0.7
967.35022	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	974.475
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	0.7
69.31379	0.4
69.31800	1.0
72.75111	0.2
79.05478	0.5
81.03417	2.4
81.07047	0.5
85.02896	0.9
89.03908	3.5
89.66396	0.2
90.21716	0.3
91.05489	0.3
95.04971	0.5
95.08604	0.3
97.02872	0.6
98.23453	0.5
99.04473	0.3
105.06990	0.3
107.04959	1.1
109.02859	1.0
117.03370	4.5
119.08566	0.6
127.03920	0.7
135.04419	9.9
142.32417	0.2
145.02849	8.9
145.10034	0.3
149.13251	0.3
159.11635	0.3
163.03897	100.0
164.04276	0.4
175.14771	0.3
181.03487	0.4
181.04961	5.6
186.05507	0.4
202.36821	0.2
205.15959	0.3
289.07169	0.5
307.08145	3.6
325.09180	16.2
379.29767	0.3
407.29651	1.4
425.30551	1.3
435.29077	0.8
453.29694	1.3
471.31012	0.5
487.14258	0.3
580.46362	0.2
605.64069	0.2
633.33862	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99767	0.5
69.03411	0.1
69.21901	0.1
70.06551	0.1
77.03896	0.1
79.05492	0.8
81.03363	0.3
81.07014	0.2
85.02859	0.2
89.03911	0.4
91.05480	0.9
93.07014	0.1
94.04161	0.1
95.04967	0.4
97.02849	0.1
103.05405	0.1
105.03313	0.1
105.04485	0.1
105.06983	0.1
107.04948	1.5
109.02860	0.4
109.06515	1.6
111.00787	0.1
111.04398	0.1
115.05449	0.1
117.03387	0.4
119.04935	2.1
121.02855	0.6
121.06480	0.1
123.04345	0.2
125.35218	0.1
127.03843	0.2
129.01791	0.1
131.04851	0.3
133.02753	0.2
135.04407	1.8
136.46675	0.1
137.02325	0.6
137.05971	0.5
137.09523	0.1
139.03847	0.2
139.07552	0.1
145.02826	0.9
147.04399	5.6
149.02315	0.2
149.05954	0.2
151.03856	0.2
153.01814	7.0
153.05341	0.1
157.06404	0.1
159.04361	0.3
161.02312	0.7
161.05911	0.1
163.03896	4.1
163.07552	0.2
165.05475	4.7
165.09087	0.1
167.07036	3.5
167.08484	0.2
171.02911	1.2
171.04385	0.3
173.05899	0.2
175.03677	0.1
175.07545	0.1
177.01802	0.1
177.05435	0.3
179.03380	0.3
181.04938	0.1
181.06378	0.1
183.04164	0.1
185.05942	0.1
187.03868	0.3
189.05418	0.2
191.07037	0.3
195.06459	0.1
197.05975	0.2
199.03831	0.4
201.05508	0.2
203.03293	0.1
203.06972	0.3
207.08176	0.1
209.08011	0.3
213.05371	0.1
215.03392	0.5
215.06995	0.1
217.04958	0.2
219.06465	0.2
223.07631	0.1
225.05367	0.4
227.06973	0.3
229.04950	0.3
231.06456	2.3
241.04938	0.6
241.08748	0.1
243.06490	0.3
245.04356	0.2
247.05963	0.9
251.07095	0.1
253.05136	0.1
253.08327	0.1
259.05823	0.1
263.05356	0.1
265.08640	0.1
267.10159	0.2
269.04398	0.4
269.07791	0.1
270.04855	0.1
271.05981	67.4
272.06241	0.6
277.08527	0.2
279.06638	0.1
283.09677	0.3
286.04681	0.1
287.05475	100.0
288.05731	0.8
291.08511	0.2
293.08051	0.1
295.05951	0.1
299.05856	0.1
299.09204	0.1
305.07892	0.2
309.09711	0.1
313.03171	0.1
313.07059	0.3
323.09244	0.3
325.09128	0.1
329.06479	0.2
339.08585	0.2
355.11612	0.1
371.11328	0.1
391.08493	0.1
393.11533	0.1
433.11050	0.3
449.11133	0.1
595.14899	0.3
647.13556	0.2
669.45514	0.1
679.16516	1.2
785.20758	0.7
803.21625	1.3
881.06085	0.1
983.35602	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	983.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99778	0.5
69.03392	0.2
69.21179	0.4
77.03901	0.1
79.05485	0.5
81.03432	0.6
81.07042	0.2
83.04960	0.2
84.20690	0.1
85.02847	0.3
88.80066	0.1
89.03869	0.2
89.39526	0.1
91.05470	1.5
93.06975	0.1
95.04977	0.4
95.08591	0.1
96.81782	0.1
97.02844	0.2
103.05457	0.6
105.07012	0.2
107.04955	1.9
107.08516	0.1
109.02798	0.3
109.06516	1.0
111.04423	0.3
115.05437	0.2
117.03351	0.3
119.04938	2.3
119.08478	0.1
121.02871	0.5
121.06478	0.3
123.04378	0.3
125.02269	0.1
125.05984	0.1
127.03931	0.1
129.01790	0.2
129.06880	0.1
131.04927	0.5
135.04419	1.5
137.02354	0.8
137.05989	0.5
139.02895	0.2
139.03897	2.9
141.06990	0.1
145.02815	0.3
147.04402	6.8
149.05911	0.3
151.03853	0.1
151.07501	0.2
153.01819	5.7
155.04846	0.1
159.04410	0.7
161.02324	0.6
161.05936	0.2
163.03903	1.9
165.05481	1.8
165.09088	0.3
167.07034	1.9
171.02832	1.0
171.04385	0.3
171.08003	0.2
173.05946	0.2
175.03853	0.2
177.05502	0.5
179.03360	0.4
179.06989	0.2
179.08482	0.1
181.04921	0.2
183.04352	0.1
185.05971	0.1
187.03835	0.1
189.05438	0.2
189.87589	0.1
191.03273	0.1
191.06978	0.3
197.05984	0.2
199.03900	0.2
199.07503	0.3
201.05501	0.2
203.03326	0.1
203.06970	0.2
203.08591	0.1
207.06415	0.2
207.08138	0.2
209.08035	0.7
210.06660	0.1
213.05481	0.2
217.04883	0.2
219.06537	0.2
221.09592	0.1
223.07605	0.1
225.05411	0.2
225.09068	0.1
227.06905	0.5
231.06381	1.2
241.04944	0.6
245.04346	0.3
247.06084	0.3
249.09341	0.2
253.08578	0.5
255.06265	0.1
257.08069	0.1
259.05972	0.2
263.05481	0.1
267.10178	0.2
269.04358	0.5
271.05994	27.1
272.06299	0.3
277.08481	0.3
283.06000	0.2
283.09494	0.2
286.04636	0.1
287.05481	100.0
288.05728	0.8
291.08414	0.4
295.09628	0.4
299.05493	0.6
305.07962	0.2
309.09619	0.5
313.07260	0.1
323.09091	0.4
329.06638	0.3
339.08453	0.1
355.11847	0.2
399.14117	0.1
433.10876	0.1
449.10901	0.3
595.14331	0.1
679.16443	0.4
785.20844	0.8
803.21753	1.0
810.37708	0.1
953.29565	0.1
983.34723	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	986.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	6.0
69.07062	5.4
69.18641	2.8
71.04980	3.6
79.05485	10.8
81.03411	26.1
81.07053	13.2
83.04987	1.8
83.08624	0.6
85.02898	3.5
85.06536	3.2
86.09719	0.5
91.05470	7.5
93.07038	19.2
95.04976	6.6
95.08598	6.3
97.02883	3.5
97.06522	7.0
99.04451	8.3
101.05975	0.6
102.81445	0.5
103.05454	1.3
105.04507	0.8
105.07024	18.3
107.04943	12.2
107.08586	28.9
108.04483	1.6
109.02865	19.5
109.06505	7.9
109.10136	1.5
111.04429	1.2
111.08073	4.4
113.05977	2.9
115.05441	5.6
117.07013	17.2
119.08565	5.7
121.06503	8.4
121.10138	17.0
121.57908	0.5
123.04434	3.3
123.08082	4.3
124.05194	1.5
125.02346	1.0
125.06020	2.3
127.03912	13.7
127.05368	1.2
127.07556	1.8
128.06189	1.6
129.06985	3.2
130.07758	1.1
131.04948	1.5
131.08553	5.0
133.06505	2.8
133.10139	1.5
135.04401	1.3
135.08061	3.7
135.11681	7.4
137.05992	1.7
137.09644	1.1
139.07504	2.0
139.11191	1.8
141.06969	1.6
143.07076	0.8
143.08595	1.0
144.05681	2.9
145.06476	37.0
145.10110	17.4
147.04398	1.1
147.08041	2.4
147.11690	2.1
149.05969	2.1
149.09604	7.5
151.07526	5.5
152.04680	1.2
153.05464	1.1
155.04880	0.8
155.05991	6.3
155.06917	0.7
155.08444	0.7
156.05685	6.7
157.06497	1.6
157.08670	0.7
158.07303	0.7
159.08054	7.0
161.05971	5.2
161.09625	1.4
162.97083	0.6
163.03880	2.1
163.11168	46.8
164.11624	0.7
165.09096	0.7
167.07030	44.6
167.10670	13.2
169.08597	45.5
172.05272	1.0
173.05975	74.1
173.09518	4.4
174.06490	1.1
175.07510	2.5
177.05405	1.5
177.09082	0.9
181.05000	1.2
181.08626	1.2
181.12195	11.6
184.05173	2.3
184.07149	0.6
185.05849	0.7
185.11736	2.4
187.07527	7.1
189.05490	0.6
189.09036	0.8
190.06233	43.4
191.06987	2.5
191.10643	19.4
193.08453	2.8
195.06444	0.7
201.09184	0.6
202.06241	4.0
203.06973	6.4
203.10663	0.9
204.07784	1.1
205.08585	100.0
207.06525	1.6
207.10252	1.0
209.11705	29.8
210.06763	0.8
211.07501	0.8
215.06932	1.1
217.08575	48.4
218.09299	0.7
219.08020	1.6
219.10170	4.7
223.09486	3.2
227.12750	65.2
231.07982	1.5
233.09587	1.3
235.09604	31.5
245.09697	0.7
245.13785	1.9
247.07443	1.4
247.09674	7.6
248.08331	1.9
253.12263	0.8
254.05801	0.7
255.12256	1.8
262.09680	0.6
263.10623	2.0
264.07590	1.1
265.10709	62.8
268.10925	0.6
269.08011	2.3
269.11124	0.7
269.13815	3.7
271.06055	1.9
271.09665	2.4
271.13275	1.8
272.06351	1.3
276.07739	1.6
277.08325	1.0
277.11032	0.6
279.10083	1.4
282.08728	0.7
285.07199	0.7
287.05524	1.6
288.05667	0.9
289.14310	6.5
290.09381	1.3
291.10083	2.4
293.08063	1.7
293.13824	1.1
299.09268	1.2
299.12585	0.9
301.07291	0.8
305.08054	0.9
307.09641	1.7
307.15311	1.5
308.10272	0.9
315.08643	7.5
317.13757	3.3
319.09601	1.6
323.12689	1.8
325.10291	0.8
330.10989	10.2
331.11685	3.6
335.14886	8.5
336.09525	0.9
337.10672	1.1
339.12100	1.6
343.11566	1.9
351.12347	2.7
352.12799	1.0
353.15918	53.5
368.12411	1.1
369.13232	1.6
371.17157	13.4
383.14902	13.3
389.12732	0.6
389.18030	3.8
401.15930	26.2
458.91394	0.5
652.37610	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5181
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06725	0.7
69.07066	9.6
71.08633	2.4
71.11076	0.6
73.91067	0.4
79.05460	1.2
80.77478	0.4
81.07053	2.5
83.08616	10.8
85.10156	1.0
93.07027	1.7
95.08591	2.8
97.06509	1.2
97.10159	7.8
107.08570	1.4
109.10140	0.6
111.08094	0.5
111.11708	2.1
115.03658	1.7
120.96619	1.0
121.10128	0.9
135.11690	1.1
137.13240	0.5
149.13228	0.7
176.99213	5.0
177.16196	0.4
195.00290	100.0
213.00008	0.6
232.62166	0.5
236.94116	0.9
252.91928	0.5
254.95189	1.2
259.95911	0.5
270.11661	0.4
292.96771	1.0
310.97614	0.5
311.25800	12.3
487.24408	1.0
505.25354	86.8
506.25800	0.8
585.20972	0.7
729.39490	0.5
877.61877	0.6
987.53461	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.397
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	3.1
71.45369	0.4
73.02934	0.4
75.04490	0.6
77.03934	0.9
78.04719	2.1
79.05498	3.2
81.03421	3.3
81.07079	0.9
82.04195	0.5
83.10683	0.3
85.02907	4.6
89.03899	0.6
91.05486	8.7
93.03406	1.1
93.07056	1.1
94.04192	1.1
95.04975	4.6
97.02901	2.0
97.06556	0.5
99.04482	0.6
102.04700	0.7
103.05470	8.0
105.03416	0.8
105.04527	0.8
105.07038	3.4
106.04190	1.6
107.04961	6.3
109.02906	0.9
109.06532	1.0
110.03663	1.9
111.04442	1.4
115.03893	0.4
115.05462	6.2
117.03338	0.5
117.07028	7.0
118.04191	1.2
119.04945	7.3
119.08607	0.4
120.05725	1.2
121.02792	0.6
121.06508	2.5
122.03657	1.7
123.00774	0.4
123.04431	6.5
124.05247	2.5
125.05994	2.8
127.03921	0.7
127.05438	0.9
128.06216	0.7
129.07018	1.8
130.04143	0.5
131.04936	11.2
131.08589	0.8
132.05702	1.4
133.02855	8.1
133.06482	4.5
134.03629	0.9
135.04448	1.9
135.08073	0.6
136.05144	0.6
137.02379	0.5
137.05977	23.4
138.03093	1.1
139.03932	0.5
139.07564	0.4
141.07011	0.7
142.02588	0.6
143.04958	1.7
143.05983	0.5
144.05702	1.4
145.02780	0.4
145.05304	0.8
145.06485	13.4
146.03642	0.8
147.04402	8.9
147.08012	2.3
148.05199	3.7
149.05977	4.0
149.09692	0.5
151.03896	3.9
151.07542	5.5
152.04674	1.9
153.05478	5.5
154.06248	0.4
155.04886	0.7
155.06003	4.7
155.07053	0.5
156.05678	0.5
157.06474	1.1
158.07364	0.5
159.04372	0.9
159.08028	1.6
160.05205	2.2
161.05995	6.8
162.06703	0.7
163.03897	2.3
163.07547	11.3
164.04649	0.4
165.05490	3.7
165.06841	0.7
165.09106	0.7
166.06242	0.6
167.07040	100.0
168.07367	1.0
169.06448	0.8
171.04411	0.7
171.06546	3.4
172.05222	0.7
173.05986	20.5
174.06750	1.2
175.03966	0.7
175.07539	5.6
176.04720	0.8
176.08257	0.4
177.05481	3.3
177.09096	1.5
179.03522	0.5
179.07050	11.4
179.08614	0.7
180.07751	0.5
181.04956	66.4
182.05440	0.6
183.06512	0.5
185.05991	1.1
186.06773	0.6
187.07550	2.6
188.04779	0.9
188.08257	0.9
189.05476	1.2
189.09093	1.4
190.06210	2.4
191.07031	31.0
192.07816	0.9
193.04919	0.7
193.08603	2.0
194.07295	0.5
195.06508	2.0
195.07968	0.7
197.06015	0.8
197.08107	0.5
198.06720	0.7
201.05298	1.7
202.06210	0.5
203.07033	7.4
204.07721	0.4
205.04900	0.4
205.06720	0.6
205.08591	11.2
207.06537	2.9
207.08253	0.6
207.10176	1.4
209.08006	2.0
211.07591	0.4
213.09137	0.5
215.07027	1.3
216.07813	0.4
217.08592	4.2
219.06506	1.3
219.08192	1.0
219.09940	2.6
220.07178	1.1
221.08086	1.3
222.06738	0.6
223.07481	1.5
224.08209	0.4
225.09183	0.7
227.07065	0.6
229.08540	1.3
231.06480	1.3
233.05949	0.9
233.08063	7.2
233.10214	0.6
234.06680	0.6
234.08727	0.4
235.07547	1.0
235.09637	7.6
236.08237	0.8
237.09093	1.3
239.07129	0.5
240.07980	0.4
241.08493	1.2
245.08080	0.9
247.07495	0.8
247.09784	1.7
248.08244	0.4
249.09111	0.6
250.06082	0.6
251.06929	0.7
253.08676	0.8
255.10150	1.1
259.09698	1.1
261.09131	0.5
262.06393	0.5
263.09167	13.5
264.07797	0.8
265.08502	1.6
265.11090	1.8
267.06668	0.4
267.10123	1.7
269.08105	0.8
269.11664	0.5
270.08539	0.4
271.05908	0.4
271.09619	0.7
273.11252	0.6
275.09238	0.7
277.08496	1.3
279.06516	0.5
279.10205	0.5
280.07245	0.5
282.08859	0.6
283.09473	0.8
285.11172	0.7
287.05438	1.8
287.12885	0.5
288.05923	1.0
289.08682	0.5
291.10059	0.6
292.07358	0.7
293.07895	1.1
294.08972	0.7
295.09613	0.9
297.11221	3.7
299.09213	1.0
299.12680	0.5
306.08652	0.5
307.09561	1.1
309.07721	0.4
309.11304	2.8
310.08206	1.0
311.08981	0.7
311.12631	0.6
313.10641	0.9
315.08966	0.5
315.12424	1.0
321.07697	0.6
321.11246	1.0
322.08133	0.6
323.08978	0.4
323.12659	0.4
325.10638	2.8
326.11368	1.1
327.12164	3.5
329.10098	2.0
329.13852	0.9
331.11829	0.7
337.10660	1.0
339.12317	2.0
341.13861	0.5
343.11655	0.6
349.09927	0.4
351.12317	0.7
353.10107	1.0
353.13965	0.6
354.10974	0.5
355.11710	1.3
357.13336	8.0
359.15005	0.6
365.13583	0.5
367.11713	1.0
368.12759	0.5
369.13312	1.7
371.14722	0.7
372.12018	0.4
381.13275	0.9
383.14969	0.8
385.12814	13.5
386.13144	0.9
387.14340	3.4
397.12671	1.0
399.14346	3.1
401.15820	0.6
403.14023	0.6
415.13644	2.1
416.14630	4.5
417.15427	34.0
459.15967	0.6
471.16321	0.9
489.16827	0.5
535.19049	0.6
547.19275	1.3
549.19800	3.1
565.20709	28.9
566.20789	0.5
577.20465	4.1
579.21735	0.7
595.21558	3.1
613.22772	16.2
613.32727	0.9
715.27057	0.8
727.25977	1.7
775.28046	33.3
776.27789	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99788	0.5
69.03437	2.1
70.03329	0.3
71.32922	0.3
75.04440	0.3
76.39952	0.3
77.03932	0.8
78.04690	2.3
79.05486	3.0
81.03412	3.3
81.07069	0.5
82.04210	0.8
83.04952	0.4
85.02894	4.2
89.03908	0.8
91.05475	7.8
93.03391	1.4
93.07060	0.7
94.04202	0.9
95.04966	4.1
96.32545	0.3
97.02897	1.6
97.06529	0.8
97.31833	0.4
99.04467	0.6
102.04695	0.5
103.05463	9.4
103.06108	0.7
105.03394	1.0
105.04512	1.0
105.07036	3.2
106.04168	1.5
107.04946	6.9
109.02868	0.7
109.06491	0.9
110.03642	2.2
111.04427	1.3
115.05450	5.9
117.03363	0.5
117.07008	7.9
118.04171	1.3
119.04939	6.7
119.08607	0.5
120.05732	1.0
121.06509	2.6
122.03635	1.6
123.04421	6.5
124.05223	2.9
125.05993	2.6
127.03884	0.8
127.05404	0.8
128.06209	1.1
129.07042	1.3
130.04115	0.9
131.04919	13.0
131.08530	0.6
132.05685	1.4
133.02838	8.2
133.06493	3.5
134.03577	0.8
135.04395	1.2
135.08035	0.8
137.05969	19.2
138.03120	0.9
139.03960	0.4
139.07549	0.6
141.06956	0.7
142.02600	0.4
143.04945	1.8
144.05701	1.4
145.06480	12.1
146.03598	0.9
147.04399	8.1
147.08012	1.6
148.05180	3.6
149.05968	3.9
151.03885	3.6
151.04929	0.6
151.07535	5.9
152.04660	1.9
153.05460	6.5
155.04892	0.7
155.06023	4.3
155.07071	0.6
157.06467	1.3
158.07248	0.8
159.04424	1.0
159.07977	1.7
160.05209	2.1
161.05969	8.5
162.06761	0.8
163.03886	1.3
163.07541	11.8
164.04619	0.4
165.05475	4.5
165.09177	0.5
166.06152	0.5
167.07027	100.0
168.04190	0.4
168.07359	1.1
169.06482	0.4
171.04378	0.7
171.06558	2.4
172.05161	0.8
173.05975	19.7
174.06741	1.2
175.03806	0.6
175.07524	5.2
176.04680	1.4
176.08270	0.5
177.05486	3.5
177.06987	0.5
177.09114	1.3
178.06219	0.8
179.07030	13.1
179.08594	0.9
180.07652	0.5
181.04941	67.2
182.05325	0.5
183.06447	0.9
184.07285	0.6
185.05972	0.6
187.07492	2.5
188.04666	0.9
188.08347	0.6
189.05426	1.5
189.09100	1.2
190.06224	2.4
191.07014	32.4
192.07674	0.5
193.04919	0.5
193.06921	0.5
193.08563	2.0
195.06587	2.4
195.08025	0.6
197.06079	0.6
198.06729	0.7
199.07549	0.7
201.05386	1.8
201.09122	0.8
202.06247	0.6
203.07008	7.5
204.07787	0.6
205.06676	0.9
205.08574	9.3
207.06525	1.6
207.08208	0.7
207.10172	1.2
209.08075	1.3
211.07578	0.5
213.05565	0.4
214.06232	0.5
215.07001	1.0
216.07933	0.4
217.08563	3.6
218.07283	0.5
219.06519	1.3
219.09938	2.0
220.07245	1.0
221.06094	0.6
221.07938	1.7
222.06670	0.6
223.07475	1.8
225.07420	0.9
227.07071	0.9
229.08473	1.0
231.06552	1.1
233.05943	0.7
233.08041	7.0
234.06718	0.8
234.08815	0.4
235.07527	0.8
235.09625	6.9
236.08154	0.6
237.09140	1.1
239.07069	0.5
240.07809	0.6
241.08525	1.0
245.08063	1.2
247.07468	0.7
247.09669	1.4
249.08974	0.7
250.06110	0.5
251.06891	0.7
251.09099	0.5
252.07744	1.0
255.10156	1.6
257.08038	0.6
259.09683	0.7
263.09140	15.5
264.07690	0.9
265.08182	2.0
265.10941	2.6
267.07095	0.4
267.10092	2.2
269.07904	0.6
269.11801	0.5
271.09592	0.7
276.07526	0.5
277.08551	1.6
278.09363	0.5
279.06445	0.5
279.10043	0.7
280.07217	0.4
281.07846	0.6
283.09567	1.2
285.11188	0.5
287.05362	0.5
287.12772	0.8
291.10083	0.6
292.07327	0.7
293.08017	1.1
293.10721	0.4
294.08817	0.8
295.09589	1.2
297.11182	4.7
299.09280	0.6
299.12802	0.6
307.09464	0.8
309.07742	0.4
309.11127	2.3
310.08200	0.9
313.10587	0.5
315.08734	0.5
315.12180	1.1
321.11047	0.4
322.08328	0.6
323.12592	0.5
324.10092	0.5
325.10721	3.0
326.11591	0.6
327.12271	3.5
329.10168	2.5
329.13669	0.7
330.10846	0.6
331.11658	0.6
335.08926	0.5
337.10593	0.9
339.12366	1.8
341.09949	0.5
342.10764	0.5
351.12213	0.5
353.09958	0.6
355.11603	1.1
357.13263	7.7
359.14941	0.4
367.11646	1.2
369.13235	1.4
370.14243	0.8
371.14856	0.8
381.13385	0.9
383.14548	1.0
385.12775	11.2
387.14310	3.2
397.12860	0.5
399.14291	3.3
401.15714	1.1
403.13837	0.5
415.13763	1.4
416.14706	4.0
417.15411	40.2
443.16992	0.6
471.16403	1.2
489.17267	1.1
533.17596	0.9
534.65100	0.5
547.19055	1.3
565.20648	29.2
566.19946	0.5
577.20587	4.2
579.21289	0.6
595.21722	3.0
613.22754	14.6
715.27576	0.6
727.27313	1.8
745.28131	0.4
757.26868	0.5
775.27985	26.8
776.27905	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	3.1
70.06559	0.4
75.04484	0.5
76.07642	0.4
77.03912	0.9
78.04701	2.3
79.05486	4.4
81.03409	3.4
81.07006	0.5
82.04176	1.2
83.98688	0.4
85.02889	4.2
89.03902	0.7
91.05473	8.9
93.03377	1.7
93.07024	1.3
94.04192	0.5
95.04953	3.6
97.02870	1.9
97.06521	0.9
99.04454	0.6
103.05456	7.5
105.03402	1.0
105.04518	1.1
105.07019	3.5
106.04149	1.9
107.04942	6.7
109.02876	1.0
109.06494	1.0
110.03642	1.7
111.04428	1.7
115.05447	6.1
117.07018	7.7
118.04129	1.3
119.04932	6.4
119.08553	0.7
120.05710	1.0
121.02847	1.2
121.06512	2.7
122.03635	1.5
123.04419	6.5
124.05231	2.1
125.05959	3.3
127.03897	1.3
127.19058	0.4
129.06978	1.0
131.04918	13.0
132.05699	1.1
133.01895	0.7
133.02834	7.8
133.06483	3.9
134.03635	0.9
135.04402	1.9
135.08026	1.0
136.05177	0.6
137.05968	19.9
137.09578	0.5
138.03079	0.8
139.03928	0.9
139.07471	0.6
141.06967	0.6
143.04904	2.0
144.05692	1.0
145.06462	12.6
145.07574	0.9
146.03648	0.7
146.07246	0.6
147.04384	9.4
147.08018	1.7
148.05162	4.6
149.05971	3.6
151.03911	4.2
151.07533	4.9
152.04648	1.7
153.01784	0.5
153.05461	4.5
153.06773	0.6
154.06226	0.6
154.09879	0.4
155.06004	4.1
155.07028	0.5
157.06464	1.0
159.04405	1.0
159.08064	1.4
160.05190	2.0
161.05971	7.3
162.06721	0.9
163.03918	1.7
163.07532	11.7
165.05478	3.7
165.06810	0.7
165.09109	0.9
167.07025	100.0
168.07315	0.7
171.04306	0.5
171.06546	3.4
173.05969	19.8
174.06773	1.0
175.07536	5.3
176.04652	1.2
177.05446	4.2
177.08984	0.6
178.06178	0.5
179.07036	12.0
179.08597	0.8
181.04941	66.9
182.05183	0.6
183.08003	0.5
185.06000	0.5
186.06647	0.6
187.07520	3.0
188.04651	0.7
188.08240	1.0
189.05437	1.3
189.09070	2.0
190.06226	2.4
191.07014	32.7
192.07599	0.6
193.08578	1.6
194.07280	0.4
195.06517	2.2
195.08069	0.9
197.08052	0.6
198.06750	0.7
199.07578	1.2
201.05453	1.7
202.06183	0.7
203.07031	7.0
204.07800	0.6
205.08574	9.5
205.10434	0.8
207.06520	1.8
207.08267	0.7
207.10162	1.1
209.08072	1.9
211.07489	0.6
212.08276	0.5
213.05429	0.7
213.09026	0.7
215.07014	1.0
217.08565	3.5
219.06471	1.5
219.08215	0.9
219.10043	3.0
220.07281	1.1
221.08110	1.8
223.07590	1.2
225.07425	0.7
227.06982	0.6
229.08577	1.0
231.06400	1.0
233.05917	0.7
233.08060	7.6
234.06767	1.0
234.08871	0.6
235.07492	1.1
235.09615	7.7
236.08188	0.6
237.09123	0.9
239.07045	0.6
241.08519	1.2
245.08017	1.1
247.07425	1.0
247.09702	1.1
249.09195	0.7
250.06171	0.9
251.06902	0.7
253.08582	0.9
254.09308	0.5
255.10172	1.6
257.08206	0.6
259.09613	1.2
261.09091	0.6
263.09152	15.3
264.07758	0.5
265.08484	1.6
265.10962	2.3
267.10147	1.7
269.08044	0.9
271.09631	0.9
277.08414	1.0
279.06473	0.6
279.10065	1.2
282.09003	0.6
283.09650	0.9
287.05392	1.1
287.12643	0.7
293.07779	0.9
293.10654	0.6
294.08463	0.5
295.09561	0.7
297.11194	4.6
299.09140	0.9
299.12631	0.9
307.09500	0.8
309.11301	2.5
310.08295	0.7
311.12848	0.6
313.10776	0.9
315.12198	1.1
321.11240	0.9
323.12567	0.6
325.10623	2.1
327.08810	0.8
327.12131	3.4
329.10245	2.8
329.13702	0.7
331.11755	0.7
335.12891	0.5
337.10730	1.3
338.11703	0.6
339.12231	1.7
343.11618	0.5
353.10059	0.9
355.11615	1.1
357.13336	7.3
359.14676	0.8
365.13889	0.6
367.11670	1.4
369.13174	2.1
370.14270	0.7
371.14865	1.0
381.13300	1.4
383.14969	0.7
385.12747	12.9
386.13724	0.6
387.14404	2.8
399.14362	3.7
401.15881	1.8
415.13821	1.5
416.14624	3.4
417.15399	41.8
418.16095	0.5
471.16656	1.5
489.17184	0.8
515.17426	0.5
533.17413	0.5
547.19507	1.3
565.20654	28.6
577.20361	3.8
579.22174	1.3
595.21497	3.4
613.22699	15.2
641.95392	0.5
715.27075	1.0
727.26099	1.2
750.17322	0.5
775.27985	29.8
776.27594	0.6
829.36896	0.5
944.75214	0.4
990.30054	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5492
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07059	3.0
69.74960	1.5
71.08626	11.3
73.31787	0.6
79.05440	0.7
80.36424	0.7
81.07052	6.1
83.08618	3.1
85.10178	6.2
89.05998	1.4
93.68119	0.6
95.08597	8.3
97.10152	1.9
103.07548	1.0
109.10157	3.8
115.03667	1.8
120.96596	0.9
123.11674	1.6
133.45885	0.7
176.99225	4.4
195.00290	100.0
196.00481	0.8
213.00087	0.9
236.02907	0.7
236.94073	0.9
254.95163	1.1
257.24716	1.5
269.03824	1.1
313.27344	17.8
489.25748	1.6
506.25504	1.2
507.26929	95.3
508.27316	1.7
587.21967	1.4
784.25317	0.9
991.55157	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	991.5568
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	2.4
69.07080	2.1
70.61225	0.9
71.05028	0.5
71.08636	6.0
73.02922	2.2
79.05508	2.2
81.03439	1.4
81.07050	5.0
81.07424	0.5
82.69113	0.5
83.08639	2.5
85.02927	3.8
85.10182	3.5
91.03960	1.5
91.05480	2.3
93.07005	2.4
95.08601	5.9
97.02895	4.1
97.10191	1.6
101.02394	1.5
103.07617	0.7
105.04530	0.7
105.07059	1.9
107.08633	0.9
109.10194	2.4
115.03745	1.6
117.07032	0.8
119.08602	1.2
121.10146	0.9
123.11729	0.7
124.30871	0.5
127.03939	1.6
133.10146	1.2
147.11676	0.7
149.13316	0.6
163.23119	0.5
176.99225	2.3
185.04286	1.1
195.00293	50.5
201.03694	1.2
202.24742	0.5
203.05322	0.7
213.00031	0.6
230.40556	0.5
236.94295	0.6
243.08513	2.2
257.24817	0.8
301.08914	1.2
313.27393	10.7
317.20975	0.6
347.09509	3.8
363.09103	1.5
365.10931	1.1
397.18375	0.6
405.13553	6.0
463.14566	1.9
465.21207	0.9
477.16052	0.9
505.25473	0.9
506.26138	0.8
507.26932	42.4
535.28864	7.1
627.26746	1.4
687.28857	0.8
697.33905	9.0
698.83362	0.6
769.36218	1.4
829.51312	0.8
853.45215	0.6
877.37775	0.5
991.56000	100.0
992.56158	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	1005.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71570	1.5
71.01374	0.8
77.04024	0.7
81.42884	0.5
93.03465	5.7
95.01426	0.6
101.02462	0.7
105.03477	0.6
108.02166	1.1
109.02959	2.0
111.00885	0.7
112.85403	0.5
121.02973	7.4
122.03738	16.9
123.00900	1.4
123.04520	2.0
124.01677	1.5
132.02130	1.4
133.02965	2.6
134.03752	2.6
135.04532	2.1
136.01672	7.2
137.02441	6.8
138.03242	1.9
139.00368	0.6
145.02954	1.5
145.15332	0.6
146.03778	1.7
147.04526	1.1
149.02435	28.7
149.06085	2.3
150.03226	100.0
151.00375	3.9
151.04024	12.6
152.01164	1.2
152.04791	2.3
153.01909	0.9
153.05624	0.7
161.02435	2.5
161.06093	1.4
162.03206	2.3
163.03993	1.1
164.04811	6.1
165.01924	1.9
165.05563	82.9
166.02710	10.6
167.03468	1.7
175.03954	3.5
177.01964	1.1
177.05573	4.4
178.02734	0.8
179.03506	2.4
179.07169	5.8
180.04271	5.8
181.05054	14.7
187.04021	1.1
188.04732	0.6
190.02650	0.6
190.06273	0.8
191.03651	1.0
191.05620	1.6
193.05083	1.4
194.05820	0.9
195.06621	51.0
204.06693	1.2
205.05049	3.0
205.06754	0.6
206.05905	0.7
207.06607	1.2
210.05202	0.6
219.06607	1.8
220.07378	1.8
225.07472	0.8
232.83337	0.5
254.05933	0.6
267.06824	0.7
269.04498	1.3
270.08972	0.8
285.03979	2.0
297.07538	0.9
298.08481	0.7
298.25873	0.6
313.10648	2.0
315.08786	0.8
329.10083	1.1
333.75641	0.6
339.08575	0.7
343.08032	1.1
343.11853	11.5
358.10233	0.6
369.13745	0.8
373.12888	6.8
385.13144	0.6
387.10239	1.3
387.14450	2.4
391.14044	4.7
402.13049	1.5
403.13699	1.1
417.10513	0.9
417.15570	12.8
421.15222	0.7
535.17633	1.1
550.17767	0.9
551.18555	1.0
564.19159	0.6
565.20746	26.4
577.20746	0.9
583.21509	1.3
595.12866	0.8
595.21802	13.0
613.23132	9.7
616.20197	0.7
667.23364	0.8
713.25903	5.8
721.01105	0.6
743.27112	5.4
761.28217	6.3
773.27313	2.2
791.29218	3.0
809.30957	3.3
815.28693	0.7
886.92059	0.7
904.59991	0.6
909.32898	1.6
939.34125	2.7
957.34174	1.6
969.35315	1.2
1005.35217	1.3
1013.40967	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01398	1.1
82.43626	0.6
84.29356	0.6
93.03452	5.0
99.65941	0.6
101.02435	0.8
102.89197	0.6
105.03458	0.8
108.02232	1.1
109.02933	1.7
121.02937	5.7
122.03748	14.9
123.00887	0.7
123.04525	2.0
123.79420	0.6
132.02187	0.7
133.02946	2.1
134.03740	2.0
135.04524	2.5
136.01663	5.7
137.02455	5.1
138.03189	0.7
140.93739	0.7
145.02943	1.1
146.03706	1.8
147.04515	1.2
149.02446	25.0
150.03226	100.0
151.00374	4.6
151.04021	6.4
152.01091	0.7
152.04820	1.7
153.05533	1.0
155.03561	0.8
161.02452	3.0
161.06047	0.7
162.03175	1.9
163.03943	0.9
164.04781	5.7
165.01909	1.8
165.05566	86.5
166.02731	9.8
166.05879	0.8
167.03522	1.8
173.04591	0.9
175.03999	2.3
177.01933	0.7
177.05597	2.9
179.03499	2.2
179.07153	5.3
180.04314	7.1
181.05078	15.2
187.03984	1.2
190.06255	0.7
191.03487	1.0
191.05568	1.7
191.30983	0.6
193.05028	0.7
194.05710	0.9
195.06619	55.6
202.06381	0.6
205.05048	2.3
206.05936	0.7
207.06703	1.1
211.42195	0.6
219.06564	1.6
219.53096	0.8
220.07335	1.2
225.07820	1.1
259.46365	0.6
269.04510	2.4
269.07996	0.7
270.04962	0.6
285.04071	0.9
298.08365	0.7
299.09116	0.7
299.59091	0.6
313.10678	2.7
328.09335	1.2
329.10138	0.8
343.11813	13.1
373.12808	6.0
387.10220	1.4
387.14413	2.6
391.13943	4.6
402.12775	1.4
403.13913	2.2
417.15582	12.1
550.18695	0.7
565.20813	15.0
569.19922	0.7
583.21625	0.7
595.21875	8.3
613.22784	10.0
667.22815	0.7
713.25763	0.8
743.25781	0.9
761.28497	5.2
773.27063	1.0
791.28595	2.7
808.27942	0.8
809.29919	4.2
863.30035	1.3
909.34119	2.8
939.34546	5.2
957.35474	2.7
969.35126	1.1
987.35663	1.8
1005.37323	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	1005.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	30.9
73.02949	6.7
81.03455	1.0
83.01379	2.9
85.02953	8.9
87.00871	2.3
87.04510	0.7
88.58501	0.5
89.02447	21.5
89.03008	1.1
93.80311	0.5
95.01381	1.7
97.02959	3.0
99.00877	2.8
101.02448	26.1
104.86758	0.5
111.00871	1.4
113.02450	13.2
119.03497	10.5
125.02446	10.4
131.03505	3.1
139.03969	0.7
143.03520	4.6
149.04491	0.9
159.02939	1.2
161.04567	10.3
179.05618	11.0
183.13895	3.6
193.12331	1.2
211.13399	42.9
213.63966	0.5
221.06659	7.2
228.89713	0.5
233.06596	1.0
245.06561	3.0
263.07706	5.2
299.69958	0.5
323.09839	26.9
362.54517	0.5
392.27335	1.2
407.29376	1.0
469.29556	1.8
631.34869	7.6
775.38684	0.8
793.40149	100.0
794.40631	1.4
837.39386	1.0
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	(S)-Methylmalonate semialdehyde
Peak:m/z	Relative Intensity
55.01877	25.0
57.03445	100.0
58.00586	5.0
59.01376	48.5
64.96129	2.0
68.99812	5.3
69.83995	5.9
71.01382	14.3
73.02949	88.3
83.01381	5.3
93.20554	2.1
99.92584	4.2
100.92757	2.4
100.93355	10.9
100.94624	11.6
101.02440	76.3
101.06104	2.5
102.02766	2.9
102.05619	4.1
113.13718	2.7
115.92078	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	1021.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
71.46217	0.2
72.00923	0.4
83.01394	0.4
89.02454	0.8
92.05066	0.3
100.04049	0.7
101.02442	0.6
102.57719	0.2
107.01380	1.2
109.02968	0.5
113.02439	0.2
116.05064	1.2
119.03497	0.3
121.02956	0.5
122.02502	0.4
124.04018	0.2
127.04011	0.5
132.02145	0.2
133.02954	2.6
134.03731	0.7
134.18593	0.2
135.04532	0.5
137.02354	0.2
142.06642	2.1
147.04488	0.3
148.01645	0.2
148.04036	0.5
149.02441	0.8
149.99603	0.3
151.00381	3.5
156.06870	0.2
156.08151	0.5
161.06061	0.2
167.06105	1.1
168.08136	0.3
169.07700	1.4
171.04498	0.3
173.04497	0.4
174.05594	0.3
175.03981	1.3
179.05562	0.2
183.04529	0.3
183.09148	0.3
185.10826	1.2
187.03963	0.3
188.04672	0.3
191.05647	0.6
199.04015	1.4
200.04758	0.2
201.01938	0.3
210.98538	0.2
211.03879	0.4
213.05531	0.3
217.05067	0.9
227.03410	1.1
228.04282	0.4
229.09868	1.0
239.03459	0.3
241.05086	0.5
243.02975	0.3
255.03032	0.6
256.03799	2.6
257.04639	0.2
265.09818	0.4
283.02490	0.5
284.03265	48.2
285.04041	96.9
286.04376	1.6
287.05380	0.6
297.04007	0.3
299.05219	0.2
299.11642	0.3
312.20688	0.2
317.13040	1.3
327.05069	1.1
331.14542	0.5
347.14551	0.2
361.11966	1.3
375.13437	0.3
393.14569	15.3
394.14902	0.3
447.09314	100.0
448.09671	1.6
449.10312	0.5
458.11310	0.3
459.11990	0.2
508.53064	0.2
541.18103	0.3
573.20782	3.9
574.21008	0.2
663.45618	0.2
904.45459	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	1.2
71.44892	0.3
72.51404	0.4
83.05042	0.4
85.02956	5.2
87.00882	1.2
89.02444	0.7
93.03448	3.3
101.02465	0.5
105.03442	0.8
107.05034	1.1
109.02944	0.6
111.04536	1.8
116.23053	0.4
127.03981	1.1
133.02960	6.0
134.03818	3.2
135.04526	45.0
136.04887	0.6
137.02406	0.4
155.03470	1.8
161.02443	5.5
173.04547	5.7
174.04782	0.4
177.01913	2.2
178.67456	0.4
179.03497	47.2
180.03825	0.6
186.54744	0.3
191.05612	89.1
192.05942	0.5
202.11845	0.4
215.05634	0.4
219.94095	0.4
335.07788	1.1
351.07101	3.2
352.07373	1.9
353.08771	100.0
354.09042	1.6
379.67099	0.4
514.11145	0.6
515.11896	11.7
1039.38184	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1032.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00906	3.9
72.79056	0.2
73.02924	0.3
74.02483	0.7
83.01384	0.4
85.02954	1.4
89.02444	5.4
92.05064	3.3
93.03460	0.4
94.02982	1.0
95.01378	0.4
95.05015	0.8
98.21955	0.3
100.04047	4.9
101.02443	4.5
112.04086	0.6
113.02438	2.6
116.05066	11.9
119.03491	1.6
119.04968	0.4
120.04530	0.4
121.02959	0.9
121.06561	0.3
122.02484	3.1
123.04506	0.5
124.04041	1.3
127.04003	3.0
130.06610	0.8
135.04527	0.7
136.02802	0.3
142.06616	16.5
143.03496	0.3
144.04549	0.3
144.08215	0.6
147.04515	1.4
148.04062	4.1
149.06065	0.8
153.05832	0.4
155.07390	0.5
156.06912	1.7
156.08180	3.3
157.07695	0.8
158.09735	0.5
159.03310	0.3
160.04050	0.7
161.02518	0.5
161.04680	0.3
162.05615	1.0
165.03798	0.3
166.06596	0.9
167.06133	8.8
168.06808	0.4
168.08188	4.1
169.07709	12.6
174.05611	1.2
179.05565	0.8
179.07159	0.7
180.06891	0.6
181.07520	2.4
181.09116	0.4
182.02808	0.3
182.08478	0.6
183.09268	3.1
185.10844	9.9
191.05655	0.3
192.08212	0.3
193.07779	0.3
195.09331	0.7
201.53041	0.3
206.04610	0.4
213.06735	0.5
217.07736	0.5
219.09238	0.6
220.07500	0.4
221.07184	0.2
229.09798	5.7
230.09840	0.4
234.05936	0.4
235.08755	0.6
237.10399	0.5
245.10989	0.4
246.09108	0.4
247.08821	1.1
247.12457	0.4
253.09785	0.3
259.12320	0.3
260.07300	0.3
261.10461	0.3
265.09833	3.3
265.12778	0.4
271.12396	0.9
274.08868	0.4
278.04886	0.3
279.11407	1.6
287.11969	0.4
288.10345	0.3
289.10468	0.3
289.13336	1.4
290.11826	0.6
295.42404	0.3
299.11954	1.1
300.10474	0.5
301.87268	0.3
309.08820	1.1
315.11533	0.7
317.12964	7.9
331.14493	2.5
349.15552	0.7
361.11908	8.6
375.13431	1.4
391.78952	0.3
393.14554	100.0
394.14813	1.5
458.11264	2.1
541.18170	1.7
573.20880	30.8
574.21313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.387
Annotation	Unknow
Peak:m/z	Relative Intensity
77.02821	0.4
77.03986	0.6
85.02963	0.5
93.03455	5.7
95.01380	1.3
95.05048	0.8
107.05061	0.5
108.02182	1.7
109.02956	3.9
115.79901	0.5
121.02948	8.7
122.03735	20.1
123.00915	2.1
123.04549	1.9
124.01670	1.1
125.02474	0.7
127.75794	0.4
132.02243	0.8
133.02943	2.5
134.03761	1.9
135.04527	2.5
136.01668	9.5
137.02452	15.9
138.03198	2.4
139.03944	1.0
145.02956	1.3
146.03711	1.9
147.00868	0.4
147.04514	0.9
148.01703	1.3
149.02443	31.8
149.06076	2.0
150.03224	100.0
151.00380	9.0
151.04015	14.2
152.01160	1.7
152.04791	3.4
153.01924	1.1
153.05582	1.7
159.04521	0.6
161.02461	3.3
161.06044	1.2
162.03227	2.9
163.04031	1.8
164.01215	0.7
164.04791	8.9
165.01930	23.1
165.05565	81.9
166.02704	22.3
167.03497	3.1
168.04294	2.0
173.04538	0.4
175.03990	2.4
176.01094	0.9
176.04709	0.7
177.01907	2.3
177.05557	4.7
178.02660	0.9
179.03511	6.7
179.07083	6.0
180.02641	0.5
180.04277	17.3
181.05058	28.6
184.03700	0.8
187.04034	2.2
188.04710	0.5
189.01958	0.5
190.06363	1.3
191.03531	1.5
191.05417	0.9
192.04300	1.9
193.05017	2.9
194.05872	2.1
195.06613	62.8
202.06364	0.8
203.03537	0.8
205.05058	6.0
206.05782	0.8
207.06644	2.5
209.08174	1.1
210.05304	1.9
219.06601	2.0
220.07378	3.4
221.08055	0.6
223.06029	0.5
224.06921	1.2
225.07664	10.3
235.09636	0.6
253.04980	0.6
266.05734	0.6
269.04352	0.5
282.05292	0.9
285.04047	1.0
295.09436	0.5
297.07666	1.2
299.09207	1.0
300.10074	0.6
314.07660	0.9
315.08832	1.1
327.08676	0.7
328.09305	0.5
329.10147	1.3
343.11826	4.1
356.12473	0.5
359.11404	1.2
369.13196	0.6
371.11356	1.1
372.11917	1.3
373.12912	24.3
386.13776	0.8
387.10132	3.2
387.15189	3.1
388.11362	0.9
401.12262	0.7
402.13092	2.5
403.13901	12.0
416.14615	1.6
417.15546	22.1
421.15039	19.7
457.15045	0.5
505.14883	0.6
520.17023	0.6
535.16162	2.6
549.17175	0.5
550.18317	1.4
551.19281	0.7
564.19641	0.7
565.20782	39.9
577.20056	0.7
595.21832	24.0
613.22845	18.8
613.32861	1.0
625.22534	0.6
643.23505	1.9
649.23035	0.6
743.26990	3.8
773.27936	2.5
791.29230	4.6
803.28717	0.8
821.30591	2.7
839.31519	4.8
893.31714	1.1
939.33801	1.8
951.34601	0.6
969.35138	4.1
987.35522	1.7
999.34998	0.9
1017.37067	1.0
1035.37231	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
71.96558	0.5
73.36552	0.4
85.02963	1.6
87.00867	0.5
89.02441	3.1
93.03453	5.8
95.01421	0.6
95.05025	0.8
97.06595	0.4
101.02428	2.5
105.03574	0.5
107.05031	0.7
108.02202	1.3
109.02946	2.4
113.02447	1.5
119.03465	1.0
121.02966	8.7
121.06564	0.6
122.03740	18.3
123.00859	1.1
123.04559	1.5
123.82526	0.5
124.01669	1.2
126.63934	0.5
131.03374	0.5
133.02939	2.1
133.06575	4.1
134.03735	1.6
135.04536	1.9
136.01668	6.2
137.02448	12.6
138.03212	1.3
139.04002	1.3
141.60849	0.5
145.02942	1.4
146.03726	1.8
147.04535	1.0
148.01649	0.8
149.02444	26.3
149.06075	0.9
150.03223	100.0
151.00362	6.5
151.04012	9.8
152.01169	1.4
152.04793	2.1
153.01930	0.6
153.05571	1.9
158.03703	0.5
159.04521	0.6
161.02434	1.5
161.04590	1.2
161.06015	0.9
162.03217	1.9
163.04001	1.4
164.04799	6.5
165.01930	26.3
165.05563	82.5
166.02715	16.5
167.03540	2.3
168.04298	0.5
170.89799	0.5
171.10263	1.7
173.05995	0.9
174.03091	0.5
175.03989	1.2
177.01970	1.6
177.05574	2.8
178.02739	1.0
179.03485	7.0
179.05573	1.8
179.07040	5.6
180.04279	18.0
181.05067	22.9
187.04042	1.6
190.02675	0.6
190.06296	0.9
191.03635	1.2
191.05588	1.2
191.07144	1.0
192.04294	1.6
193.05029	1.8
194.05858	2.0
195.06616	73.2
203.03548	0.7
205.05042	4.2
206.05812	0.7
207.06609	1.9
209.08134	1.9
210.05307	2.6
211.06090	0.7
211.13380	2.0
219.06523	0.9
220.07338	2.3
224.06824	0.6
225.07669	13.6
229.14488	1.9
235.09627	0.6
236.26308	0.6
285.03979	0.7
299.09326	0.6
315.08661	0.6
327.21741	11.8
329.10242	1.4
341.08603	1.3
343.11703	1.5
356.12238	0.6
359.11310	1.0
371.11038	0.6
372.12173	1.0
373.12943	8.6
386.13782	0.7
387.10583	1.9
387.15015	3.4
388.11392	0.6
402.13162	1.9
403.13937	4.4
411.12741	0.8
416.14587	1.1
417.15509	18.6
421.14984	9.4
429.13956	2.2
475.15973	5.1
535.16321	1.5
545.20074	2.0
545.27899	0.5
550.18378	1.5
564.19672	1.4
565.20770	26.1
580.18787	0.6
583.21851	0.8
594.20947	1.0
595.21838	14.5
599.21136	1.5
612.22186	0.8
613.22821	18.4
625.22717	1.2
643.23859	1.8
649.22754	0.9
697.24811	0.7
707.24915	1.1
743.26984	4.2
773.27765	3.7
791.29248	6.7
803.29181	1.1
821.30347	3.4
839.31085	5.7
873.46356	0.7
893.32391	0.7
920.68762	0.6
939.34210	0.8
969.35162	2.3
987.36444	1.6
1017.37738	0.8
1035.38794	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02939	1.8
81.03465	1.1
83.01388	1.2
83.05018	0.8
85.02952	3.7
86.00122	0.3
87.00892	0.4
89.02438	0.4
93.03459	29.8
95.01391	0.6
99.00874	0.9
99.04510	0.4
101.02441	6.4
109.02959	1.5
111.00906	1.2
111.04514	5.4
113.02475	2.5
115.03985	0.3
127.04008	0.7
137.02454	5.1
142.43231	0.2
155.03516	4.3
159.02974	0.3
161.04572	0.8
173.04549	95.7
174.04944	0.5
185.11810	0.5
191.05602	0.4
201.02980	0.2
266.57416	0.3
303.18054	0.3
347.17102	20.6
521.22375	100.0
522.22638	2.2
567.92450	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
74.73114	0.4
85.02938	0.9
89.02443	1.0
93.03451	0.6
101.02441	1.2
105.03477	0.7
107.01373	0.5
107.05031	0.8
107.16554	0.3
109.02960	0.9
113.02481	0.9
117.03481	0.9
119.03505	0.4
121.05098	0.7
132.02180	1.7
133.02954	27.4
134.03722	1.9
135.04524	34.4
137.02461	0.4
151.00365	1.3
161.02441	90.1
162.02815	1.2
164.07156	0.4
166.55637	0.4
177.01929	0.4
177.05551	0.4
179.03485	19.7
180.03876	0.4
190.01926	0.5
191.05653	2.6
221.04459	0.5
229.01445	1.1
230.48944	0.4
275.66510	0.4
281.06760	0.6
284.03241	1.5
285.03979	3.4
286.04294	0.7
287.05713	0.7
292.76556	0.5
427.12347	2.0
443.12354	0.5
445.13504	39.6
447.09091	2.6
448.09375	0.8
495.11636	0.8
537.16083	0.8
562.19147	1.3
563.19836	1.0
605.14893	4.8
606.15356	1.6
607.16656	100.0
608.17084	1.1
1055.36157	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02940	1.8
79.01882	0.3
81.03487	0.5
83.01413	0.9
85.02943	4.2
85.03445	0.2
87.00896	0.8
89.02447	18.4
89.77901	0.2
93.03461	3.7
93.66490	0.3
95.01380	1.2
95.05037	0.4
97.02951	22.6
98.22603	0.6
99.00876	2.0
101.02442	10.5
105.03461	1.4
113.02456	6.2
113.03239	0.3
115.04007	0.4
119.03503	5.8
119.04277	0.3
119.05038	0.6
121.02969	0.4
121.06622	1.1
123.04533	4.9
125.02472	1.1
125.28297	0.2
131.03517	1.0
134.03719	0.2
137.09727	0.5
141.01987	0.9
143.03535	0.9
144.07008	0.3
147.04564	0.3
149.04597	1.4
149.06108	6.7
156.30580	0.3
159.03009	0.3
159.04453	0.2
161.02542	0.3
161.04535	1.3
167.07124	1.5
179.05641	1.2
179.07042	0.2
189.12910	0.5
191.05685	0.8
193.05054	10.6
233.06705	0.8
293.08795	0.4
298.92798	0.3
363.96460	0.3
373.11395	44.2
483.70029	0.3
501.23526	1.5
549.25507	1.0
681.29736	100.0
682.30011	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1073.465
Annotation	Unknow
Peak:m/z	Relative Intensity
81.67263	0.4
83.01392	3.2
85.02953	8.3
87.00892	2.2
89.02444	28.8
93.03464	1.5
95.01388	2.6
95.05032	18.7
97.02982	1.0
99.00871	2.3
99.04525	1.2
101.02447	30.4
108.02178	1.4
111.00879	12.8
113.02452	12.6
115.03992	0.5
119.03516	12.4
119.04945	2.4
121.02959	73.8
121.06576	3.0
123.04523	14.9
125.02417	1.0
127.04010	6.4
129.02039	0.4
131.03513	2.2
135.04538	0.6
137.06084	1.7
138.37451	0.4
139.00374	10.9
139.04037	0.9
143.03500	3.8
147.04533	4.8
149.02455	3.9
149.04530	1.2
153.05548	0.5
159.02995	0.6
161.04572	6.4
161.84901	0.5
163.04036	0.9
165.04514	0.3
165.05576	10.5
179.05646	31.7
179.07138	5.5
181.05042	2.1
191.03516	2.9
191.05339	0.4
206.04373	0.5
209.04596	2.0
223.06113	26.8
235.49738	0.4
237.00406	0.4
241.07121	0.8
247.28830	0.5
333.08289	2.3
371.09827	26.3
375.23788	2.6
403.12433	56.5
507.27905	0.8
537.29102	3.2
613.36255	0.5
613.54944	0.4
651.97601	0.5
669.33380	100.0
670.34039	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03456	0.4
82.65250	0.2
83.01376	0.3
83.05030	0.7
85.02953	3.4
87.00906	0.2
89.02451	1.7
93.03468	1.1
95.01386	3.5
95.05027	0.9
96.96015	0.5
97.02969	0.7
97.06596	2.5
101.02445	11.3
108.02166	0.3
109.02942	0.5
111.08176	0.3
113.02457	2.1
119.03514	0.7
119.08633	0.3
121.02946	0.8
122.03722	0.4
123.04527	5.8
125.02473	0.3
125.09715	1.0
127.11275	0.8
131.07129	1.0
133.02983	0.3
135.04514	0.6
137.02449	0.3
137.09732	0.5
143.03491	1.2
143.48360	0.2
149.02449	0.7
150.03227	1.3
151.00365	0.3
151.03931	0.3
155.03517	11.1
155.10817	0.7
161.02452	0.5
161.04549	3.0
163.11330	0.2
165.05608	1.0
165.12878	0.6
166.02692	0.3
167.14391	0.7
168.58492	0.2
169.05124	0.4
171.10258	7.2
175.04021	0.3
177.12880	0.6
179.03535	0.4
179.05620	1.3
181.05093	0.8
183.13864	2.8
185.11824	0.9
191.05626	0.6
193.12294	1.1
195.06659	0.4
197.04550	0.6
197.11848	0.7
199.13336	0.3
203.10820	0.5
209.11775	1.4
211.13396	16.1
221.11874	2.9
225.07672	2.7
227.05698	0.3
229.14447	11.0
239.12840	1.9
247.20659	0.4
269.04340	0.3
284.03079	0.3
285.03979	1.8
291.19666	2.7
309.09677	0.4
309.20596	0.6
317.08688	1.6
327.21759	100.0
328.21951	0.4
333.06912	0.2
471.15045	6.5
489.16251	2.3
525.16272	1.5
562.71265	0.2
595.20343	3.8
609.55005	0.3
725.22424	0.3
757.25610	2.3
757.38611	0.3
1085.28894	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.7028
Annotation	Unknow
Peak:m/z	Relative Intensity
83.36726	0.2
143.59937	0.2
217.77925	0.2
233.04948	0.2
286.83948	0.2
293.44315	0.2
407.33273	1.5
448.27060	0.2
455.35291	100.0
456.35681	1.0
613.54736	0.2
826.96222	0.2
855.22357	0.2
889.38068	0.2
994.48059	0.3
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
55.01875	30.2
55.35757	1.7
55.53185	1.9
65.92548	2.4
67.01887	67.2
69.22373	11.6
78.95905	49.8
83.01386	87.1
84.01735	3.7
111.00878	100.0
112.01221	4.0
128.08043	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	1123.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95902	61.6
96.96961	4.5
98.21892	1.3
150.98029	0.8
152.99588	69.6
171.00641	20.7
227.03273	3.2
245.04303	78.6
253.21727	31.6
254.22084	0.4
369.00519	0.5
375.85953	0.5
473.68637	0.5
475.58911	0.5
481.25720	100.0
732.34479	0.5
795.22784	1.4
821.57178	0.5
895.46204	0.6
1091.48840	0.6
1123.48999	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0037
Annotation	Maleic acid
Peak:m/z	Relative Intensity
69.27521	10.0
71.01380	100.0
72.01698	1.9
78.40057	2.0
84.82541	1.9
87.00847	2.2
115.00381	9.2
117.53367	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	115.0037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	16.5
68.99573	4.0
70.51707	7.0
71.01378	100.0
71.05002	4.6
76.36867	3.0
87.00866	10.0
89.01458	2.9
114.93399	11.2
115.00396	14.1
115.03986	5.4
116.02495	6.9
116.07175	31.3
133.18381	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	1155.2778
Annotation	Stachysetin
Peak:m/z	Relative Intensity
83.01402	0.2
85.02955	0.1
89.00336	0.1
93.03466	0.6
95.01382	0.1
96.96022	0.1
97.02962	0.1
99.08769	0.1
101.02443	0.2
105.03481	0.2
107.01394	2.0
111.00900	0.2
111.16331	0.1
111.52882	0.1
113.02468	0.2
115.00377	0.3
117.03466	5.1
119.05024	0.2
121.02966	0.3
125.02451	0.1
131.05019	0.1
132.02220	0.1
133.02980	0.2
133.06593	0.1
135.04526	0.5
137.02451	0.1
139.00394	0.3
141.03531	0.1
143.04947	0.1
145.02954	1.1
147.00867	0.1
149.02451	1.5
150.03214	0.1
151.00374	1.4
151.01541	0.1
155.03540	0.1
155.05032	0.1
157.06581	0.2
158.03784	0.1
159.04520	1.3
161.02441	1.1
161.04510	0.1
163.04063	0.1
165.05530	0.1
169.06560	0.5
171.04535	0.2
173.04578	0.1
173.06018	0.1
176.01012	0.1
179.03499	0.1
180.04407	0.1
180.05836	0.3
181.06546	0.5
182.03751	0.2
183.04503	1.0
191.05614	0.4
195.04492	0.2
196.05225	0.5
197.06082	0.8
199.04031	0.3
201.05566	0.7
203.03323	0.1
210.06841	1.0
211.07645	5.1
213.05687	0.2
224.04781	0.3
225.05563	1.6
227.03474	0.8
239.03522	0.1
240.04221	0.2
241.05099	0.3
253.04990	0.1
255.03171	0.1
255.06412	0.1
259.04547	0.4
265.08817	0.1
267.02927	0.1
268.03781	5.9
269.04541	100.0
270.04895	0.6
281.04584	0.2
283.06104	0.2
285.04132	0.4
301.05453	0.1
309.07587	0.2
311.05600	6.1
335.05298	0.1
351.08798	0.1
363.12714	0.1
365.53384	0.1
413.08810	0.4
431.09833	2.9
453.11517	0.1
471.12802	0.2
485.10995	0.2
488.46652	0.1
511.08862	0.4
529.09869	1.1
569.13110	0.2
571.10889	0.4
577.13568	3.5
578.13904	0.1
613.11908	0.2
615.17181	0.1
619.14545	0.2
655.12927	0.1
673.14172	3.1
697.18701	0.2
723.17493	0.6
741.18292	0.7
783.19244	1.0
825.20392	0.2
885.22461	8.8
886.22693	0.2
943.19287	0.1
1155.27441	2.7
1155.52771	0.1
1156.28772	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
51.52216	0.5
52.34061	0.4
55.01873	0.9
59.01386	0.5
60.11786	0.4
60.43867	0.4
66.99953	0.4
70.30731	0.7
71.01411	0.5
73.02944	100.0
74.02470	0.6
74.03291	2.9
80.02526	0.5
85.80295	0.4
99.00879	9.0
99.92599	0.6
116.92856	2.1
117.01945	17.3
118.02256	1.0
118.02988	0.5
135.29927	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0194
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01877	0.8
56.93112	0.4
59.01365	0.4
59.37855	0.3
60.12398	0.3
61.68021	0.4
61.87252	0.3
69.29105	1.8
71.01378	0.4
73.02944	100.0
74.03273	2.8
99.00875	7.8
99.92580	1.0
107.95898	0.4
111.87885	0.4
116.92861	2.2
117.01938	16.5
118.02245	0.8
129.63503	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1171.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01383	0.3
85.02937	0.3
89.00324	0.1
91.75943	0.1
93.03451	1.0
95.01392	0.2
97.03004	0.1
99.00875	0.2
101.02444	0.2
105.03469	0.3
107.01389	2.0
107.05009	0.1
108.02250	0.1
109.02949	0.3
111.00896	0.4
111.04489	0.1
113.02443	0.3
115.00381	1.4
116.02663	0.1
117.03462	5.6
119.05027	0.4
121.02954	1.0
123.04540	0.2
125.02445	0.2
132.02193	0.2
133.02974	0.5
134.03668	0.1
135.04555	0.7
137.02431	0.2
139.00407	0.7
143.04996	0.1
145.02959	0.2
147.00864	0.1
148.01601	0.1
149.02438	2.0
150.03168	0.2
151.00372	2.4
151.04059	0.1
155.03525	0.1
155.04977	0.2
156.05870	0.1
157.01408	0.2
157.06564	0.3
159.04520	1.6
161.02437	1.3
161.04533	0.2
163.03876	0.1
165.05582	0.2
167.05009	0.1
169.06581	0.7
171.04520	0.2
171.08107	0.1
172.05264	0.2
173.06073	0.2
175.03983	0.3
179.03581	0.2
180.05843	0.5
181.06583	1.1
182.03728	0.2
183.04497	1.2
184.05287	0.1
185.02477	0.1
185.06042	0.7
191.05624	0.3
193.05046	0.2
195.04475	0.2
195.06528	0.1
196.05254	0.5
197.06073	1.4
199.02385	0.1
199.03995	0.3
199.07654	0.5
200.04762	0.1
201.05557	1.0
203.03427	0.2
208.05281	0.3
209.06096	0.5
210.06830	0.7
211.04060	0.2
211.07619	0.2
212.04657	0.2
213.05602	0.1
224.04813	0.4
225.05573	3.4
226.06326	2.8
226.08568	0.1
227.03456	1.0
227.07129	29.2
228.07372	0.1
229.01312	0.1
235.07581	0.1
239.03554	0.1
240.04276	0.2
241.05093	0.3
251.07115	0.2
253.05147	0.2
253.08646	0.3
255.10292	0.2
259.04599	0.7
261.05670	0.1
266.05875	0.2
267.03012	0.2
268.03769	10.3
269.04538	100.0
270.04953	0.6
279.06586	0.3
281.04517	0.5
281.08148	0.8
282.05289	0.1
283.06369	0.1
284.03214	0.4
285.04031	2.9
295.06076	0.1
307.05841	0.5
309.04010	0.2
311.05606	7.6
325.07083	0.5
335.05594	0.1
341.10156	0.3
349.07352	0.1
353.06314	0.1
367.08069	0.2
370.11835	0.1
389.12311	0.1
403.08688	0.3
409.09274	0.1
413.08795	0.8
427.10410	0.1
431.09830	1.9
443.13525	0.1
447.09479	0.3
469.11292	0.3
471.13159	0.1
485.10797	0.3
487.12326	0.4
511.08682	0.5
513.10187	0.1
527.12146	0.1
529.10303	1.8
569.12421	0.1
571.10840	1.8
577.13550	0.1
589.14374	0.1
593.12885	0.3
613.12103	0.3
631.16620	2.1
655.13495	0.1
657.18109	0.2
673.14081	7.3
713.19427	0.2
739.17090	0.4
757.17603	0.9
799.18842	4.3
841.20325	0.9
883.21399	0.3
901.21948	14.3
902.22180	0.2
943.19000	1.3
977.23505	0.3
1153.59558	0.1
1171.27051	9.4
1172.26367	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1171.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03468	0.1
83.01381	0.3
85.02950	0.3
93.03466	0.9
94.63060	0.1
95.01375	0.3
99.00896	0.2
101.02422	0.2
105.03467	0.4
107.01392	1.8
108.02135	0.1
109.02946	0.2
111.00902	0.3
113.02447	0.3
115.00383	1.2
117.03469	4.9
119.05039	0.3
121.02963	0.6
123.04531	0.2
125.02435	0.1
127.12886	0.1
132.02109	0.1
133.02939	0.6
134.03638	0.1
135.04541	0.6
137.02473	0.2
139.00410	0.8
143.05013	0.2
145.02826	0.1
149.02435	1.9
150.03232	0.1
151.00377	2.1
155.03575	0.2
155.05000	0.2
157.06581	0.4
158.03754	0.2
159.04503	1.6
161.02451	1.4
161.04500	0.3
163.00310	0.1
165.01875	0.1
165.05519	0.2
167.05125	0.1
169.06599	0.8
171.04538	0.4
171.08109	0.1
173.06090	0.1
179.03496	0.2
180.05792	0.3
181.06546	0.7
183.04500	0.9
185.06093	0.5
191.05603	0.3
193.05026	0.1
195.04385	0.2
196.05280	0.5
196.67032	0.1
197.06087	1.3
198.06776	0.1
199.04073	0.2
199.07594	0.4
201.05554	0.9
203.03517	0.3
208.05258	0.3
209.06096	0.4
210.06807	0.6
211.03993	0.2
213.05557	0.1
224.04784	0.5
225.05579	3.3
226.06367	2.8
227.03465	0.8
227.07135	29.2
228.07436	0.2
238.06145	0.1
239.03510	0.1
239.07066	0.1
240.04248	0.3
241.05104	0.2
251.07074	0.1
252.04262	0.2
253.08612	0.2
255.10220	0.3
259.04633	0.8
266.05731	0.2
267.03079	0.1
267.06683	0.2
268.03769	9.5
269.04544	100.0
270.04904	1.0
279.06522	0.3
281.04568	0.6
281.08197	0.8
282.05380	0.2
283.06104	0.3
284.03284	0.3
285.04065	2.6
305.04807	0.1
307.06119	0.3
311.05612	8.0
325.07053	0.9
335.05579	0.2
341.10315	0.3
353.06830	0.2
367.08218	0.2
389.12515	0.2
403.08707	0.3
409.09262	0.2
410.51166	0.1
413.08676	0.5
427.10287	0.2
431.09802	2.3
443.13235	0.3
447.09296	0.4
469.11411	0.3
485.10938	0.3
487.12311	0.5
511.08771	0.5
527.11737	0.3
529.10297	1.9
569.12970	0.2
571.10840	1.9
577.13568	0.1
589.15350	0.2
593.13019	0.3
613.11725	0.2
631.16754	2.4
673.14093	7.8
717.25586	0.1
739.16620	0.3
757.17841	0.8
799.18817	4.7
841.19885	1.1
883.20477	0.4
901.21979	14.5
902.23285	0.3
943.19373	1.4
977.23474	0.2
1090.04871	0.1
1171.27087	10.2
1172.27478	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1171.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	0.5
93.03459	0.7
95.01395	0.2
95.83009	0.1
101.02448	0.3
105.03469	0.5
107.01385	2.4
108.02179	0.2
109.02962	0.9
113.32948	0.1
115.00365	0.2
117.03470	3.7
119.05017	0.6
121.02919	1.0
123.04581	0.2
125.02385	0.3
132.02177	0.6
133.02962	7.6
134.03764	0.2
135.04526	2.0
143.05035	0.3
145.02966	2.2
145.06653	0.2
147.04474	0.3
149.02415	2.1
149.06093	0.2
151.00369	5.0
157.06567	0.2
159.04521	1.1
161.02451	5.7
162.62564	0.2
163.03973	0.3
169.06586	0.5
170.27040	0.2
171.04486	0.5
173.06099	0.2
175.04012	2.6
177.01962	0.4
177.05566	0.5
179.03481	1.5
181.06563	0.4
182.03644	0.2
183.04543	0.8
185.06067	0.6
187.03947	0.2
189.05580	0.3
191.05612	0.4
195.04463	0.2
196.05324	0.3
197.02472	0.2
197.06129	0.6
198.03262	0.5
199.02283	0.2
199.04012	2.3
200.04617	0.2
201.01863	0.8
201.05600	0.4
203.03496	0.3
210.06844	1.4
211.04153	0.3
211.07643	3.5
212.04753	0.2
213.05565	0.7
215.03453	0.4
217.05064	1.4
221.04533	0.6
224.04770	0.3
225.05586	0.7
226.02873	0.2
227.03421	0.8
227.07127	0.4
229.05046	0.4
239.03487	0.5
240.04340	0.2
241.05049	1.0
243.02928	0.8
255.02980	1.9
256.03680	1.0
257.04568	0.7
267.03046	0.5
268.03763	1.9
269.04538	44.3
270.04855	0.5
281.04550	0.5
283.02628	1.6
283.05542	0.3
284.03278	13.6
285.04041	100.0
286.04468	0.9
291.06656	0.4
297.03992	0.5
299.05472	0.3
309.04108	0.3
309.07596	0.2
311.05634	1.1
313.03485	0.5
323.07764	2.6
326.04434	0.2
327.05099	3.3
429.08392	0.9
431.09698	0.5
446.08548	0.3
447.09305	7.0
489.10388	0.7
501.10513	1.1
527.08148	1.9
543.11664	0.2
545.09460	0.5
577.13593	2.1
587.10162	0.4
592.12347	0.2
593.12988	15.8
594.13452	0.3
635.14270	0.2
673.14294	0.4
689.13660	1.6
713.18921	0.3
739.16418	1.4
755.19550	0.2
757.17798	4.9
799.18689	6.5
800.18781	0.2
841.19958	1.2
883.21027	0.5
885.23413	1.1
901.21973	38.0
902.22235	1.1
959.17871	0.2
1086.39063	0.2
1171.27161	18.8
1172.26563	0.8
1203.80298	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1187.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01392	0.7
85.02975	0.2
93.03473	0.9
93.60389	0.1
95.01389	0.3
98.22699	0.3
105.03449	0.5
107.01398	3.0
108.02187	0.4
109.02947	1.4
111.00912	0.4
113.02453	0.3
115.00397	0.8
117.02637	0.2
117.03473	4.1
119.05014	0.3
121.02951	1.8
125.02387	0.2
129.03520	0.2
131.05026	0.2
132.02179	0.6
133.02954	7.9
134.03755	0.3
135.04533	1.5
139.00377	0.6
143.05031	0.4
145.02957	0.5
147.00798	0.2
147.04562	0.3
149.02441	3.3
151.00374	6.2
151.03929	0.2
155.03580	0.3
155.04967	0.2
157.02942	0.2
157.06583	0.3
158.03749	0.2
159.04520	1.8
161.02460	1.7
161.04581	0.2
167.05067	0.2
169.06621	0.8
171.04561	1.0
171.08081	0.2
172.05290	0.2
173.04553	0.4
173.06107	0.5
174.03207	0.2
175.04010	2.6
177.01917	0.5
177.05606	0.3
179.03537	0.5
180.05894	0.3
181.06558	0.7
182.03719	0.2
183.04514	0.7
185.06067	1.0
187.03970	0.3
189.05579	0.3
191.05576	0.6
195.04492	0.6
196.05310	0.6
197.06078	1.4
198.03233	0.5
199.03993	2.9
199.07649	0.3
200.04659	0.2
201.01944	0.7
201.05548	0.7
203.03430	0.3
208.05324	0.2
209.06125	0.3
210.02982	0.2
210.06865	0.5
211.04016	0.5
212.04756	0.4
213.05603	1.6
214.02713	0.2
215.03479	0.6
217.05040	1.7
223.04008	0.5
224.04773	0.7
225.05553	2.0
226.02875	0.2
226.06343	2.3
227.03490	0.7
227.07133	8.0
229.01364	0.2
229.05064	0.3
230.01859	0.2
239.03482	0.5
240.04352	0.6
241.05046	3.0
242.02147	0.3
242.05893	1.4
243.03062	0.8
243.06613	8.1
251.06998	0.4
253.05107	0.2
255.03035	1.9
256.03775	1.1
257.04556	0.6
259.04623	0.3
263.07184	0.2
266.05884	0.4
267.02960	0.6
268.03769	5.2
269.04544	54.3
270.04837	0.5
277.05124	0.3
279.06525	0.4
280.07205	0.2
281.04559	0.8
281.08200	1.3
283.02463	1.1
283.05908	0.3
284.03278	14.9
285.04041	100.0
286.04333	1.3
293.04529	0.2
297.07697	0.4
299.05615	0.3
307.06088	1.0
309.04105	0.3
311.05594	3.9
313.03610	0.3
323.05569	0.4
325.07138	0.4
327.05087	2.7
355.04019	0.2
369.05963	0.2
383.07825	0.2
405.11548	0.2
413.08722	0.3
429.08261	0.7
431.09818	0.9
446.08762	0.3
447.09338	5.8
485.10931	0.5
489.10364	0.5
501.10287	2.2
527.08044	1.3
529.09644	1.4
543.11395	0.5
545.08710	0.9
571.11035	0.8
587.10590	0.5
593.13055	2.1
601.49683	0.2
609.12708	0.4
631.16937	0.3
633.12524	0.3
634.02063	0.2
647.16071	0.6
673.14124	3.5
673.25061	0.3
689.13690	4.2
729.18414	0.5
755.16022	1.3
773.17035	2.3
799.19263	0.4
815.18329	6.5
857.19861	0.8
899.20935	0.8
900.18701	0.2
901.21899	1.6
916.22131	0.3
917.21454	43.4
918.22034	0.5
943.19446	0.7
959.18933	0.8
1187.26660	41.4
1188.27161	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1187.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
82.93141	0.1
83.01380	0.6
89.00359	0.1
89.03994	0.2
93.03453	0.4
95.01369	0.2
95.04982	0.1
101.02440	0.2
102.84841	0.1
105.03470	0.7
107.01390	2.3
107.05052	0.2
109.02953	0.9
109.12468	0.1
113.02453	0.1
115.00389	0.1
115.01906	0.1
117.03469	2.7
119.05023	0.3
121.02941	0.8
122.03725	0.1
123.04543	0.1
125.02464	0.2
125.18449	0.1
131.05051	0.1
132.02168	0.8
133.02957	11.1
134.03773	0.7
135.04527	4.5
136.01723	0.1
137.02425	0.3
139.00397	0.2
141.07147	0.1
143.04965	0.4
145.02971	1.5
147.04509	0.3
148.01692	0.1
149.02444	2.3
149.06096	0.3
151.00372	5.4
151.03992	0.2
155.05017	0.1
157.02943	0.3
157.06575	0.1
158.03752	0.1
159.04524	0.8
161.02449	12.4
163.03961	0.2
167.05011	0.1
169.06609	0.3
171.04495	0.6
172.05222	0.1
173.02388	0.2
173.06076	0.2
174.03203	0.2
175.04001	3.4
177.01976	0.4
177.05565	1.0
178.02679	0.1
179.03506	3.2
180.05905	0.1
181.06676	0.2
183.01010	0.1
183.04512	0.4
185.06068	0.7
187.04036	0.4
189.05557	0.3
191.05551	0.2
195.04576	0.2
196.05309	0.2
197.06070	0.7
198.03236	0.4
199.04002	3.1
200.04788	0.1
201.01935	0.9
201.05540	0.4
203.03545	0.5
210.06853	0.8
211.04103	0.4
211.07635	2.4
212.04723	0.2
213.05560	0.7
214.02634	0.2
215.03589	0.6
217.05058	1.7
220.03851	0.2
221.04579	1.3
223.04031	0.4
224.04753	0.2
225.05565	0.6
226.02745	0.2
227.03581	0.4
228.00639	0.1
229.01381	0.7
229.04936	0.4
230.01855	0.2
237.09303	0.1
239.03400	0.5
240.04323	0.3
241.05032	1.2
242.02266	0.2
243.02994	0.7
245.04402	0.1
250.06129	0.1
251.05620	0.1
253.05022	0.1
255.02980	1.6
256.03775	1.0
257.04587	0.7
263.05527	0.2
265.08633	0.3
267.02924	0.5
268.03741	0.7
269.04544	29.9
270.04935	0.4
274.44440	0.1
280.05853	0.3
281.04639	0.3
283.02502	1.0
283.05713	0.2
284.03278	13.5
285.04041	100.0
286.04428	0.8
291.06595	0.3
294.82932	0.1
297.04044	0.4
298.04861	0.2
299.05643	0.3
309.04025	0.3
309.07520	0.1
311.05557	0.1
313.03549	0.4
323.07755	4.0
327.05112	2.5
327.08234	0.1
369.06204	0.1
372.59445	0.1
429.08240	0.6
431.09912	0.2
446.08591	0.3
447.09293	4.8
485.11578	0.1
489.10300	0.4
501.10477	0.9
527.08362	0.9
543.11310	0.1
545.09424	0.4
577.13153	0.1
587.10260	0.1
593.12988	26.9
594.12927	0.4
609.12488	6.5
633.12622	0.1
633.77948	0.1
635.14246	0.4
647.15942	0.5
689.13373	0.5
713.18372	0.3
739.17096	0.5
755.18060	0.7
757.17786	2.2
773.17322	0.3
799.18677	2.5
815.18762	0.4
823.18109	0.1
841.19611	0.5
883.20868	0.3
899.21118	0.2
901.21991	12.1
902.22284	0.1
916.19958	0.1
917.21442	6.6
975.18286	0.1
993.71271	0.1
1093.20923	0.1
1187.26660	31.5
1188.27466	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1187.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01378	0.6
85.02965	0.1
93.03462	0.5
95.01378	0.4
99.00877	0.2
101.02455	0.2
105.03451	0.5
107.01394	2.2
109.02969	1.2
111.00877	0.2
113.02453	0.2
115.00375	0.7
117.03459	2.1
119.05061	0.3
121.02958	1.1
125.02471	0.2
132.02188	0.5
133.02951	6.9
134.03651	0.2
135.04500	0.8
137.02368	0.2
139.00380	0.5
143.05045	0.3
145.02948	0.5
147.04495	0.4
148.01672	0.1
149.02425	2.0
151.00357	4.3
151.04019	0.2
155.03571	0.1
157.01483	0.2
157.02806	0.2
157.06561	0.3
159.04495	0.8
161.02431	1.5
161.06075	0.1
169.01479	0.2
169.06635	0.4
171.04503	0.5
171.94951	0.1
172.05362	0.2
173.04643	0.1
173.06052	0.2
174.03194	0.2
175.03998	2.8
177.01933	0.4
179.03499	0.3
180.05840	0.3
181.06552	0.4
183.04443	0.6
184.05254	0.1
185.06076	0.8
185.22699	0.1
187.03969	0.2
188.45007	0.1
189.05553	0.4
191.05658	0.3
195.04536	0.3
196.05336	0.2
197.06090	1.0
198.03178	0.4
199.04015	2.5
199.07677	0.2
201.01895	0.9
201.05603	0.4
203.03555	0.2
209.06190	0.2
210.06808	0.3
211.03998	0.3
212.04858	0.2
213.05573	0.8
215.03450	0.6
217.05061	1.4
223.04089	0.3
224.04787	0.2
225.05539	1.4
226.02776	0.1
226.06354	1.3
227.03871	0.7
227.07126	7.6
229.01349	0.3
229.05023	0.4
238.06369	0.1
239.03523	0.5
240.04256	0.3
241.05080	1.4
242.02261	0.3
242.05873	0.4
243.02982	0.6
243.06599	3.3
251.07114	0.3
253.08636	0.4
255.02989	1.6
255.10312	0.2
256.03763	1.0
257.04538	0.7
259.04718	0.1
261.05725	0.2
263.07108	0.2
266.05875	0.4
267.02954	0.4
267.06268	0.2
268.03781	2.6
269.04532	31.4
270.04913	0.7
279.06473	0.6
280.07574	0.1
281.04572	0.6
281.08203	1.1
283.02560	1.6
283.05881	0.2
284.03262	13.3
285.04028	100.0
286.04385	1.0
294.05154	0.2
297.04123	0.6
298.04736	0.2
299.05518	0.2
306.05298	0.1
307.06070	1.1
309.03989	0.2
311.05548	1.9
313.03442	0.6
321.03928	0.2
323.05469	0.2
325.07074	0.2
327.05063	2.9
339.04926	0.1
351.05191	0.2
413.08957	0.2
429.08154	0.8
431.09854	0.4
446.08691	0.4
447.09265	5.8
469.11221	0.2
485.11215	0.1
489.10345	0.4
500.09515	0.3
501.10349	2.2
527.08197	1.4
529.08929	0.6
543.11200	0.4
545.08795	0.9
571.10992	0.2
587.10413	0.3
593.12939	1.1
609.12323	1.3
631.16766	0.2
633.12793	0.2
647.15759	0.2
665.39093	0.2
673.13885	1.3
689.13586	3.0
729.18457	0.3
755.16034	1.3
757.15894	0.1
773.17297	1.8
797.17120	0.1
799.18927	0.3
815.18195	4.6
857.18982	0.5
899.20416	0.9
901.21893	1.2
917.21417	28.4
918.21637	0.6
943.19501	0.2
959.19287	0.8
1187.26599	29.3
1188.27454	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1189.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01375	0.3
85.02953	0.5
86.95229	0.1
87.00889	0.2
89.02441	2.4
93.03442	0.2
95.01391	0.2
101.02448	2.9
107.01414	1.1
113.02441	1.2
117.03450	1.2
119.03503	1.4
121.02916	0.2
125.02418	0.2
130.04179	0.1
131.03520	0.3
133.02979	0.2
135.04530	0.3
143.03522	0.5
147.04591	0.1
148.01656	0.4
149.02460	1.3
149.04530	0.1
149.99612	0.2
151.00365	2.1
156.05826	0.2
158.03773	0.2
159.04485	0.3
161.02496	0.2
161.04526	0.6
167.05013	0.2
169.01445	0.2
171.04503	0.7
172.05275	0.8
179.05602	2.3
180.05858	0.1
181.01749	0.2
181.05019	0.3
181.06523	0.2
183.04488	0.4
184.05309	0.3
191.05586	0.3
195.04500	0.3
196.05313	0.7
197.05960	0.2
198.03140	0.1
199.03885	0.2
200.04784	0.7
201.05551	0.3
209.86215	0.1
211.04022	1.2
212.04787	0.6
223.03999	0.2
224.04778	0.2
225.05528	0.5
227.03473	0.2
233.04578	0.3
233.08287	0.1
239.03497	2.5
240.04276	3.2
240.06755	0.2
251.03595	0.1
253.04861	0.1
267.02948	1.3
268.03763	92.7
269.04526	27.9
270.05109	0.1
281.04526	0.3
283.06152	0.5
285.03958	0.2
303.50607	0.1
311.05600	1.5
341.06708	0.3
431.09811	100.0
432.10101	0.6
433.10617	0.1
493.17258	2.3
525.16119	4.6
577.18933	0.6
595.20331	2.7
757.25439	0.5
814.45215	0.1
824.04474	0.1
1157.69482	0.1
1189.42957	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1189.572
Annotation	Unknow
Peak:m/z	Relative Intensity
96.96967	1.5
98.22652	0.6
133.46704	0.3
147.50520	0.3
151.00365	0.4
152.99593	37.8
171.00645	9.4
197.85394	0.2
199.04030	0.4
202.75858	0.2
227.03308	2.1
245.04303	48.7
252.66669	0.3
253.21725	22.0
284.03278	6.1
285.04062	12.4
316.20044	0.3
481.25720	100.0
482.25812	0.5
699.66858	0.3
707.30676	10.9
767.43750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0503
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
59.01369	1.5
67.47796	0.7
70.79728	1.1
71.31927	0.7
76.92694	0.7
88.77058	0.8
91.05531	0.8
93.03452	2.7
101.92401	1.0
107.29525	0.7
118.92690	3.2
119.02505	3.3
119.05025	100.0
120.05350	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	119.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.5
64.38966	0.5
69.77311	0.6
70.80461	1.0
91.05524	1.0
93.03466	3.1
95.57676	0.6
104.38067	0.6
105.73261	0.6
118.64631	0.6
118.92696	1.1
119.05025	100.0
120.05357	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	123.0452
Annotation	Methylhydroquinone
Peak:m/z	Relative Intensity
55.96993	2.1
57.27271	2.5
60.32172	2.4
61.13775	2.5
65.96366	2.2
66.92260	2.0
67.01890	19.6
68.99812	6.5
69.03465	16.8
79.00603	2.4
79.01888	5.8
80.02712	2.4
81.03459	3.0
87.34142	2.5
87.69601	2.9
93.03452	8.8
94.02995	11.1
95.01382	9.8
95.05027	27.4
105.03473	4.7
106.12931	2.3
108.02177	48.5
108.69640	2.5
121.02936	9.0
123.00916	3.4
123.03607	5.4
123.04523	100.0
124.04066	5.0
124.04848	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	123.0452
Annotation	Methylhydroquinone
Peak:m/z	Relative Intensity
53.68757	2.0
57.23496	1.9
62.50126	1.7
66.03487	9.7
67.01884	14.8
67.53720	1.7
68.99817	4.6
69.03448	13.5
70.90128	2.6
78.03490	2.5
79.01886	3.7
80.02671	3.7
93.03452	8.4
94.02981	24.4
95.01382	18.6
95.05032	23.9
96.04571	3.4
96.05280	2.0
105.03445	4.5
108.02174	39.5
109.02494	2.5
121.02969	8.1
123.00900	12.6
123.04521	100.0
124.04041	16.4
124.04839	4.6
124.54324	2.1
136.15376	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	127.0402
Annotation	5-Hydroxymethylfurfuryl alcohol
Peak:m/z	Relative Intensity
55.79453	0.4
62.29052	0.4
67.01891	100.0
68.02222	3.2
70.09455	0.6
70.09778	0.8
95.01392	1.6
97.02973	0.5
98.22013	0.7
112.01664	3.6
124.51662	0.4
126.90440	1.3
127.04017	13.9
128.03543	1.0
128.04378	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0401
Annotation	5-Hydroxymethylfurfuryl alcohol
Peak:m/z	Relative Intensity
53.56695	0.5
55.22802	0.5
67.01889	100.0
68.02216	3.5
68.33671	0.7
68.99838	0.5
69.09485	1.3
69.09889	1.9
77.70850	0.6
95.01376	1.1
97.02937	1.0
98.21786	1.1
112.01675	4.2
120.96431	0.6
126.90474	2.3
127.04012	14.2
127.66596	0.6
128.03539	1.1
139.00792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0402
Annotation	5-Hydroxymethylfurfuryl alcohol
Peak:m/z	Relative Intensity
55.21803	0.4
67.01891	100.0
68.02240	2.6
69.10034	3.2
73.04475	0.5
83.76015	0.5
95.01389	1.9
97.02920	0.6
98.22607	1.0
112.01658	3.1
116.17259	0.4
126.90494	1.5
127.04015	14.6
128.03552	0.6
149.91431	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0402
Annotation	5-Hydroxymethylfurfuryl alcohol
Peak:m/z	Relative Intensity
57.89781	0.5
59.01400	0.5
59.15359	0.5
60.64149	0.4
63.26390	0.4
67.01891	100.0
68.02225	3.2
68.99806	0.8
69.26780	0.5
74.59651	0.6
83.05020	0.6
85.02979	0.8
95.01371	0.7
97.02934	0.7
97.79796	0.6
112.01688	3.2
126.90437	4.3
127.00372	0.9
127.04015	14.2
128.03542	2.5
128.04372	0.8
145.59863	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0355
Annotation	4-oxopyrrolidine-2-carboxylic acid
Peak:m/z	Relative Intensity
52.78619	7.2
57.03441	21.7
58.02972	14.7
59.01377	16.7
65.06777	8.4
70.40611	19.9
71.01373	28.6
72.99297	9.9
73.02961	11.6
83.01369	13.3
83.05051	9.0
84.39011	8.6
85.02950	22.0
86.02489	13.4
87.70602	8.8
111.00877	15.6
127.87080	34.6
128.03535	100.0
128.90146	17.0
129.01939	14.0
129.05579	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0195
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
51.32269	4.6
55.01884	12.2
57.03446	54.7
60.91880	5.0
66.38669	5.6
67.01893	100.0
68.99815	12.9
69.66349	17.4
71.01401	14.3
72.99316	8.6
73.02963	5.6
83.01402	10.1
85.02957	89.0
88.04046	26.0
95.37080	4.3
101.02431	8.1
129.01968	34.0
130.08748	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	129.0195
Annotation	Mesaconate
Peak:m/z	Relative Intensity
53.10899	4.7
54.19295	4.3
55.01876	10.3
56.00338	4.0
57.03444	56.3
61.05736	3.8
67.01890	100.0
68.99820	7.9
70.63376	4.7
77.88589	4.6
85.02969	31.9
121.76545	4.0
124.51225	4.5
128.90094	5.6
129.01930	17.9
130.08708	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	129.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	8.7
55.13121	4.0
57.03450	45.6
64.22595	3.9
67.01527	5.4
67.01891	100.0
68.99804	9.0
69.55218	12.1
71.01384	12.7
73.02932	5.7
75.80883	4.1
83.01385	5.3
85.02956	40.9
86.06116	4.0
88.04027	7.2
98.22694	5.2
102.50972	4.7
111.00850	5.0
129.01935	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	129.0559
Annotation	3-Oxohexanoic acid
Peak:m/z	Relative Intensity
51.36337	2.7
55.01872	4.3
57.03436	5.6
59.01376	6.0
67.01882	5.6
68.99820	5.6
70.26637	2.3
71.01376	5.2
71.46836	2.1
73.02933	7.7
78.81590	2.1
83.01392	2.4
83.05029	10.2
85.02954	11.7
85.06590	100.0
86.06111	3.7
86.06932	3.7
87.00878	3.6
88.04053	14.5
99.00983	2.8
100.00384	2.9
101.02428	2.7
111.04520	22.8
112.04060	3.4
121.15983	2.3
128.90178	7.1
129.01926	9.5
129.05589	44.9
130.05067	3.3
130.08740	23.4
137.08429	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	130.0875
Annotation	Isoleucine
Peak:m/z	Relative Intensity
56.20248	0.7
69.43489	2.2
69.43875	1.5
70.71431	0.8
73.02934	0.9
76.99988	0.8
87.04517	2.1
98.22578	1.6
101.10756	0.8
113.06147	0.7
129.78186	0.7
130.08737	100.0
131.03511	0.9
131.09099	4.1
146.33592	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
56.15502	1.0
57.01801	1.1
59.01382	2.1
70.60197	0.9
70.60935	1.8
71.01382	84.1
72.01714	2.2
72.99306	17.7
75.56129	1.0
89.02460	9.2
109.90144	1.3
115.00375	100.0
116.00745	2.8
127.40500	1.1
130.46819	1.2
133.01433	24.3
134.01779	1.2
144.32530	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54369	4.1
71.01380	66.6
72.01723	1.7
72.99307	18.6
78.87608	1.2
79.81982	0.9
87.00903	1.3
89.02428	7.5
115.00373	100.0
116.00727	4.4
116.80045	0.9
133.01427	26.2
140.35071	1.1
148.22961	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	Malic acid
Peak:m/z	Relative Intensity
59.01383	1.4
71.01381	71.0
72.01708	1.6
72.99306	16.6
87.00894	1.2
89.02449	5.9
97.21078	1.0
105.03519	1.1
106.44724	0.9
115.00375	100.0
116.00705	2.6
133.01427	26.3
133.02953	1.3
134.04750	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20483	11.2
69.34281	20.3
69.34686	48.4
71.01383	73.1
73.11834	10.6
97.53281	9.9
109.05746	10.7
115.00373	100.0
120.39591	10.4
124.17977	10.5
132.86824	22.1
132.90034	17.1
133.01454	33.3
134.04745	30.0
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
58.58982	0.3
65.01433	0.4
68.02512	0.4
70.27452	0.7
79.34126	0.3
90.43629	0.4
92.02542	6.8
93.02844	0.3
98.21896	0.3
103.23828	0.3
107.03635	28.6
108.03315	0.5
108.03976	1.2
127.59644	0.3
132.91924	0.3
134.04726	100.0
134.30385	0.3
135.05219	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	135.0449
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
69.69218	2.4
98.21936	3.1
99.92586	1.5
107.05025	2.7
117.76907	1.2
134.03745	14.3
134.86560	4.0
134.89470	23.7
135.04521	100.0
135.89445	1.9
136.04831	5.2
145.70247	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37503	0.3
65.03951	0.8
65.24062	0.3
69.25883	1.3
69.26288	0.5
81.03456	3.4
88.60873	0.3
88.92113	0.3
91.01888	0.5
93.03461	7.9
98.21874	0.6
99.92614	0.7
108.02176	5.8
108.78503	0.3
109.02987	3.2
119.01398	1.1
136.01665	8.1
136.86282	0.6
136.89178	8.0
137.02446	100.0
137.89182	0.4
138.01929	2.0
138.02806	5.3
154.64931	0.3
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
63.14622	0.3
65.03954	0.8
67.05299	0.3
67.26408	0.3
69.46413	0.9
81.03448	2.1
91.01903	0.6
93.03460	4.0
108.02168	4.4
109.02970	3.1
114.04465	0.3
119.01381	0.7
136.01665	7.8
136.89177	2.5
137.02441	100.0
138.01942	0.6
138.02817	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	139.0037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89899	0.8
53.00299	0.8
61.57471	0.7
66.21595	0.7
67.01892	13.7
67.05529	2.0
69.39883	1.7
69.40258	1.7
83.01406	1.7
84.07207	0.8
92.99815	3.4
94.98091	1.6
95.01386	3.9
95.05021	46.6
96.05355	1.7
98.22627	1.6
111.00875	100.0
111.04508	4.3
112.01231	5.5
129.65363	0.8
139.00366	45.0
139.03999	3.8
140.00746	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	139.0038
Annotation	5-Formyl-2-furoate
Peak:m/z	Relative Intensity
53.00294	1.0
55.01860	0.9
56.76616	0.8
66.29813	0.7
67.01889	13.3
68.22182	0.8
79.95728	1.2
83.01383	2.1
90.12596	0.8
92.99817	3.0
93.03460	1.9
94.98080	2.7
95.01387	5.1
95.04414	1.8
95.05026	38.6
96.05349	2.5
96.29808	0.7
109.02460	1.3
111.00880	100.0
111.04523	3.5
112.01225	4.8
139.00375	43.5
139.04016	4.5
139.04967	0.8
140.00700	3.0
145.23116	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	16.9
59.01365	9.7
59.47676	1.6
62.48585	1.7
66.11038	1.8
67.59093	1.8
68.99809	3.2
69.03448	1.8
70.30399	4.8
71.01381	46.2
74.16880	2.0
75.37978	1.9
80.99815	5.5
84.43456	1.9
85.02937	6.5
87.00874	14.1
96.99310	16.6
97.02950	3.2
97.82910	1.9
98.22537	2.9
112.98815	24.3
113.02415	2.1
115.00399	5.1
124.98808	58.8
140.98306	11.0
142.99864	100.0
143.03564	4.2
144.00220	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	15.2
55.01873	3.3
56.76702	2.4
59.01379	18.6
60.15950	2.3
68.99806	2.4
70.98544	2.8
71.01381	43.9
80.99815	8.7
83.01383	9.9
85.02970	6.4
87.00882	12.0
96.99293	13.9
97.02954	3.5
99.04491	7.6
112.98792	25.8
115.00363	6.8
115.04019	5.1
124.98814	46.6
140.98283	10.1
142.99857	100.0
143.03548	6.4
143.10793	6.3
144.00124	4.1
144.04503	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	145.0143
Annotation	2-Oxoglutarate
Peak:m/z	Relative Intensity
50.20132	5.1
51.65690	4.7
57.03446	26.2
59.01365	15.5
66.43990	6.4
69.13254	31.3
71.01387	28.7
73.02946	13.1
83.01382	20.5
87.00877	13.8
100.04044	7.2
101.02450	100.0
102.05612	93.6
115.00359	23.3
127.00401	11.6
128.03535	42.8
133.25732	5.0
136.57249	4.9
145.01393	17.3
146.04562	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0459
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
57.03447	1.2
59.01119	0.7
59.01384	8.6
59.17314	0.8
60.01236	0.7
69.35820	3.6
70.03111	0.6
71.01369	3.9
74.02450	1.2
75.00854	1.6
78.09770	0.8
84.41743	0.7
85.02949	2.9
87.00864	0.8
87.85576	0.8
99.00877	3.2
100.04040	0.9
102.05605	100.0
103.05920	2.1
112.03998	0.8
128.03535	39.2
129.03876	1.7
146.04591	19.1
147.02896	0.9
153.38031	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.03
Annotation	2-Dehydro-3-deoxy-L-arabinonate
Peak:m/z	Relative Intensity
55.01872	1.5
57.03250	1.2
57.03450	13.1
59.01381	100.0
60.01719	1.9
71.01377	33.4
72.99309	6.8
73.02937	1.8
75.00469	1.8
75.00874	21.7
83.01385	5.6
85.02946	6.2
87.00872	3.5
89.02444	9.3
95.61597	1.3
99.00882	33.2
101.02428	4.1
102.05595	5.1
103.05934	17.6
111.00869	6.5
117.01943	1.9
129.01938	8.9
129.03894	9.0
147.03021	10.6
147.04889	4.7
147.29323	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.03
Annotation	2-Dehydro-3-deoxy-L-arabinonate
Peak:m/z	Relative Intensity
57.03435	12.0
59.01379	100.0
71.01376	43.3
72.99310	5.9
75.00880	22.3
83.01405	6.9
85.02941	12.4
87.00860	4.0
89.02448	9.3
99.00263	3.3
99.00881	43.6
101.02444	5.2
102.05598	9.3
103.05303	3.1
103.05939	30.9
111.00864	7.2
111.13550	2.6
117.44624	2.6
129.01903	8.7
129.03862	18.2
147.03023	11.0
147.04962	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	149.0456
Annotation	D-(-)-Arabinose
Peak:m/z	Relative Intensity
50.57743	0.5
52.70125	0.5
55.01878	1.1
57.03439	1.0
59.01381	14.8
69.03460	2.7
71.01381	26.7
71.43588	0.6
73.02947	24.7
75.00872	0.7
81.26995	0.5
85.02969	3.0
87.00874	7.5
89.02447	100.0
90.02768	2.8
95.76960	0.6
101.02453	1.7
103.04017	5.5
131.03513	15.1
132.03865	1.2
149.04559	49.0
150.04874	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	149.0456
Annotation	D-(-)-Arabinose
Peak:m/z	Relative Intensity
52.21617	1.0
56.48291	1.0
59.01379	12.3
67.44121	1.0
69.03455	2.0
69.83974	3.6
71.01382	25.6
73.02946	27.5
75.00875	3.0
85.02934	1.5
87.00892	7.7
89.02444	100.0
90.02789	1.9
98.21946	1.3
103.04017	8.0
105.18924	1.0
131.03505	10.4
138.22949	1.0
149.04553	43.9
150.04918	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	151.0037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39523	0.7
58.17130	0.7
63.02393	4.0
63.60654	0.6
65.00325	100.0
66.00654	2.8
67.70128	0.6
69.40744	1.5
69.41131	1.3
71.01378	0.8
76.48597	0.7
83.01386	38.4
98.21852	1.5
105.51119	0.6
107.01389	71.5
107.05016	1.4
108.01681	1.6
108.02299	1.0
108.04543	0.8
108.99300	1.3
136.01665	20.3
137.02029	1.2
151.00375	41.0
151.03986	2.8
152.00714	1.6
161.66422	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0401
Annotation	4-Methyl-2,6-dihydroxy-benzaldehyde
Peak:m/z	Relative Intensity
65.00329	4.6
65.03953	1.5
67.01884	1.9
68.99808	1.6
69.03455	0.9
71.01385	9.3
76.69627	0.9
77.03963	5.7
79.05537	1.4
81.03472	6.3
83.01425	1.0
92.02656	0.9
93.03477	4.2
95.05019	7.4
105.03452	5.1
107.01386	3.8
107.05031	5.5
108.02174	54.2
109.02994	11.0
121.02972	9.6
122.03722	2.8
123.04523	100.0
124.04834	3.6
133.02968	1.8
133.06595	1.6
136.01662	28.9
143.93573	0.9
149.02438	2.8
151.00403	2.1
151.04005	40.4
151.05215	2.1
151.07611	2.6
152.04369	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	151.0402
Annotation	Vanillin
Peak:m/z	Relative Intensity
59.13294	0.3
64.58060	0.3
66.28356	0.3
67.01875	0.5
69.70866	0.3
71.01392	0.6
81.03443	0.3
89.02440	0.3
92.02672	2.7
95.01373	0.9
98.22587	0.9
105.03475	0.3
107.05007	0.5
108.02179	6.5
108.02901	0.5
108.04556	0.4
109.02966	0.3
123.00865	1.3
123.04539	2.4
136.01665	100.0
137.02005	4.1
151.04019	11.4
151.05234	0.6
151.06055	0.4
151.07590	0.3
152.04431	0.5
152.56198	0.3
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	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
50.66766	0.3
51.34109	0.2
65.78484	0.2
66.03482	0.4
66.48454	0.2
69.20329	1.0
71.67357	0.2
94.66046	0.3
95.01336	0.3
106.04233	0.4
108.04564	0.5
109.02963	1.2
110.00108	0.3
112.18267	0.2
121.02949	0.9
122.03745	36.0
123.04059	1.8
137.02010	1.5
152.03540	100.0
153.01901	0.9
153.03914	3.2
153.05603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0558
Annotation	Terrein
Peak:m/z	Relative Intensity
61.98627	0.5
65.03966	38.1
65.22433	0.8
69.76199	2.3
71.30615	0.6
77.03954	0.7
81.47703	0.6
82.00613	0.6
82.02982	1.0
82.97469	0.6
83.01394	0.6
93.03459	100.0
94.03783	3.5
98.21758	0.6
108.56554	0.6
109.02963	2.7
109.06608	1.0
110.00126	1.1
110.03759	0.8
121.02956	20.9
123.04527	0.8
124.01636	0.8
137.02446	13.2
137.99632	1.0
138.03220	1.9
153.01961	2.7
153.05579	34.1
154.05980	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0558
Annotation	Terrein
Peak:m/z	Relative Intensity
65.03965	43.8
69.09814	4.4
69.10136	1.1
81.03451	0.8
93.03461	100.0
94.03810	2.7
103.22503	0.7
109.02973	1.9
121.02940	8.2
123.04531	1.0
137.02449	17.3
138.03227	2.0
138.62767	0.7
153.01981	0.9
153.05580	34.3
154.05917	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.035
Annotation	(4R,5R)-4,5-Dihydroxycyclohexa-1(6),2-diene-1-carboxylate
Peak:m/z	Relative Intensity
57.19198	0.3
67.01886	6.7
68.99802	1.8
69.25810	1.1
69.26222	0.7
71.01376	0.6
79.01873	1.2
82.05052	0.3
83.01392	0.5
93.03441	0.4
95.01384	100.0
96.01711	2.8
98.21870	0.6
99.00880	0.3
111.04557	0.3
112.01692	0.4
123.00887	1.7
155.03500	44.3
156.03821	1.7
161.36729	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.024
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
50.04719	0.5
55.01852	1.3
57.03454	3.8
57.03704	0.8
58.00564	0.5
59.01377	28.2
61.55936	0.4
69.03437	1.2
70.57613	0.5
71.01379	16.9
71.05019	9.1
72.01713	0.5
72.99319	2.6
73.02943	38.7
75.00855	1.0
77.03962	0.9
81.03458	4.9
83.01379	6.0
84.02167	0.6
85.02947	29.6
87.00861	2.0
87.04502	3.5
89.02440	6.3
89.03997	0.6
95.01380	1.6
96.80816	0.5
97.02944	2.6
99.00903	0.9
99.04515	10.5
101.02438	3.8
103.04050	0.8
104.02692	0.9
105.03463	2.2
113.02438	3.3
115.01879	1.2
115.03992	5.0
115.07646	1.0
117.05570	13.8
117.92918	0.6
118.92618	0.5
121.44051	0.5
123.04578	0.7
125.02457	1.1
127.04610	0.5
131.03505	12.6
132.02162	10.1
132.03926	0.6
133.02957	100.0
134.03307	3.5
160.89345	0.6
161.02452	66.2
161.04469	10.4
161.08194	24.8
162.02924	2.4
162.08504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.0
60.95435	0.3
66.14238	0.3
69.14988	1.9
70.61833	0.3
71.01385	1.2
71.05019	0.8
73.02943	2.6
77.03962	0.9
77.41652	0.3
83.01372	0.4
85.02949	1.6
89.02444	0.6
89.03967	0.9
95.05009	0.3
99.04546	0.9
101.02468	0.5
104.02663	0.7
105.03472	2.3
114.87112	0.3
115.01932	1.5
115.04025	0.5
117.05589	1.3
123.04586	0.3
131.03490	0.7
132.02171	11.0
133.02954	100.0
134.03293	3.7
160.01607	0.5
161.02443	72.8
161.08200	2.1
162.02792	2.6
170.33412	0.3
170.79631	0.3
173.57982	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0244
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
50.71889	0.4
51.85390	0.3
52.43298	0.4
56.21063	0.3
59.01377	4.2
69.36265	0.9
69.36657	1.1
71.01376	2.1
71.05015	1.6
73.02943	5.4
77.03967	1.6
83.01376	0.8
85.02957	3.0
87.00893	0.4
87.04472	0.7
89.02473	0.7
89.03991	1.2
99.04525	1.5
101.02458	0.5
104.02686	0.6
105.03461	2.9
106.51717	0.4
113.02480	0.8
115.01908	1.4
115.03939	0.6
117.05592	1.9
123.48282	0.4
131.03540	1.3
132.02179	9.7
133.02956	100.0
134.03288	4.4
152.08237	0.4
161.02441	75.5
161.08199	2.8
162.02800	2.9
179.45964	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0456
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
51.54671	1.6
55.01863	6.7
55.35840	1.6
57.03442	22.9
59.01379	87.6
64.88346	1.5
67.29292	1.8
69.03459	3.3
69.24945	6.9
69.25345	3.2
71.01379	99.2
71.05017	12.9
72.99304	6.7
73.02947	84.7
75.00884	1.9
77.07994	1.6
81.03456	9.0
83.01379	20.2
84.02187	2.4
85.02953	100.0
87.00868	20.0
87.04530	4.5
89.02454	15.8
93.23357	1.5
95.01382	14.4
97.02953	10.3
98.21684	1.6
99.00877	11.8
99.04525	25.0
101.02445	25.4
113.02439	23.0
115.04005	5.0
117.05601	10.9
117.06299	1.6
125.02431	4.4
129.01842	1.6
131.03511	28.2
133.03038	3.2
143.03494	7.6
161.02437	3.3
161.04568	42.7
161.08189	16.5
164.38281	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	163.0401
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
64.09910	0.2
69.60359	0.3
69.60748	0.5
77.75042	0.2
86.82943	0.2
87.87874	0.2
91.05554	0.3
92.95969	0.3
93.03444	1.7
98.21887	0.3
100.27174	0.2
119.05027	100.0
120.05361	3.1
128.12703	0.2
128.90024	0.2
144.10648	0.2
163.04010	9.1
163.05382	0.5
164.07132	0.2
175.39157	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	m-Coumaric acid
Peak:m/z	Relative Intensity
59.01378	0.3
69.48624	1.4
71.88795	0.3
72.00925	0.9
91.05533	6.4
93.03456	1.7
119.05029	100.0
120.05360	3.6
135.04549	0.7
147.04533	2.0
152.35443	0.3
155.58907	0.3
163.00348	0.6
163.02667	0.4
163.03998	10.8
164.07144	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	163.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.6
75.84317	2.4
105.01864	2.5
118.99257	3.7
119.05032	11.0
129.20107	2.6
162.83919	65.8
163.11288	100.0
163.12672	5.1
164.11636	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	163.1123
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
58.49270	1.9
60.49354	1.8
61.98823	2.9
63.13225	2.0
65.01427	2.4
71.42748	2.1
92.32518	1.9
100.30321	1.9
100.99447	1.7
118.99273	3.0
119.05020	4.5
151.97365	2.2
162.83905	35.2
163.11282	100.0
164.11620	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	164.0717
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
56.56229	0.6
69.49292	2.5
72.00911	42.1
76.79905	0.7
78.69408	0.7
81.03055	0.7
87.00896	1.8
91.05547	4.1
91.06057	0.6
103.05524	7.1
105.01926	1.5
120.05365	0.7
121.02995	2.6
130.28951	0.7
135.16541	0.7
147.04523	100.0
148.04900	3.9
164.07162	53.9
165.07460	1.7
183.92429	0.6
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
51.61394	0.4
59.01343	0.5
59.99377	0.4
60.62591	0.5
71.01384	0.5
71.27429	0.6
75.00878	0.4
80.33619	0.4
87.00869	1.6
93.03473	1.0
105.01924	1.1
109.56020	0.5
121.02956	100.0
122.03262	2.8
123.12827	0.6
165.01930	7.7
165.03339	0.5
165.04041	1.1
165.05528	1.0
174.42635	0.4
174.46533	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0406
Annotation	D-Ribonate
Peak:m/z	Relative Intensity
55.01878	0.4
57.03452	0.7
58.77111	0.2
59.01377	6.8
69.76766	0.4
69.77116	0.6
71.01381	6.4
72.99313	2.6
73.02945	3.3
73.39489	0.2
75.00871	14.4
85.02946	0.6
87.00875	100.0
88.01210	1.5
88.11481	0.2
89.02446	2.3
98.22567	0.3
99.00877	19.1
100.01211	0.3
101.02450	4.4
103.00331	0.3
105.01933	80.8
106.02275	1.4
117.01929	2.9
119.03513	1.1
128.96558	0.3
129.01953	0.8
135.02069	0.4
135.03000	2.2
136.94052	0.3
147.02997	8.6
148.03455	0.3
158.28088	0.2
165.04037	61.6
166.04378	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	166.051
Annotation	Orthoform
Peak:m/z	Relative Intensity
52.34602	0.3
67.01874	0.3
69.50168	0.4
69.50561	0.6
72.66272	0.2
74.67917	0.2
92.02666	0.3
93.03439	0.6
93.99332	0.4
95.01394	0.4
96.96013	0.3
107.70084	0.3
108.02187	2.0
108.46626	0.2
121.02966	9.2
122.02502	0.4
122.03297	2.0
122.06120	0.5
123.00887	0.4
123.04533	0.6
124.98454	1.7
136.01666	1.9
136.05299	9.4
138.01891	0.4
138.05592	0.3
151.02748	26.8
152.01167	2.7
152.03090	0.9
165.83678	0.5
166.01451	7.0
166.05095	100.0
166.83342	0.7
166.99554	0.6
167.03532	0.9
167.05467	2.8
183.01741	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	167.0713
Annotation	3,4-Dimethoxybenzyl alcohol
Peak:m/z	Relative Intensity
57.29359	0.8
57.45400	0.8
67.01882	2.3
69.03456	43.0
79.01884	1.7
81.03480	1.0
85.50296	0.6
91.80352	0.6
93.03459	1.1
95.01405	1.9
95.05033	2.0
97.02951	100.0
98.03279	1.7
98.22610	1.5
105.03449	3.6
107.05057	0.9
108.02154	6.0
121.02982	4.4
123.00914	1.6
123.04527	40.4
124.04899	1.3
147.04581	1.0
149.02417	0.9
149.06065	2.1
152.01164	6.4
153.00618	0.9
153.98582	0.7
166.31238	0.7
167.03517	2.2
167.07153	2.1
168.03014	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83202	3.7
55.01871	8.4
84.36826	3.7
91.01916	9.9
95.01379	16.8
96.04542	9.1
97.02952	4.8
98.21873	7.3
108.02164	46.5
111.04569	3.7
123.00900	21.4
123.04522	29.8
123.05568	5.3
124.01718	3.8
124.98446	59.9
150.01994	6.3
152.01160	100.0
153.00667	39.3
166.83298	3.8
166.99538	17.9
167.01990	6.5
167.03508	45.7
167.04662	4.7
167.07097	9.2
167.10736	20.1
168.03038	32.7
168.10205	4.2
182.07732	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	167.1078
Annotation	(1alpha,4alpha,7S*)-5-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene
Peak:m/z	Relative Intensity
51.19082	3.4
59.05316	3.3
63.56908	3.4
69.03456	4.3
69.06555	3.5
69.18056	21.9
95.91437	4.0
96.04544	4.1
102.72794	3.8
107.01624	4.2
108.02182	10.5
113.19143	3.7
115.48183	4.0
123.04508	10.0
124.98425	17.6
128.13629	4.4
140.02637	4.5
152.01134	26.8
153.00681	14.6
166.83290	4.3
166.99506	5.9
167.03555	15.2
167.10783	100.0
168.03075	14.4
168.11153	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	169.0142
Annotation	Gallate
Peak:m/z	Relative Intensity
55.01870	0.3
58.69079	0.3
61.60980	0.3
64.06467	0.3
66.20119	0.3
68.99805	2.2
69.03454	5.7
70.35846	0.3
77.69981	0.3
77.96281	0.3
79.01889	1.5
80.99822	0.4
81.03448	4.2
85.00426	0.6
90.35750	0.3
95.01404	0.8
96.95994	0.7
96.99291	0.5
97.02948	5.5
99.00900	0.4
107.01389	1.0
112.84736	0.3
122.89453	0.6
123.00844	0.4
124.01657	1.3
125.02448	100.0
126.02776	2.8
126.68239	0.4
132.85780	0.4
132.86792	9.0
134.86543	25.2
138.22769	0.3
150.97119	0.3
151.00371	1.3
162.51466	0.3
168.99074	1.1
169.01425	34.5
169.83414	3.7
169.86787	1.1
170.01828	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.087
Annotation	Boonein
Peak:m/z	Relative Intensity
52.34617	0.6
55.01870	0.7
57.03447	2.4
59.01384	0.7
67.01904	0.5
68.99812	0.7
69.03458	10.3
69.26433	3.1
71.01376	2.5
75.01073	0.4
81.03462	2.0
83.05033	1.1
85.02972	1.2
95.05043	5.5
97.02970	1.0
97.06572	0.8
98.21941	1.1
99.00893	1.3
107.05013	3.1
113.02450	2.3
118.00313	0.5
121.06586	4.9
123.08167	73.8
123.79247	0.5
124.08509	2.0
125.00956	3.9
125.02477	1.1
125.06120	1.4
125.09740	7.3
126.98901	5.2
141.97609	0.9
150.97081	1.7
151.07712	1.1
168.98102	0.8
168.99904	1.6
169.01434	3.1
169.08707	100.0
170.09059	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	169.1234
Annotation	6-endo-Hydroxycineole
Peak:m/z	Relative Intensity
61.98811	1.4
68.99810	1.4
69.03449	3.3
69.33936	6.3
81.03446	2.4
84.95118	2.3
85.00425	1.8
86.78412	1.0
87.00896	2.5
97.02940	4.4
98.21902	2.6
99.00885	1.2
125.02450	56.6
125.06111	2.0
125.09750	6.6
126.02761	1.6
126.98178	3.1
132.86801	4.2
134.86533	13.7
154.01021	2.0
157.86943	1.3
168.83624	22.4
168.99173	2.0
169.01433	27.2
169.03094	1.4
169.03482	1.3
169.06282	1.9
169.12338	100.0
169.83427	2.3
169.86818	3.3
170.12720	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	171.1027
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
51.82286	1.0
55.01884	1.8
58.02974	2.5
59.01382	7.4
61.98822	2.1
62.20480	1.0
65.01461	1.2
69.79269	1.9
69.79635	2.0
71.01411	1.2
75.69225	1.1
85.02937	1.0
86.00761	1.1
88.98802	1.9
89.02443	6.4
89.44743	1.0
90.33504	0.9
96.96017	2.9
99.00871	3.2
99.92583	2.3
103.01488	2.5
109.06606	1.0
111.00893	1.0
125.09727	2.4
127.07662	9.9
127.11259	5.2
128.90045	3.3
131.51283	1.2
134.86595	7.2
136.86305	7.0
153.09161	1.7
170.83325	18.9
170.88382	3.2
170.99374	1.6
171.01993	32.3
171.10268	100.0
171.83183	1.9
172.10596	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	171.1027
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
55.12357	0.3
58.02977	0.5
58.69119	0.3
69.73306	1.1
78.63181	0.3
81.20457	0.3
87.89253	0.3
94.24065	0.3
96.96004	0.7
99.00892	0.6
99.92575	0.8
123.08119	0.4
125.09721	2.9
127.07635	1.6
127.11291	6.0
134.86551	1.2
136.86281	1.3
153.09198	1.6
170.83362	2.0
171.02003	2.9
171.10265	100.0
171.83165	0.4
172.10608	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	171.1026
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
52.08139	0.6
55.01867	0.9
56.61343	0.6
58.02951	0.9
59.01371	2.7
70.98514	0.8
71.01405	0.6
83.05028	0.7
87.73129	0.7
89.02444	1.9
96.96017	1.3
99.00873	2.0
99.92551	0.9
103.01522	0.8
115.85855	0.6
125.09706	2.6
127.00346	0.7
127.07668	4.5
127.11283	6.2
134.86571	2.9
136.86293	3.4
153.09193	1.2
170.83305	3.6
171.01999	13.2
171.10266	100.0
171.83078	0.9
172.10596	2.4
178.67065	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1027
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
70.19533	0.4
70.50212	0.9
94.06303	0.4
99.08170	0.7
119.71057	0.4
123.08203	0.4
125.09740	2.7
127.07643	0.9
127.11286	7.3
153.09193	1.5
154.13028	0.4
159.42819	0.5
171.02049	2.2
171.10266	100.0
172.10571	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.009
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
54.68650	0.3
55.01864	0.9
57.03449	0.4
59.01347	0.6
67.01891	2.9
68.99800	0.4
70.79559	0.4
71.01379	7.7
72.99309	1.9
73.02940	1.1
83.01374	2.2
85.02949	100.0
86.03275	2.1
87.00871	0.8
93.03455	0.7
99.00881	4.4
101.02434	2.0
111.00880	45.0
111.04439	0.6
112.01228	1.0
112.98801	2.0
124.98802	1.8
128.07213	0.3
129.01942	18.3
130.02292	0.4
135.32806	0.3
142.99843	4.4
154.99872	4.6
155.03516	0.5
160.18208	0.3
173.00883	5.2
173.04457	0.3
174.07652	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.009
Annotation	Dehydroerythorbic acid
Peak:m/z	Relative Intensity
53.00308	2.2
53.01542	0.8
55.01869	6.0
56.07383	0.9
56.12247	0.8
57.03434	4.1
59.01383	7.0
67.01880	5.0
68.99800	1.9
70.58886	1.3
71.01377	100.0
72.01693	1.7
72.99306	10.3
73.02942	9.2
80.99779	1.0
83.01382	10.7
84.96687	0.9
85.02945	20.2
87.00885	5.9
91.72012	0.8
93.03449	3.0
96.99300	3.1
99.00876	43.2
101.02454	4.1
111.00875	61.8
111.04459	1.3
112.01241	1.2
112.98808	37.2
115.00361	5.4
117.00435	1.3
124.98793	24.1
128.07187	2.1
129.01932	5.9
129.05598	1.1
142.99857	56.8
148.91951	0.9
154.99864	8.6
173.00893	17.3
173.09253	1.3
174.07762	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	175.0248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15914	4.1
56.04068	3.2
56.27486	4.1
59.01378	100.0
68.99803	4.7
70.41416	6.4
71.01384	17.9
72.99310	6.2
73.65743	3.5
75.00867	5.5
79.13134	3.1
85.02913	6.0
87.00864	14.3
96.99313	4.6
100.98805	84.7
104.60538	3.6
105.43393	4.0
115.00359	21.3
124.98795	8.1
127.97526	65.5
132.98218	23.5
135.04486	4.8
140.67194	3.8
142.99812	8.0
148.98592	6.3
174.99268	8.8
175.02458	11.4
179.03421	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	175.0247
Annotation	2-Hydroxy-3-oxoadipate
Peak:m/z	Relative Intensity
53.22149	1.0
55.01873	3.5
57.03170	1.0
57.03445	15.0
59.01376	18.9
67.01881	2.7
69.03455	18.1
69.65594	0.7
71.01377	21.0
72.56652	0.8
72.99306	75.9
73.02943	70.6
74.03275	1.2
81.03452	2.1
83.01385	18.4
83.05014	1.9
85.02949	66.5
87.00868	5.7
87.03358	1.0
87.16563	0.8
95.01384	17.7
95.05020	4.7
96.99326	5.4
97.13197	0.8
98.00092	2.0
99.00879	35.5
100.01238	1.1
101.02435	15.3
103.00370	1.5
103.03996	1.5
111.00876	2.4
111.04520	20.5
113.02446	82.4
114.02789	1.6
115.00395	6.4
127.00367	5.7
129.01947	3.4
131.03513	15.5
132.03984	1.0
145.01431	1.3
146.02180	0.8
155.03511	4.2
157.01422	20.0
157.05035	2.3
173.04564	0.9
175.02563	12.4
175.06108	100.0
176.06421	2.6
183.07343	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0611
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
56.20928	0.6
56.93437	0.5
59.01374	7.3
69.54002	2.3
71.01377	1.1
71.05019	1.2
85.06587	44.1
86.06940	1.0
87.00909	0.7
87.04499	1.0
111.96258	0.5
112.59609	0.6
113.06089	40.8
114.06416	0.6
115.04010	100.0
116.04356	1.6
123.42609	0.5
129.05579	1.7
131.07152	8.7
132.98210	1.4
135.04553	2.4
135.05475	0.5
157.05064	9.5
175.06108	58.7
176.06438	1.4
179.03502	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	176.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.0
59.01381	5.6
66.35619	0.7
67.01886	5.3
67.92526	0.8
69.03473	1.5
71.01385	2.4
75.00873	0.9
77.03959	3.3
78.97948	0.7
81.03448	3.7
83.05045	4.1
85.02940	7.9
87.00872	8.1
87.60970	0.9
89.02460	1.1
89.03972	2.4
93.03458	22.6
93.95326	0.8
95.05040	6.3
95.46355	0.8
96.37152	0.8
99.00870	1.1
99.04556	1.1
105.03462	12.3
107.05057	1.3
108.02187	3.5
109.02956	8.7
111.04528	6.0
114.88421	0.8
119.05035	1.0
127.03985	1.4
129.01932	4.7
131.70184	0.7
133.02959	41.0
134.03749	6.3
135.04527	100.0
136.04839	5.7
137.02440	1.9
148.03760	0.8
149.02422	1.3
149.06097	1.3
155.03511	1.8
159.04475	1.1
161.02464	2.5
162.03224	3.0
173.04570	2.2
176.04007	14.4
176.54216	1.0
177.01910	7.5
177.05568	2.3
177.09256	1.1
179.03491	76.6
180.03854	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	177.0193
Annotation	Esculetin
Peak:m/z	Relative Intensity
59.01373	0.3
63.02398	1.7
65.00325	1.5
65.03955	0.3
67.01881	0.8
67.81590	0.2
68.99812	0.4
71.01363	0.3
77.03961	0.4
89.00335	0.6
89.03967	3.4
91.01896	3.1
92.04852	0.2
95.05021	0.8
98.21841	0.3
105.03456	1.3
107.01381	1.8
109.02950	2.4
115.26107	0.2
121.02975	0.9
123.04505	0.8
133.02960	6.3
134.03340	0.2
135.00871	2.3
135.04501	0.2
147.00769	0.2
149.02458	1.0
162.03210	0.9
177.01927	100.0
178.02261	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	177.0192
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.89535	0.2
54.48762	0.2
59.01384	1.7
65.00325	0.3
69.16422	0.8
69.16833	0.6
71.01349	0.6
77.03975	2.0
81.03447	2.4
85.02935	0.3
87.00881	0.6
89.03970	7.3
89.91509	0.2
93.03463	1.5
95.05027	3.0
98.22623	0.4
99.00880	0.5
99.18571	0.2
105.03460	19.0
106.03812	0.7
107.01388	0.6
109.02952	0.5
118.57385	0.3
121.02992	1.2
123.04514	0.8
132.02223	0.3
133.02959	39.7
134.03337	1.0
139.04050	0.5
147.04546	0.3
149.02438	3.1
149.06044	0.4
162.03215	1.8
177.01927	100.0
178.02255	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	177.0557
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.74284	0.2
58.89643	0.2
59.01384	0.5
61.49782	0.3
64.97618	0.2
69.33472	0.7
69.33875	0.4
74.03096	0.2
76.09987	0.2
85.55212	0.3
93.03465	0.4
98.22582	0.5
105.03462	0.7
117.03468	30.8
118.04259	25.7
118.05151	0.2
119.04579	0.7
121.02959	12.3
122.03335	0.2
123.04531	4.2
125.61855	0.3
133.02959	3.1
134.03720	0.9
135.68510	0.3
145.02956	48.0
146.03284	1.4
162.03227	9.4
163.03430	0.3
177.05569	100.0
178.05917	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	178.9506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17553	0.2
52.93969	0.2
52.98981	0.2
53.50819	0.2
55.29136	0.3
59.01381	0.4
69.91961	0.5
69.92293	0.3
71.01365	0.3
95.95207	0.3
119.93718	4.9
120.93813	0.2
134.96086	43.5
135.96167	2.4
136.94006	100.0
137.94084	5.3
138.94350	0.3
151.92712	10.7
152.92798	0.7
164.88013	0.2
178.95055	73.1
179.95148	3.8
196.96143	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74016	0.3
59.01381	9.1
61.43317	0.4
69.03455	0.5
69.70022	1.3
71.01385	7.4
73.02948	1.3
83.01385	0.5
85.02953	1.7
87.00877	6.6
89.02431	3.1
91.05530	0.9
92.13628	0.4
93.03437	0.4
97.02947	0.8
99.00885	1.4
101.02457	1.2
101.76205	0.3
103.09514	0.3
107.01424	0.6
107.05022	2.5
109.02978	0.6
113.02451	0.9
117.01943	1.5
117.03456	0.6
121.02969	1.8
125.02444	0.9
126.19075	0.4
134.03743	7.6
135.04529	100.0
136.04866	3.0
141.01903	0.9
151.07736	0.4
161.04553	4.0
179.03514	17.6
179.05594	3.9
179.07083	0.9
179.10738	0.6
180.03778	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03324	0.2
59.01374	1.7
66.25967	0.2
69.41708	0.5
71.01382	1.0
73.02982	0.2
85.02965	0.3
86.85291	0.2
87.00900	0.9
87.66943	0.2
88.55676	0.2
89.02456	0.7
90.95769	0.2
91.05554	0.3
93.03490	0.2
98.22640	0.3
99.00881	0.3
106.04277	0.3
107.05029	1.6
109.02982	0.2
113.02446	0.2
117.03486	0.6
134.02702	0.3
134.03743	5.0
135.04529	100.0
136.04851	2.6
145.70638	0.2
153.14304	0.2
158.16664	0.2
161.04565	0.8
173.59341	0.2
179.03508	19.3
179.05537	0.9
180.03842	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03477	0.2
59.01377	5.3
69.03461	0.2
69.27809	0.9
70.66845	0.2
71.01382	3.5
73.02950	0.7
76.45049	0.2
83.01385	0.4
85.02946	1.0
87.00880	4.0
87.01382	0.4
89.02447	1.6
89.03996	0.3
90.40168	0.2
91.05538	0.4
93.03479	0.3
97.02956	0.4
99.00896	0.8
101.02446	1.1
105.03488	0.2
107.05033	1.9
108.02170	0.4
109.02969	0.6
113.02483	0.4
114.39789	0.2
115.61034	0.2
117.01944	0.6
117.03467	0.5
121.02969	0.2
125.02437	0.5
131.80345	0.2
131.87830	0.2
133.02972	0.4
134.02708	0.2
134.03746	6.0
135.04524	100.0
136.01749	0.2
136.04857	3.1
146.03735	0.4
151.04005	0.3
161.04553	2.7
161.05881	0.3
164.01222	0.2
164.04749	0.5
179.03499	19.7
179.05496	2.6
180.03856	0.6
184.15958	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.035
Annotation	Aspirin
Peak:m/z	Relative Intensity
50.98645	0.4
58.22251	0.4
59.01381	14.4
68.87840	0.4
71.01389	8.8
73.02972	0.8
85.02949	1.8
87.00869	5.8
89.02465	4.3
91.05536	45.6
92.05875	1.1
94.67361	0.4
96.36966	0.5
97.02922	0.6
99.00880	1.2
101.02435	1.4
107.05036	0.6
113.02440	1.1
117.01931	0.7
119.05010	1.8
123.04454	0.5
125.02439	0.6
135.04532	100.0
136.04886	2.8
141.01926	0.4
147.04524	2.1
150.05630	0.8
161.04582	3.8
164.01122	0.9
179.03503	10.6
179.05688	3.9
179.07164	1.5
181.43300	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0561
Annotation	muco-Inositol
Peak:m/z	Relative Intensity
50.26810	0.9
55.01868	2.6
57.03437	3.3
59.01380	37.0
67.88261	1.0
68.82970	1.0
69.03462	5.1
69.66711	1.1
70.29078	2.2
70.29440	1.0
71.01379	31.5
72.99308	1.9
73.02951	13.8
75.00872	9.3
77.94150	0.9
78.95892	2.8
79.01902	1.5
81.03454	4.4
83.01388	6.7
85.02534	0.6
85.02951	30.8
87.00878	100.0
88.01216	1.2
89.02442	14.1
95.01379	2.7
96.96979	1.2
97.02960	10.2
99.00883	26.2
101.02446	13.9
105.01921	1.5
107.01359	1.0
111.00860	1.7
113.02459	5.4
117.01945	19.7
120.51144	1.0
123.00819	1.2
124.76320	0.9
125.02452	11.2
131.03513	3.4
136.94011	2.2
141.01933	8.8
143.03505	1.8
147.02962	1.0
159.02974	6.4
161.04561	69.8
177.04033	4.2
179.05609	91.1
180.06113	1.9
190.15179	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0561
Annotation	1L-chiro-Inositol
Peak:m/z	Relative Intensity
55.01870	4.4
57.03447	1.9
58.00591	2.6
59.01378	86.8
69.03448	6.0
70.19805	2.9
71.01381	60.4
72.99320	2.3
73.02946	13.5
75.00870	23.3
80.64662	1.3
81.03447	4.3
83.01384	6.5
83.80215	1.5
85.02942	25.5
87.00875	100.0
89.02444	27.0
95.01391	3.7
97.02942	8.7
99.00878	29.3
101.02453	14.7
113.02470	8.7
117.01931	15.6
125.02416	10.5
129.01921	2.6
135.04533	3.4
141.01930	7.4
143.03508	4.5
159.02980	4.0
161.04564	57.4
177.04094	3.5
179.05611	81.1
180.05913	3.4
192.29681	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	181.087
Annotation	2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate
Peak:m/z	Relative Intensity
56.81660	3.2
58.06617	3.3
59.01381	65.5
59.08428	3.1
65.00317	9.5
69.03455	100.0
71.01382	17.3
73.02949	3.1
80.62955	3.2
83.05045	24.2
84.91762	3.5
88.01230	3.4
89.02444	7.4
91.05533	9.7
93.03444	14.3
95.05023	10.5
100.62326	3.2
101.02461	16.3
107.05044	6.6
108.05813	11.3
109.06585	19.1
110.04805	3.3
110.65933	3.0
114.66732	3.1
119.05024	5.5
119.08672	9.6
121.06633	4.6
123.00893	8.4
134.71945	3.3
135.08144	8.9
137.02457	7.3
137.06120	4.0
137.09724	95.9
139.54118	3.3
151.00391	43.0
152.64796	3.8
153.09238	5.0
163.07669	21.1
163.11272	8.9
166.02724	58.0
168.03001	15.5
181.01433	4.8
181.03056	3.1
181.05072	12.5
181.07159	12.4
181.08719	28.4
181.12331	64.5
182.04578	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	181.1233
Annotation	1-Methoxy-3-myodesertene
Peak:m/z	Relative Intensity
55.01869	0.6
57.03433	1.1
59.01388	3.7
61.98815	1.4
65.00327	3.1
65.99836	0.5
69.03452	2.2
69.08469	1.7
69.08875	1.3
71.01374	3.5
71.05016	1.4
73.02943	2.0
74.82443	0.4
74.97804	0.4
80.63226	0.5
83.05009	1.3
84.02164	1.8
85.02952	0.6
89.02445	2.2
90.23164	0.4
93.03459	2.8
95.05035	0.7
96.96008	3.0
97.02961	2.4
97.06580	2.0
98.03748	0.9
98.21885	1.1
101.02442	2.8
109.02931	0.6
109.06561	0.6
110.03732	0.5
111.08164	0.6
123.00878	0.9
123.08150	1.1
125.09722	9.9
135.08177	0.7
136.98767	0.9
137.02438	1.4
137.09668	0.6
137.52646	0.5
139.03961	0.5
143.86519	2.1
145.10229	0.9
145.86189	0.8
151.00377	4.1
151.11281	3.2
152.98293	0.5
153.12851	9.7
161.09723	1.6
161.87572	1.0
163.11288	10.7
163.87309	0.4
166.02727	5.7
168.03044	1.5
179.10789	6.5
180.85898	4.7
181.01407	1.2
181.05083	1.3
181.07234	3.0
181.12338	100.0
181.83946	1.1
181.92979	1.9
182.04504	1.2
182.12680	3.8
197.03696	0.5
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	1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
Peak:m/z	Relative Intensity
59.01381	1.8
61.14353	0.3
67.76017	0.3
69.03458	2.4
69.71425	1.1
71.01380	0.3
79.76102	0.3
83.05013	1.2
85.06608	0.4
109.06583	2.2
111.00877	0.4
111.08164	0.9
121.10218	0.4
123.08152	0.4
127.07643	1.8
137.09746	2.2
139.07684	2.3
139.11287	14.1
140.11632	0.4
152.31772	0.3
155.10782	18.7
156.11089	0.5
165.09189	2.5
183.00536	0.6
183.10254	100.0
184.10574	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.139
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
57.03417	0.4
59.01368	0.5
61.38994	0.3
63.83485	0.3
66.07113	0.3
67.01866	0.5
68.99567	0.8
69.03444	0.8
70.19350	0.7
71.39747	0.3
92.51180	0.3
94.23117	0.3
95.05003	0.4
111.00889	0.9
112.98613	1.3
123.05657	0.3
139.00323	0.6
139.11235	0.7
155.10728	0.4
164.98273	0.5
165.01917	0.3
167.99364	0.7
168.00635	0.7
176.12428	0.4
183.00502	1.3
183.10510	4.3
183.13895	100.0
184.00983	0.4
184.10638	0.3
184.14249	3.2
200.98125	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1391
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
57.03444	0.4
67.01902	0.6
68.99571	1.2
69.03486	0.4
69.22301	1.4
83.12225	0.4
85.02979	0.4
89.31047	0.4
95.01408	0.5
102.44717	0.3
111.00908	1.0
112.04078	0.5
112.98570	1.3
118.60002	0.3
123.04603	0.4
137.02475	0.6
139.00349	0.3
139.11281	0.6
155.10771	0.6
157.35217	0.3
159.84993	0.4
167.99373	1.2
182.85851	0.4
183.00482	1.0
183.03053	0.6
183.10532	3.6
183.13899	100.0
184.00954	0.7
184.14235	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	184.0101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	13.0
68.06445	3.7
69.63975	7.5
69.64336	8.7
70.63931	3.7
84.14711	4.6
85.93420	3.7
129.68558	3.5
140.02014	31.1
141.99936	8.1
145.68765	3.9
148.51852	3.9
180.92000	3.6
184.01007	100.0
197.04022	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	184.0102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	13.7
59.93545	4.2
69.72692	12.9
98.22614	4.2
105.34896	3.9
140.02042	40.7
141.99956	7.9
182.21689	4.1
184.01028	100.0
185.01060	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	185.1183
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
57.65412	0.4
59.01373	2.0
59.19698	0.5
64.74026	0.4
65.92366	0.4
66.74736	0.4
69.09198	2.8
75.78582	0.5
77.40408	0.4
85.12041	0.4
92.99804	1.4
98.22735	0.8
105.22107	0.4
125.02444	7.3
139.11276	1.6
141.09267	0.6
141.12842	0.8
144.35139	0.4
149.09695	1.4
153.01926	1.3
155.10774	8.7
163.85214	0.5
167.10774	19.6
183.10242	1.0
185.00983	0.8
185.04564	4.8
185.11826	100.0
186.12190	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	187.0976
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
50.38905	0.3
54.78432	0.3
55.79837	0.3
57.03447	2.9
59.01357	0.4
62.21119	0.4
69.03472	0.6
70.07166	0.7
70.07484	0.5
95.05047	0.4
97.06589	12.1
97.94989	0.4
98.21960	0.5
98.73142	0.4
123.08147	5.5
125.09722	100.0
126.10052	1.9
143.10773	2.1
146.54065	0.4
169.08711	2.6
179.19727	0.3
187.09749	50.9
188.10114	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0769
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
57.03438	2.2
59.01369	2.4
67.63280	0.5
83.05000	1.1
83.76391	0.6
85.06573	0.6
99.08157	23.1
104.71444	0.5
126.85048	0.4
127.07657	26.3
128.08000	0.6
129.05582	100.0
130.05908	1.7
145.08710	3.7
160.97539	0.5
162.95961	0.5
171.06648	5.5
188.90863	0.5
189.03090	1.4
189.07684	46.7
190.08023	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	(2S,3R)-2,3-Dihydroxy-5-oxohexanedioate
Peak:m/z	Relative Intensity
56.01682	0.4
57.03450	4.8
59.01381	1.7
62.03252	0.4
67.01887	3.3
67.07469	0.4
69.23394	2.4
71.01379	0.8
72.99309	3.7
73.02948	4.0
75.02417	0.5
77.12818	0.4
83.01374	0.6
85.02952	37.6
87.00878	39.3
88.72289	0.5
91.01890	0.8
93.02958	0.5
93.03441	3.1
99.00864	0.6
101.02443	1.2
103.03966	0.5
109.02943	0.5
111.00883	100.0
111.04489	1.0
112.01221	1.5
117.01941	3.4
119.01368	1.5
121.02954	1.1
127.04001	1.3
129.01949	7.6
145.86317	0.8
147.00882	2.5
147.04584	0.6
154.99898	3.7
163.00386	1.8
165.01942	0.8
173.00922	6.1
173.04520	0.7
191.00128	1.0
191.02005	13.4
191.05611	37.8
192.05995	0.9
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	(2S,3R)-2,3-Dihydroxy-5-oxohexanedioate
Peak:m/z	Relative Intensity
57.03453	4.9
59.01374	3.4
60.61684	0.4
60.91114	0.5
67.01888	4.5
68.38755	0.5
70.30460	1.0
71.01382	3.3
72.99310	11.2
73.02944	14.8
81.03436	0.6
83.01391	1.8
85.02949	51.3
86.03236	0.5
87.00877	25.4
93.03455	6.0
99.00871	4.9
99.04518	0.9
101.02402	2.8
102.90151	0.5
103.03995	0.7
109.02963	1.7
111.00880	100.0
111.04524	1.8
112.01228	2.1
112.98801	1.6
117.01942	13.1
123.18060	0.5
127.04003	4.0
129.01945	10.7
154.99870	11.5
155.03412	0.5
171.02998	1.1
173.00911	15.4
173.04541	2.0
191.01991	17.6
191.05605	92.4
192.06013	2.0
202.74767	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80365	0.6
51.94755	0.5
57.03446	5.2
59.01375	4.6
62.11610	0.6
67.01883	4.7
69.03465	0.9
70.61237	1.1
71.01387	2.7
72.99304	5.7
73.02938	8.5
76.86121	0.5
81.03439	1.5
83.01384	0.9
83.05011	0.9
85.02948	51.3
86.03251	0.5
87.00871	34.6
93.03452	6.8
99.00884	1.7
99.04500	0.7
101.02448	1.8
103.04022	0.7
109.02922	1.8
111.00878	94.4
111.04540	1.8
112.01212	1.7
117.01936	7.0
127.04024	4.8
129.01942	8.2
137.02362	0.6
154.99873	5.9
155.03539	0.8
158.94229	0.5
171.03006	1.6
171.04453	0.5
173.00917	7.9
173.04553	2.4
191.02020	14.1
191.05614	100.0
192.05984	2.5
195.39320	0.5
207.39333	0.7
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
54.97759	0.4
57.03456	3.1
59.01378	4.2
64.66196	0.4
67.01887	3.1
69.03454	0.7
69.40070	0.4
70.55556	0.6
70.55868	0.5
71.01382	2.7
72.99313	2.8
73.02944	4.7
79.21154	0.4
81.03456	1.0
83.01395	0.6
83.05032	1.3
85.02952	39.2
86.03299	0.7
87.00878	24.4
93.03463	6.5
99.00877	1.6
99.04512	0.6
101.02441	0.9
109.02954	1.6
111.00884	55.1
111.04485	2.0
112.01244	1.1
117.01938	3.2
127.04008	4.4
129.01956	4.1
130.99869	0.4
154.99852	2.8
155.03470	0.7
169.00331	0.5
171.03029	1.2
173.00919	4.0
173.03210	0.4
173.04584	1.5
191.02034	7.8
191.05617	100.0
192.05986	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	191.0349
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03445	0.6
58.95904	0.2
59.01369	1.1
59.98369	0.2
64.80904	0.2
67.01884	0.4
71.43761	0.4
73.02938	0.9
77.03958	0.4
78.97204	0.3
85.02953	4.6
87.00880	3.7
93.03449	0.4
95.88505	0.2
107.87492	0.2
111.00880	11.0
117.01932	0.4
118.99309	0.4
119.05048	1.1
121.02957	100.0
122.03289	1.6
129.01933	1.1
147.04524	5.6
154.99727	0.3
173.00914	0.7
185.64659	0.3
191.01947	1.3
191.03534	7.3
191.05621	6.1
192.05717	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.056
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03443	0.4
59.01375	3.1
67.01870	0.9
69.03447	0.6
69.31000	0.7
69.31391	0.4
71.01060	0.2
71.01394	1.8
73.02924	0.6
73.65694	0.2
81.03445	0.8
83.05022	0.9
85.02945	19.8
86.03265	0.4
87.00874	3.6
88.71391	0.2
93.03455	6.5
99.04510	0.8
109.02954	1.1
110.34117	0.2
111.00868	0.9
111.04517	2.0
127.03110	0.4
127.03996	4.9
155.03471	0.4
171.03015	1.1
173.04541	2.0
191.05597	100.0
192.05945	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	191.0563
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
51.64733	0.0
55.01866	0.1
57.03445	0.8
58.00596	0.1
59.01376	3.7
60.01747	0.0
60.99303	0.2
65.03961	0.1
67.01886	1.1
68.99814	0.0
69.03453	0.7
70.50323	0.0
71.01379	2.4
71.05029	0.1
72.99304	0.9
73.02943	1.9
75.00886	0.0
81.03456	1.0
83.01389	0.4
83.05027	1.1
84.02152	0.0
84.05390	0.0
85.02950	25.2
86.03278	0.3
87.00873	6.4
88.01213	0.1
88.65469	0.0
89.02446	0.1
93.03456	7.8
94.03780	0.1
95.01382	0.2
96.02180	0.1
97.02939	0.2
98.06226	0.0
99.00874	0.6
99.04517	1.0
101.02443	0.6
103.03990	0.1
108.01542	0.0
108.02176	0.2
109.02953	2.1
110.03272	0.0
111.00880	4.8
111.04515	2.6
112.01202	0.1
112.04895	0.1
113.02443	0.4
115.00467	0.0
115.03993	0.1
117.01941	0.9
118.02283	0.0
125.02471	0.2
127.04010	5.1
128.04335	0.1
129.01949	0.6
129.05580	0.1
137.02449	0.3
143.03493	0.2
145.05075	0.1
147.02968	0.0
153.01917	0.2
154.99864	0.7
155.03490	0.4
157.05026	0.0
171.02994	1.3
173.00912	0.9
173.04539	2.1
174.04886	0.1
189.04001	0.1
191.05600	100.0
192.05940	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.5
58.11982	0.2
59.01382	3.3
60.99323	0.3
62.97987	0.3
67.01888	2.2
69.03443	0.5
70.62756	0.4
71.01364	1.9
72.99302	2.6
73.02943	3.5
81.03460	0.7
83.01380	0.5
83.05029	0.9
85.02948	30.3
87.00876	15.6
93.03453	6.5
97.02940	0.3
99.00874	0.8
99.04527	0.6
101.02407	0.9
108.02271	0.3
109.02969	1.8
111.00879	35.6
111.04539	1.8
112.01209	0.7
117.01947	2.6
127.04016	3.7
129.01927	3.8
149.98218	0.3
152.46271	0.3
153.01959	0.3
154.99870	2.5
168.26186	0.3
171.01648	0.3
171.03004	1.1
173.00911	3.7
173.04503	1.8
191.02046	5.9
191.05605	100.0
192.05922	2.7
212.57835	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.056
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03450	0.9
59.01378	3.4
67.01880	1.0
69.03450	0.8
69.26225	0.9
71.01379	1.7
72.99300	0.3
73.02928	1.1
76.88662	0.1
81.03472	1.0
83.01396	0.2
83.05041	0.9
85.02948	22.9
86.03291	0.3
87.00876	6.4
93.03456	6.6
97.02932	0.3
99.00911	0.2
99.04532	0.9
101.02444	0.3
108.02151	0.2
109.02952	1.6
111.00880	8.2
111.04519	1.9
112.01154	0.2
113.02448	0.3
117.02000	0.2
125.02471	0.2
127.04008	4.6
129.01941	0.7
136.93065	0.2
137.02423	0.3
154.99815	0.4
155.03525	0.3
171.03026	1.0
171.04308	0.2
173.00906	0.6
173.04556	1.7
191.05608	100.0
192.05943	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	191.056
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
57.03441	1.9
59.01381	4.7
67.01892	1.7
69.03442	0.7
69.35902	1.2
71.01382	1.9
71.53500	0.3
72.99308	1.4
73.02948	2.6
81.03448	0.7
82.37921	0.3
83.01382	0.4
83.05006	1.1
83.52139	0.3
85.02953	27.6
86.03297	0.5
87.00877	15.8
90.64503	0.3
93.03457	5.8
93.33454	0.3
99.00880	0.7
99.04507	0.8
101.02402	0.6
109.02959	1.6
111.00888	29.8
111.04511	2.0
117.01946	1.2
127.04008	4.5
129.01935	2.1
147.02980	0.5
154.99847	1.2
171.02995	1.2
173.00903	1.8
173.04570	2.1
191.02092	4.4
191.05624	100.0
192.05910	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	193.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19234	0.2
70.62022	0.5
89.03963	3.8
106.04257	0.8
117.03462	7.6
121.02950	0.6
133.02968	1.9
134.03745	100.0
135.04070	2.5
137.02458	3.4
139.04042	1.2
149.06087	10.2
150.03246	0.4
150.06361	0.3
163.00610	0.3
178.02715	20.9
179.03000	0.5
193.05052	17.5
194.05432	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0506
Annotation	Scytalone
Peak:m/z	Relative Intensity
51.90963	0.4
63.83694	0.4
66.87110	0.4
69.36343	1.8
74.58767	0.4
78.08115	0.3
105.83394	0.4
106.04228	0.5
121.02980	1.0
133.01906	0.5
133.02950	15.9
134.03746	34.9
135.04169	0.6
137.02438	7.1
139.03033	0.4
139.04031	1.7
146.16837	0.5
150.03220	0.4
150.84738	0.4
161.02448	27.6
162.02820	0.6
178.02707	3.8
193.05055	100.0
194.05432	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	194.0458
Annotation	2-Carboxy-2,3-dihydro-5,6-dihydroxyindole
Peak:m/z	Relative Intensity
62.90805	0.6
65.99854	1.6
68.99821	9.9
70.47777	1.0
78.95934	0.5
79.11071	0.5
80.05058	37.4
81.03455	0.6
96.96008	1.4
104.05061	7.0
108.04543	3.4
110.02446	0.6
113.02124	0.5
122.06119	11.9
122.06984	0.4
123.86685	0.6
132.04552	88.3
133.04884	1.3
136.01611	0.9
150.05606	100.0
151.06033	2.5
152.91774	2.5
152.94539	0.6
158.84683	3.6
165.05502	0.8
176.03453	1.0
179.02260	2.3
193.81563	2.3
194.04572	55.6
194.92834	1.0
195.04858	1.4
195.06506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0508
Annotation	D-Galactonate
Peak:m/z	Relative Intensity
57.03457	6.5
58.79875	1.2
59.01376	31.9
66.11079	1.2
69.03426	1.2
71.01385	15.2
72.99290	5.0
73.02947	2.2
75.00871	64.8
76.17762	1.2
80.96518	4.2
83.01397	3.1
85.02939	9.2
87.00874	78.8
87.04555	1.4
89.00615	1.4
89.02435	15.4
93.40199	1.2
99.00877	15.9
101.02437	4.4
105.01932	100.0
107.01733	7.1
107.05057	1.5
108.02150	1.3
111.00882	7.8
113.02468	1.3
129.01939	48.9
131.03494	1.8
136.01657	24.5
140.73839	1.2
141.01848	1.3
147.02988	41.9
149.04535	1.5
151.03979	4.4
159.02979	4.6
165.01924	2.1
165.04022	3.6
175.64494	1.2
177.04042	30.4
180.00584	2.1
180.04379	1.3
195.03151	11.5
195.05069	97.5
196.05481	2.1
206.32326	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	195.1025
Annotation	(+)-Isololiolide
Peak:m/z	Relative Intensity
51.22466	1.2
57.03438	5.2
59.01377	18.8
67.01871	1.1
69.03452	100.0
70.03790	1.1
71.01393	2.5
79.29575	1.0
81.03455	1.8
83.05030	8.4
86.12183	1.3
93.03458	6.9
95.05030	8.5
97.02954	1.6
97.06583	8.2
107.08662	1.5
108.05802	3.7
121.06586	2.2
121.10232	1.3
123.08138	2.1
125.06051	1.9
133.10258	6.0
139.07620	1.2
149.09724	7.5
150.03203	3.6
151.11273	53.5
152.91754	2.0
159.08157	8.7
167.10742	15.3
177.09190	35.3
194.90569	2.0
194.92729	1.9
195.10246	76.4
196.10571	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	195.1389
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
54.15517	0.3
54.73871	0.2
59.01376	3.5
69.03460	0.3
69.55668	1.0
70.16695	0.3
76.57490	0.3
86.44780	0.2
92.61886	0.3
96.95995	0.3
98.22704	0.3
115.84184	0.3
121.10177	0.3
139.51833	0.3
150.03210	1.2
158.85965	0.3
160.84222	8.6
165.05548	0.8
166.90837	0.4
176.89433	0.3
177.12857	3.4
180.04222	0.5
194.92932	0.4
195.13895	100.0
195.81094	4.0
196.14272	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	195.1391
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
55.61086	0.3
69.96624	0.6
75.63517	0.3
81.75694	0.2
98.21986	0.4
109.06592	4.1
111.08172	3.5
111.10344	0.3
122.03722	0.4
123.85535	0.2
125.09719	0.9
135.11760	0.4
138.06883	2.7
150.03235	0.6
151.11237	0.7
152.91684	0.4
153.26299	0.3
160.84222	11.3
165.12830	0.3
167.14410	6.5
179.10764	4.9
195.13898	100.0
195.81088	5.1
196.14209	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	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01374	0.6
61.39212	0.2
69.03454	1.7
69.48262	0.6
69.48653	0.4
76.69160	0.2
81.03448	0.2
83.05030	0.9
97.06615	0.4
99.08199	0.3
123.08157	0.3
141.09210	1.1
150.35951	0.2
151.11250	0.8
153.09227	1.0
153.12852	3.8
158.93741	0.3
160.84235	2.3
161.84169	0.3
162.83911	5.9
167.99335	0.3
169.12344	17.4
170.12746	0.4
179.10733	1.4
182.02267	0.4
183.01631	0.4
197.11833	100.0
197.80824	3.0
198.12166	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	197.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.8
69.03461	1.5
69.62362	0.8
69.62750	0.5
72.19568	0.2
83.05029	1.1
106.18733	0.2
121.02959	0.2
123.00891	0.3
123.08202	0.4
125.09740	0.3
125.74960	0.2
126.90512	0.6
141.09186	1.0
151.11282	0.7
153.09236	1.2
153.12845	3.9
160.84218	4.9
161.84137	0.5
162.83919	13.1
166.99869	0.4
167.99382	0.6
169.12337	15.7
170.12631	0.4
179.10770	1.5
182.02213	1.1
183.01738	0.7
195.87294	0.2
197.11823	100.0
197.80794	11.1
197.82649	0.5
198.03925	0.3
198.12173	2.5
209.46686	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.58986	0.2
59.01376	0.4
69.03451	1.7
69.51370	0.4
69.51739	0.8
78.70259	0.2
83.05022	1.1
84.97969	0.2
97.06565	0.3
107.06144	0.3
123.00890	0.5
123.08183	0.3
126.90552	0.3
141.09235	0.7
151.11284	0.9
153.09229	1.4
153.12869	3.0
160.84213	0.2
162.83875	0.5
166.99765	0.3
167.99394	0.5
169.12338	16.0
170.12704	0.4
179.10698	1.8
182.02205	0.9
183.01706	0.9
197.11826	100.0
197.80843	0.3
198.12170	2.8
203.28630	0.2
210.69803	0.3
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	Unknow
Peak:m/z	Relative Intensity
50.09104	0.8
52.34259	0.9
57.26385	0.8
61.98816	1.2
69.03451	1.9
95.01351	1.0
107.06123	0.9
109.15705	0.7
116.92857	1.1
121.02945	1.2
123.00892	5.1
125.06076	0.9
126.90520	6.2
138.03221	1.9
141.09209	1.1
143.96072	0.8
153.05563	1.3
153.09174	2.3
153.12846	5.0
160.84216	38.7
161.84218	5.6
162.83914	100.0
166.99890	4.1
167.99371	6.7
169.12357	12.9
178.99918	1.1
179.10706	2.0
180.85724	1.0
182.02161	10.0
183.01718	9.8
196.81131	2.6
196.91098	1.1
197.02184	1.1
197.04619	1.7
197.11827	90.4
197.80792	49.2
198.04086	2.1
198.12259	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	199.0975
Annotation	Stagonolide C
Peak:m/z	Relative Intensity
55.01850	0.6
57.03444	1.0
59.01380	59.4
69.24171	2.2
69.24580	1.7
70.06743	0.7
71.05023	1.4
78.74913	0.7
80.02683	4.6
81.03456	5.3
83.01392	1.2
83.05028	75.0
84.02170	10.2
84.05351	0.7
85.02943	1.1
95.05015	1.9
96.93604	0.6
97.06569	1.5
101.02470	0.7
107.05044	1.0
107.53123	0.7
109.06598	11.5
135.08176	24.6
137.09731	9.6
162.47577	0.7
163.07700	4.6
181.08708	100.0
182.09042	2.6
199.09760	2.3
219.42664	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0976
Annotation	Decarestrictin J
Peak:m/z	Relative Intensity
52.39243	1.4
55.69223	1.4
58.00612	7.9
59.01367	5.5
59.18998	1.8
60.93217	1.6
61.98825	5.6
67.01879	1.8
69.03448	2.8
69.59210	6.5
71.01373	3.4
72.99300	1.8
73.02936	27.4
83.01377	3.1
83.05022	2.9
84.02161	3.1
85.02954	2.0
97.06567	5.2
99.00877	6.2
99.08169	2.9
109.06543	2.1
111.00887	4.6
123.08143	3.0
125.06101	8.6
125.09733	15.9
127.00359	5.7
127.11275	9.6
127.93167	14.5
135.08173	2.9
137.09715	13.1
139.93179	3.7
141.09251	3.2
143.10779	3.3
151.07654	3.1
153.09190	6.3
154.95483	13.0
155.10780	7.4
155.87160	3.5
161.84213	3.1
162.83913	61.7
163.83966	8.2
164.83620	55.6
168.99612	2.1
171.10258	46.2
176.70741	1.5
181.08714	9.9
184.02068	5.7
198.80806	5.9
198.94389	2.3
199.09755	100.0
199.13405	7.9
199.80508	49.1
199.85057	2.3
200.10123	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	199.0977
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
50.54977	0.3
57.08050	0.3
58.00602	1.1
59.01376	0.4
67.01838	0.3
69.07749	0.3
69.43846	1.1
72.04596	0.3
73.02937	3.1
83.05000	0.3
93.36777	0.3
99.00874	0.5
99.08176	0.6
113.02481	0.3
127.93137	2.3
135.08171	1.0
137.08717	0.6
137.09731	7.9
141.12881	1.9
154.95473	2.2
155.10786	100.0
156.11151	2.2
169.12328	4.2
171.10242	0.5
171.13921	0.7
181.08659	0.6
181.12361	0.6
184.02017	0.5
198.94493	0.4
199.09776	10.0
199.13402	14.6
200.10085	0.5
200.13631	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62115	0.4
57.45621	0.4
57.82101	0.5
58.00601	1.1
59.01383	1.1
69.36805	2.0
69.93172	0.4
99.00871	1.3
111.00880	1.0
113.77000	0.4
127.93161	2.6
137.61496	0.4
139.11317	0.5
139.93109	0.6
141.12872	3.1
141.40225	0.4
154.95505	2.8
155.10786	0.7
163.11308	1.1
168.99738	0.5
169.12334	11.1
171.13875	0.6
178.06308	0.5
181.12344	17.5
189.86671	0.5
197.11856	2.0
198.94481	0.7
199.03990	1.3
199.13390	100.0
200.13698	3.1
205.34087	0.4
206.74849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1339
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
53.35159	0.3
57.03453	0.5
58.00597	1.6
59.01364	0.7
67.01884	0.3
69.03471	0.4
70.98856	0.3
71.05003	0.8
73.02945	0.7
76.05037	0.3
81.02071	0.3
99.00864	0.5
99.08150	0.5
110.83042	0.3
125.09710	1.3
127.11297	3.9
127.93160	2.1
139.11243	0.8
139.93173	0.6
141.12878	3.6
151.11238	0.3
153.12843	1.1
154.95517	2.0
155.10799	0.5
155.14355	0.5
163.11220	0.6
169.12335	7.8
171.10243	0.5
171.13925	1.2
181.12347	1.1
184.02075	0.7
197.11816	1.9
198.94394	0.5
199.13391	100.0
200.13768	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	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01741	0.4
60.40918	0.3
60.60613	0.3
61.39356	0.3
71.15862	0.4
73.87971	0.3
76.52985	0.3
90.65909	0.3
113.04659	0.4
115.85705	0.3
117.03712	0.4
157.03571	6.3
159.01457	1.7
201.02567	14.6
202.02745	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48296	0.3
56.54885	0.3
59.01378	100.0
60.01722	0.3
68.04176	0.3
69.91660	0.7
69.91988	0.7
80.96751	0.3
108.20642	0.3
113.04580	0.5
115.02497	0.4
157.03583	5.6
159.01506	2.1
175.02791	0.8
175.17111	0.3
183.11806	0.3
201.02542	16.0
202.02679	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1133
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03446	1.1
58.00591	1.9
59.01382	5.6
67.87691	0.3
68.35261	0.3
69.03426	0.3
69.66853	0.7
71.05015	0.7
73.02962	0.7
82.23901	0.3
85.02975	0.3
87.04536	0.6
95.78021	0.3
97.06564	0.3
98.21918	0.4
99.08184	0.4
100.71220	0.3
118.02156	0.3
125.09727	6.3
127.11294	10.8
137.09775	1.7
137.10666	0.3
139.11282	2.1
141.93216	0.9
153.09222	0.4
155.10783	4.1
157.12326	1.4
165.09210	3.8
171.10251	3.6
183.10265	3.6
199.09738	3.1
201.05627	1.5
201.11327	100.0
202.11710	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	201.1497
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
55.09335	0.2
55.71040	0.2
57.03434	0.3
58.56394	0.2
59.01381	7.6
69.09868	0.2
69.12807	1.7
72.40676	0.2
87.00944	0.3
98.22591	0.6
99.92585	1.0
125.09665	0.3
127.11261	0.6
141.25557	0.2
141.93150	2.4
153.12764	0.3
155.14420	5.3
156.42784	0.3
183.13873	1.7
199.13405	0.8
201.02486	0.7
201.05583	1.0
201.14963	100.0
202.05170	0.3
202.15306	3.2
205.24207	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0827
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
59.01379	31.0
60.74778	0.8
69.34004	2.3
69.34389	1.9
71.01404	1.1
72.00510	0.8
72.00909	21.4
74.02475	39.8
82.34097	0.9
98.22617	1.9
99.39491	0.9
100.92596	1.4
103.04510	0.9
116.05067	100.0
117.05400	1.7
128.03502	0.8
129.05876	1.9
130.06596	2.5
130.94315	1.1
132.98186	1.9
142.06627	28.2
142.07744	1.7
142.93665	1.7
159.03253	0.9
159.09273	17.8
160.97643	5.6
174.99234	16.0
186.05656	4.7
202.98715	7.3
203.02040	1.5
203.08258	75.9
204.08644	1.6
222.49728	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.9998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29967	0.3
59.01379	48.1
60.01714	19.4
61.01806	5.7
61.02109	0.4
61.98830	100.0
62.02155	0.7
69.15971	0.5
69.16375	1.0
72.63349	0.3
73.02976	0.3
77.07999	0.2
82.19167	0.3
101.64912	0.2
115.00421	0.3
143.86464	0.3
159.03241	0.5
160.03595	1.8
161.01201	0.9
161.97148	1.3
162.01538	1.5
168.67403	0.3
174.99181	0.5
175.99504	0.8
193.22002	0.3
203.98347	1.9
203.99921	0.8
204.02666	9.8
205.02792	0.3
209.20094	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0353
Annotation	(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
54.67770	5.2
55.01865	9.7
57.03422	7.5
57.40228	4.4
59.01378	95.6
61.98823	4.6
64.54755	4.7
67.01886	6.6
68.99796	12.4
71.01381	100.0
72.99303	53.8
73.02931	19.5
75.00861	44.3
83.01389	25.2
85.02934	6.7
87.00875	39.8
89.02438	36.4
92.86674	4.7
96.99293	9.5
99.00881	83.0
100.98777	7.1
101.02461	9.9
103.00356	6.3
111.00882	35.3
112.98815	79.1
115.00374	96.1
117.01919	10.7
124.98767	14.0
127.00368	15.6
129.01953	30.8
133.01401	5.6
142.99875	26.5
145.01433	25.9
154.99828	13.4
159.77727	4.7
173.00769	6.8
175.02454	8.3
184.77171	4.8
205.03494	9.2
205.15826	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	206.0821
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
50.60016	0.8
58.02976	59.0
59.01360	2.0
62.24018	0.8
69.14189	5.1
70.02976	13.3
70.03342	1.5
72.00911	5.7
72.39689	0.7
73.23337	0.8
76.07125	0.9
80.79379	0.7
91.05539	23.0
98.21848	1.2
112.31551	0.9
112.49532	0.9
147.04524	37.3
162.09245	1.4
164.07166	100.0
165.07501	2.0
177.01955	1.1
192.04263	1.4
206.08221	47.9
207.08369	1.1
218.76401	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
57.03438	8.5
59.01375	16.1
67.01884	3.0
69.03446	4.5
69.27888	6.5
69.28247	1.1
71.01380	9.4
72.99308	62.7
73.02944	94.3
75.00850	1.2
80.90936	1.3
83.01385	27.3
85.02950	64.9
85.25922	1.2
87.00866	1.4
92.60941	1.0
95.01376	14.9
99.00887	8.8
100.01667	6.3
101.02451	20.9
103.04007	2.6
113.02450	100.0
114.02793	1.7
115.04005	2.4
129.01923	4.9
131.03506	25.1
138.06477	1.0
141.15927	1.2
157.01427	11.1
175.02463	3.5
207.05092	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	207.1025
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.87891	0.8
54.42024	0.9
55.29161	0.8
58.65322	1.1
59.01373	25.7
67.05521	2.0
69.08551	4.7
69.08956	1.3
74.83847	0.8
80.02670	5.4
81.03446	8.7
83.05016	7.7
85.02933	1.4
93.03436	2.2
94.96964	1.0
95.05018	1.6
96.71391	0.8
97.02952	4.0
106.04211	1.8
107.05006	3.0
109.06585	100.0
110.03738	1.6
110.06882	1.2
121.06583	7.1
125.06099	0.8
133.06644	1.3
135.08159	10.5
139.50841	0.8
145.10272	0.8
161.09711	4.4
163.11278	38.5
164.11598	1.3
165.09155	1.3
189.09212	1.8
207.10243	46.7
212.52782	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0455
Annotation	5-Hydroxyferulic acid methyl ester
Peak:m/z	Relative Intensity
59.01386	0.6
64.48421	0.4
66.08580	0.4
68.99818	9.8
69.03447	0.4
69.35096	0.8
69.35497	1.1
70.37862	0.3
73.02943	0.5
77.03967	10.4
80.60387	0.4
85.02963	0.7
91.01910	0.5
93.03472	0.6
93.43902	0.3
95.05022	1.7
99.00874	0.4
101.02446	14.5
106.04256	0.7
107.05043	0.4
108.02226	0.4
109.02983	0.6
111.00900	1.9
120.02175	9.3
121.02959	100.0
121.06584	1.0
122.03305	1.6
123.04502	0.4
133.02954	12.7
134.03307	0.4
135.04514	0.6
136.01701	0.6
139.00374	5.7
147.04630	0.4
148.12752	0.4
149.06081	0.8
165.01924	11.8
165.05582	0.7
170.35703	0.3
177.01857	0.5
177.05571	0.4
194.05757	0.6
209.04530	17.3
209.08209	1.7
209.11867	0.9
210.04884	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0666
Annotation	Sedoheptulose
Peak:m/z	Relative Intensity
55.01866	3.3
57.03447	22.6
59.01379	25.0
59.72774	1.0
69.03444	1.5
71.01381	14.0
71.43716	1.1
72.99300	1.4
73.02950	4.4
83.01382	4.7
84.01692	1.0
84.02135	4.0
85.02950	80.2
87.00880	27.0
87.04517	2.0
89.02441	6.6
97.02941	2.5
99.00868	9.2
101.02445	3.2
111.00898	6.1
112.98801	4.2
114.53477	0.8
115.04030	2.0
121.02950	1.6
129.01942	50.5
141.01894	4.1
142.99867	15.0
153.61839	0.7
159.02997	12.3
166.05054	2.1
173.00900	5.4
186.16081	0.8
209.06665	100.0
210.01762	0.9
210.06969	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	209.1183
Annotation	Pulchellon
Peak:m/z	Relative Intensity
57.03442	3.4
57.16919	1.3
59.01384	10.9
64.01437	1.1
69.03454	23.7
70.51374	1.9
71.05011	2.7
83.05019	2.0
84.69323	1.2
87.24435	1.1
93.03486	2.0
95.05010	1.1
98.43118	1.1
108.05820	1.4
109.06577	1.7
111.08161	5.4
115.28235	1.1
121.02955	4.2
121.10236	1.4
134.35229	1.1
139.07660	1.2
147.11816	2.4
153.09233	6.5
163.11305	4.0
165.09138	1.7
165.12852	19.2
173.09647	2.2
181.12343	24.6
191.10786	27.5
202.61258	1.3
209.11833	100.0
210.12170	1.5
214.92145	1.2
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	Unknow
Peak:m/z	Relative Intensity
57.03437	3.7
59.01378	9.0
69.03457	20.7
69.75569	1.8
69.75898	1.4
71.05024	3.3
75.64365	0.8
76.05268	0.8
83.05033	2.5
93.03467	2.5
95.05000	2.6
97.06574	2.0
108.05811	2.7
109.06584	2.0
111.08159	4.8
120.89719	0.9
121.02934	1.8
121.10263	1.1
126.95534	1.0
127.07658	1.8
135.08250	1.5
135.11769	0.8
139.07660	1.2
147.11800	2.4
153.09235	5.7
163.11278	2.9
165.09177	2.5
165.12845	22.8
173.09735	0.9
181.12346	21.4
191.10779	29.1
202.38757	0.8
209.11829	100.0
210.12254	1.7
213.68846	0.9
218.71861	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
55.01883	1.2
57.03440	3.1
59.01367	2.0
67.01881	1.0
69.03458	1.1
70.03306	1.6
80.02650	0.7
81.03460	2.6
83.01387	15.9
83.01883	1.0
83.05029	8.8
84.02154	0.9
92.44891	0.7
93.03434	0.8
95.05034	1.7
96.95981	0.7
97.06577	3.9
109.06570	0.9
118.94151	0.8
120.02167	2.1
121.02953	14.8
123.08158	2.1
124.38893	0.7
125.06023	0.9
125.09724	26.4
137.09654	0.8
147.11786	1.4
149.09756	1.1
163.11331	5.8
165.12865	6.8
167.10776	31.4
181.12352	2.4
191.10799	4.6
209.11826	100.0
210.12161	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	209.1182
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01882	3.3
57.03447	1.9
59.01358	0.3
61.02214	0.3
69.03432	0.6
69.12992	1.7
71.04996	0.8
80.02666	0.8
81.03452	3.7
83.01385	24.3
83.05025	3.6
84.01715	0.3
84.02162	1.1
93.03461	0.4
95.05016	1.2
97.06590	5.0
106.04291	0.5
110.03729	0.5
111.08175	0.7
121.02975	3.1
123.08158	2.1
125.09720	23.9
134.03752	0.3
135.08153	2.0
147.11803	1.1
149.09686	0.5
151.11327	0.3
161.09633	0.4
163.11284	9.8
165.12823	3.8
167.10748	0.5
173.09760	0.6
179.60684	0.3
181.12329	1.1
191.10774	7.5
209.11818	100.0
210.12144	2.3
212.96921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
51.41905	0.6
53.68799	0.6
55.01867	0.9
57.03448	6.7
59.01367	2.6
64.26246	0.8
69.03432	1.4
69.48320	3.0
71.01381	12.9
73.02937	0.8
80.02685	1.9
81.03452	3.1
83.01385	5.8
83.05023	3.4
84.02184	0.8
91.10839	0.6
93.03461	0.9
95.05019	2.5
96.96001	0.7
97.06593	4.7
98.03777	0.6
106.04272	0.7
109.06638	0.9
111.08163	2.2
112.01671	1.6
120.02158	1.7
121.02962	14.8
123.08145	1.0
125.02478	0.8
125.09722	8.9
135.08148	1.5
137.09734	0.9
145.10176	1.3
145.65480	0.7
147.08058	0.9
147.11795	1.9
149.09708	0.9
151.11284	19.4
153.06523	0.7
153.09108	0.7
153.12860	2.3
161.09785	1.0
163.11284	8.7
165.12833	20.0
167.10745	2.3
173.09729	1.7
179.10773	3.7
181.12338	31.5
182.12607	1.1
191.10777	15.9
191.12543	0.8
204.25645	0.7
209.11826	100.0
210.12132	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	209.1182
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
57.03455	3.9
59.01380	100.0
63.11840	0.5
69.52782	2.2
74.28973	0.4
80.02687	0.7
81.03469	1.8
83.05027	0.6
97.06585	2.8
107.37758	0.6
109.06580	4.1
121.02962	9.9
149.09721	0.5
163.11276	0.7
165.12836	4.8
209.04462	0.8
209.11836	23.1
210.12195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	Pulchellon
Peak:m/z	Relative Intensity
55.01870	1.4
57.03449	5.3
58.00587	0.8
59.01358	1.8
59.30457	0.6
69.03447	1.7
69.94003	1.3
69.94331	0.7
71.01379	17.8
71.05007	1.9
71.75231	0.6
73.02940	1.4
77.98618	0.6
80.02661	1.3
81.03452	3.5
83.01385	8.6
83.05028	4.2
84.02164	2.6
95.05033	2.9
97.06579	4.4
106.04243	0.7
106.44205	0.6
107.05064	0.7
108.02192	0.8
109.06561	0.8
111.08131	1.8
112.90868	0.6
118.94175	1.1
120.02153	1.5
121.02959	10.8
123.08182	1.6
125.09718	14.3
134.03748	1.4
135.08167	2.0
137.09639	0.9
145.10191	1.9
147.11806	2.5
149.09685	1.0
151.11276	22.2
153.09225	0.7
153.12814	2.8
161.09737	0.9
163.11275	9.5
165.11531	1.0
165.12843	14.9
166.13150	0.6
167.10750	1.6
173.09691	2.1
179.10728	3.0
181.12338	44.6
182.12656	1.2
191.10765	17.1
209.11819	100.0
210.12099	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	Pulchellon
Peak:m/z	Relative Intensity
52.46734	0.9
54.50448	1.0
57.03441	7.2
58.00597	1.0
59.01367	5.0
61.98829	1.6
65.00325	1.3
69.03455	3.3
70.95404	1.3
71.01383	20.7
71.05011	1.5
73.02937	1.4
80.02686	1.7
81.03449	2.2
82.40697	1.0
83.05027	4.2
84.02164	2.1
90.07498	0.9
92.92817	1.2
92.99825	2.3
93.03422	1.6
94.01440	1.0
95.05032	2.7
96.95998	3.4
97.06556	2.7
99.04563	1.1
107.05019	1.4
111.08152	3.1
118.05090	1.0
118.94214	5.3
120.02155	6.2
121.02958	67.2
123.08195	1.3
125.09737	6.2
134.03726	1.3
135.08136	1.4
136.98811	1.5
137.09744	1.3
139.00378	1.1
145.10225	2.7
147.11774	2.0
151.02766	2.1
151.11288	24.1
153.09253	1.1
153.12831	3.9
161.91354	1.2
163.11298	8.6
165.01990	1.4
165.12851	19.7
165.14240	1.3
173.09702	2.6
179.10789	3.3
181.12338	46.8
191.10780	17.1
209.00903	2.3
209.04257	7.6
209.11826	100.0
210.12204	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	210.0405
Annotation	5-(2'-Formylethyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
59.01378	0.8
64.97026	1.8
69.36813	2.4
69.37131	0.4
77.03963	0.6
79.95745	2.0
80.96531	0.6
85.19720	0.4
87.35900	0.4
91.41224	0.5
92.05050	0.9
92.67969	0.5
95.97611	14.6
98.22613	0.9
103.04268	1.4
104.05063	31.0
108.02156	0.5
112.64669	0.4
120.04551	4.9
122.06113	1.9
123.04546	0.7
124.03973	0.6
130.08728	12.5
148.04044	55.5
149.04337	0.7
151.83737	0.4
164.03813	0.5
166.05092	100.0
166.24321	0.5
166.91069	0.6
167.05434	1.7
181.05008	0.5
192.03233	0.5
195.01723	0.6
210.04214	21.7
211.13451	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0976
Annotation	(-)-Methylenolactocin
Peak:m/z	Relative Intensity
55.00939	0.8
55.01878	1.1
57.03431	3.2
58.56385	0.9
59.01374	2.2
69.03443	1.0
74.79062	0.8
78.51611	0.8
85.06586	1.2
91.64568	1.0
99.08157	2.0
104.45260	1.0
104.46175	1.0
111.08180	1.5
121.10220	1.9
123.11810	2.0
167.10776	100.0
168.11060	2.5
183.13928	12.0
193.12320	2.8
211.09952	17.1
211.13383	95.0
212.13718	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	211.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
62.89753	0.4
64.99969	0.4
69.29489	2.2
73.19556	0.4
77.68220	0.4
83.05023	0.4
136.51218	0.4
155.10709	0.4
167.14389	1.3
177.26154	0.4
183.13895	11.9
193.12350	3.4
211.13396	100.0
212.13689	2.1
229.43398	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76067	0.4
53.94849	0.4
57.45781	0.4
60.04269	0.4
69.03448	1.2
69.79226	1.4
83.05013	0.5
83.58426	0.4
100.02299	0.4
132.28517	0.4
144.26440	0.4
160.51996	0.5
167.10762	0.9
167.14401	1.3
183.13895	13.9
183.15544	0.8
193.12358	3.5
201.20544	0.4
211.13393	100.0
212.13736	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	211.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59425	0.5
63.38710	0.6
69.03470	1.0
69.87601	1.8
87.58543	0.5
125.47319	0.5
133.78691	0.5
167.14423	1.1
183.13902	12.7
193.12386	3.2
211.13397	100.0
212.13710	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	213.0768
Annotation	cantharidic acid
Peak:m/z	Relative Intensity
55.01888	0.3
55.82141	0.2
57.03446	1.1
67.33101	0.2
69.03455	0.6
70.35471	0.5
81.03445	0.6
81.94666	0.3
83.05032	0.4
84.35231	0.3
87.00874	0.5
95.05030	2.2
97.06597	0.9
107.05073	0.4
110.03769	0.3
111.02039	0.3
121.06602	1.6
123.08166	25.8
124.08504	0.6
125.06088	9.1
125.09735	3.3
139.07623	0.3
151.07611	0.7
169.08702	100.0
170.09044	2.1
188.35605	0.3
194.99306	0.5
210.67966	0.3
213.04050	0.6
213.07651	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	213.1132
Annotation	(+)-Hexylitaconic acid
Peak:m/z	Relative Intensity
59.01392	1.1
69.98343	1.0
76.73190	0.5
76.87046	0.5
78.07229	0.4
89.64398	0.5
105.81944	0.4
113.02464	2.8
167.14482	1.0
169.12338	54.5
170.12764	1.2
183.13919	5.9
185.14597	1.8
195.13914	15.5
211.13531	1.3
213.11447	13.7
213.15048	100.0
214.11757	0.6
214.15326	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	213.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42147	0.3
52.23726	0.4
53.09559	0.4
53.68110	0.4
69.74655	1.1
73.50230	0.4
77.31797	0.4
83.30110	0.4
97.06622	0.5
151.11293	13.1
151.41435	0.4
169.12337	100.0
170.12682	2.6
195.10222	1.1
213.11311	16.3
214.11641	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1132
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
52.86132	0.2
55.44466	0.2
56.95924	0.2
57.03453	0.2
59.01365	0.3
69.03463	0.4
69.24170	0.7
69.24579	0.5
85.13899	0.2
89.61382	0.2
93.03506	0.2
97.06592	0.9
151.11281	12.2
152.11543	0.2
169.12329	100.0
170.12672	2.5
185.11867	0.4
195.10207	1.0
197.99063	0.2
213.11305	19.8
214.11629	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16505	1.7
98.21872	0.8
99.94601	0.3
103.14754	0.4
130.93372	0.4
131.83517	0.4
165.12837	0.4
168.05257	0.4
183.13887	27.4
184.14236	0.5
195.13878	22.9
196.14153	0.4
211.13441	0.5
213.14944	100.0
214.15269	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	213.1496
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
52.86416	0.3
59.01400	0.4
69.76800	1.4
108.37300	0.4
120.28188	0.4
163.11353	0.3
167.14423	1.2
183.13901	4.4
195.13902	15.3
211.13383	1.3
213.14972	100.0
214.15382	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	215.0328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38811	1.3
59.01373	11.3
60.74406	1.4
61.98817	1.5
65.00311	3.2
65.54507	1.3
70.03278	4.0
71.01359	3.7
75.00866	2.6
83.05032	2.2
84.99329	2.9
89.02441	5.5
94.13505	1.4
96.96019	2.7
98.22617	2.2
99.00871	4.9
99.92580	4.3
103.01495	3.5
112.98827	1.5
115.92042	2.3
116.92847	6.8
122.89423	4.2
128.98358	2.2
143.99825	1.4
144.00928	10.9
145.86263	2.0
156.97807	5.4
171.01938	2.1
177.90363	3.3
178.90198	7.4
186.89796	3.0
197.85623	4.2
214.85876	3.3
215.00995	100.0
215.12804	2.2
216.01288	2.5
227.32745	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	215.1652
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
66.91833	0.2
70.02719	0.3
70.03055	0.7
98.88773	0.3
126.82660	0.3
134.25296	0.3
144.00945	1.8
167.14432	0.5
169.15981	4.4
171.02045	0.4
171.13998	0.6
172.00359	0.4
185.40767	0.3
197.15440	2.1
213.15002	1.0
215.01006	16.1
215.16524	100.0
216.01262	0.6
216.16896	3.2
217.96091	0.4
221.70609	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	8.9
59.01377	100.0
60.01677	2.6
67.01878	2.9
71.01375	34.9
71.33063	2.8
72.24217	2.4
72.99309	31.6
73.02943	7.0
83.01378	9.5
85.02948	5.4
87.00875	8.5
88.04031	9.6
93.03487	3.3
98.02485	5.7
99.00865	29.5
108.26290	2.4
110.06107	2.7
111.00900	12.9
112.98853	3.3
128.05034	5.6
128.15047	2.3
129.01921	10.9
136.56398	2.8
141.73006	2.3
142.51724	2.6
142.86014	2.3
154.05061	3.2
170.04587	8.2
172.03909	2.8
172.09784	4.0
172.99408	4.7
173.00891	4.3
173.04536	6.2
173.99515	22.9
174.99237	30.0
190.05110	5.9
198.04163	3.3
216.01280	18.8
216.05753	3.4
216.08786	4.9
217.00255	28.3
217.03516	5.6
217.07071	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	221.0667
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
57.03456	0.7
59.01379	100.0
69.69691	1.8
71.01376	9.1
72.99321	1.6
73.02943	6.9
75.00893	1.1
78.95890	2.7
80.96508	0.6
83.01412	2.1
85.02946	5.7
85.91222	0.5
87.00894	3.1
89.02454	2.3
98.21873	0.7
99.00894	1.5
100.95242	0.5
101.02446	9.1
112.09138	0.5
113.02448	4.2
115.00393	0.8
125.02495	0.6
131.03505	2.4
134.03807	0.6
136.96457	0.6
136.97522	1.3
145.01317	0.9
159.03011	0.7
161.04556	6.4
166.27232	0.6
177.05557	0.6
178.98541	10.2
180.06726	0.5
191.03630	0.6
220.99532	8.5
221.06686	3.1
221.08548	0.7
221.11874	1.0
221.15501	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32661	1.0
51.39919	0.9
55.01880	2.5
57.03442	2.5
59.01380	100.0
60.99292	3.4
69.03464	2.6
71.01383	25.2
71.29662	1.0
72.99309	31.2
73.02946	13.9
74.00101	2.4
75.00857	2.6
81.03455	1.2
83.01385	4.5
83.05056	1.4
85.02952	34.9
86.00076	1.2
87.00874	10.0
89.02452	30.2
95.01363	1.9
99.00883	3.5
99.04513	1.6
101.02447	19.0
105.01925	1.7
111.04530	2.7
113.02453	7.3
115.00346	7.7
125.02362	1.1
129.01958	3.0
131.03502	9.3
133.01443	7.1
133.05049	1.4
145.01437	3.1
161.04576	13.3
174.22481	1.1
185.04628	1.3
203.05611	3.8
221.04961	1.9
221.06665	53.6
222.07074	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	221.0666
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
51.32661	1.0
51.39919	0.9
55.01880	2.5
57.03442	2.5
59.01380	100.0
60.99292	3.4
69.03464	2.6
71.01383	25.2
71.29662	1.0
72.99309	31.2
73.02946	13.9
74.00101	2.4
75.00857	2.6
81.03455	1.2
83.01385	4.5
83.05056	1.4
85.02952	34.9
86.00076	1.2
87.00874	10.0
89.02452	30.2
95.01363	1.9
99.00883	3.5
99.04513	1.6
101.02447	19.0
105.01925	1.7
111.04530	2.7
113.02453	7.3
115.00346	7.7
125.02362	1.1
129.01958	3.0
131.03502	9.3
133.01443	7.1
133.05049	1.4
145.01437	3.1
161.04576	13.3
174.22481	1.1
185.04628	1.3
203.05611	3.8
221.04961	1.9
221.06665	53.6
222.07074	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	221.0818
Annotation	Methyl-4-(butyryloxy)benzoate
Peak:m/z	Relative Intensity
59.01379	6.8
67.01890	1.4
68.99809	1.9
69.03455	73.2
70.03792	0.5
71.01386	6.0
73.02940	0.9
77.03974	2.3
81.03445	3.3
82.52921	0.5
93.03469	1.3
95.05022	3.0
98.21885	1.2
101.02481	0.5
105.03468	2.0
107.05022	1.5
108.02177	17.2
109.02975	4.7
115.35429	0.5
121.02962	2.7
122.03776	0.6
123.04525	51.8
124.04881	0.8
133.02951	1.5
139.20229	0.4
143.56676	0.4
149.02437	1.7
151.04007	100.0
152.04396	2.2
161.04567	0.9
177.05486	0.4
203.07211	0.6
221.08147	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	221.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05508	2.0
57.94162	1.8
59.01378	100.0
59.77299	2.1
61.35615	2.0
61.98831	2.8
64.10450	2.0
69.03449	55.3
70.03778	2.5
70.42249	2.4
71.01372	5.1
71.05024	4.5
73.02932	8.1
83.05012	4.8
85.02930	2.8
89.02449	2.0
95.05036	22.2
106.04254	2.5
109.06578	3.0
113.02493	2.4
113.06120	2.1
118.43147	2.2
121.10223	14.0
123.08131	6.3
124.04007	2.9
125.78445	2.1
133.86528	2.4
134.07326	5.0
144.75531	1.9
149.09665	2.3
151.19193	2.4
159.11784	14.3
161.04570	8.1
162.83961	5.3
175.11292	2.6
177.09207	6.2
177.12843	33.2
178.98503	12.9
193.05318	2.1
193.12311	6.9
203.10747	8.0
220.99522	12.8
221.11807	41.3
221.15337	3.3
221.84198	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1545
Annotation	Kobusone
Peak:m/z	Relative Intensity
59.01377	1.7
61.98812	0.1
69.10947	0.2
69.11366	0.2
69.32801	0.1
71.01358	0.1
71.05016	0.1
73.02930	0.1
89.02467	0.1
101.02451	0.1
101.06083	0.1
105.92560	0.1
118.61921	0.1
127.07672	0.3
133.95491	0.1
148.05273	0.3
149.06046	0.3
151.07626	0.2
161.04570	0.2
162.83896	0.2
164.08406	1.7
165.09181	0.1
178.98524	0.1
184.23625	0.1
191.10742	0.1
205.12340	1.3
206.12671	1.0
207.13869	0.4
220.14680	3.1
220.99611	0.2
221.15439	100.0
221.84254	0.1
222.15785	3.2
235.13385	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0611
Annotation	Trinexapac
Peak:m/z	Relative Intensity
59.01366	6.3
67.01888	8.1
68.99422	1.8
68.99817	61.0
69.03455	100.0
69.11301	6.1
69.51599	0.8
70.03786	0.9
73.02947	0.8
74.39477	0.7
91.05542	1.2
93.03457	4.1
95.53445	0.8
97.02853	0.9
99.00868	1.6
101.02444	74.0
101.54829	0.8
112.51150	0.9
119.05023	9.6
121.02955	37.6
123.04542	1.2
127.04018	17.7
135.04478	2.0
147.04535	12.4
149.02438	17.5
152.64748	0.8
153.01930	2.5
153.05533	1.0
161.06090	2.5
163.04002	4.0
164.04764	1.0
179.07129	11.3
181.05052	9.9
191.03526	4.4
208.03609	1.1
223.02704	0.9
223.06099	7.2
223.13258	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	223.1338
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.00610	0.2
57.03447	1.3
58.33858	0.2
59.01377	5.9
64.43467	0.2
66.72878	0.2
67.01885	0.2
69.03456	7.0
69.06846	0.9
69.07245	0.4
71.01365	0.5
71.04689	0.2
71.05021	1.9
80.02695	0.3
81.03453	0.4
82.59044	0.2
83.05010	1.5
85.06599	1.4
93.03426	0.7
95.05052	1.1
96.96001	0.2
97.06580	0.6
100.74162	0.2
102.34090	0.2
106.04242	0.2
107.08684	0.4
108.05166	0.2
108.05808	0.8
109.06600	1.8
111.08126	0.5
116.03401	0.2
121.02994	0.2
123.08141	0.3
125.09750	0.9
127.07722	0.2
127.57697	0.2
133.10246	0.3
135.11786	0.8
141.09273	0.9
149.09724	1.9
151.11250	0.3
153.09209	0.7
161.13397	0.9
164.83548	0.5
167.10774	9.3
175.11235	0.2
176.83734	0.5
177.12831	1.6
179.10794	3.3
179.14420	9.6
180.14679	0.3
187.11304	0.4
193.01534	0.2
195.13899	25.8
196.14314	0.8
205.12332	19.9
206.12692	0.7
223.13391	100.0
224.13719	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	223.1339
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
51.31495	1.0
52.75214	1.0
59.01368	4.1
61.63934	1.1
69.03471	6.7
70.09515	0.9
70.57523	2.0
71.05019	3.0
109.06590	1.3
125.09650	1.3
167.10777	7.8
179.10770	3.9
179.14407	10.8
195.13882	29.6
196.14168	1.1
203.80336	1.1
205.12340	21.4
223.13399	100.0
224.13721	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16980	0.7
59.01374	1.5
65.00307	0.7
67.01890	4.0
68.99816	58.9
69.03457	29.0
71.01376	1.1
73.02927	2.3
85.02969	0.8
93.03458	3.7
93.74126	0.8
95.01391	52.7
95.05045	1.3
96.96003	1.9
97.02943	2.2
101.02447	88.5
106.04226	1.1
108.02195	1.4
109.06600	2.0
113.29748	0.8
121.02967	4.6
121.06599	1.1
123.00832	1.1
123.04528	34.0
125.02473	1.1
127.03970	1.6
128.14456	0.8
137.02461	0.8
149.02434	3.5
155.03506	100.0
156.03807	1.8
163.11266	2.8
181.05074	2.7
181.12358	2.3
207.10297	5.0
225.07701	3.0
225.11340	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	225.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78685	0.3
59.01370	0.5
67.01880	0.7
68.99818	47.8
69.03460	0.9
69.21754	1.8
71.01385	1.8
77.40321	0.3
93.03469	2.3
95.01378	1.4
95.05042	1.4
98.22611	0.9
101.02447	100.0
102.02776	0.7
107.05034	4.1
117.03409	0.4
119.05032	1.6
121.02951	1.8
123.04505	1.4
135.04547	4.1
137.02429	0.5
137.06099	2.2
147.04500	1.2
151.04019	2.0
155.03517	2.4
163.03995	1.5
163.05226	0.4
177.05611	0.4
195.06628	5.7
196.07104	0.5
207.06554	0.5
219.33075	0.4
225.07729	3.4
225.11240	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0769
Annotation	Ficusol
Peak:m/z	Relative Intensity
57.48807	0.3
62.19728	0.3
65.03970	0.4
67.01894	6.0
68.99817	49.6
69.03469	0.7
69.72902	1.0
70.00156	0.5
71.16134	0.4
73.02947	0.3
81.03458	0.9
83.05052	0.7
92.99816	0.7
95.01428	1.9
95.05031	1.3
97.02905	0.4
99.04533	1.6
101.02447	100.0
102.02792	1.2
106.04272	1.3
107.05019	0.5
108.02158	1.0
112.01661	0.3
119.05045	0.4
121.02970	0.6
121.06590	2.7
122.03771	0.5
122.64944	0.3
123.04531	16.7
125.02456	3.5
127.04020	5.1
137.06070	0.8
147.04474	0.4
149.06050	0.6
150.03296	0.7
151.03952	0.4
155.03496	2.3
165.05504	0.6
192.37213	0.3
193.05064	0.4
225.07687	14.4
225.11348	0.9
226.07974	0.6
229.04956	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73206	0.2
59.01380	0.3
63.57539	0.3
64.16331	0.2
67.01871	0.4
68.99814	47.4
69.03465	0.3
69.11134	1.6
70.00171	0.3
71.01382	1.7
72.89053	0.3
77.14697	0.2
81.03451	0.4
84.53437	0.2
91.05508	0.4
93.03450	2.2
95.01393	0.8
95.05027	0.4
98.84483	0.2
99.00881	0.4
101.02441	100.0
102.02780	0.9
105.03433	0.4
106.04212	0.3
107.01415	0.3
107.05026	4.3
116.49262	0.2
119.03724	0.2
119.05035	1.5
121.02929	1.5
123.04503	1.2
134.03680	0.3
135.04514	4.5
137.02385	0.4
137.06046	0.6
145.02986	0.3
147.04494	1.0
151.03996	1.9
155.03477	1.4
162.90863	0.2
163.03952	1.4
166.06345	0.4
167.07188	0.4
177.05524	0.7
181.48732	0.2
195.06618	5.1
207.06627	0.5
225.07654	3.6
225.11240	0.4
236.01073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.19678	0.8
59.01384	11.7
60.48348	0.8
65.92100	0.8
67.05520	1.1
69.03458	3.0
69.11029	4.8
71.05035	1.7
80.02679	2.3
81.03474	5.8
83.05026	4.8
84.02152	3.9
85.02940	1.0
93.03482	0.9
95.05030	1.4
97.02956	10.5
98.21850	2.0
99.00854	1.6
99.04535	1.6
101.02426	1.3
107.05015	0.9
109.06591	59.3
110.03747	8.5
110.06955	1.1
119.73389	0.8
121.06572	4.4
135.08189	8.4
136.05367	1.6
142.02771	1.5
145.10260	1.2
161.09721	2.3
163.11299	34.5
163.12685	1.9
164.11562	0.9
165.09132	1.0
181.12346	17.3
189.09178	1.6
207.10255	100.0
208.10619	3.0
225.11325	79.5
226.11655	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1131
Annotation	Chloriolide
Peak:m/z	Relative Intensity
50.42965	0.6
59.01382	6.3
67.01868	0.9
68.99820	8.7
69.03449	2.7
71.01376	1.7
71.05038	0.7
73.02948	1.3
74.37038	0.7
80.02663	1.3
81.03458	2.6
83.05033	2.7
84.02182	0.9
85.24268	0.7
93.03449	3.0
95.01384	2.8
95.05016	8.1
97.02952	5.0
98.21815	1.5
99.04514	2.9
101.02439	15.6
106.04240	2.3
107.05020	1.1
109.02958	1.0
109.06601	15.8
109.07342	1.1
110.03742	7.8
111.04520	1.6
121.06598	1.9
123.04511	3.1
125.09716	1.2
126.90536	1.1
135.08171	2.1
137.09723	1.4
142.02811	0.8
145.10223	1.5
150.04723	0.7
151.11305	1.6
153.12823	1.6
155.03499	3.7
161.09700	2.3
163.11281	16.7
165.01903	0.9
169.12344	1.6
179.10777	2.5
181.12332	7.3
189.09193	7.1
197.11823	2.7
207.10263	47.8
208.10666	1.0
224.90573	0.9
225.00432	0.9
225.05736	4.4
225.07677	3.0
225.11325	100.0
225.14560	8.0
226.11658	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	225.1133
Annotation	Chloriolide
Peak:m/z	Relative Intensity
55.01891	0.7
58.00585	0.7
59.01382	5.1
67.01885	0.9
68.99811	7.9
69.03452	3.9
69.31068	3.4
71.01388	1.5
71.05015	1.2
71.22736	0.7
73.02954	1.6
81.03449	1.6
83.05013	2.9
93.03455	2.0
95.01377	5.2
95.05037	7.5
97.02951	5.6
98.21733	1.0
99.04513	1.8
101.02442	13.8
106.04255	1.9
109.02947	1.4
109.06590	12.7
110.03739	6.2
110.64390	0.7
111.04520	1.5
121.06598	2.9
123.00954	0.8
123.04533	3.2
131.01491	0.7
135.08159	2.8
137.02313	0.6
138.77242	0.8
145.10217	1.1
151.11282	1.6
153.12892	1.6
155.03511	6.6
161.09703	2.6
163.07626	1.0
163.09993	1.3
163.11290	18.5
169.12363	1.3
179.10736	3.9
181.08672	1.2
181.12381	4.1
189.09221	7.2
192.07930	0.8
197.11781	3.1
207.10266	39.2
208.10558	1.0
217.31645	0.7
225.07684	3.0
225.11320	100.0
226.11667	3.0
247.44432	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31345	0.8
56.45276	0.7
57.03468	1.0
58.39220	0.6
59.01384	10.0
66.94913	0.7
69.03469	1.0
69.73525	2.5
77.60656	0.8
80.02686	1.5
81.03463	4.6
83.05032	3.2
84.02187	2.4
95.05022	1.2
95.79346	0.8
97.02962	9.4
97.06588	1.0
99.00863	1.5
99.04503	1.3
109.06596	46.5
110.03743	9.6
121.06586	4.4
135.08133	5.6
136.05316	1.9
161.09659	1.6
163.11290	27.1
179.10756	1.5
181.12355	17.0
189.09256	2.2
190.99393	0.9
197.11842	1.1
207.10269	90.0
208.10684	1.7
225.11331	100.0
226.11656	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	225.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.5
59.01379	4.6
67.84061	0.6
69.03468	1.0
70.61114	0.8
71.05027	1.0
80.02708	0.7
81.03440	2.8
83.05045	1.5
84.02184	1.0
88.34919	0.6
93.03485	0.8
95.05039	0.7
97.02944	10.9
99.00870	2.9
99.04552	1.0
101.02475	0.8
106.04250	0.8
107.04990	0.5
109.06590	21.4
110.03732	10.3
110.04450	0.9
110.06930	0.9
121.06615	1.7
123.04500	0.7
125.09685	0.9
135.08150	3.6
136.05307	2.3
141.58633	0.6
142.02748	1.8
145.10245	0.8
151.07616	0.8
153.12895	0.6
159.04182	0.6
161.09753	1.5
163.11282	18.5
163.12668	0.9
164.11600	0.7
179.10765	0.9
181.12340	29.4
182.12688	1.1
189.09129	1.2
197.11790	0.9
200.75394	0.5
207.10252	81.6
208.10576	3.0
225.11307	100.0
226.11612	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89420	1.1
55.01857	1.5
57.03443	1.3
59.01385	10.5
60.78102	0.9
66.88279	1.0
69.03456	2.0
69.22359	1.0
70.60918	1.9
71.05016	1.2
72.80155	1.0
80.02673	2.5
81.03456	6.1
83.04998	5.3
84.02161	4.2
93.03534	1.1
95.05050	1.3
97.02946	11.1
99.00885	2.0
99.04520	2.3
106.04122	1.3
109.06588	65.8
110.03736	9.3
110.06912	1.1
121.06572	3.9
125.09729	1.5
135.08177	6.8
136.05307	2.5
141.70323	1.3
148.46690	1.0
161.09705	3.0
163.11273	36.4
165.09209	1.3
179.10638	1.4
181.12355	16.1
189.09123	2.2
207.10254	100.0
208.08549	1.3
208.10492	2.0
222.05972	1.0
225.11311	79.0
226.11563	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	225.1132
Annotation	Chloriolide
Peak:m/z	Relative Intensity
55.01866	0.8
57.03458	0.8
59.01378	11.7
62.24660	0.6
67.01925	0.6
68.99822	5.4
69.03474	3.0
71.05026	1.2
73.01324	0.7
80.02700	2.4
81.03465	6.5
83.05031	3.8
84.02163	3.1
85.02950	1.0
87.08475	0.6
87.86223	0.7
93.03468	4.7
95.01392	0.9
95.05050	1.1
97.02953	10.8
99.00880	1.1
99.04517	1.6
101.02449	9.2
106.04256	1.6
107.05062	1.9
109.06592	49.8
110.03769	6.6
121.06608	3.7
123.04533	2.8
125.09711	0.7
126.90512	0.9
131.06165	0.6
133.06624	0.8
135.08186	6.3
136.05302	2.0
137.02446	1.1
142.02759	2.7
145.10237	1.3
155.03519	1.6
161.09718	3.6
163.11290	28.2
165.09233	1.3
179.10794	1.1
181.12335	17.6
189.09218	1.9
197.11864	0.9
197.68753	0.7
207.10265	97.1
208.10580	2.1
224.90601	1.4
225.00470	1.3
225.11320	100.0
226.11687	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	225.1497
Annotation	Annuionone E
Peak:m/z	Relative Intensity
59.01383	4.4
68.76474	0.4
68.99820	4.1
69.03458	1.0
71.01398	0.4
74.96030	0.5
75.56028	0.5
80.47504	0.5
81.03440	1.2
83.05024	1.1
84.02164	0.8
93.03452	1.8
95.01389	0.8
95.05051	1.0
96.88197	0.5
97.02943	1.8
97.06596	0.8
101.02442	6.0
109.06592	5.5
110.03742	1.5
126.90496	1.2
135.08156	0.8
137.02394	0.6
155.03485	1.6
163.11317	3.9
163.14879	0.9
181.12340	3.7
181.15996	0.7
189.09196	0.7
195.06435	0.5
195.13918	7.3
197.15485	3.6
203.27428	0.5
207.10323	12.1
207.13898	24.2
224.90532	1.3
225.00391	0.6
225.07770	1.2
225.11588	15.5
225.14963	100.0
226.11690	0.6
226.15353	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	227.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98092	0.9
57.03443	2.2
57.95476	1.1
59.01373	11.6
66.03956	1.2
67.01881	4.6
68.99806	3.9
69.03461	3.0
71.01368	5.9
73.02948	1.4
74.99355	1.1
79.88648	1.0
83.01435	1.2
83.05014	1.8
87.28389	1.0
89.00945	1.1
95.05017	2.8
95.08667	7.2
96.38902	1.2
99.00880	8.9
101.00922	5.9
101.02441	11.4
101.43180	1.0
109.06574	3.2
110.82427	1.1
111.00868	3.7
111.04536	1.3
112.04048	1.8
112.98817	9.4
114.01968	3.0
115.02492	3.9
117.00445	56.3
118.00576	1.2
121.06604	13.3
123.04559	1.2
126.98817	1.4
127.02541	2.3
127.04022	10.9
129.01907	1.4
130.08725	1.9
131.02003	60.3
132.02057	1.2
139.07651	100.0
140.08006	2.3
141.00429	4.0
151.07561	1.1
156.99930	23.6
159.01549	1.2
165.05562	27.3
168.99913	3.1
171.01524	2.9
173.00946	3.1
173.03014	3.5
183.01546	1.3
183.06622	24.3
195.06628	1.2
196.99342	1.4
199.00966	11.0
209.11839	1.7
222.92151	1.1
227.00607	8.0
227.05624	34.4
227.09137	2.3
227.20120	7.1
228.03665	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	13.9
64.24230	0.4
67.01887	41.7
68.02213	0.4
68.99814	38.0
69.03451	12.8
70.89705	0.5
81.03461	1.1
83.05042	0.6
93.03445	0.6
94.25449	0.4
95.05045	0.8
97.02982	0.5
99.04510	0.7
101.02438	100.0
102.02788	1.3
107.05032	1.5
108.02185	0.6
112.01641	2.2
119.05024	0.9
119.71898	0.4
121.02958	0.8
121.06606	1.0
123.04487	0.4
125.02377	0.8
127.04008	88.7
128.04324	1.7
133.06570	0.5
146.83197	0.4
149.06093	1.0
151.03999	1.1
151.07704	0.8
157.05090	3.0
167.10812	0.6
177.05486	0.8
195.06598	0.9
209.08144	2.3
209.11710	0.5
213.05823	0.5
219.31816	0.6
227.09250	15.1
227.12781	6.8
227.20088	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60466	0.9
67.01890	50.3
68.02237	1.1
68.99815	43.4
98.21768	1.5
101.02441	100.0
101.10335	0.8
102.02787	1.0
106.60725	0.9
107.05024	1.6
112.01661	2.7
118.40394	0.7
121.06579	1.2
125.13126	0.9
127.04010	96.2
128.04346	1.5
149.06062	1.3
167.47876	0.8
177.05571	0.9
209.08183	1.2
227.09241	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	227.1289
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
54.47873	0.3
56.64066	0.3
60.68037	0.3
69.03426	0.4
71.05007	0.6
71.07404	0.4
80.02676	1.9
81.03441	1.9
83.01371	0.5
83.05023	7.1
84.02163	4.9
95.05035	0.8
97.06582	0.3
109.06616	0.4
118.41449	0.4
125.06062	0.7
125.09729	0.4
135.08159	1.1
147.11740	0.5
163.11273	5.3
165.12823	3.0
181.12311	1.2
191.10805	1.7
209.11823	100.0
210.12160	2.9
227.12907	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	227.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99823	0.5
70.15099	0.9
80.02679	2.0
81.03442	1.2
83.01379	0.5
83.05024	6.9
84.02158	4.1
95.05016	1.4
97.06612	0.5
100.23373	0.4
129.31583	0.5
132.91045	0.4
135.08153	1.1
163.11287	5.6
165.12828	2.5
181.12376	1.2
191.10793	1.6
199.13374	1.9
209.11823	100.0
210.12177	2.0
223.03638	0.4
227.09335	0.5
227.12885	4.5
239.18645	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01871	1.0
68.99770	0.9
70.72045	0.6
75.10932	0.4
83.15350	0.4
85.21752	0.4
101.02428	1.8
106.19359	0.4
111.08168	0.9
127.03998	2.2
133.17755	0.4
165.12840	20.8
166.13148	0.5
183.13892	100.0
184.14236	2.5
199.13396	1.1
205.64262	0.5
209.11868	5.4
225.26599	0.4
227.12892	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	227.1289
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
52.34203	0.3
57.03428	0.4
61.59235	0.3
67.01897	0.5
69.81089	0.6
74.88344	0.3
79.01617	0.4
83.05029	0.4
101.02452	1.2
111.08176	0.9
124.38332	0.3
127.04005	1.2
142.55479	0.3
144.66728	0.3
165.12843	19.9
166.13220	0.9
183.13896	100.0
184.14272	2.7
192.07742	0.3
199.13373	0.5
209.11830	4.2
227.12885	26.3
228.13193	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
52.83029	0.7
55.79087	0.8
59.01391	1.2
63.25773	0.7
67.01878	3.2
68.99811	1.8
70.58602	0.9
71.05022	1.1
72.72097	0.7
80.02686	2.4
81.03470	2.0
83.01380	1.3
83.05033	6.8
84.02178	3.8
89.91984	0.8
95.01376	3.4
95.05018	1.3
98.22109	1.5
99.00882	2.3
101.02443	4.4
111.00875	2.6
111.04535	0.8
112.98818	2.5
114.05584	0.9
117.86562	0.9
125.06059	1.1
127.04005	3.0
139.00383	1.9
139.01477	0.9
139.07631	0.8
139.11278	4.4
140.40639	0.7
147.11766	0.8
163.11241	5.6
165.12840	4.0
183.13905	2.8
191.10715	1.5
199.13405	1.5
209.11826	100.0
210.12161	2.7
227.09122	1.1
227.12878	6.9
227.20200	1.4
234.73828	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1653
Annotation	13-Hydroxy-2-tridecenoic acid
Peak:m/z	Relative Intensity
54.51772	0.6
57.13488	0.6
59.01369	1.1
59.35944	0.6
67.01888	8.6
68.99821	6.7
69.31383	3.1
80.02686	1.2
83.05035	2.0
84.02161	1.1
98.22629	1.0
101.02449	17.6
114.76201	0.6
120.77749	0.6
127.04013	16.4
139.11259	0.7
144.06718	0.6
163.11307	1.3
165.12862	1.3
183.13927	2.3
188.14452	0.7
197.15475	11.1
199.13377	3.6
209.11845	27.6
209.15417	11.2
225.14896	1.3
227.02257	0.9
227.09308	1.6
227.12888	8.9
227.16536	100.0
228.16841	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1081
Annotation	Caiophoraenin
Peak:m/z	Relative Intensity
53.79023	0.5
55.61631	0.4
57.03446	1.1
60.99308	0.9
61.25887	0.5
69.03463	2.9
70.78409	0.5
71.05012	0.8
71.29717	0.5
72.99290	0.6
85.06592	1.0
99.08169	5.3
121.10239	1.8
123.11788	2.4
125.09696	0.7
135.23560	0.4
155.10780	14.5
167.10780	100.0
168.11157	1.7
183.13892	3.5
185.11836	28.5
186.12056	0.8
193.12306	0.5
211.09821	3.1
211.13420	56.0
212.13721	1.3
229.10828	6.6
229.14378	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	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03439	0.4
66.47982	0.4
69.25169	1.4
69.25581	0.8
83.64337	0.5
98.62321	0.4
102.53194	0.5
114.39996	0.4
138.04155	0.5
141.25731	0.4
153.12923	0.6
156.77141	0.4
165.12914	1.1
167.14420	33.8
168.14682	0.7
183.13913	0.6
185.15430	0.8
192.47910	0.6
211.13405	50.0
212.13696	1.7
229.02524	1.1
229.14444	100.0
230.14766	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1443
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03429	1.2
64.24086	0.3
64.25032	0.3
69.37358	1.8
69.60255	0.3
83.05020	0.9
84.02171	0.6
85.02946	0.3
98.21849	0.6
113.24741	0.3
117.55482	0.3
125.08930	0.4
125.09740	2.2
127.11295	2.8
155.14369	1.1
165.12848	0.4
167.14389	2.5
171.10265	3.7
183.13875	1.4
185.07129	0.8
193.12296	0.5
209.11815	2.7
211.13388	8.8
221.10307	0.4
229.14429	100.0
230.14746	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	230.0126
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
57.01489	0.8
57.03431	0.8
59.01372	2.3
61.59619	0.7
66.03493	1.0
70.99594	0.7
71.01337	0.7
72.99316	2.6
73.01157	5.6
76.34167	0.7
80.05057	2.6
82.02982	8.0
82.51498	0.6
96.04549	28.5
98.99091	5.2
99.02741	0.8
108.04553	28.9
114.00191	82.8
115.00542	0.9
120.65182	0.7
122.06969	1.4
123.08155	1.1
124.08485	1.3
130.08728	1.5
132.98177	1.9
137.06050	1.9
138.06410	6.6
139.07640	0.7
142.03319	100.0
143.03586	1.5
143.11897	0.7
156.07399	0.9
168.07495	2.2
169.08685	1.2
170.88347	1.0
172.43025	0.8
186.02295	41.6
187.02605	0.9
188.97160	2.6
199.06206	0.8
201.07634	0.9
211.13184	0.8
212.06461	2.6
230.01274	80.9
230.07521	5.7
230.09947	1.1
231.01631	1.9
231.08679	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	233.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.5
57.03445	21.6
57.27897	1.9
59.01379	100.0
65.18273	2.1
67.01899	5.2
67.05900	2.3
69.21445	12.2
71.01379	66.3
73.02951	16.0
74.90150	2.7
83.01380	15.9
85.02959	15.4
90.56332	1.8
99.00880	94.1
101.02477	3.0
104.47483	2.0
111.00880	30.6
129.01942	36.7
173.00891	8.4
188.99823	3.4
195.65306	2.1
215.80006	2.0
233.15500	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26734	0.2
59.01375	0.5
59.96720	0.6
60.97509	0.5
69.93106	0.5
69.93466	0.5
74.99068	6.4
75.00908	0.4
91.02208	0.8
93.00144	1.8
104.43865	0.3
118.96288	0.8
133.98590	0.3
134.99413	5.7
136.97343	1.6
141.07436	0.3
143.05371	0.7
149.00957	63.5
150.00873	1.2
150.98848	0.5
159.08461	1.6
161.06392	3.2
201.04124	0.4
215.05597	0.7
217.07208	85.3
218.07361	2.9
233.10339	100.0
233.15285	7.9
234.10506	4.0
235.08318	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1338
Annotation	2-Methoxy-6-heptyl-1,4-benzoquinone
Peak:m/z	Relative Intensity
57.03446	1.7
59.01376	4.2
69.03458	6.1
69.97728	0.8
69.98071	1.8
71.05006	3.5
77.76925	0.8
83.05016	3.8
84.02161	1.7
92.92794	1.8
93.03452	1.3
95.05032	2.2
97.06582	4.8
99.62350	0.8
108.02193	1.9
109.06586	1.0
110.03747	0.9
123.04581	0.8
137.09731	3.5
151.07538	1.2
151.11285	1.3
173.13347	2.1
177.12848	1.7
179.14474	4.2
189.12817	3.8
191.14418	6.3
207.11934	1.9
207.13908	38.8
208.14256	1.1
217.12315	4.8
235.13385	100.0
235.93045	1.0
236.13698	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	235.1703
Annotation	Bicyclohumulenedione
Peak:m/z	Relative Intensity
52.58833	0.1
59.01379	4.2
61.98821	0.1
70.52043	0.1
71.01372	0.4
71.43662	0.1
71.45874	0.1
79.95741	0.2
81.03469	0.2
83.05018	0.6
85.03842	0.1
91.49316	0.1
92.92800	0.4
93.03429	0.2
95.45478	0.1
113.06104	0.1
113.09718	0.2
132.99100	0.1
149.03799	0.2
161.13327	0.2
163.14951	0.5
176.90112	0.2
189.16467	0.2
191.18054	2.2
217.15996	1.3
233.15479	1.0
235.17024	100.0
236.17352	3.9
244.37888	0.1
256.83273	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	236.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
61.59901	0.1
61.98833	0.2
63.48549	0.1
69.08435	0.1
71.04986	0.1
85.95824	0.1
105.06816	0.1
110.32748	0.1
134.03719	0.5
135.04498	0.3
136.05301	0.4
148.05304	7.2
149.05949	0.4
149.09714	0.8
151.08694	0.2
162.06848	0.3
175.07643	0.3
176.08484	0.6
177.09206	37.7
178.09576	1.2
180.08008	0.1
190.09991	1.8
191.10728	0.8
192.11557	29.3
193.11923	1.4
201.09137	0.6
203.07109	0.6
217.08673	2.8
218.09467	7.5
219.09883	0.3
236.10530	100.0
237.10901	3.9
237.14693	0.8
258.71536	0.1
259.50476	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	237.0617
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
57.03449	1.9
57.97218	0.2
59.01377	1.9
65.54152	0.2
71.01387	1.2
72.99299	0.2
73.02937	0.2
75.00874	3.9
78.95904	4.8
85.02944	1.9
87.00877	100.0
88.01205	0.8
89.02443	0.5
91.75376	0.2
97.03002	0.2
99.00832	0.2
101.02454	0.5
105.01958	0.2
106.12852	0.2
113.02422	0.2
129.01944	11.9
135.52649	0.2
147.02922	0.3
194.93736	0.3
219.05147	0.6
230.56876	0.2
237.06168	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	237.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64835	0.8
55.01875	11.6
57.03449	6.7
58.00583	1.0
59.01378	100.0
62.91339	0.8
68.01411	0.9
68.23847	0.8
69.03452	1.4
69.41970	3.7
70.43692	0.8
71.01380	91.0
72.99312	1.9
73.02946	37.6
74.99088	0.9
75.00877	3.4
75.04505	1.1
83.01382	20.2
85.02948	48.0
87.00874	5.7
89.02447	17.2
91.62336	1.1
92.05737	0.9
95.01380	6.2
97.02970	2.6
98.21775	0.8
99.00876	11.0
101.02442	97.5
108.15508	0.9
111.00864	1.4
113.02444	42.0
113.03244	2.0
116.13091	0.8
119.03510	4.4
125.02431	1.4
129.01990	2.0
131.03445	1.0
143.03474	2.6
143.17342	1.0
159.02982	8.2
161.03207	1.9
161.04561	38.5
213.95486	0.8
237.09784	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1495
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
57.03447	17.7
59.01374	4.3
69.03468	0.6
69.59357	1.6
70.89482	0.4
74.66034	0.4
82.12955	0.4
83.05025	3.1
96.96008	0.6
109.06567	1.1
132.46449	0.4
149.09734	0.8
167.10741	2.8
177.05557	0.4
177.12721	1.0
179.10786	3.1
193.15994	2.8
195.13846	4.1
219.13850	1.3
237.14946	100.0
238.15288	3.1
245.15356	0.4
255.78046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1497
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
57.03419	1.9
59.01381	5.3
69.03454	1.5
69.15473	4.6
71.01370	1.1
71.05019	16.6
73.01003	0.7
83.05020	1.1
85.02946	1.2
93.03423	0.9
97.06596	8.3
101.02464	0.9
109.06577	1.3
111.08153	0.9
116.92908	1.2
121.10216	1.0
123.08144	0.8
123.97554	0.8
153.09196	2.7
154.90678	0.7
165.09212	1.8
175.14925	1.2
179.10628	0.9
193.15985	7.6
209.15456	23.6
219.13908	13.8
223.10475	0.8
237.14949	100.0
238.15196	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	237.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	17.0
59.01375	4.7
64.25011	0.4
71.01385	0.7
83.05030	3.1
88.77891	0.3
96.95960	0.4
97.06620	0.5
99.08147	0.4
101.02438	0.4
103.64899	0.4
109.06606	1.5
116.92899	0.5
118.96669	0.4
139.11301	0.9
141.09225	0.4
149.09718	0.7
167.10771	3.1
177.12701	0.6
179.10745	3.6
193.15938	1.9
195.13898	3.8
219.13931	1.0
237.14954	100.0
238.15282	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	237.1493
Annotation	Oxyphyllenodiol A
Peak:m/z	Relative Intensity
50.48611	0.5
52.21392	0.4
57.03456	0.8
59.01377	14.5
70.75443	0.6
71.01374	0.6
80.02673	2.0
81.03460	5.0
82.14392	0.4
93.03450	0.7
95.05031	0.6
122.03731	1.3
123.08149	6.3
125.09714	9.2
125.10596	0.7
137.09712	2.9
149.09682	3.0
163.11278	1.6
165.12843	9.2
169.08690	1.6
175.14897	0.8
178.09956	1.0
179.10777	13.3
180.07910	0.8
180.11090	0.7
191.14388	1.7
193.15898	2.2
194.70897	0.4
201.10777	0.4
219.13815	0.9
237.14937	100.0
238.15256	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	237.1496
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
57.03448	18.0
59.01380	3.5
64.16570	0.3
69.78053	0.9
71.01350	0.4
83.05025	3.1
85.06584	0.4
92.46954	0.3
97.06609	0.3
109.06588	1.3
135.11789	0.7
141.09238	0.6
141.52834	0.3
149.09691	0.9
167.10768	3.4
175.89920	0.3
177.12843	1.1
179.10820	2.3
193.16011	3.1
195.13902	4.4
219.13914	0.8
237.14951	100.0
238.15305	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	239.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62713	0.6
59.01381	100.0
64.85365	0.6
65.37679	0.6
69.03474	0.9
70.57127	1.1
71.01387	6.0
73.02954	3.1
75.00877	0.9
77.31880	0.7
81.03469	0.8
83.01376	1.4
85.02945	5.5
87.00878	19.2
89.02457	3.0
97.02942	1.8
99.00874	5.4
101.02443	3.9
105.01939	1.0
113.02438	1.3
117.01946	4.8
125.02470	2.6
129.01939	1.0
131.03554	2.0
141.01944	2.2
159.03041	1.2
161.04556	18.1
165.04106	2.3
165.97316	0.8
177.04106	1.5
179.05618	78.8
180.06056	1.5
190.22769	0.8
221.06633	6.0
239.07751	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	239.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
69.03472	0.9
69.94075	0.9
69.94398	1.8
71.01379	3.2
73.02948	2.1
78.35006	0.7
78.95901	10.8
80.96503	1.6
83.01357	1.1
83.05035	1.1
85.02949	4.4
87.00877	17.7
87.56997	0.8
89.02447	1.2
95.01344	0.8
97.02939	2.4
99.00876	4.8
101.02436	2.1
108.02216	1.7
112.07552	0.9
113.02430	1.1
117.01933	4.3
125.02446	2.9
128.86336	0.7
134.96135	1.2
136.01680	6.3
136.93985	2.6
136.94965	1.1
137.02551	0.8
141.01924	2.9
152.01118	1.6
159.02989	1.5
161.04555	16.5
165.05550	3.0
167.03497	2.5
175.18611	0.9
177.03966	0.8
178.94891	3.8
178.96033	7.5
179.05612	79.3
179.87027	0.8
180.00439	0.9
195.03088	0.9
195.06587	3.1
223.02831	1.3
226.65445	0.7
239.02005	1.0
239.05702	2.5
239.07784	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	239.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.4
59.01377	1.6
59.96717	0.6
65.16750	0.1
67.01855	0.2
69.03454	0.2
70.01156	0.4
71.01378	0.2
74.99072	11.4
81.03446	0.2
83.01390	0.2
83.05030	0.9
84.02145	0.3
85.02950	3.1
87.00871	0.3
87.53739	0.2
91.02211	11.0
93.00134	4.1
95.68320	0.1
97.02930	0.2
117.01856	0.1
126.74766	0.1
143.63495	0.2
149.00960	4.7
150.01010	0.2
150.98911	0.3
154.34169	0.2
155.10712	0.2
161.04527	0.3
171.10284	0.3
175.81255	0.1
177.12782	0.2
179.05606	1.6
193.12473	0.2
195.13898	0.5
206.99687	2.6
208.00079	0.2
221.04756	0.2
221.11861	1.9
223.02824	100.0
224.02852	5.2
238.67451	0.1
239.05849	1.3
239.12874	4.2
240.13139	0.2
241.03871	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	239.1288
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
51.26937	0.2
54.61326	0.2
59.01384	1.6
59.01628	0.3
69.03429	0.4
87.00881	0.5
94.04243	0.4
95.05016	0.9
99.08139	0.4
101.06080	8.7
103.31479	0.3
109.06586	5.2
111.08160	5.7
118.55041	0.3
122.03726	0.6
125.09701	0.9
135.11816	0.6
138.06876	3.1
139.04005	13.7
139.07625	0.3
151.11230	0.5
154.06360	34.3
155.06721	0.6
167.14415	9.6
179.05600	1.3
179.10779	5.4
180.11519	0.5
182.05838	3.2
185.15454	0.4
195.13898	100.0
196.14241	2.8
223.02914	0.3
227.06993	0.3
239.06735	0.5
239.12901	9.1
239.16595	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97821	0.3
57.76584	0.4
59.01379	4.9
61.50150	0.4
69.22826	1.4
69.23233	0.6
73.16006	0.4
74.53572	0.4
83.05018	0.5
85.02966	0.9
85.32937	0.3
85.98548	0.4
97.06606	0.4
102.85904	0.4
127.62531	0.4
143.54898	0.4
159.11819	0.5
176.51552	0.4
177.12833	3.5
179.05602	2.2
188.72098	0.3
195.13902	100.0
196.14209	3.2
203.10774	0.6
221.11797	0.9
223.02896	0.5
239.12885	15.5
239.16531	0.7
240.13364	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45852	0.6
55.01868	3.7
57.03445	14.4
59.01379	4.2
62.79646	0.7
67.01886	4.3
69.03457	3.6
69.27908	1.7
69.28310	1.4
69.47771	0.6
71.01381	1.0
71.05006	2.1
74.84976	0.6
79.20828	0.7
80.02702	1.4
81.03459	4.3
83.01369	6.1
83.05024	22.0
84.02156	6.0
84.67621	0.7
85.02946	100.0
87.00875	0.8
88.84561	0.6
95.05042	0.9
97.02943	11.4
97.06615	1.1
106.04247	0.8
108.02167	0.7
109.06580	4.1
110.03724	3.6
123.04545	1.3
123.08201	1.0
125.09728	1.4
127.11278	1.5
133.11603	0.6
136.05272	1.0
136.80916	0.6
137.09724	0.8
153.09225	1.4
155.10797	5.8
163.11288	0.9
171.10251	13.9
175.11285	1.2
177.12849	6.0
178.91393	0.7
179.05609	2.1
179.10762	0.7
193.12311	8.2
193.31670	0.7
195.13910	4.2
203.10706	1.2
207.10268	4.6
211.13408	1.8
221.11815	32.4
222.12210	1.8
239.12868	77.9
240.13248	2.7
253.41919	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48916	0.6
55.01876	3.3
57.03450	11.4
59.01376	3.1
67.01894	4.1
69.03456	3.0
69.76437	2.0
69.76794	0.5
71.01356	0.6
71.05015	1.7
72.88951	0.5
74.19925	0.5
80.02686	2.3
81.03452	6.0
83.01392	4.4
83.05024	24.7
84.02168	8.0
85.02949	100.0
85.77944	0.5
86.03275	1.0
95.05008	1.3
96.55542	0.6
97.02944	11.6
97.06602	0.9
98.22610	0.6
99.04555	0.8
106.04240	1.1
108.02164	1.0
109.06600	5.6
110.03710	4.5
111.04562	0.6
111.08132	0.6
114.38708	0.5
121.06661	0.7
123.04540	1.4
123.08152	1.1
125.09734	1.3
133.93823	0.5
136.05281	1.4
149.09659	0.7
151.07587	0.6
155.10783	5.8
165.12845	0.7
171.10268	9.2
175.11266	1.2
177.12849	8.3
179.05588	1.1
179.10725	0.9
193.12346	6.5
195.13881	6.7
203.10835	1.3
211.13371	2.2
217.20441	0.6
221.11819	58.9
222.12180	2.3
239.12875	97.2
240.13226	3.6
250.04849	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.165
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
59.01377	27.9
62.68150	1.2
66.83795	1.2
69.03451	1.4
69.53356	5.7
74.99051	2.0
83.05016	3.7
85.02936	7.9
87.00877	4.8
91.02197	1.9
93.00085	1.7
96.95991	1.4
97.02979	1.5
99.00862	1.6
101.09568	1.2
150.77348	1.4
161.04576	5.4
171.11887	1.3
179.05617	24.2
179.58516	1.3
183.13885	28.3
195.13899	4.9
207.10196	1.3
209.15508	10.7
221.11832	5.1
221.15468	49.9
221.17639	2.7
222.15779	2.0
223.02838	21.1
224.02774	1.4
224.04803	2.4
239.03551	1.4
239.06871	2.5
239.12921	10.5
239.16521	100.0
240.16859	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1653
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
59.01378	8.1
61.98829	1.0
67.99706	0.5
78.46801	0.5
83.05000	0.7
85.02950	3.6
87.00886	1.0
91.02175	0.9
92.57248	0.5
96.95998	1.3
98.22626	1.0
101.06084	1.2
109.06571	0.8
136.01546	0.5
139.03996	1.2
154.06404	2.6
160.84268	0.6
161.04549	0.9
167.14378	0.8
179.05617	5.6
180.62280	0.5
193.15988	0.9
195.13895	9.9
195.17543	0.9
211.17030	9.7
211.18961	0.4
212.17278	0.7
221.11900	1.8
221.15471	4.4
223.02786	4.6
224.00682	0.8
224.04823	0.8
235.77888	0.6
239.06883	3.8
239.12679	2.6
239.16530	100.0
240.16847	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	241.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.4
67.01887	27.7
68.99816	34.8
69.03463	6.6
69.34573	5.3
87.00857	1.8
93.03460	1.8
95.01385	2.3
95.05025	100.0
99.04521	1.9
101.02443	60.0
106.04229	10.0
111.00875	32.2
111.04549	2.2
121.02148	1.8
121.02956	28.0
121.06599	23.6
121.11522	1.6
123.03694	1.5
123.04509	8.0
127.04015	66.3
139.00375	63.8
139.04004	15.3
139.07628	4.4
140.00708	1.5
147.04524	1.9
149.02467	2.9
153.09206	17.0
165.04327	1.4
165.05554	8.7
169.36580	1.4
197.08150	4.4
209.04453	1.9
241.07166	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80975	0.9
59.01375	1.8
67.01891	32.5
68.99816	36.6
69.03448	7.4
69.22649	4.6
72.21327	0.8
85.62694	1.0
95.05025	100.0
96.05370	2.1
97.02952	1.0
98.22698	1.5
99.04550	1.9
101.02443	57.0
102.02785	1.2
111.00879	29.2
112.01734	1.1
120.40430	1.0
121.02962	20.3
123.04517	6.5
127.04012	68.1
136.91690	1.0
139.00374	59.4
139.04012	13.9
140.00710	1.2
145.10735	0.9
147.04507	1.7
149.02504	1.3
165.05550	3.6
166.85118	1.0
169.83058	0.9
171.02974	1.4
180.64821	0.8
185.07213	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33417	0.7
53.62644	0.7
59.01361	1.2
59.31058	0.8
67.01519	1.4
67.01887	31.4
68.99815	38.3
69.03462	7.5
69.62350	2.4
69.62740	1.7
69.70233	0.8
74.37272	0.9
80.48543	1.0
82.43697	0.8
95.01389	1.6
95.05024	100.0
96.05362	2.0
99.04538	1.0
101.02441	58.0
102.02725	1.1
111.00146	1.6
111.00877	26.3
111.04495	1.8
112.01649	2.0
121.02125	1.6
121.02954	19.7
123.04511	5.1
125.02425	0.8
127.04011	67.5
139.00377	59.8
139.01234	0.6
139.03996	15.4
140.00714	1.2
143.10196	0.8
147.04547	1.1
149.02406	1.4
158.77061	0.8
163.35799	0.8
165.05554	4.3
171.02930	2.0
201.51718	0.8
230.90048	0.8
241.07146	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	241.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01812	2.0
67.01888	44.3
68.99813	37.9
69.00169	2.9
69.03448	8.5
69.21767	5.2
69.22182	4.1
88.03416	1.4
95.05026	100.0
99.04502	2.6
101.02444	58.0
111.00882	26.8
111.04501	2.2
121.02962	19.6
122.20360	1.8
123.04510	5.8
127.04012	96.8
139.00374	70.4
139.03995	18.2
147.04483	1.7
149.02463	3.5
151.53503	1.9
165.05626	2.9
249.91013	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	241.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.2
67.01524	1.4
67.01889	31.5
68.99819	39.6
69.03460	7.1
83.74239	1.1
87.86829	1.0
89.43684	1.1
95.01385	1.6
95.05028	100.0
96.05363	1.5
101.02447	58.7
111.00886	31.6
111.04526	1.4
112.01712	1.7
113.06079	1.2
117.65293	1.0
121.02962	19.0
123.04539	5.1
127.04018	72.5
137.06062	1.1
139.00385	62.1
139.04005	12.0
140.00703	1.3
147.04567	2.4
149.02406	1.6
165.05585	4.2
171.03156	1.3
219.36386	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.2
61.68197	0.9
67.01887	30.6
68.99815	37.2
69.03452	7.1
69.61521	1.8
69.61903	2.3
92.99797	1.0
95.01411	0.8
95.05028	100.0
96.05374	1.5
101.02444	60.4
111.00875	29.9
111.04501	2.7
121.02956	20.8
123.04502	5.2
127.04015	67.1
128.04395	1.2
137.05986	1.4
139.00378	71.4
139.04007	14.2
147.04568	1.4
165.05573	3.7
168.79663	1.0
171.02991	2.2
240.10393	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.108
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
55.01874	0.9
57.03453	0.9
68.99808	0.9
69.03452	3.7
71.05013	3.6
95.05024	2.5
97.06573	0.9
101.02426	1.2
123.08180	1.1
125.09726	2.1
127.04011	1.6
137.88200	0.4
139.00388	1.2
151.11235	1.4
153.12874	3.6
161.09721	1.4
179.07259	0.5
179.10771	6.5
197.11830	100.0
198.12129	3.0
223.09831	2.6
226.06474	0.5
226.32635	0.5
229.28378	0.6
241.10814	91.1
242.08904	0.4
242.11078	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	241.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
57.03448	1.2
59.01387	0.4
59.28791	0.3
67.01874	1.1
68.99817	1.5
69.03448	3.5
69.95631	1.1
71.01381	0.4
71.05015	4.6
79.22427	0.4
81.03418	0.4
83.05048	0.5
95.05029	4.4
97.06548	0.5
98.22498	0.5
101.02448	2.3
110.56142	0.4
111.00894	1.4
121.02976	0.9
123.08163	1.3
125.09718	1.9
127.04017	2.4
139.00398	2.0
139.03955	0.8
151.11285	1.5
153.12865	3.6
161.09714	1.7
179.10786	6.3
197.06032	1.7
197.11824	100.0
198.12184	3.3
223.09756	2.6
241.10806	90.0
242.11174	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	241.1082
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
57.03456	0.9
57.32335	0.6
58.00599	1.0
59.01381	3.9
67.01891	11.6
68.99813	17.5
69.03466	4.6
70.01291	2.1
71.01382	4.6
73.02955	6.4
83.01385	0.9
83.05030	1.2
85.02953	1.6
87.00868	2.0
95.05029	35.1
96.33991	0.6
97.06576	1.4
101.02447	21.6
101.03100	1.4
111.00887	8.6
111.04530	1.6
115.04010	4.4
121.02967	8.0
123.04507	1.8
125.06105	0.7
125.09715	3.6
127.04018	24.9
127.11284	1.1
137.09726	1.8
138.99281	1.3
139.00378	24.8
139.04004	5.9
141.05583	3.8
149.02403	0.7
149.09753	0.8
151.07599	0.7
151.11302	3.8
153.09198	2.5
155.10793	5.8
161.09705	3.1
165.05565	2.0
165.09177	3.4
169.12343	100.0
170.12703	3.2
171.02986	0.7
179.10747	3.9
181.08710	3.0
183.10216	3.4
195.10197	1.4
197.11842	18.9
205.08725	0.8
213.11293	1.4
214.78384	0.8
223.09753	8.0
226.06288	1.5
241.08904	1.9
241.10818	48.2
242.11179	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	241.1446
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
57.47686	1.2
61.98811	1.7
62.84904	1.4
67.01891	2.2
68.99789	1.5
69.55859	3.5
69.56261	3.0
69.61610	1.5
71.01329	1.5
80.02667	1.7
81.03455	6.0
82.17396	1.4
83.01392	20.5
83.05022	3.0
84.02160	8.1
90.75705	1.6
95.05005	8.1
97.06578	3.1
101.02461	3.9
111.00881	2.4
113.97664	1.4
121.02970	2.0
123.08131	2.1
125.09730	16.6
126.87323	1.7
127.04012	4.4
127.42371	1.6
135.08206	2.5
136.99255	1.4
139.00369	3.0
147.11804	2.0
163.11276	6.5
165.12860	5.4
173.91866	1.3
191.10753	23.3
192.10925	1.6
197.11823	2.6
209.11826	43.4
223.13443	12.4
225.02475	3.3
226.06302	13.5
226.12088	21.3
241.04988	4.8
241.08952	10.0
241.14444	100.0
242.14647	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	242.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.7
58.47271	0.9
59.01370	3.5
61.98815	4.9
65.81901	1.0
69.03454	1.0
72.04542	23.2
77.69724	0.9
78.95908	1.7
82.02982	80.7
83.01396	2.8
84.04510	1.0
85.06593	2.0
93.07088	0.9
96.04551	2.5
97.02914	1.3
98.02472	14.3
98.06119	1.2
99.00880	3.2
100.04041	36.6
101.02444	4.1
101.04396	1.1
107.05044	8.0
110.02482	2.7
110.06145	1.7
112.04066	5.4
112.07684	20.1
112.98816	1.3
114.05606	9.0
124.04043	2.7
124.07675	3.2
125.06073	3.0
126.05595	1.4
126.09246	1.6
128.03551	1.0
134.06134	3.0
136.07677	15.1
137.06067	3.3
140.07149	9.8
150.05585	1.0
152.07109	1.4
154.08719	4.6
168.06673	2.9
170.08214	3.9
180.06651	2.1
184.14503	0.9
196.06143	22.8
198.07724	21.1
202.21280	0.9
214.07204	4.9
242.06680	100.0
243.06970	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	242.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.2
61.98825	3.6
68.13598	1.7
74.99084	6.3
75.99020	4.0
76.98749	4.9
82.06641	2.9
85.00412	3.9
91.02197	5.8
92.02164	2.6
93.00132	2.0
93.01879	5.0
101.02435	2.6
114.55834	2.1
120.62164	1.8
149.50523	1.8
155.37228	1.8
170.15500	13.5
198.14996	97.8
199.15141	2.7
209.99397	2.8
211.13321	3.5
225.02534	8.1
226.02611	100.0
227.02301	6.8
242.13902	5.0
242.17603	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0622
Annotation	Uridine
Peak:m/z	Relative Intensity
55.01870	1.2
59.01368	2.3
66.03487	14.0
68.01393	1.8
69.65169	2.3
71.01369	1.6
71.30319	0.8
76.84570	0.8
81.02200	1.0
81.97335	0.9
82.02985	33.9
83.01363	1.7
84.04523	1.7
94.02979	3.7
96.04564	2.1
97.02966	0.9
107.24767	0.7
108.04565	1.5
110.02479	100.0
111.00945	0.8
111.01990	6.6
111.02775	1.7
112.53629	0.8
112.98816	1.7
117.01926	0.9
120.04534	1.5
122.02466	7.1
124.04028	2.0
132.03046	1.4
140.03532	11.8
142.99890	1.1
152.02415	1.4
152.03540	18.7
153.03036	10.1
164.03575	1.1
173.00919	1.8
182.04671	0.9
183.01440	1.4
186.99207	1.6
189.00822	1.8
200.05653	45.2
201.06073	1.2
205.03506	1.6
235.07729	1.0
242.98256	1.3
243.06203	33.4
244.06462	1.1
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	Pandangolide 1
Peak:m/z	Relative Intensity
55.01863	1.7
57.03445	2.8
59.01377	24.1
69.03448	2.8
69.26605	8.0
70.82497	1.9
71.01382	7.0
71.05013	2.0
73.02955	3.8
73.31763	1.8
74.41627	1.6
75.99123	1.7
80.02679	3.5
80.57190	1.6
81.03450	12.0
83.05024	10.9
84.02161	5.9
97.02941	19.1
97.06599	1.9
98.21896	3.7
99.00874	3.3
99.04565	2.3
101.02431	1.9
106.04218	3.2
107.04996	3.0
109.06589	80.6
110.03738	8.8
110.06928	2.3
113.41978	1.8
117.27994	1.8
121.06562	5.6
123.04439	2.0
125.06137	2.3
125.09719	6.2
127.11260	2.6
135.08131	12.4
136.05283	3.3
142.02721	5.1
161.09709	5.5
163.09991	3.0
163.11293	38.7
171.10291	4.0
181.12309	16.3
185.11813	9.9
199.09698	7.2
199.13382	2.2
205.08792	2.2
206.72121	2.0
207.10255	100.0
208.10649	3.3
215.12889	3.0
225.11316	61.5
243.12334	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	243.1237
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
55.00844	3.3
58.00568	4.6
58.22568	3.6
59.01369	13.7
59.12653	3.0
67.01873	4.9
69.57352	9.3
71.01369	5.8
73.02949	12.3
80.98921	3.2
81.03487	3.7
84.02168	4.2
85.00436	20.8
93.03432	3.0
94.26759	3.0
97.02965	6.6
99.92650	3.6
101.16038	3.2
109.06599	40.7
125.09699	8.1
127.11247	3.7
135.08177	4.4
136.89156	4.9
137.09750	7.5
155.10796	6.3
161.08235	5.1
163.11284	22.3
171.10272	29.0
181.12344	12.5
183.56319	2.9
197.11726	3.7
199.09746	100.0
199.11537	6.2
207.10252	82.2
215.12881	17.1
225.11328	87.7
243.12398	15.2
254.39648	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	243.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23574	0.8
59.01384	1.1
64.97549	0.8
67.47095	0.9
69.32022	4.3
71.01385	1.2
71.05018	2.9
74.70621	0.8
83.05045	1.6
95.05028	0.8
97.02940	5.0
97.06557	2.0
97.37652	0.9
98.22589	2.0
99.00880	18.3
101.02419	1.2
109.06584	2.5
110.03740	4.1
111.70139	0.9
123.08163	1.4
123.81479	0.9
125.09731	6.2
127.11330	1.4
135.08156	1.2
136.05310	1.4
136.35208	0.8
141.09132	0.9
163.11292	9.3
166.13040	0.9
171.10252	1.4
181.12344	22.3
197.11810	1.3
199.13393	18.9
207.10249	43.9
208.10686	2.1
225.11319	78.0
226.11632	2.8
243.12358	100.0
244.12735	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	243.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52120	0.6
55.01857	0.7
57.03434	1.5
59.01378	12.4
69.16956	3.9
71.01348	1.2
71.05006	2.3
73.02934	1.4
75.99551	0.6
81.03455	0.6
83.94765	0.6
95.01488	0.6
97.02980	3.5
97.03492	0.6
97.06575	1.1
99.00875	8.6
103.05473	0.7
109.06576	1.4
110.03712	2.6
110.04900	0.6
123.08133	0.7
125.09689	4.9
127.11298	3.2
139.11293	6.3
153.12802	1.1
163.11267	5.7
164.07100	1.0
171.10294	0.8
181.12331	17.9
183.10278	8.4
197.11812	1.6
199.13385	36.9
200.13718	1.4
201.11301	1.1
207.10262	23.6
208.10570	1.1
215.12866	0.9
225.11320	53.6
226.11700	1.9
243.12361	100.0
244.02782	1.0
244.12708	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	243.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31783	0.3
51.11988	0.3
52.03396	0.3
57.03447	0.8
59.01388	1.9
59.90322	0.3
60.94986	0.3
61.97376	0.3
71.01391	0.5
71.05016	2.4
72.99309	0.4
74.84783	0.3
74.94287	0.3
75.09414	0.4
81.03461	0.5
83.05046	1.4
91.23994	0.3
97.02943	3.7
97.06609	1.1
98.21857	0.8
99.00877	15.3
101.02495	0.4
105.36357	0.3
109.06586	4.4
110.03709	1.8
123.08170	0.5
125.09708	4.3
127.04049	0.3
135.08160	0.8
136.05296	0.8
142.02704	0.7
145.10292	0.4
155.14453	1.5
161.09726	0.7
163.11287	7.0
164.07150	0.7
171.10312	1.4
179.10806	0.4
181.12338	15.7
182.12630	0.5
189.09363	0.4
197.11823	0.9
199.13383	11.3
199.15247	0.6
207.10252	36.5
208.10564	1.3
225.11314	64.8
226.11711	2.5
243.12349	100.0
244.02791	1.1
244.12695	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	243.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84837	0.4
71.06559	0.5
85.00435	0.4
101.85751	0.4
116.12640	0.4
151.47240	0.5
167.14449	0.7
183.13895	7.5
193.12341	2.3
203.13989	0.4
211.13397	100.0
212.13765	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	243.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56228	0.4
56.79411	0.5
65.40229	0.4
70.77384	0.5
151.52737	0.4
155.10736	0.5
167.10736	0.6
167.14464	0.8
178.51625	0.4
183.13901	8.5
189.13994	0.5
193.12317	2.4
211.13399	100.0
212.13736	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	244.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96239	1.4
64.97025	8.1
69.59077	1.2
69.59453	1.9
72.00904	11.7
74.58320	0.7
79.95734	33.0
80.96517	18.3
90.17284	0.7
91.05530	1.4
95.97608	69.2
103.05543	2.7
118.06630	29.8
120.14269	1.0
129.94247	0.8
147.04518	46.0
148.04897	1.1
164.07161	100.0
165.07489	2.8
175.69791	0.7
182.02855	1.0
191.85176	0.8
198.02293	2.1
226.01686	3.6
244.02823	82.2
245.03012	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	244.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93346	0.9
63.02689	0.7
63.96254	1.3
64.97017	7.5
69.93656	0.9
69.93976	1.7
70.30320	0.7
72.00911	16.6
79.95738	32.9
80.96520	18.2
86.70899	0.7
88.04810	0.7
88.91262	0.7
95.97617	68.1
102.15832	0.7
103.05556	3.9
118.06635	27.8
137.97556	0.7
146.79645	0.8
147.04530	49.2
148.04918	0.8
164.07176	100.0
165.07518	2.3
168.64326	0.7
198.02296	2.3
226.01865	4.6
231.79897	0.8
244.02846	96.3
245.03130	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	247.1702
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
59.01380	19.1
64.16824	0.5
69.14324	3.8
71.01376	1.1
76.40494	0.6
83.05013	1.7
93.07093	0.9
95.70473	0.5
107.83691	0.7
109.06581	0.7
121.10232	0.9
135.11856	0.6
147.11780	0.8
149.13374	9.8
161.13364	0.7
162.83885	1.0
175.14931	2.7
177.09219	0.9
186.95662	0.7
201.16525	0.8
203.18053	28.6
204.18257	0.9
225.81714	0.6
229.16040	2.2
247.17029	100.0
247.20595	3.6
248.17291	4.6
261.59988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1703
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
53.74813	0.1
59.01370	0.2
69.37766	0.3
89.02441	0.2
106.97334	0.1
116.77192	0.1
118.71646	0.1
121.02975	0.2
162.83824	0.1
179.07182	0.1
183.30219	0.1
186.95567	0.2
204.15173	0.2
205.16023	0.3
213.72032	0.1
220.17047	2.2
231.13951	0.4
247.17012	100.0
248.17369	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	247.2066
Annotation	Sterol
Peak:m/z	Relative Intensity
57.03452	1.9
59.01367	0.7
69.03439	1.1
71.05005	1.0
71.11177	0.4
81.03475	0.3
83.05019	1.0
85.06576	0.8
93.03439	0.8
95.05032	0.6
97.06586	1.0
99.08179	0.3
108.05805	1.3
109.06586	0.5
111.08150	1.0
119.04996	0.6
121.10333	0.4
123.08137	0.5
125.09692	0.6
139.11314	0.8
141.12892	0.5
157.31047	0.4
162.83929	1.2
190.10118	0.4
191.14484	0.4
191.18091	1.3
193.16017	0.5
203.14406	0.6
229.19623	2.1
238.63889	0.4
245.19069	0.8
247.13568	5.1
247.17131	2.6
247.20665	100.0
248.20988	5.0
259.37900	0.3
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	Sch 601254
Peak:m/z	Relative Intensity
52.58531	0.5
56.91321	0.6
57.03434	1.5
59.01381	8.4
69.03455	36.0
69.27869	2.8
71.05038	0.6
79.74980	0.5
83.05022	2.7
93.03452	1.0
95.05036	4.5
97.06571	2.1
98.13199	0.5
98.22620	1.3
106.04240	1.7
107.08633	1.1
109.06584	1.0
111.08138	1.0
119.05026	1.1
121.06562	1.2
133.10254	1.0
134.07375	1.5
135.11815	0.8
149.09659	1.0
149.13390	4.1
151.11226	0.7
161.13390	2.0
167.10782	3.4
171.10271	1.2
175.11206	0.8
179.10757	1.5
187.14893	3.9
191.10834	0.7
193.12347	8.0
203.14453	1.0
205.01239	0.6
205.12325	10.6
205.15974	10.1
206.16243	0.7
210.76717	0.6
219.13950	0.7
221.15446	17.9
222.15601	0.6
231.13895	32.3
232.14206	1.5
249.14949	100.0
250.14682	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	249.1859
Annotation	roughanic acid
Peak:m/z	Relative Intensity
56.04937	0.4
59.01378	4.4
62.21227	0.3
71.01376	0.4
83.05008	0.6
114.80620	0.4
115.50278	0.3
122.73466	0.3
143.74113	0.3
161.02596	0.3
177.16492	0.4
205.15916	2.2
205.19603	1.5
231.17575	1.7
247.16982	0.9
249.15041	2.7
249.18591	100.0
250.14577	3.7
250.18910	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	251.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	9.0
57.03447	5.5
57.95970	0.7
58.60480	0.7
59.01378	100.0
69.03450	1.9
69.49078	0.8
69.57896	2.8
71.01381	97.2
72.01716	1.6
72.99303	2.1
73.02947	41.4
75.00864	2.4
81.03434	1.9
83.01391	16.6
85.02950	44.3
87.00876	4.1
87.04534	1.0
89.02444	25.6
89.06065	0.9
95.01395	6.7
97.02955	1.0
98.48690	0.9
99.00885	10.7
101.02442	98.0
102.02780	0.9
102.73907	0.9
103.03973	0.8
113.02448	38.2
113.03245	1.8
114.02757	1.1
119.03488	7.2
125.02444	2.3
129.01939	2.0
131.03549	1.0
135.04485	1.9
143.03468	3.3
159.02989	8.7
161.04556	46.5
162.04895	1.0
179.03394	1.5
179.05638	1.8
251.11356	27.8
251.14470	1.5
252.11665	0.8
252.41696	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1652
Annotation	Cheimonophyllon C
Peak:m/z	Relative Intensity
59.01370	3.8
60.32030	1.1
60.95942	1.1
62.22199	1.1
69.03458	2.9
69.58430	2.7
69.58823	2.6
81.03454	2.0
90.76399	1.0
102.49036	1.2
104.51628	1.1
109.03017	1.2
125.09736	2.4
137.09691	1.3
168.91513	2.2
179.03630	1.5
194.09459	1.6
195.13870	8.6
207.13905	4.1
207.17557	6.9
212.53070	1.1
223.17039	19.3
233.15436	12.5
251.16597	100.0
252.16925	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	251.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26835	0.7
57.03434	0.8
59.01368	1.4
68.78643	0.6
69.03442	0.9
69.31983	1.3
69.32391	2.1
91.17864	0.6
92.75517	0.6
97.06126	0.6
163.05948	0.6
174.43045	0.7
195.13889	6.1
207.13893	2.6
207.17564	5.6
223.17027	23.7
224.17401	1.3
233.15456	17.8
251.16554	100.0
252.16853	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	251.2016
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
59.01379	2.4
61.98829	0.6
71.01403	0.4
72.01781	0.5
76.88103	0.4
77.87818	0.4
79.50635	0.4
79.93626	0.4
91.01869	1.0
92.92801	0.9
94.35368	0.5
97.69189	0.4
116.97285	0.7
134.33061	0.5
135.00758	0.4
163.00285	0.4
168.91444	0.5
233.19095	1.6
234.87688	0.5
250.98500	0.6
251.14888	5.1
251.20151	100.0
252.20520	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	253.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79785	0.4
56.65040	0.4
57.03469	0.5
59.01379	100.0
60.01722	0.8
61.98829	53.5
67.14845	0.4
71.01383	8.3
71.43415	0.4
72.99274	0.5
73.02959	1.9
74.99089	0.8
78.95914	0.4
83.01413	0.7
85.02967	1.8
86.57265	0.4
87.00894	0.7
89.02451	7.5
91.04038	0.5
95.01423	0.6
96.96010	0.7
99.00829	0.8
101.02443	9.1
101.03076	0.6
101.56275	0.4
113.02448	3.0
115.00434	0.4
119.03477	2.1
126.85644	0.4
131.03508	0.8
133.01480	0.9
136.94025	2.9
142.99849	0.5
143.03520	1.0
161.04573	4.4
163.02512	0.5
178.95087	0.9
179.05611	1.2
192.92926	2.2
193.03690	1.6
193.07208	1.9
203.59782	0.5
253.03717	0.7
253.09270	13.0
253.21817	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0928
Annotation	Lilioside B
Peak:m/z	Relative Intensity
54.65250	0.5
55.01881	2.0
57.03433	1.3
59.01379	100.0
60.91476	0.6
61.98823	1.8
68.81474	0.5
70.37886	1.2
71.01381	26.4
72.99290	0.9
73.02950	4.3
74.99103	0.6
83.01382	3.8
85.02941	5.9
87.00881	2.6
89.02441	25.7
91.03915	0.6
92.65102	0.5
95.01388	2.1
95.74377	0.6
97.02975	0.7
98.21820	0.9
99.00910	0.9
101.02442	27.6
103.08603	0.7
113.02444	10.5
119.03506	6.5
131.03534	1.0
139.65660	0.7
143.03505	2.6
161.04572	10.5
179.05630	4.3
193.07187	1.8
205.74806	0.7
224.90800	0.6
253.09286	37.5
254.09731	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1443
Annotation	Russulanorol
Peak:m/z	Relative Intensity
50.37434	1.1
55.01865	1.7
57.03436	5.2
59.01372	19.7
67.01877	5.0
69.03448	9.8
71.01366	2.4
71.05016	6.8
73.02963	1.4
75.51505	1.4
80.02671	3.3
81.03452	65.4
82.73040	1.3
83.01378	1.3
83.05016	39.6
84.02149	5.4
86.11740	1.3
90.20402	1.2
91.81262	1.3
95.05040	13.4
96.02164	2.5
97.02946	13.5
97.06567	7.2
98.03730	3.8
99.04510	87.9
99.83359	1.3
102.52861	1.2
109.06585	5.3
110.03714	1.2
111.04517	16.1
113.06075	2.2
121.06624	1.7
123.04480	1.4
123.08177	2.2
125.09680	3.0
137.06100	1.8
137.09698	2.1
139.07599	1.8
153.09172	2.5
155.10751	3.7
163.11221	1.6
163.94487	1.4
165.12840	1.9
169.12335	1.6
171.10257	35.8
175.11298	1.8
185.76895	1.3
191.14413	15.3
193.12314	50.6
207.13853	7.2
209.11780	5.0
209.15427	3.8
211.13457	3.7
217.12312	2.5
225.14963	2.2
235.13361	100.0
236.13765	5.6
253.14429	79.6
254.14482	1.6
267.89011	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	253.1445
Annotation	Russulanorol
Peak:m/z	Relative Intensity
52.05172	0.7
57.03433	2.2
59.01378	12.1
65.03963	59.7
66.69006	0.8
69.03448	1.3
79.01270	0.8
80.02647	1.2
81.03455	5.6
83.05027	13.6
95.05021	1.5
97.06590	6.3
109.00155	0.8
110.03748	2.4
113.02427	1.1
121.02980	0.9
123.08129	3.5
125.09727	42.9
126.10108	1.0
132.03769	0.8
163.11293	4.6
165.12839	2.7
173.13301	1.5
207.13937	3.7
209.11826	81.7
210.12212	3.2
217.12375	2.5
235.13396	100.0
236.13765	4.4
253.05072	1.4
253.14470	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	253.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53997	1.6
55.01865	2.8
57.03440	4.2
59.01380	46.1
64.02666	1.4
67.01891	5.1
69.03453	7.7
71.01379	6.3
71.05013	6.4
80.02672	3.7
81.03457	83.1
83.01408	2.3
83.05029	57.5
84.02168	5.1
95.05039	7.5
96.02175	2.0
97.02946	11.2
97.06596	6.0
98.03732	3.4
99.04521	100.0
109.06604	7.9
111.04510	15.5
117.41874	2.1
121.02962	3.0
153.09259	4.4
154.46542	1.8
155.10754	3.9
164.47971	2.0
169.12355	1.9
171.10272	49.4
172.23686	1.9
175.11166	2.3
186.87820	1.7
191.10785	1.9
191.14420	12.6
193.12325	53.7
205.17598	1.7
207.13902	7.1
209.11815	4.3
209.15405	5.7
211.13474	4.6
217.12384	2.4
221.72372	2.0
225.14894	2.7
235.13397	80.8
236.13559	4.1
253.09172	3.9
253.14455	94.2
253.21802	2.9
254.14906	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	253.1444
Annotation	Russulanorol
Peak:m/z	Relative Intensity
51.18136	1.1
55.01874	1.7
57.03440	4.2
59.01105	2.3
59.01375	23.4
60.45241	1.2
67.01881	4.9
69.03463	7.5
70.98892	2.2
71.01375	2.5
71.05006	5.6
72.76876	1.2
74.74120	1.2
77.21643	1.1
80.02675	3.3
80.58540	1.2
81.03453	66.0
82.45703	1.3
83.01359	1.7
83.05025	45.0
84.02180	7.0
89.02468	1.4
95.05023	12.1
96.02184	2.4
97.02943	12.9
97.06599	8.4
97.16739	1.2
98.03716	4.2
99.04520	82.2
101.06073	5.7
105.59560	1.3
107.05006	2.1
109.06580	8.7
111.04528	16.3
111.08163	1.5
121.06618	1.5
123.04524	1.5
123.08140	2.8
125.06090	1.3
128.90196	1.2
135.08136	1.6
137.06085	1.4
137.09741	2.3
145.77953	1.4
151.07634	6.0
153.09210	4.0
155.10777	5.5
163.11372	1.7
165.12860	2.0
171.10269	35.5
171.20226	1.4
175.11263	1.7
178.33104	1.3
191.14424	12.4
193.07321	1.6
193.12334	48.2
193.14095	2.7
196.07364	4.0
197.15356	1.2
207.13887	7.9
209.11859	4.1
209.15453	7.7
211.13385	3.7
217.12343	2.8
225.14882	2.6
235.13394	100.0
236.13805	4.4
253.09145	2.8
253.14452	90.1
254.14760	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	253.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.7
59.01377	34.0
67.01875	3.2
69.03453	6.5
69.12171	9.6
71.01392	3.1
71.05016	4.4
80.02695	3.1
81.03452	57.0
83.04568	3.2
83.05026	39.8
84.02161	5.7
84.39251	1.7
89.02425	2.2
93.03437	1.8
95.01357	1.7
95.05024	10.8
97.02965	11.1
97.06596	6.0
98.03731	3.5
99.04518	69.7
99.08136	2.0
100.43889	1.8
101.02399	2.0
109.02938	1.5
109.06567	7.8
111.04507	12.0
111.87492	1.5
121.02956	2.6
123.08163	2.7
128.47554	1.6
133.53976	1.5
153.09224	5.0
155.10791	6.1
165.12857	1.7
171.10266	30.0
171.54831	1.5
175.11209	2.1
181.15974	1.8
189.83453	1.6
191.14407	13.3
193.12344	40.9
207.13889	6.8
209.11813	7.1
209.15457	22.7
211.13397	2.6
217.12315	4.4
221.11732	2.6
235.13387	100.0
236.13724	6.0
253.05038	2.2
253.14445	92.5
253.21542	2.5
254.14734	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	253.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.9
69.03445	1.3
70.45261	0.9
71.01354	0.6
71.05003	0.7
80.02670	0.9
81.03456	5.0
83.05031	6.4
84.02148	1.5
84.99902	0.4
95.05018	0.9
97.02934	1.1
97.06612	0.5
99.00841	0.6
99.04511	4.3
101.02470	0.5
109.06577	2.6
110.03742	5.0
111.04481	0.8
116.90734	0.5
121.06570	0.5
123.04510	1.2
123.08190	0.7
136.05286	0.9
137.06085	0.8
142.02725	1.9
153.12866	0.8
162.17497	0.4
163.11258	0.8
170.88399	0.8
171.10277	1.2
185.11797	0.6
189.12834	0.9
191.14386	4.6
193.07062	0.5
193.12392	2.4
207.13869	1.3
209.15450	28.9
210.15773	0.8
217.12352	0.7
225.14992	1.3
235.13377	100.0
236.13680	4.3
253.14435	58.1
254.14864	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	253.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.4
57.23348	1.5
59.01110	2.4
59.01382	33.7
67.01879	3.8
69.03443	8.1
69.33189	6.6
71.05011	6.2
80.02662	2.4
81.03455	64.5
81.89088	1.7
83.04521	2.0
83.05027	48.0
84.02152	5.8
95.05021	11.9
97.02962	12.7
97.06583	7.6
98.03725	4.8
99.04520	80.8
107.05035	2.4
109.06581	6.4
111.04513	13.6
113.06114	2.0
121.02944	2.3
122.03764	1.9
123.08142	2.9
125.09753	2.1
137.06058	2.8
153.09207	2.6
155.10753	5.5
163.11263	2.1
171.10281	33.2
175.11269	2.8
191.14418	15.7
193.12341	39.7
207.13878	6.8
209.11780	6.3
209.15453	19.2
210.03091	3.0
211.13336	2.8
217.12282	2.1
219.09325	1.8
225.14952	2.5
235.13380	100.0
236.13751	3.1
253.05020	10.1
253.14424	89.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1808
Annotation	(+)-Epoxypuliglene
Peak:m/z	Relative Intensity
59.01077	1.0
59.01376	18.1
61.98830	1.7
63.14919	1.0
65.51295	1.0
71.01352	2.0
71.42847	1.2
86.76215	1.1
89.02438	1.6
103.20732	1.1
116.48421	0.9
125.09719	1.3
148.98747	1.2
170.88388	2.6
171.10257	32.3
195.13861	5.1
209.15489	2.0
217.84982	2.6
235.17027	40.3
251.16841	1.2
253.04910	1.3
253.18080	100.0
254.18393	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	253.2173
Annotation	Hexadecenoic acid
Peak:m/z	Relative Intensity
62.17501	17.6
70.00879	47.1
70.58784	16.1
72.46493	18.6
78.48769	17.2
98.22329	43.6
110.04728	19.2
120.51521	17.5
124.02207	18.7
125.04137	18.5
153.52469	17.6
217.84923	28.8
253.21846	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.4
60.01711	0.5
61.16390	0.2
61.98827	100.0
66.90485	0.2
68.86280	0.2
70.54506	0.3
71.01379	0.9
72.99335	0.4
73.10735	0.3
78.95904	0.4
89.02464	0.6
91.22317	0.2
98.99404	0.3
99.00865	0.4
101.02460	0.5
102.02768	0.4
110.68359	0.2
111.00872	0.4
112.98785	0.3
113.02490	0.3
117.00458	0.8
126.97803	0.2
126.98874	0.4
129.09909	0.2
141.00481	1.1
142.99875	0.7
143.02034	0.9
152.91747	0.4
168.99948	1.0
170.33368	0.2
173.00883	0.4
196.99353	0.3
225.02376	0.2
251.19379	0.3
254.09735	0.7
254.99933	0.6
255.23376	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82898	5.7
59.01372	11.7
69.75769	18.7
82.51498	5.7
89.41013	4.8
94.62515	5.7
111.00900	10.3
111.01658	6.2
111.68296	6.8
111.78090	5.8
160.55344	5.3
172.57764	5.8
198.12256	5.8
211.13391	62.8
236.10493	16.1
254.11633	100.0
254.14487	11.4
255.02982	16.0
255.23233	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	255.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.3
59.01354	0.4
70.76543	0.3
80.02684	2.1
81.03430	0.4
83.05045	0.5
84.02169	2.0
94.12348	0.2
95.05035	0.3
101.19522	0.2
106.75042	0.2
109.06586	0.8
123.08148	0.3
130.12471	0.2
152.91756	0.3
153.12851	0.3
191.14420	0.7
193.15952	2.1
194.92831	0.6
205.44456	0.2
209.15514	1.3
219.13919	1.7
226.50053	0.2
237.14952	100.0
238.15292	3.8
255.03056	1.9
255.16008	9.0
255.23280	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	255.233
Annotation	2-Hexyldecanoic acid
Peak:m/z	Relative Intensity
50.01669	0.3
53.89865	0.3
61.32910	0.3
62.29926	0.3
69.79204	1.0
72.99331	0.4
80.61436	0.3
95.01376	0.5
101.16698	0.3
123.04484	0.3
219.84535	2.5
229.18369	0.3
255.02975	1.0
255.06714	0.6
255.23286	100.0
256.23645	4.5
265.48245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10426	0.6
50.65466	0.7
51.17237	0.6
52.92409	0.7
55.03405	0.6
57.03437	0.9
66.08944	0.6
80.02673	1.3
81.03487	1.2
83.01417	1.0
83.05033	6.5
84.02161	3.4
84.30856	0.7
93.03460	0.9
135.04529	1.6
147.90221	0.7
163.11295	5.2
165.12852	3.3
173.04564	2.1
179.03516	1.2
183.10315	1.3
191.10780	1.5
209.11824	100.0
210.12207	4.8
227.12849	10.3
258.89999	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0072
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
51.87836	0.6
59.01368	4.0
69.03442	2.0
70.63005	0.8
71.01344	0.8
72.99303	9.8
73.02557	1.2
73.02945	17.3
74.02493	0.9
75.00863	4.5
75.14388	0.6
79.95730	7.4
80.96519	1.7
81.03451	2.1
87.04544	0.8
87.41932	0.7
93.03451	21.1
95.05013	1.4
95.19160	0.7
96.96000	2.4
97.02940	9.0
98.22498	0.8
101.02464	0.9
103.01494	1.1
103.91993	0.7
107.05049	1.5
109.06601	1.2
119.05022	41.8
123.04546	1.6
133.06622	1.3
134.03770	1.4
135.04521	26.1
136.04869	0.7
137.06078	1.8
141.05545	1.4
163.04010	33.5
164.04430	0.8
181.05063	81.6
182.05400	2.1
199.00711	14.7
215.00174	6.8
228.08887	0.8
259.34784	0.7
261.00723	100.0
261.13385	10.6
262.00961	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	261.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34266	5.8
57.54186	4.6
59.01372	31.1
59.01844	4.9
76.64059	4.7
98.77387	4.5
103.01507	7.3
109.06586	19.2
135.04532	89.6
163.11246	9.1
179.03485	64.3
181.06923	5.9
183.13876	7.8
207.10289	39.3
211.13373	100.0
225.11296	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.113
Annotation	Lagopodin B
Peak:m/z	Relative Intensity
59.01375	4.2
61.98818	0.6
65.85579	0.5
69.88108	0.8
69.88438	0.9
93.03429	0.7
95.07456	0.5
98.21951	0.7
100.03072	0.5
103.01502	1.7
107.04994	1.2
109.06581	1.2
118.94213	0.9
130.41504	0.5
133.02016	1.0
133.02954	12.9
134.03748	8.4
135.04524	85.2
136.04851	2.0
137.02469	2.3
139.04015	0.9
148.05276	1.1
149.09615	0.6
150.21642	0.5
161.02443	25.1
162.02850	0.8
163.11334	0.9
174.99403	0.6
178.02647	1.2
179.03491	46.8
179.76894	0.5
180.03877	1.1
187.09808	0.6
217.15991	1.3
223.83922	0.6
255.97108	0.5
259.52658	0.5
260.87360	1.0
261.11304	100.0
261.14722	5.0
262.11728	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	261.1132
Annotation	Lagopodin B
Peak:m/z	Relative Intensity
51.86326	0.9
59.01377	8.4
59.62662	0.8
61.98816	1.5
66.05023	0.8
69.49085	3.5
76.87617	1.0
82.78257	0.9
93.03466	1.2
93.17645	0.8
103.01499	2.5
106.04249	1.6
111.00882	1.3
118.94172	1.8
119.08675	0.9
121.02966	4.3
133.02959	23.2
134.03741	64.2
135.04562	8.3
137.02438	31.9
139.04012	11.4
149.02362	1.6
150.03227	3.4
160.08946	1.1
161.02437	2.4
165.01860	1.1
174.06885	2.1
178.02718	21.6
178.95123	1.2
179.03497	13.5
211.13602	0.9
217.00197	1.1
217.12331	2.5
217.15991	1.2
217.19569	1.0
223.83923	1.9
235.17029	2.9
245.52594	0.8
260.87332	2.0
261.11304	100.0
261.14655	3.1
261.18591	6.3
262.11746	4.2
262.19034	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0925
Annotation	Xestodecalactone A
Peak:m/z	Relative Intensity
50.74151	0.5
59.01373	1.3
75.61308	0.6
83.05048	1.0
90.21365	0.5
91.35281	0.6
92.14655	0.8
93.03453	2.7
106.04217	3.3
111.00863	1.0
121.02938	5.8
133.02960	26.6
134.03745	100.0
135.04547	20.2
136.04865	0.6
137.02448	35.4
138.02736	0.8
139.04012	13.1
148.01723	0.6
149.02440	1.1
150.03204	3.7
161.02455	2.7
163.80896	0.5
165.01886	1.0
178.02715	33.0
179.03493	31.9
179.05087	1.1
179.71173	0.6
189.09171	1.0
209.11832	18.1
210.12247	0.7
219.10255	1.8
222.98183	0.6
227.12878	6.6
243.33382	0.7
263.09241	92.0
263.16623	1.8
264.09564	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1135
Annotation	Ilicifolinoside A
Peak:m/z	Relative Intensity
52.58134	0.6
55.01881	7.4
57.03448	6.4
58.00584	1.2
59.01379	47.0
68.74197	0.6
69.03451	1.3
70.02115	1.5
71.01379	100.0
71.05020	24.6
72.01726	0.9
72.99297	2.8
73.02943	33.8
73.06583	4.8
75.00877	2.7
78.95903	0.9
81.03455	1.2
83.01388	13.9
83.05027	13.2
84.02150	1.4
85.02949	46.7
87.00893	3.1
88.17761	0.6
89.02437	10.5
95.01385	8.2
97.02946	2.3
98.21928	0.6
99.00878	11.0
99.04534	1.2
101.02446	56.3
101.06078	48.3
102.02811	1.1
105.82689	0.7
111.00903	0.6
113.02450	36.0
119.03496	3.3
119.12582	0.6
121.02970	1.5
125.02462	2.1
129.01968	1.6
131.03564	0.8
143.03525	2.1
159.02980	7.2
161.04558	24.4
180.94762	0.8
195.12177	0.7
202.98775	1.5
204.11739	0.7
212.43120	0.6
263.08569	0.6
263.11346	4.1
263.16553	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1287
Annotation	Mansonone Q
Peak:m/z	Relative Intensity
57.03444	0.4
59.01369	0.9
61.22458	0.4
61.98825	0.4
66.19768	0.3
70.33670	0.3
70.35300	0.6
70.35610	0.6
77.11785	0.3
95.05026	0.7
97.06590	1.6
121.02974	1.1
121.10196	1.0
133.02957	15.5
134.03745	14.7
134.04506	0.3
134.89400	0.4
135.04527	21.5
136.04839	0.6
137.02443	5.2
139.04021	1.3
139.17288	0.3
140.98393	0.3
149.02505	0.4
149.09799	0.4
157.08710	0.4
161.02443	27.8
162.02774	0.7
163.03967	0.4
165.12836	0.4
178.02684	1.9
179.03484	10.6
219.17537	1.0
233.25375	0.4
263.12881	100.0
263.16373	8.4
263.20166	3.1
264.13211	5.1
264.15970	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1651
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
56.76097	0.3
59.01376	23.5
70.66286	0.3
70.66702	0.5
80.02670	1.0
95.05048	0.4
97.06570	0.5
109.06632	0.3
113.06052	0.5
119.05023	0.6
120.05798	0.5
135.08124	0.5
137.01126	0.3
147.08162	1.0
148.08939	4.0
149.09692	1.2
151.11261	1.9
161.09821	0.4
163.11266	5.9
165.12836	32.8
166.13176	1.2
177.12854	0.4
185.24803	0.4
189.12782	2.5
191.12665	0.7
191.14413	13.1
192.14659	0.4
201.16466	0.3
217.15820	0.5
219.17508	11.9
220.17928	0.4
227.14386	0.7
245.15440	4.9
248.93094	0.3
258.62488	0.3
263.16501	100.0
264.16840	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95166	0.7
55.01863	1.4
59.01375	8.3
71.05022	62.2
83.05023	2.1
93.07100	0.8
97.06586	20.8
109.06641	0.8
111.08131	1.0
119.71128	0.7
123.08157	4.9
127.07584	0.6
135.11798	4.0
145.86327	0.8
147.08150	1.2
147.11800	2.3
149.09677	0.8
165.12848	2.6
167.12337	0.7
173.09726	0.9
179.10796	2.2
191.10741	7.8
207.13971	2.0
219.17560	11.1
245.15471	1.8
263.16528	100.0
263.19992	6.6
264.16898	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	263.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.8
58.91531	0.7
59.01381	7.0
67.01869	0.9
67.92098	0.6
69.03462	1.0
69.69360	0.9
69.69701	2.6
71.01344	0.8
71.63998	0.7
75.84071	0.7
80.02676	0.8
82.67650	0.7
83.05020	3.0
93.03458	1.4
95.05020	3.9
95.29585	0.7
97.06567	1.2
107.08682	1.2
107.73060	0.7
111.08161	33.8
112.08508	0.9
121.81194	0.7
123.08113	1.7
125.09717	0.9
137.09726	7.3
149.09721	8.6
151.11183	1.1
161.09665	1.1
165.12784	1.3
167.10793	4.6
201.16609	1.3
219.17540	20.1
245.15498	3.0
263.16516	100.0
263.19977	6.0
264.16867	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	263.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.3
59.01381	3.4
59.09630	0.4
69.03448	0.7
70.52522	0.5
70.52866	0.8
76.88840	0.5
78.65371	0.5
83.05042	1.0
85.44086	0.5
90.73266	0.5
93.07088	0.8
95.05029	4.0
95.88528	0.5
97.06587	13.6
99.08170	0.5
111.08160	2.0
113.09721	1.2
121.09457	0.8
121.10242	8.5
137.09694	0.8
139.07628	1.4
147.08171	3.1
157.08708	5.9
160.08949	2.2
162.10481	2.1
165.12877	1.8
169.08669	1.3
181.08763	0.9
183.10315	0.8
201.16545	1.3
205.15944	2.2
217.16081	0.7
219.17523	7.3
235.17012	2.6
245.15416	3.3
263.16528	100.0
264.16937	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	263.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43038	0.4
56.28868	0.4
57.03450	2.5
58.45155	0.3
59.01382	5.6
60.85023	0.4
69.03458	0.8
70.69089	0.4
71.01380	0.4
78.18935	0.4
82.44459	0.3
83.05021	1.6
92.60682	0.4
93.07114	1.0
94.12645	0.4
95.05025	7.1
97.06593	23.9
99.04497	0.5
105.32730	0.5
105.68537	0.5
111.08151	0.8
113.09743	2.7
119.08653	0.7
121.10237	18.5
125.09719	0.4
133.57486	0.4
135.08159	0.6
137.97574	0.4
139.07651	2.5
141.05577	0.8
147.08159	5.8
149.09702	0.5
151.88754	0.4
157.08704	9.1
165.09138	0.4
165.12834	3.6
169.08653	3.1
175.94969	0.4
181.08693	1.8
183.10278	1.5
191.14330	0.5
195.10297	0.9
201.16518	2.5
219.17537	4.7
245.15471	2.5
263.16519	100.0
263.19763	3.4
264.16846	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	263.2016
Annotation	KDC 165
Peak:m/z	Relative Intensity
57.84982	0.4
59.01370	1.6
61.42084	0.4
69.99773	1.1
71.01376	0.7
77.60116	0.4
85.43872	0.4
98.22583	0.5
121.02992	0.4
127.07696	0.5
134.89461	1.3
136.89159	0.6
143.17944	0.4
165.01817	0.4
190.99820	0.4
219.17499	0.8
219.21120	0.8
233.15262	0.4
240.62416	0.5
245.19273	0.5
249.23344	0.4
263.20157	100.0
264.16226	0.5
264.20535	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	265.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56809	0.6
60.63422	0.6
67.01897	1.1
68.99828	4.3
69.03455	34.6
71.01381	2.3
71.04994	0.7
71.45041	0.8
72.99317	8.2
74.15202	0.6
74.96810	0.6
77.03962	1.0
81.03434	1.5
93.03450	2.2
95.05023	2.0
97.02946	15.2
105.03513	0.8
107.05031	1.8
108.02169	8.3
109.02957	3.1
111.92453	0.7
115.03995	2.4
119.05073	0.7
121.02132	1.4
121.02945	16.0
121.06583	1.6
123.03607	1.2
123.04524	24.1
133.06598	0.9
134.03693	3.5
135.73421	0.6
137.46501	0.6
141.38542	0.6
143.05042	1.0
147.04494	1.9
147.08162	2.0
149.02440	14.3
151.04004	100.0
152.04326	2.3
158.03751	1.9
171.04539	1.5
173.04565	1.4
173.06076	27.9
174.06468	1.3
175.07608	1.6
185.06114	1.2
191.07092	1.2
203.07057	3.2
221.08206	5.0
265.07224	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.2
59.01371	6.8
65.03956	9.8
68.67203	1.9
69.03436	2.1
71.01380	6.5
71.87978	1.9
80.02674	2.7
81.03456	25.1
83.05027	26.9
85.02911	2.3
93.03451	28.3
95.05017	14.6
97.45442	2.2
98.22514	2.7
108.02171	4.0
109.02921	6.2
109.06631	3.9
110.03729	11.0
111.04517	69.7
121.02969	3.3
123.04494	5.4
125.09732	3.5
139.11276	7.8
155.10715	2.4
171.10265	9.1
177.12799	6.5
184.01054	3.3
193.15907	11.1
203.10896	2.3
203.14265	3.8
211.13435	4.1
219.13922	9.8
221.11815	18.3
221.15382	2.8
223.13297	4.0
233.11618	5.5
237.14967	58.4
247.13382	27.2
265.12424	4.4
265.14462	100.0
266.14615	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	265.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79057	1.5
57.03448	1.6
59.01361	5.1
65.03970	7.3
69.03463	3.1
69.52094	4.6
71.01375	4.7
81.03455	20.0
83.05022	19.2
93.03455	12.3
95.05027	14.0
97.06590	2.1
98.22550	2.0
100.70625	1.5
101.02384	1.4
108.02157	1.8
109.02940	5.5
109.06552	3.0
110.03728	5.6
111.04518	44.2
114.85709	1.4
121.02982	3.4
123.04525	3.6
123.08125	1.9
125.09695	4.4
135.04530	1.7
137.09712	1.7
139.11296	8.7
142.65446	1.6
149.09692	1.4
162.78575	1.4
171.10297	4.9
177.12869	4.5
183.10269	2.3
184.01030	2.0
185.11798	3.4
193.15933	9.3
203.14389	3.3
211.13374	4.6
219.13959	4.9
221.11833	18.7
221.15433	2.1
223.13554	2.0
237.14937	57.6
238.15158	1.8
247.13383	18.9
265.14444	100.0
266.14764	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	265.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	13.9
58.85573	0.6
59.01376	4.1
69.03407	0.8
71.46170	0.8
79.05598	0.6
81.03445	2.2
83.05002	1.7
93.03409	0.9
95.05025	50.4
95.28160	0.6
96.05347	0.6
97.02939	1.1
97.06594	5.1
109.05973	0.8
109.06594	7.9
121.03075	0.8
121.06596	1.1
123.08117	2.0
125.09731	20.8
125.66693	0.6
135.08099	0.9
149.09671	1.5
163.11258	7.0
172.83978	0.6
179.14410	8.6
183.10341	0.8
184.00980	1.1
185.11784	5.7
203.14360	3.2
205.12265	1.3
207.10257	9.3
221.15465	1.2
223.13390	100.0
224.13731	3.2
247.13315	7.0
265.14456	62.0
266.14780	2.7
277.39185	0.6
279.94531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47321	0.3
56.49051	0.3
59.01377	0.6
65.00325	0.4
67.51207	0.3
72.99303	0.5
79.95724	2.3
81.31630	0.3
93.03475	0.3
95.95216	0.6
96.96008	100.0
132.13547	0.3
149.02396	0.4
177.01918	0.5
177.12924	0.6
221.00995	0.4
247.13486	0.9
264.81931	0.3
265.14771	79.0
266.15097	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	265.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30804	0.2
77.63938	0.2
79.95722	2.1
95.95251	0.6
96.96008	100.0
123.04586	0.2
132.32173	0.3
144.49287	0.2
161.60155	0.3
252.39322	0.2
265.14767	73.1
266.15045	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	265.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86818	0.9
73.66708	0.3
79.95728	1.9
80.49514	0.3
93.14268	0.3
95.95247	0.5
96.96010	100.0
98.22016	0.7
128.87318	0.3
133.02965	0.5
148.85127	0.3
164.89569	0.4
190.68034	0.3
221.00974	0.4
252.64363	0.3
265.14767	96.7
266.15115	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	265.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
67.30655	0.6
71.21304	0.6
79.95741	1.3
95.95280	0.6
96.96008	92.4
97.70069	0.6
98.08686	0.5
179.20845	0.6
265.14771	100.0
266.15115	3.9
280.78180	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.6
59.01383	2.4
63.64193	0.5
69.03445	0.6
69.84776	1.5
71.01387	0.7
85.02943	1.9
85.06606	0.6
95.05019	5.1
96.96008	7.4
97.06593	21.8
98.06876	0.8
111.08186	0.8
113.09714	3.2
121.10208	0.7
139.07680	0.9
149.09735	7.7
151.11279	0.6
157.08705	5.1
167.10794	0.8
167.14445	0.7
169.08658	1.2
203.18018	1.3
219.13991	0.5
221.19069	2.1
225.11395	0.5
239.12917	0.6
247.13284	0.8
247.17043	3.8
265.14832	8.3
265.18066	100.0
265.21524	6.8
266.15198	0.7
266.18381	5.5
276.16855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1808
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
57.03439	1.9
59.01376	7.3
69.03463	1.2
69.56513	2.0
69.56902	1.1
71.01357	1.0
71.05024	0.9
81.03456	1.1
83.05024	1.2
96.96008	1.2
98.22663	0.9
105.40268	0.8
121.06635	0.9
123.08184	3.8
125.06103	1.4
125.09714	3.8
139.11293	3.8
141.09235	1.8
145.09779	0.7
149.13347	1.9
169.08705	29.9
170.09135	1.0
174.06665	0.7
181.10753	1.3
181.12346	20.6
184.01038	2.3
185.11906	1.1
203.18063	5.5
221.19153	3.1
247.13351	0.8
247.14093	0.7
247.17018	25.1
265.12128	2.8
265.18085	100.0
266.18451	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	265.1807
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
50.66093	0.9
57.03448	1.0
59.01378	16.8
71.01377	1.5
71.05016	7.5
75.01943	0.8
75.76606	0.8
77.81686	0.7
83.05025	3.0
95.04999	1.2
96.96017	1.4
113.65634	0.8
147.41029	0.8
149.13361	2.8
163.07629	1.0
163.14914	3.5
169.08696	1.0
181.12291	1.4
184.01038	1.2
185.06200	0.9
189.05856	0.9
189.12836	2.0
193.12204	1.1
203.18066	11.0
205.12334	1.1
207.13896	74.7
208.14253	3.5
247.17014	63.4
248.17386	3.6
265.18076	100.0
266.18390	4.3
276.76678	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1807
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
58.60475	1.3
59.01385	10.2
66.04462	1.2
69.03462	1.8
69.33146	5.0
88.18543	1.5
91.26882	1.4
95.04983	2.0
97.04139	1.3
97.06597	8.0
98.21790	1.4
101.53560	1.2
121.10229	27.2
122.10607	1.9
125.06055	3.1
143.07135	41.7
149.09712	3.2
149.13336	2.4
151.11293	2.3
157.08679	3.0
167.10771	31.8
177.09138	2.4
195.10291	6.1
203.18056	10.0
228.10208	1.4
247.17023	45.5
248.17433	2.4
265.18076	100.0
266.18372	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	265.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.8
70.96984	1.7
71.01382	2.7
71.05017	13.6
83.05036	3.8
84.29968	1.2
96.96001	3.9
101.96185	1.2
121.10246	1.5
122.97311	1.6
140.67194	1.3
149.13361	3.1
163.14911	3.1
181.12350	2.3
184.01051	3.1
189.12839	1.7
195.13931	4.6
203.18056	9.6
207.13896	46.1
208.14249	2.4
247.17020	34.9
259.59366	1.4
265.12305	3.4
265.14868	4.4
265.18079	100.0
266.18405	5.5
279.15161	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	265.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	9.5
59.01383	6.9
69.03459	0.7
69.30130	2.0
71.01370	0.9
81.03462	0.8
83.05028	1.2
85.06587	0.7
95.05019	0.5
96.96001	1.4
97.06594	4.3
107.08710	0.5
111.08162	1.0
113.09727	45.1
114.10062	0.8
121.06609	0.6
121.10223	1.4
125.06117	0.9
125.09686	1.4
127.07639	0.6
127.11259	0.8
139.11288	13.5
140.11594	0.5
143.07130	3.8
149.09715	3.0
153.12912	0.5
155.07101	1.5
157.08693	0.7
163.11301	1.9
165.12869	1.1
167.10773	2.2
191.14462	0.5
203.18077	0.7
221.16905	0.6
221.19081	11.7
247.17036	4.9
265.18082	100.0
265.21414	4.3
266.18439	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.6
62.23909	1.1
67.30821	1.2
71.01369	2.8
71.45683	1.4
76.65323	0.9
95.05009	4.3
96.96013	3.2
97.06585	21.1
101.32823	1.0
113.09739	1.9
139.07663	2.5
149.09720	7.6
157.08698	5.5
164.72940	1.0
167.10745	1.9
167.14381	1.1
169.08691	2.2
184.00975	4.4
221.19101	3.7
247.17139	4.0
265.12253	3.2
265.14966	4.1
265.18085	100.0
265.21542	6.7
266.18457	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	265.2173
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
55.34784	0.8
59.01377	1.3
60.06646	0.8
60.96121	0.7
61.98822	1.7
69.37309	0.9
69.37596	4.1
69.50510	0.7
79.95694	0.9
84.99336	0.8
96.96012	33.7
134.89413	0.9
162.83890	2.4
202.78444	0.9
265.14786	32.8
265.21719	100.0
266.15012	1.3
266.22107	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	266.0893
Annotation	Adenosine
Peak:m/z	Relative Intensity
59.01376	0.5
61.98779	0.1
65.01430	0.1
71.01386	0.4
77.11913	0.1
87.00860	0.1
88.35688	0.1
92.02543	1.4
94.01941	0.1
101.02434	0.2
105.01944	0.5
107.02535	0.2
107.03639	5.1
134.04729	100.0
134.65633	0.1
135.05164	1.4
161.02454	0.2
178.08716	0.2
184.00969	0.9
222.11388	0.1
264.61902	0.1
266.08902	6.7
267.09354	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1034
Annotation	2-Hydroxyethyl gardenamide A
Peak:m/z	Relative Intensity
59.01376	3.6
63.38361	1.4
69.21739	3.0
69.22112	3.5
71.01366	2.1
75.00862	1.8
82.02986	1.7
87.00853	1.5
93.03480	1.6
95.33623	1.4
97.02960	2.7
101.02464	1.5
102.94730	1.3
104.05041	1.6
105.01936	18.9
105.03472	4.1
107.05049	6.0
108.50035	1.3
115.36541	1.6
118.06613	2.6
120.04547	2.7
122.03792	2.6
122.06168	1.4
124.07677	3.7
127.05164	1.7
130.06662	2.5
133.02992	2.1
133.78383	1.4
134.04738	1.4
135.04549	4.0
137.02451	4.8
137.04950	3.9
137.06084	100.0
138.06488	3.1
144.08145	2.8
146.06099	9.6
146.09770	3.4
150.05643	3.6
152.07178	46.8
157.49588	1.3
161.02460	9.8
163.06381	1.3
168.86136	1.2
172.07722	10.2
177.95045	1.4
178.08733	51.8
178.10284	2.7
179.03629	1.9
179.09152	1.5
180.06630	2.2
184.01057	2.1
190.08755	4.6
191.05673	2.2
204.10332	8.5
222.05673	2.5
222.07718	24.0
266.07431	2.8
266.10333	26.5
267.10938	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	267.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16988	0.3
59.01381	1.8
69.30500	0.2
72.99316	1.8
75.00867	4.0
75.27055	0.3
75.96738	0.3
93.03500	0.3
96.95961	0.3
98.22660	0.6
105.01930	100.0
106.02276	1.0
117.39444	0.3
133.02950	5.7
133.03880	0.5
134.03735	0.5
135.04521	8.7
137.10062	0.3
161.02438	35.9
162.02768	1.2
162.04121	0.3
176.26485	0.2
179.03520	3.5
179.07071	0.4
180.03722	0.3
191.03722	0.3
267.04846	3.2
271.49905	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72775	0.2
58.70555	0.3
59.01379	2.3
62.34500	0.3
64.20387	0.3
69.43991	0.9
71.01416	0.3
72.99306	2.6
73.12183	0.3
75.00873	4.7
79.95755	0.7
102.94723	1.1
104.33774	0.3
105.01935	100.0
106.02292	1.0
110.02628	0.3
133.02962	7.0
134.03662	0.4
135.04547	3.7
135.96822	0.4
161.02446	36.2
162.02766	0.9
168.64795	0.3
176.65125	0.4
179.03503	2.4
267.01413	2.1
267.04626	1.6
267.09128	0.4
273.81293	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0723
Annotation	2-O-(alpha-D-Glucopyranosyl)-D-glycerate
Peak:m/z	Relative Intensity
50.81522	0.3
55.01888	0.8
57.03443	2.9
58.00586	0.7
59.01379	56.6
60.01701	0.3
68.99831	0.3
69.03483	0.4
71.01381	34.2
72.01716	0.6
72.99307	2.6
73.02945	1.5
75.00868	8.2
78.95914	1.1
80.70623	0.2
80.96545	0.3
83.01385	1.6
83.99660	0.2
84.02175	0.5
85.02950	21.0
86.03268	0.3
87.00874	26.0
87.73190	0.3
89.02444	22.9
91.04024	0.6
95.01387	4.2
99.00887	5.1
101.02444	10.9
103.00372	1.8
105.01931	2.2
111.00879	0.4
112.01677	0.7
113.02451	29.1
115.00394	1.4
117.01931	1.6
119.03497	7.5
119.04307	0.5
120.95485	0.4
129.01976	1.2
131.03497	1.1
143.03502	0.8
149.04562	0.8
157.01407	0.3
161.04556	0.4
162.96536	0.6
175.02501	1.1
178.96007	0.4
179.05566	0.8
185.88895	0.2
191.05634	1.4
192.97585	0.2
201.86421	0.2
205.07101	0.5
206.95532	0.6
207.05119	1.0
217.65422	0.2
219.86037	0.2
248.98448	0.5
249.06131	2.5
267.07205	100.0
268.07535	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	267.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88986	0.7
55.01871	4.6
57.03439	3.0
58.00574	0.7
59.01377	100.0
60.01715	0.7
64.39462	0.6
70.01270	1.3
70.01601	0.8
71.01379	56.3
72.83242	0.7
72.99304	1.2
73.02942	17.7
79.11048	0.6
83.01388	6.6
85.02947	22.6
87.00879	2.7
87.04529	0.7
89.02439	28.9
90.02766	0.8
95.01390	4.3
97.02960	1.1
98.21850	0.6
99.00871	3.8
101.02438	52.4
102.02807	0.8
103.12895	0.6
105.01977	0.6
105.05589	9.8
113.02444	25.4
114.17287	0.6
119.03502	11.5
129.01900	0.7
131.03426	1.1
131.75461	0.8
135.87543	0.7
143.03473	4.6
149.04613	0.9
152.88795	0.7
154.33534	0.7
159.02995	5.0
161.04550	31.5
165.07739	0.8
179.05583	2.2
179.09032	0.6
207.08717	1.4
267.10843	38.7
268.11069	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.6
59.01379	2.9
69.03431	0.6
70.06513	0.8
71.01395	0.5
83.05021	0.7
95.05030	1.6
96.87868	0.5
97.06590	10.2
99.08155	1.4
102.27774	0.4
113.09724	7.5
121.02927	0.5
125.06083	1.2
143.07141	31.2
144.07573	0.6
151.11261	2.0
151.42676	0.4
155.07161	0.6
157.08727	0.6
205.19656	0.8
223.20615	1.1
231.17543	0.7
244.20474	0.4
249.18591	31.4
250.18979	2.4
267.19638	100.0
268.20038	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	267.1965
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
51.61221	0.3
57.03468	0.3
59.01376	9.8
61.14755	0.3
69.24736	1.9
69.39587	0.3
71.01373	0.7
83.05028	0.9
97.06628	0.4
99.08159	1.1
103.60909	0.3
113.09717	1.8
121.53918	0.3
149.09744	3.1
154.67450	0.3
167.10767	41.0
168.11095	1.6
177.16454	0.5
186.26978	0.3
205.19574	1.1
223.20610	0.6
231.17548	1.1
234.63480	0.3
237.48991	0.3
249.18594	27.8
250.18964	1.3
267.19641	100.0
268.20010	5.2
287.64917	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1965
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
55.01864	2.2
57.03435	0.9
59.01378	3.8
61.98792	0.7
68.99799	1.1
69.03456	6.6
69.25045	3.4
71.04651	0.8
71.05018	15.8
80.02660	0.9
81.03441	1.9
82.87518	0.6
83.05005	1.8
85.00420	0.7
92.92805	3.0
96.96033	1.1
97.06586	1.3
98.95605	1.0
103.01475	3.2
116.92858	1.2
116.97249	0.7
121.02967	1.4
146.43057	0.7
158.93921	1.0
174.36650	0.7
185.01750	0.6
193.15826	0.7
195.17567	2.7
209.04630	1.3
221.19023	3.8
223.20663	100.0
224.20984	4.1
244.69624	0.6
264.58658	0.7
267.19641	77.2
267.84610	0.6
268.19962	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	268.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11598	0.1
63.02395	5.3
64.02712	0.2
65.00320	2.4
66.92625	0.1
83.01379	3.3
85.23416	0.1
93.03485	0.1
94.00571	0.2
95.37750	0.1
98.22684	0.3
107.01388	6.0
116.02704	0.2
117.03457	2.0
122.00064	0.2
123.00895	0.3
130.04250	0.2
132.02205	0.2
135.00871	0.2
143.05113	0.1
145.30994	0.1
147.00920	0.2
148.01646	0.7
149.02429	0.2
149.99559	1.2
151.00372	5.3
155.05054	0.2
156.05817	0.4
158.03725	0.7
159.04556	0.2
167.05035	0.8
168.05763	0.5
169.01414	0.5
170.03636	0.2
171.04510	1.7
172.05281	1.2
183.04506	0.9
184.05293	0.6
195.04504	1.4
196.05313	0.9
197.06210	0.2
198.03166	0.3
199.03973	0.6
200.04805	1.0
201.05455	0.2
211.04005	5.9
211.06020	0.3
212.04755	1.3
223.04022	0.3
224.04745	0.3
225.05511	0.2
227.03502	0.4
228.46132	0.1
229.02708	0.1
239.03481	6.1
239.05917	0.3
240.04271	6.5
241.04561	0.4
267.02960	3.6
267.05609	0.3
268.03754	100.0
269.04318	9.7
277.13754	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	269.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98540	0.5
65.45457	0.4
69.86192	1.2
69.86552	0.9
72.99300	1.4
75.00874	70.9
78.51790	0.5
89.36107	0.4
98.22636	0.6
100.56044	0.6
104.75988	0.5
107.01388	0.6
108.02177	20.6
123.04521	8.0
151.00340	0.6
152.01163	47.1
153.01466	1.1
166.02750	1.1
167.03519	10.8
196.00125	5.2
209.00925	1.4
211.02486	100.0
212.02864	2.8
219.13028	0.5
254.00894	0.7
269.03024	49.9
270.03369	1.4
291.44968	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
61.05498	0.1
63.02393	1.6
65.00322	3.3
66.52052	0.1
78.71770	0.1
79.01885	0.1
81.03469	0.2
81.28014	0.1
83.01382	1.8
83.84725	0.1
93.03458	0.3
105.03458	0.9
107.01384	6.6
108.01727	0.1
117.03461	23.6
118.03799	0.7
121.02953	1.8
129.46382	0.1
131.05067	0.1
135.04514	0.1
139.03944	0.1
141.03497	0.2
148.01601	0.1
149.02441	9.2
150.02795	0.2
151.00363	11.4
152.00748	0.3
152.94687	0.1
156.05811	0.1
157.06570	0.3
159.04518	2.2
161.02444	0.1
169.01353	0.1
169.06621	0.4
171.04596	0.2
173.06012	0.1
180.05803	0.7
181.06590	1.6
182.03725	0.2
183.04492	1.5
185.02425	0.4
194.21442	0.1
195.04517	0.1
196.05278	0.2
197.06110	0.8
199.03998	0.2
201.03783	0.2
201.05559	2.0
209.02480	0.1
213.05681	0.2
224.04732	0.4
225.03342	0.2
225.05557	4.3
226.05902	0.3
227.03476	1.8
228.03851	0.1
241.05029	0.4
268.03619	0.1
269.04529	100.0
270.04871	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0611
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
53.67075	0.5
56.74799	0.5
63.02066	0.3
63.02395	11.5
65.00324	18.6
66.00691	0.5
67.01886	2.3
68.99817	8.5
69.03457	2.0
73.02941	0.7
77.03947	0.8
83.01384	13.5
83.01880	0.7
85.02953	4.8
93.03458	15.8
98.21867	1.9
99.94595	0.5
101.02445	5.1
107.01390	29.5
108.02178	1.4
117.03484	1.0
119.05027	78.3
120.05371	1.9
121.02975	3.0
125.02419	1.9
125.06096	3.4
125.58498	0.5
127.04004	2.5
137.02452	6.1
139.00368	2.6
143.05003	1.1
144.66458	0.6
145.02959	1.5
151.00371	74.8
152.00737	1.1
154.95227	0.5
157.05064	0.5
161.06062	1.4
165.01929	17.3
166.02594	0.8
169.01428	1.7
171.03024	0.8
174.01764	1.1
177.01921	9.6
178.02202	0.5
185.04514	2.0
185.06093	1.3
187.04028	3.3
195.06621	3.0
208.10747	0.7
227.07201	1.7
239.05612	11.3
263.36993	0.6
271.06113	100.0
272.06442	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	271.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33276	0.2
55.01870	0.3
59.01379	2.8
68.15434	0.2
69.03457	0.3
71.01382	7.2
72.99302	0.4
73.02952	2.8
73.50834	0.2
75.00883	0.3
83.01389	0.6
85.02952	3.0
87.00876	0.5
89.02424	0.5
93.03468	0.3
95.01373	1.0
95.05016	0.2
99.00896	1.3
101.01797	0.2
101.02448	4.1
107.05009	0.4
108.02176	100.0
109.02982	13.5
109.04045	0.3
110.02538	0.2
110.03300	0.3
110.73786	0.2
113.02447	4.0
121.02965	1.6
122.03777	0.4
123.00903	0.3
123.04504	1.8
125.02466	0.3
126.98911	0.3
127.98292	0.2
129.01981	0.2
130.08748	5.0
130.09660	0.4
132.98190	0.3
133.02986	1.1
134.03720	0.3
135.04550	0.6
139.14616	0.2
143.03488	0.3
151.04019	3.9
159.01836	0.2
159.02957	1.2
161.03226	0.3
161.04555	6.0
163.04013	2.1
168.99959	0.4
170.99559	0.2
174.99236	1.8
175.02510	0.4
198.71477	0.2
198.99254	0.3
201.00771	0.3
228.07256	0.3
230.08908	0.4
241.20552	0.2
246.36926	0.2
261.48380	0.2
270.97659	0.5
271.08084	1.3
272.09903	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	271.2278
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
50.78778	0.2
52.57413	0.2
53.93718	0.2
69.99353	0.4
77.95882	0.2
79.80714	0.2
91.54401	0.2
98.21924	0.2
108.02184	1.3
109.02927	0.3
164.62302	0.2
166.20110	0.2
187.87756	0.2
223.75211	0.2
225.22215	4.5
253.21667	1.7
269.21240	0.8
271.22772	100.0
272.23108	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	272.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65181	0.3
59.01377	10.3
60.45206	0.3
61.29869	0.3
71.01369	0.6
72.00916	0.5
72.02177	0.4
80.18092	0.3
84.08187	0.6
89.32463	0.4
99.00859	0.5
108.02189	2.7
108.92680	0.3
109.02468	2.9
110.03277	0.4
117.00455	2.1
124.98669	0.3
126.98877	0.4
128.07155	1.2
130.08733	100.0
131.02092	0.3
131.09077	1.9
131.87637	0.3
156.99867	0.5
168.99908	1.5
169.03619	0.3
172.00980	0.7
174.99255	0.4
210.06297	0.7
212.07861	0.5
212.99023	0.5
228.07356	2.3
230.08807	7.1
231.09081	0.5
254.24092	0.3
255.00078	0.4
265.42020	0.3
272.09894	54.4
273.04709	0.5
273.10095	3.6
273.33182	0.3
281.84125	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.9
67.01890	26.9
67.10530	1.1
68.99816	17.9
69.03462	2.7
69.28252	3.6
72.91964	1.0
95.05025	100.0
96.05418	1.5
99.03873	0.9
99.04502	4.3
101.02447	33.4
111.00889	12.3
111.04516	1.8
112.01717	1.4
115.00368	3.0
119.05016	2.6
121.02956	9.9
121.06618	2.1
123.04516	3.3
127.04012	62.8
134.03682	1.1
138.99301	1.5
139.00372	28.1
139.04005	9.7
147.04486	2.1
149.02451	2.0
165.05551	4.3
171.02931	1.5
175.02478	2.8
179.07117	3.8
223.06059	4.2
241.07219	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	273.098
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	43.4
68.99822	16.2
69.03469	2.8
69.37143	9.8
71.77684	2.5
95.05029	100.0
99.04517	31.9
101.02453	41.8
111.00890	16.4
121.02964	13.7
123.04554	3.1
127.04020	77.7
138.96426	2.2
139.00381	40.8
139.04008	17.7
165.05530	5.6
216.92599	2.1
223.73657	2.8
227.58952	2.1
241.07167	8.9
241.59689	2.0
284.85626	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	273.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	28.1
68.99821	21.9
69.03452	3.4
70.40575	3.3
70.76949	1.8
94.89211	1.3
95.05032	100.0
96.05364	2.8
96.54370	1.4
98.21925	1.8
101.02452	35.4
111.00894	10.4
112.01671	2.9
121.02977	12.6
123.04534	3.3
127.04018	71.3
135.04462	1.6
139.00381	29.2
139.04018	12.6
165.05568	4.3
175.02557	2.5
196.66168	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	273.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00302	0.9
67.66929	0.8
68.56094	0.7
96.95998	1.1
101.02453	1.6
119.04990	1.6
127.07689	1.0
144.65889	0.7
151.11276	1.1
152.00717	1.5
153.00757	1.3
169.12337	100.0
170.12669	2.7
185.65578	1.0
186.48277	0.9
197.11824	20.3
241.10803	90.7
242.11176	5.0
273.06555	5.2
273.13419	1.0
289.12653	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.3
58.37590	0.3
65.09151	0.3
69.24434	1.4
72.18098	0.3
81.03450	0.9
82.00590	0.5
83.01389	4.0
83.05019	0.4
84.02156	3.0
97.02966	0.3
97.06570	0.5
107.91003	0.3
125.09721	5.7
127.11283	1.6
128.11569	0.3
135.08134	0.7
146.72446	0.3
147.11754	0.4
163.11284	1.6
165.12845	1.1
165.17580	0.3
171.10268	4.3
181.12358	0.7
182.13106	0.5
191.10796	3.1
207.10228	0.4
209.11842	4.2
211.13303	0.7
223.13405	1.0
226.12108	1.6
227.07303	0.3
229.78358	0.4
239.12741	0.7
241.14513	1.8
243.16005	1.2
248.80775	0.3
273.17068	100.0
274.17422	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	273.186
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.63007	0.5
57.03428	0.9
58.56445	0.6
59.01378	12.3
61.02527	0.5
65.03953	0.7
69.03434	0.7
71.01371	0.8
83.05007	0.9
83.55621	0.5
88.82999	0.5
97.06618	1.0
97.50924	0.6
97.87349	0.5
105.07079	0.8
107.08662	0.8
117.07124	1.6
119.08646	1.3
121.10220	2.6
125.09711	1.2
147.08141	3.7
147.11780	0.9
149.13300	0.7
151.11333	0.7
163.11261	2.0
175.14905	8.4
177.12865	1.3
195.13846	2.1
201.16356	0.7
203.14421	0.9
227.18002	0.7
229.19598	38.6
230.19907	1.6
240.39497	0.7
243.17529	1.0
255.17473	1.2
272.23080	1.2
273.18591	100.0
273.23468	3.0
274.18933	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	275.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69259	2.8
59.01378	23.0
60.34875	3.0
69.03448	4.3
71.01386	48.0
72.66878	2.7
73.02952	3.2
80.02682	4.9
80.96503	3.6
81.03456	10.8
83.05038	10.4
85.02956	2.7
95.05010	5.5
97.02954	19.0
97.06563	3.2
105.03448	3.6
106.04256	4.6
109.06591	95.9
109.07357	5.4
110.03719	9.7
121.06610	5.7
123.04538	3.7
125.09710	5.1
127.11324	3.1
133.02934	16.7
134.03743	38.2
135.04524	12.6
135.08170	12.4
136.05266	5.3
137.02505	3.0
142.02654	6.4
161.02483	4.6
161.09700	5.6
162.03223	17.3
163.11304	48.3
165.15508	2.6
171.10258	12.5
178.02707	8.6
179.10767	3.3
181.12331	20.2
189.09076	3.8
193.62582	2.9
199.13374	8.6
207.10262	100.0
207.50932	2.6
208.10612	3.5
225.11267	28.5
226.11621	2.8
231.10278	20.1
231.19762	2.8
243.12350	10.4
260.73090	3.3
275.09366	36.2
275.14990	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	275.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87903	0.6
59.01371	4.6
71.01386	0.9
79.95722	0.9
83.05009	0.7
113.97163	0.6
116.92822	0.7
167.10664	0.5
177.16472	2.7
192.95879	2.3
231.17732	0.6
231.21167	8.1
257.19278	0.8
275.20157	100.0
276.20496	6.7
295.91470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35608	0.6
59.01380	5.0
61.98829	1.4
70.97578	0.9
71.01376	0.9
93.74632	0.7
95.10098	0.6
98.91566	0.6
116.92851	1.7
126.48677	0.6
159.11879	0.6
177.16440	1.4
191.10864	0.7
192.95840	1.6
193.88524	0.8
231.21179	6.9
262.76483	0.7
275.20157	100.0
276.20560	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	275.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66286	0.6
59.01118	0.7
59.01381	9.0
61.98818	0.7
70.98714	0.9
71.01365	0.8
79.97577	0.6
83.05016	0.7
96.96000	1.3
99.92619	0.7
116.92841	2.8
129.13704	0.6
132.18445	0.5
134.89470	1.3
135.97014	0.7
177.16512	1.4
189.33760	0.6
192.95879	2.9
193.88544	0.9
201.90471	0.7
203.18033	0.9
211.78738	0.7
231.21182	10.0
275.20151	100.0
276.20502	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	276.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76106	35.6
58.36728	30.7
61.88997	36.5
62.21646	33.4
69.92115	100.0
94.39268	37.3
139.36182	36.8
152.91759	60.7
194.92775	50.1
194.95740	44.0
233.10225	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11243	3.2
57.63728	3.6
61.98762	3.2
66.41981	3.2
69.10634	21.0
72.66586	3.4
83.41288	3.3
84.01984	3.8
89.13863	3.4
98.22625	7.4
113.31915	3.6
121.06519	4.1
126.57612	3.6
131.44217	3.7
147.07144	3.5
165.12918	3.5
177.24062	4.0
211.13368	14.7
233.11574	100.0
276.12180	53.4
276.16748	7.5
277.21698	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	276.9181
Annotation	Unknow
Peak:m/z	Relative Intensity
68.00809	0.3
68.33678	0.3
69.36964	1.2
79.95761	1.1
92.95965	0.4
96.96011	30.5
98.21802	0.5
98.95545	0.4
102.64182	0.2
134.96089	0.8
134.97050	7.5
135.97157	0.4
136.94011	100.0
137.94080	3.9
176.98132	1.9
178.95032	1.7
183.51276	0.3
196.90858	1.1
216.89673	85.0
217.89728	4.2
234.90732	19.6
235.90784	1.0
276.88553	0.9
276.91791	2.3
276.98215	5.0
277.21793	1.4
277.98355	0.5
289.90390	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1445
Annotation	alpha-Cehc
Peak:m/z	Relative Intensity
53.86560	1.1
55.01883	1.9
57.03445	1.6
59.01383	11.2
60.70187	1.3
67.05533	2.1
69.03447	1.3
69.69979	3.7
71.05020	52.2
81.03442	3.7
83.05029	3.5
93.03452	3.9
93.07095	1.7
95.05024	4.7
96.02145	1.2
97.06563	1.8
98.21873	1.2
106.04244	1.4
107.05029	5.9
109.03000	1.8
109.06593	53.1
109.07351	2.6
110.03751	3.0
111.04523	26.7
119.05064	1.8
121.02838	1.7
121.06597	2.2
121.10208	1.7
123.04509	2.6
123.08114	3.2
125.06092	2.0
127.07629	5.4
132.05861	1.5
134.89516	1.5
135.08144	2.8
147.04453	2.6
147.08134	11.2
149.06131	1.5
149.09676	1.7
150.06898	2.0
151.07645	2.2
152.91771	1.6
159.08159	1.6
161.06073	1.6
161.09718	23.6
164.08408	1.8
165.09210	64.3
166.09549	1.4
175.07642	4.6
175.11281	2.9
177.12834	36.9
179.10793	7.3
191.10841	1.7
194.92863	3.0
203.10770	3.1
205.12346	1.7
215.14409	31.6
215.16373	2.2
216.14737	1.3
221.11807	2.3
224.65979	1.1
233.15457	18.0
235.13184	1.4
241.12416	1.8
252.69646	1.2
259.13382	47.5
260.13620	2.0
277.14459	100.0
277.17957	6.9
277.21561	18.4
278.14783	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	277.1445
Annotation	alpha-Cehc
Peak:m/z	Relative Intensity
57.03442	1.0
57.36905	1.0
59.01384	7.3
63.26070	0.9
69.17043	5.6
71.01395	1.2
71.05018	38.6
78.73174	1.0
81.03458	3.2
83.05036	3.0
93.03477	2.4
95.05021	3.6
96.23605	1.1
97.02994	1.3
97.06569	1.6
97.23770	1.0
98.22583	2.3
107.05014	5.0
109.02924	1.7
109.06591	41.8
110.03703	1.3
111.04525	17.6
121.06561	1.4
123.04476	2.2
123.08144	1.7
125.06039	1.6
127.07645	2.9
135.08188	1.3
137.06091	1.8
146.90953	1.0
147.04500	2.2
147.08148	9.6
149.09715	1.2
150.06880	2.2
151.07658	2.7
151.11205	1.6
152.91713	2.0
161.01187	0.9
161.09712	20.3
164.08327	1.6
165.09200	53.3
166.09473	2.0
175.07637	4.4
175.11243	2.8
177.12848	29.0
178.13217	2.7
179.10756	6.5
185.09787	1.3
191.10933	1.2
194.92729	4.9
194.95557	2.0
203.10767	1.6
205.12347	2.1
215.14395	30.6
216.14688	1.4
221.11809	3.7
233.11780	2.6
233.15425	15.9
241.12231	1.4
259.13382	44.8
260.13623	2.6
277.11292	3.9
277.14435	100.0
277.17795	4.2
277.21619	22.9
278.14719	5.0
293.46997	1.2
293.50174	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.00988	0.8
50.61828	0.8
59.01372	2.1
67.05000	0.8
67.92289	0.9
69.45031	3.6
71.33417	0.9
102.71970	0.9
130.05191	0.9
142.36702	0.8
156.49849	1.0
202.28375	0.8
211.44186	0.9
262.71069	0.9
270.32455	1.0
277.21729	100.0
278.22009	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	279.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02200	0.5
61.35944	0.7
65.37179	0.6
69.37398	2.5
71.01382	19.6
71.21548	0.6
72.99293	0.8
93.03466	0.8
108.05841	0.6
112.07024	0.6
115.00365	12.3
119.05025	61.4
120.05370	1.7
133.01431	14.7
135.48338	0.6
140.70981	0.6
163.04005	100.0
164.04364	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	279.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50635	0.7
68.88937	0.7
70.01790	0.7
70.77849	0.7
70.80440	0.8
71.01382	18.0
72.99307	2.8
89.02451	1.4
101.02496	0.9
105.89773	0.7
115.00375	37.8
119.05029	30.4
120.05387	0.8
120.29794	0.8
125.18568	0.7
133.01436	100.0
134.01819	1.6
145.05319	0.7
149.98091	0.7
150.11174	0.7
163.04010	31.7
163.05377	1.8
172.34532	0.8
192.84111	0.8
230.07910	0.8
245.59967	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05248	0.8
56.97939	0.8
69.40533	3.2
69.56229	0.8
71.01012	1.2
71.01382	17.9
72.99303	2.0
80.57532	0.8
87.00881	0.9
88.48940	0.9
89.02401	1.9
98.22646	1.2
115.00375	38.7
116.00760	0.9
119.05035	41.1
120.05343	0.9
122.46426	0.8
133.01437	100.0
134.01718	1.1
152.66759	0.8
162.04433	0.8
163.04022	38.8
164.04289	1.4
203.05878	0.9
212.20111	0.9
279.22913	0.8
282.94101	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51391	6.7
56.13207	5.9
59.01376	19.4
61.20787	5.4
67.33889	5.9
71.01429	13.6
73.02961	5.9
81.03457	10.5
83.05045	15.0
95.32043	5.8
97.02965	8.6
109.06600	91.8
121.06580	8.8
123.09125	6.9
135.08173	8.6
142.02684	7.5
163.11267	60.6
181.12360	18.5
207.10248	100.0
225.11348	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64673	1.3
57.03437	3.1
59.01374	35.7
60.93726	1.1
69.61755	3.6
71.01369	2.8
79.17128	1.1
80.02660	1.7
81.03452	4.5
83.05052	1.7
87.17133	1.5
93.03465	1.6
95.05013	7.3
97.02953	13.4
97.06589	14.9
109.06577	2.1
110.03669	2.1
111.04534	1.2
113.06180	1.5
121.06608	2.1
123.04504	3.0
125.09698	1.4
133.06598	4.7
135.08183	7.6
137.09698	5.1
149.06096	2.3
149.09691	2.7
151.07607	2.4
153.09209	4.5
155.70399	1.6
157.08701	4.3
161.09637	2.3
163.07617	4.2
163.11287	32.8
170.01480	1.6
181.08769	1.5
181.12392	8.2
189.12843	5.8
197.08226	3.5
199.14995	2.8
200.01198	67.6
217.15962	100.0
218.16199	5.4
235.16924	3.4
243.13841	1.6
261.14941	52.8
262.15326	3.4
273.00394	1.5
279.13092	2.6
279.15985	25.2
279.19574	10.8
279.23175	7.5
279.96875	8.1
280.16049	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1602
Annotation	Acrostalic acid
Peak:m/z	Relative Intensity
55.37660	1.2
57.03447	7.8
59.01379	46.5
65.01603	1.0
66.31395	1.2
67.01890	1.8
68.51021	1.2
69.03461	4.2
69.42819	2.2
69.43238	4.1
71.01396	1.7
71.05038	2.3
71.88485	1.2
80.02651	2.3
81.03458	6.7
83.01408	4.8
83.05025	8.5
85.02968	2.0
93.03439	2.0
95.05033	16.0
97.02961	21.6
97.06590	29.7
98.03750	2.7
98.22693	1.2
99.04526	1.1
104.69696	1.0
107.05038	2.6
107.08697	1.5
108.02190	1.3
109.06599	5.4
110.03726	1.5
111.04557	1.4
111.08129	1.7
113.06087	6.2
113.09724	3.5
119.08711	1.4
121.06573	3.3
121.10227	3.4
123.04552	5.3
123.08164	2.3
124.05342	1.5
124.49520	1.1
125.06097	3.5
132.05850	1.7
133.06586	6.0
135.08153	13.3
137.06128	1.4
137.09718	13.7
139.07652	10.8
143.07202	1.5
147.08159	2.2
149.06122	3.1
149.09749	6.5
151.07629	3.8
153.09221	5.8
157.08687	3.8
161.09683	2.6
161.14160	1.1
163.07669	6.5
163.11279	30.4
164.11635	1.2
165.09195	2.5
166.09975	1.4
175.11359	2.3
181.08733	10.4
181.12325	13.9
183.10240	1.3
189.12860	7.2
196.81978	1.4
197.08174	3.9
199.14983	1.9
205.12323	1.9
207.14024	1.7
209.08197	2.3
217.15967	100.0
218.16367	3.9
235.17033	7.8
243.13834	1.8
243.79129	1.4
261.14944	36.3
262.15378	1.9
279.16022	34.7
279.19519	5.1
279.23126	3.0
280.16235	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.16
Annotation	Acrostalic acid
Peak:m/z	Relative Intensity
54.22375	1.2
57.03454	6.8
59.01377	48.6
60.43788	1.1
64.59525	1.2
67.01888	2.5
67.82346	1.1
69.03440	4.6
69.52594	4.1
71.01382	1.8
80.02684	1.3
81.03450	6.5
83.01375	5.4
83.05022	12.3
85.02954	2.4
93.03423	2.0
95.05022	17.4
97.02953	21.5
97.06592	31.9
98.03731	2.3
99.04517	1.7
106.04238	1.8
109.06570	3.4
110.03712	2.1
111.08086	1.9
111.55343	1.3
113.06087	2.0
119.08626	1.5
121.10210	5.0
123.04536	6.7
123.08167	2.1
124.05269	1.5
125.06099	1.8
125.09716	2.5
126.18940	1.2
131.05022	1.4
133.06592	6.2
134.89481	1.2
135.08151	13.7
137.09715	14.7
139.07642	15.0
147.08195	1.8
149.06050	1.6
149.09732	6.6
151.07655	2.4
152.42404	1.3
153.09247	6.5
157.08705	2.6
161.09709	2.5
163.07634	6.7
163.11282	31.3
165.09132	4.0
175.11250	2.2
179.10722	1.6
181.08710	14.4
181.12350	13.7
187.11160	1.2
189.12849	6.5
193.12315	1.8
197.08105	6.1
199.14948	3.6
211.87047	1.3
217.15962	100.0
218.16327	6.1
229.94649	1.4
235.17113	3.1
243.13803	2.2
250.72916	1.7
261.14951	26.1
262.15222	2.0
279.15961	23.0
279.19559	5.3
279.22870	2.5
280.06229	1.6
301.07822	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33947	0.9
53.09610	0.9
57.03439	2.2
59.01381	8.6
65.03962	1.2
67.05531	1.0
69.03448	3.0
69.60153	3.3
71.05018	11.5
80.02686	1.2
81.03455	3.3
83.05008	5.7
93.03467	1.7
93.70664	1.0
95.05045	8.3
96.27435	1.0
97.06585	3.1
98.03729	3.0
107.05034	1.1
107.08662	1.5
109.05875	2.0
109.06586	28.1
110.03715	1.5
111.04508	18.6
111.08112	2.4
112.05330	1.9
121.06581	2.4
123.08177	4.7
125.06069	1.5
127.07651	11.8
135.08157	3.9
137.06139	1.1
137.24675	0.9
139.07605	1.2
145.06548	1.8
149.06070	1.4
149.09721	3.9
151.07663	1.1
153.09222	1.9
161.09738	1.4
163.11285	15.0
164.11592	1.0
167.10764	3.5
177.12761	1.3
179.14401	3.4
189.12811	1.6
197.33968	0.9
207.10223	3.3
217.15971	36.4
218.16261	2.1
223.13396	3.9
235.17035	1.6
243.13885	2.8
261.14932	100.0
262.15262	5.6
279.13089	2.2
279.16006	22.1
279.23212	2.3
280.16376	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.5
57.03443	4.8
59.01379	9.9
65.03964	30.0
66.04302	1.1
67.01904	1.7
69.03455	2.2
69.11350	2.3
69.11755	2.9
71.05021	25.1
80.02678	2.5
81.03472	0.8
83.05027	9.7
95.05025	9.1
96.96003	1.4
97.06592	100.0
98.06931	1.6
107.05023	1.5
107.60036	0.7
109.06596	13.6
109.19357	0.8
109.69550	0.8
110.05723	0.8
111.08181	1.2
113.09727	3.3
118.36886	0.7
119.08672	4.7
121.06598	47.7
123.08162	1.0
125.09718	12.4
131.36539	0.8
135.08173	1.8
137.09695	4.0
137.10751	0.8
139.07635	6.1
141.05605	1.4
145.10213	1.4
157.08707	46.2
163.07701	1.4
163.11256	1.6
181.08707	23.7
183.10255	14.4
189.09120	1.1
197.11696	1.9
202.03516	0.9
207.10266	55.8
208.10573	2.3
217.16003	2.2
221.11841	1.2
261.14960	11.8
279.12970	1.5
279.16025	33.4
279.19165	1.8
279.23138	3.1
280.16321	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1602
Annotation	3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate
Peak:m/z	Relative Intensity
51.67656	5.6
57.03447	26.4
59.01383	53.9
62.03082	5.4
66.87532	5.2
69.03465	13.4
69.44729	21.0
71.01385	42.6
75.22931	4.7
80.69348	5.9
81.03471	7.5
83.01319	9.4
83.05025	56.2
85.02980	6.6
93.03456	11.9
95.05044	12.9
96.51601	5.6
97.02940	8.7
97.06590	62.0
107.05031	10.5
108.72111	5.7
109.02956	9.3
109.06561	21.2
111.04444	5.9
111.08173	7.9
117.73307	5.9
119.04971	5.4
119.08688	10.5
121.06597	12.0
123.04521	16.1
123.08159	59.8
125.09711	17.6
135.08163	28.5
137.02498	5.6
137.09729	46.5
141.09283	7.8
151.07639	28.2
153.09210	41.7
155.10805	22.5
160.81519	5.0
163.07645	64.6
163.11305	29.3
167.10751	8.2
171.10254	8.5
181.08708	86.6
181.12303	33.5
189.12915	9.8
192.07889	5.8
196.07367	11.9
207.17577	8.2
209.15411	20.0
217.15945	99.5
235.17035	36.6
251.16600	7.1
261.14905	33.6
261.18509	15.9
273.30685	5.9
279.16013	100.0
279.19614	58.3
279.22754	8.8
280.16299	6.0
284.11288	5.7
288.41202	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	279.1967
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
56.13153	0.5
57.03458	2.9
59.01374	2.6
71.01358	0.4
71.05015	1.1
71.43994	0.4
82.33334	0.4
83.05011	1.2
97.06618	0.5
99.08158	22.9
100.08517	0.4
107.08653	0.7
109.06585	0.8
125.09748	2.1
134.89505	1.0
149.09770	0.7
167.10793	2.0
171.10266	2.5
177.12830	0.7
179.10812	2.1
195.13911	3.6
219.71613	0.4
235.17062	0.5
235.20628	2.6
241.79251	0.4
243.79143	0.8
261.18564	3.2
279.19656	100.0
279.23083	4.8
280.19977	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	279.1966
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
54.27285	1.0
55.74707	0.9
59.01366	4.6
69.43966	1.6
69.44370	3.4
71.63190	1.0
76.41439	1.1
80.98199	1.1
87.38928	1.0
87.99947	1.1
89.92290	1.0
101.95116	1.1
107.08665	27.0
108.08990	1.6
123.70616	0.9
125.09692	1.8
134.89479	2.4
135.69986	1.1
136.89188	1.4
146.49876	1.1
151.11285	1.1
171.10265	61.5
183.13898	7.2
185.11803	3.1
189.16432	1.4
197.90144	1.4
211.13426	2.8
217.19585	6.3
235.17052	16.0
243.79167	1.7
251.20035	1.3
261.18579	100.0
262.18979	6.9
279.19647	95.2
279.23038	3.0
280.19937	5.5
287.25491	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1966
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
59.01371	1.4
61.63912	0.4
61.98833	0.6
67.48782	0.4
69.28275	0.8
69.28681	1.5
75.65987	0.4
78.17532	0.4
97.06578	0.7
98.21927	0.6
99.08160	0.6
107.08626	0.6
112.22108	0.4
134.89445	0.5
136.48447	0.4
136.89133	0.5
146.36049	0.4
171.10303	2.4
179.14430	0.8
179.94563	0.4
181.12311	1.0
195.13892	11.5
196.14626	2.4
205.15959	0.5
209.26921	0.4
211.13441	0.5
217.19690	1.0
221.15509	0.9
223.13394	8.8
224.13966	0.8
224.25026	0.4
228.13870	0.5
242.46451	0.4
243.79091	0.6
243.83350	0.4
251.20218	0.9
256.13229	3.2
261.18561	10.5
262.18927	0.9
279.19641	100.0
280.20004	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	279.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.5
59.01371	3.6
59.32666	0.9
64.95133	0.8
68.80340	0.8
76.23405	1.0
96.95995	2.2
107.08652	0.9
125.09714	5.4
127.11284	2.6
135.08224	1.3
137.99611	0.9
141.12915	1.0
141.17030	0.8
153.12868	1.8
185.11787	6.3
197.11842	2.1
235.20659	2.1
247.16875	1.1
279.19662	100.0
279.23132	7.8
280.20010	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	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
69.52319	0.5
69.52728	0.8
98.22322	1.0
111.69187	0.3
134.89435	0.5
136.89198	0.3
140.88855	0.2
242.62885	0.2
243.78946	0.4
279.23288	100.0
280.23645	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	280.1189
Annotation	Mortivinacin C
Peak:m/z	Relative Intensity
59.01383	6.1
69.16281	5.1
71.01406	1.3
76.41151	0.9
85.02961	1.6
89.02460	0.8
92.04517	1.2
92.05068	14.0
104.34822	0.7
105.25761	0.7
105.92356	0.8
115.59624	0.7
118.02985	3.4
122.06172	1.0
135.03265	3.3
135.04495	1.6
148.03888	0.8
150.05617	100.0
151.05943	2.4
161.02429	1.8
163.04172	0.8
171.06898	0.9
175.58775	0.8
177.05609	1.5
194.04434	1.0
194.08232	31.0
195.08624	0.9
209.02782	0.8
218.67825	0.8
221.04578	0.9
236.09160	1.4
242.41066	0.7
279.23251	1.8
280.11853	9.2
280.23605	1.6
294.76254	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0931
Annotation	Deoxynybomycin
Peak:m/z	Relative Intensity
59.01375	35.8
65.03950	8.0
69.03447	10.5
69.54655	4.9
69.54995	16.1
75.00880	46.4
81.03471	4.2
87.83884	4.2
93.03467	6.3
96.96006	9.8
97.06589	4.9
98.22615	8.6
109.02962	15.7
111.08164	12.7
123.08125	4.6
125.09739	4.8
129.43631	4.2
151.25861	4.1
165.12875	4.9
167.10815	7.2
169.08743	27.0
171.10364	5.7
179.14343	5.5
183.10263	8.1
195.13911	19.0
205.12291	17.1
223.13402	92.8
245.11508	40.3
263.16510	19.4
281.09250	100.0
281.14307	8.3
281.17557	55.9
281.24719	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	281.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10959	0.5
55.01870	5.7
57.03447	3.4
58.00598	1.0
59.01375	100.0
60.01716	0.7
60.67644	0.5
68.45441	0.6
69.03436	0.7
69.73922	0.6
69.75629	1.4
71.01377	78.2
71.05009	0.7
72.01736	0.8
72.99285	1.4
73.02942	21.1
75.00865	1.0
81.03430	0.8
83.01384	7.9
85.02946	29.3
87.00870	3.7
87.04517	2.4
89.02438	47.0
90.02804	0.9
95.01374	6.1
97.02938	1.9
98.22633	1.1
99.00880	6.7
101.02438	66.0
101.06050	0.8
102.02771	1.1
103.04069	0.7
113.02444	33.7
119.03493	20.8
119.07137	13.4
125.02429	1.7
127.64943	0.6
129.01944	1.0
131.03494	2.0
143.03476	5.6
149.04556	1.2
159.02995	5.6
161.04546	43.7
162.04884	0.9
179.05598	5.2
195.48077	0.6
281.09299	1.9
281.12396	53.0
282.12650	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	281.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01711	0.8
60.33995	0.4
68.68323	0.4
69.31878	0.4
69.88922	1.2
69.89265	0.5
71.01390	1.9
71.95383	0.4
73.02967	0.7
85.02945	0.5
87.00861	0.7
89.02454	1.0
98.21983	0.7
100.74946	0.5
101.02453	2.2
113.02473	1.1
117.01958	0.5
119.03567	0.6
125.13818	0.4
133.02951	1.3
134.03784	0.8
135.03023	0.5
135.04529	4.3
149.06111	0.9
161.02463	6.7
161.04602	1.1
163.04025	0.7
177.05602	2.9
179.03522	5.5
209.93089	0.5
221.04626	3.7
221.06598	0.7
221.10330	3.3
281.06613	2.2
281.11658	1.3
281.24902	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1757
Annotation	Fumagillol
Peak:m/z	Relative Intensity
57.03448	2.1
59.01375	10.2
64.37434	1.0
67.01888	9.2
68.93825	0.8
69.03453	2.3
71.01382	1.5
71.43565	1.1
79.48332	1.0
81.03458	1.6
82.84046	0.9
83.05021	3.8
85.02940	4.5
85.06590	1.3
87.00889	1.4
93.03455	6.7
95.05035	5.7
97.02935	1.1
97.06593	28.7
98.06940	0.8
99.04510	1.0
105.03464	1.5
109.02984	2.1
111.04507	1.3
111.08128	1.8
121.10236	11.4
123.08060	1.2
133.02971	4.3
134.03702	2.4
135.04504	3.5
137.02449	1.6
137.09729	2.9
139.07634	1.3
139.11314	4.6
141.05510	1.6
143.07164	7.0
147.08167	3.8
155.10724	1.1
157.08716	5.5
165.09203	5.1
165.12817	2.1
166.40266	0.8
167.10764	1.5
169.08713	1.5
173.04575	4.9
175.53632	7.6
176.03850	2.0
177.01910	1.6
178.02672	2.9
181.08749	1.8
183.10262	100.0
184.10599	3.4
191.05611	11.3
200.01222	2.6
200.04880	0.9
201.01474	4.5
201.16556	1.3
202.00917	10.2
211.13406	11.9
215.05617	1.6
219.17552	3.7
237.11256	1.2
245.15544	1.6
263.16513	91.0
264.16797	4.6
281.10358	4.0
281.17609	6.6
281.20456	1.3
281.24719	1.9
281.60486	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1758
Annotation	Nardosinanol D
Peak:m/z	Relative Intensity
55.01854	1.5
57.03444	9.2
59.01108	1.6
59.01381	18.0
69.03461	5.0
69.36495	3.9
69.36899	1.6
71.01389	2.4
71.05021	13.4
73.02944	1.2
75.33956	1.2
77.12503	1.0
83.05028	4.9
84.02170	1.3
85.02949	1.2
85.06589	4.5
87.04504	4.1
94.50313	1.1
95.01422	1.3
95.05022	2.3
97.02957	2.9
97.06580	10.3
107.05023	1.2
107.08618	1.6
109.06585	3.4
111.04525	2.3
111.08150	2.2
119.08678	1.0
123.08167	3.4
125.09697	1.4
127.07642	1.6
129.09207	1.6
137.09698	1.7
147.11823	2.4
149.09685	5.0
151.11290	2.6
155.10768	3.6
161.13336	2.9
167.10771	61.8
168.11113	2.4
173.04520	1.5
173.13368	1.3
175.11270	2.6
175.53612	2.2
177.09151	1.7
179.14389	1.2
183.10240	2.5
191.05565	2.3
193.12294	14.5
193.22343	1.1
195.10260	4.8
195.13939	2.0
200.01160	2.4
201.01491	5.8
201.16498	3.7
202.00882	11.7
205.12350	4.7
207.13979	1.4
209.15511	2.2
211.13367	4.7
219.17476	5.0
223.13412	5.8
245.15422	1.3
263.16516	45.7
264.16730	2.5
281.17569	100.0
282.17871	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	281.1758
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
57.03440	3.4
59.01382	6.3
62.10820	1.2
64.00208	1.3
66.48236	1.3
67.34631	1.3
69.03449	5.3
70.50072	1.6
79.72537	1.2
83.05022	3.0
91.48996	1.3
93.07050	1.8
95.05043	1.8
96.75876	1.3
97.02954	5.5
97.06589	3.2
109.06582	2.8
111.08160	35.2
114.45525	1.4
119.08583	1.5
123.08147	3.0
125.06084	1.8
125.09727	11.9
126.26448	1.3
135.08113	1.6
137.09732	6.2
139.11253	1.7
141.09213	4.7
143.07130	4.9
151.07651	3.3
153.09218	3.2
154.62393	1.4
155.10750	4.3
165.12791	2.9
169.08699	100.0
170.09096	2.7
171.10266	4.3
183.10275	16.8
197.11832	1.9
199.09735	7.5
201.16521	2.6
219.17528	9.7
235.17055	4.4
237.14940	2.0
245.15483	2.8
263.16534	31.2
264.16968	2.0
281.17569	44.9
282.17795	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	281.1758
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
57.03433	1.8
58.00581	1.5
59.01396	5.2
69.03456	3.1
69.70770	2.3
69.71133	2.3
73.02935	1.6
83.05019	1.7
95.05009	1.6
97.06621	2.1
98.22530	1.4
109.06576	1.5
111.08157	34.7
121.10231	2.4
123.08170	2.2
125.09741	10.4
127.07637	3.8
137.09743	2.6
139.07675	1.7
139.11243	2.5
141.09213	4.4
143.07184	1.3
149.09726	2.1
151.07614	4.4
153.09245	6.6
155.07230	1.7
155.10780	4.0
165.09229	1.4
165.12860	1.8
169.08699	100.0
170.09030	3.3
171.10265	4.2
177.82832	1.1
183.10237	16.3
193.08676	1.5
193.10361	1.0
199.09781	3.5
201.16550	2.0
208.09775	1.0
219.17520	2.9
235.17026	11.3
237.14989	3.2
245.15413	1.5
263.16483	16.0
281.17581	36.3
282.17874	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	281.1759
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
57.03432	1.8
59.01381	7.8
69.51005	1.1
69.51414	1.7
70.42215	0.5
71.01369	0.8
79.47744	0.5
83.05030	1.3
84.22136	0.5
85.06604	0.6
87.75890	0.6
95.05037	1.5
97.02927	0.8
97.06578	3.1
98.03727	0.9
98.21822	0.9
99.08162	1.1
111.08161	2.1
113.09718	4.8
115.07634	1.2
119.72655	0.6
120.05886	0.6
123.08209	0.7
125.06054	1.5
126.06873	2.2
135.08200	0.6
137.09723	4.3
139.07648	3.1
139.11279	3.8
141.09204	8.3
143.10741	1.1
147.08189	0.7
149.09695	0.9
149.44238	0.5
151.11301	1.9
152.08398	0.6
153.09198	2.4
155.10802	2.2
165.09258	1.6
165.12842	15.1
167.10799	3.0
183.10246	2.7
184.21834	0.5
185.11790	1.0
189.12785	0.6
190.60120	0.5
191.14427	3.1
193.12399	0.9
201.11322	0.7
209.19096	1.0
212.10432	4.4
214.12032	0.5
217.15889	0.7
219.17532	13.3
220.17749	0.7
237.18613	5.5
245.15590	3.2
253.18132	1.6
263.16516	30.4
264.16904	2.0
281.17578	100.0
282.17899	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	281.1757
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
57.03445	7.3
59.01378	76.6
67.01871	3.0
69.03459	6.1
69.62582	8.1
69.62933	2.9
71.01366	2.5
71.05037	5.7
80.02682	5.4
81.03444	2.7
83.01374	11.0
83.05025	28.0
85.02971	2.3
91.35472	2.0
93.03477	2.8
95.05037	17.8
97.06588	37.6
98.03727	8.5
98.21796	2.8
109.06592	5.4
111.08114	3.7
113.09726	5.4
123.04487	4.5
123.08085	2.7
127.11285	5.1
133.06560	4.9
135.08186	11.5
137.09750	12.8
139.07657	31.8
139.11305	21.5
153.09169	4.8
160.97134	2.0
163.07675	6.2
165.09174	4.9
165.12842	59.3
167.10785	7.8
175.35977	2.5
177.12799	3.3
181.08688	36.6
183.10384	2.6
183.13896	50.9
191.14394	6.6
201.16522	2.5
211.04398	2.6
219.17525	100.0
220.17851	4.4
237.18593	7.3
245.15402	3.5
253.17908	2.4
263.16504	28.0
281.14520	3.8
281.17618	58.8
281.20920	3.3
281.24380	3.0
283.74115	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	281.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85429	1.4
57.03445	1.6
58.00582	1.6
59.01384	10.5
69.03449	6.8
69.36119	6.3
71.01398	2.0
83.05012	2.4
95.05034	3.3
97.02937	4.6
97.06590	4.1
109.06602	4.4
111.08156	34.7
119.08714	3.0
121.10208	5.9
122.90788	1.4
123.08089	3.8
125.06110	2.7
125.09714	12.3
127.07657	5.9
127.86742	1.4
135.08176	2.2
137.09706	10.6
139.11258	5.2
141.09222	3.1
143.07130	19.2
149.09683	3.4
151.07715	3.9
153.09261	8.9
155.10738	4.9
159.52831	1.6
165.09244	1.8
165.12859	3.2
167.10771	2.1
168.89281	1.7
169.08694	100.0
170.09015	2.6
171.10260	4.1
181.08714	2.0
183.10245	35.2
193.08688	2.3
194.09457	3.1
199.09729	4.3
201.16476	3.4
219.17517	8.6
235.17001	10.2
237.14911	3.0
245.15477	3.5
263.16473	34.6
281.17557	79.3
282.17697	2.9
303.19656	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	281.1758
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
57.03440	5.6
59.01374	18.2
65.44012	1.1
67.84404	1.2
69.03465	7.0
69.29276	2.2
69.29668	3.2
71.05017	4.5
81.03455	2.0
83.05009	3.4
84.02177	1.5
85.02949	1.3
93.03493	1.8
95.05016	6.6
96.02158	1.8
97.02926	5.9
97.06590	17.5
107.05025	1.5
107.08665	1.5
109.02959	1.7
109.06575	3.5
111.00884	1.3
111.04572	2.0
111.08148	7.8
113.09715	3.7
119.08662	9.4
121.10197	2.7
123.08138	4.3
125.06080	5.5
125.09744	6.5
127.07655	3.5
133.02925	1.4
135.08148	9.6
137.06052	1.6
137.09727	16.0
139.07614	3.4
139.11340	1.6
141.09209	2.1
143.07146	33.7
149.09734	2.7
151.11295	7.4
153.09181	3.0
155.07123	14.4
157.08690	7.1
161.09792	1.7
163.11287	1.6
165.09175	6.5
165.12823	11.5
169.08659	2.2
175.53677	2.3
181.08693	4.9
183.10292	3.1
185.08224	4.1
191.05574	2.6
191.14427	3.2
195.10225	1.7
201.16408	1.6
211.13374	1.9
219.17529	32.8
220.17874	2.7
226.22556	1.2
235.17046	2.6
245.15475	4.6
263.16495	100.0
264.16785	5.7
281.17575	91.1
282.17880	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	281.1757
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
50.12716	3.2
57.03428	6.8
59.01369	19.0
62.09944	3.3
69.03442	12.1
70.49916	5.3
71.01362	4.1
71.05025	7.8
73.02938	9.5
81.03415	3.4
83.05018	5.1
85.78311	2.8
93.07073	3.5
95.04995	7.6
95.08680	3.9
97.06593	15.8
99.08134	4.6
107.08656	7.8
109.06581	7.7
111.04511	6.3
111.08159	48.0
113.09711	4.6
119.08659	10.0
123.08159	18.9
125.06110	6.8
125.09731	19.0
127.07634	6.7
135.08160	4.8
137.06117	3.4
137.09702	29.3
139.07625	7.8
141.09221	4.8
143.07130	79.3
155.07138	42.1
157.08684	20.8
165.12798	6.6
169.08693	58.0
171.10353	4.7
181.12370	22.7
183.10222	10.3
185.08232	19.9
195.13855	9.2
197.11754	8.1
201.16487	9.9
205.12305	6.0
211.13380	4.7
212.13788	4.3
219.17564	12.6
223.13461	16.8
235.16910	7.7
245.15381	9.1
263.16516	75.1
281.14526	6.2
281.17569	100.0
282.17871	4.5
294.12079	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1758
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
57.03439	1.7
59.01375	6.0
65.96735	0.8
69.30624	4.2
71.01374	1.1
75.25163	0.9
83.05004	1.0
91.76974	1.0
93.07062	1.0
97.06606	1.9
98.03710	1.6
98.22574	1.9
109.06557	2.0
111.08138	3.8
113.09744	1.3
121.06647	1.0
123.08163	6.7
124.69138	1.0
125.06070	1.2
125.09726	10.4
127.11282	4.9
129.09196	1.2
135.08186	1.9
137.09703	1.3
139.07594	1.8
141.09232	2.1
143.10783	1.2
151.07640	1.2
151.11258	1.3
153.09236	2.1
155.10765	9.2
165.12857	2.0
171.10233	2.2
183.13892	2.5
198.09016	1.1
200.10440	1.3
217.15950	2.2
219.17543	30.6
220.17909	1.0
237.18602	10.6
245.15549	2.5
253.17998	1.1
263.16510	23.3
264.16901	2.0
275.28494	1.1
281.17572	100.0
282.18042	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	281.2123
Annotation	12(S)-hydroxy-16-Heptadecynoic Acid
Peak:m/z	Relative Intensity
57.03451	0.5
59.01385	2.3
63.68892	0.3
69.12844	1.6
82.89368	0.3
83.05032	0.5
92.21516	0.3
99.08152	2.4
102.09500	0.3
106.11197	0.4
168.48529	0.3
177.12837	0.6
179.14388	1.1
181.12370	0.6
195.13904	18.2
196.14203	1.2
202.22388	0.3
218.38205	0.3
245.19263	0.5
263.20148	17.1
264.20532	1.1
281.21216	100.0
282.21561	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	281.2486
Annotation	Petroselinic acid
Peak:m/z	Relative Intensity
54.39547	0.3
55.13763	0.4
71.13028	0.6
98.42704	0.4
118.84907	0.3
123.64069	0.3
124.06811	0.3
134.89485	0.4
146.26991	0.4
156.66869	0.4
173.84656	0.3
243.60754	0.4
281.24857	100.0
282.25229	6.1
289.34039	0.4
301.05353	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64277	0.4
53.87461	0.5
55.02825	0.4
59.01379	93.4
60.01707	0.6
60.18764	0.4
61.98831	5.0
69.89638	1.5
98.01013	0.6
98.22580	0.5
99.98941	1.7
112.92326	1.6
117.00453	0.8
127.68094	0.4
138.96443	0.7
139.94214	3.6
140.84482	0.5
140.91812	2.7
140.94234	1.1
141.00461	0.7
141.93913	0.7
141.99963	43.0
154.93362	2.0
157.03555	6.0
159.01517	3.0
180.97629	0.6
181.95273	1.2
182.95465	0.6
184.01012	13.2
201.02553	100.0
202.02696	6.7
237.91185	0.5
242.00020	1.0
267.31393	0.5
282.95523	2.1
283.26416	12.8
283.95010	1.0
284.01123	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	283.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.4
58.99601	21.6
59.01377	9.7
60.68049	0.3
69.16369	1.9
71.01378	10.6
73.02934	2.5
74.31824	0.3
74.99111	0.6
77.31563	0.3
83.01387	1.3
85.02940	3.9
87.00874	11.6
88.87170	0.4
89.02441	4.2
95.01419	1.1
99.00891	0.7
101.02434	5.9
102.98595	100.0
103.98923	0.9
113.02450	4.0
119.03518	2.0
120.99691	0.4
142.15778	0.3
143.03499	0.3
159.02946	0.5
161.04549	5.5
179.05643	0.4
180.00800	0.4
198.19740	0.3
205.07147	0.8
224.38670	0.4
249.06142	4.8
255.02899	1.9
283.04929	24.2
284.02948	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.6
59.01377	100.0
71.01379	20.0
73.02953	3.9
75.00875	2.5
83.01386	3.6
85.02929	5.9
85.36902	0.9
85.83585	0.9
87.00861	1.2
89.02435	18.7
95.01371	1.3
99.00900	1.7
101.02448	20.8
102.98591	2.1
103.00375	2.7
113.02446	9.5
114.66279	1.0
119.03474	6.1
121.05061	8.5
133.17439	1.0
141.00429	1.8
143.03497	1.0
151.06134	1.0
159.03011	1.2
161.04559	13.0
179.05638	2.8
201.02539	1.2
223.08177	20.9
228.37738	1.1
283.10397	17.5
283.26318	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	283.1704
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
52.57674	0.3
55.13012	0.3
58.97155	0.2
69.75124	1.1
73.49093	0.3
74.47528	0.3
107.05027	97.1
108.05354	2.5
116.55532	0.3
157.40767	0.3
163.11281	100.0
164.11620	4.3
255.03000	4.7
256.03369	0.3
283.02600	1.8
283.17014	96.6
284.17346	8.2
294.38562	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.9
59.01379	10.1
63.02379	2.2
66.71790	1.4
69.03452	1.8
69.71413	2.6
69.71758	4.5
71.05019	2.4
80.47293	1.5
89.53706	1.7
95.04997	2.3
97.06593	4.4
98.21852	1.9
99.08176	3.5
107.01386	2.5
109.06590	1.9
111.08205	2.3
113.09726	4.8
121.02999	2.0
121.10246	7.0
122.19206	1.4
123.08154	1.7
127.07635	1.9
129.09219	5.7
139.07626	2.7
139.11296	10.2
143.07127	4.1
151.00381	3.3
152.48589	1.5
153.09201	4.6
155.10767	3.1
159.04579	1.8
160.99852	1.4
165.09225	2.7
169.01332	1.4
169.08719	2.6
171.10292	2.6
177.48549	1.5
182.03841	2.4
183.04353	3.2
183.10265	27.2
185.11848	1.9
203.18042	6.4
211.04077	1.9
221.19083	3.4
223.08281	1.7
223.13400	5.7
227.03461	2.1
245.11502	2.6
247.66939	1.5
255.02982	100.0
256.03271	9.5
265.18112	12.6
283.02484	45.2
283.08990	5.4
283.19150	82.4
283.26245	11.7
284.03024	9.6
284.19611	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	283.1915
Annotation	Koninginin C
Peak:m/z	Relative Intensity
57.03434	0.7
59.01381	2.1
63.02402	0.9
70.58901	0.8
83.05014	0.6
97.06567	0.6
98.22483	0.5
99.08138	0.5
107.01388	1.1
108.13039	0.4
111.08154	0.8
111.85589	0.4
113.09698	2.0
115.07639	1.3
121.02956	0.5
126.26362	0.5
127.07652	0.8
128.08395	0.8
139.11295	3.7
141.09229	0.8
151.00381	1.2
155.10750	3.4
157.12296	0.6
167.10767	6.5
183.04530	1.2
183.10197	1.1
185.02524	0.5
185.11838	1.8
189.31723	0.4
199.03969	0.5
201.02502	0.5
211.04105	1.0
211.20789	0.5
214.12082	1.0
221.19063	1.2
227.03490	0.8
237.18646	1.1
239.03529	1.2
239.20190	1.0
247.17032	0.8
255.02982	26.2
256.03571	4.4
265.18069	8.5
266.18457	0.5
283.02487	11.5
283.19147	100.0
284.03220	6.5
284.19504	6.2
290.48166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1914
Annotation	Koninginin C
Peak:m/z	Relative Intensity
57.03465	5.7
59.01381	9.5
63.02408	1.4
67.75829	1.1
69.03450	1.3
69.54182	3.3
83.05054	2.3
94.94046	1.1
95.37427	1.2
97.06587	4.5
99.08162	3.8
109.06571	2.1
113.09736	5.7
113.69555	1.1
121.10238	7.0
123.08155	1.6
125.09743	2.6
127.07616	1.3
129.09210	4.7
137.09738	1.6
139.11334	8.2
141.09201	5.0
143.07143	3.9
153.09212	7.8
155.01442	1.2
155.10767	2.4
165.09209	2.5
169.08711	8.2
171.10312	4.8
183.04391	1.3
183.10249	27.6
203.18044	7.1
221.19186	2.9
247.17075	2.1
255.02969	33.8
256.03275	2.5
265.18088	20.5
266.18405	2.3
283.02432	14.0
283.19150	100.0
284.03061	3.8
284.19592	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	283.1916
Annotation	Koninginin C
Peak:m/z	Relative Intensity
57.03437	3.3
58.00602	1.3
59.01384	11.4
63.02398	2.2
69.67319	3.4
83.05025	1.3
92.86383	1.1
97.06577	1.7
99.08165	4.6
100.87084	1.2
107.01384	1.8
107.27715	1.0
109.06625	2.2
111.08161	1.3
113.09729	7.5
119.08688	1.4
121.03000	1.1
121.10271	8.2
123.08125	1.1
125.09734	2.8
127.07645	1.4
129.09206	10.4
136.54816	1.0
139.07681	1.5
139.11295	6.0
141.09181	5.6
149.13313	2.4
151.00325	1.4
153.09212	11.1
155.10835	5.6
163.82109	1.2
165.09276	1.8
165.56223	1.0
169.08673	7.3
171.10280	6.2
183.04524	2.1
183.10249	34.4
203.18045	8.5
221.19098	4.1
227.03529	1.7
235.68767	1.1
247.17079	1.3
255.02985	55.8
256.03394	4.2
265.18094	19.8
283.02472	26.0
283.19147	100.0
284.02985	5.6
284.19440	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	283.1914
Annotation	Koninginin C
Peak:m/z	Relative Intensity
57.03436	2.9
59.01379	10.1
63.02379	2.2
66.71790	1.4
69.03452	1.8
69.71413	2.6
69.71758	4.5
71.05019	2.4
80.47293	1.5
89.53706	1.7
95.04997	2.3
97.06593	4.4
98.21852	1.9
99.08176	3.5
107.01386	2.5
109.06590	1.9
111.08205	2.3
113.09726	4.8
121.02999	2.0
121.10246	7.0
122.19206	1.4
123.08154	1.7
127.07635	1.9
129.09219	5.7
139.07626	2.7
139.11296	10.2
143.07127	4.1
151.00381	3.3
152.48589	1.5
153.09201	4.6
155.10767	3.1
159.04579	1.8
160.99852	1.4
165.09225	2.7
169.01332	1.4
169.08719	2.6
171.10292	2.6
177.48549	1.5
182.03841	2.4
183.04353	3.2
183.10265	27.2
185.11848	1.9
203.18042	6.4
211.04077	1.9
221.19083	3.4
223.08281	1.7
223.13400	5.7
227.03461	2.1
245.11502	2.6
247.66939	1.5
255.02982	100.0
256.03271	9.5
265.18112	12.6
283.02484	45.2
283.08990	5.4
283.19150	82.4
283.26245	11.7
284.03024	9.6
284.19611	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	284.0112
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.4
60.01724	0.7
61.98837	0.9
69.11623	2.8
97.35645	0.5
98.00999	1.0
99.98901	4.2
140.01997	1.1
141.99960	100.0
142.58513	0.4
143.00055	4.3
184.01007	33.2
185.01160	1.7
199.99031	0.7
202.02660	4.4
203.02428	0.5
242.00053	1.4
283.26373	4.0
284.01120	48.6
284.26715	0.7
285.01212	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	285.0405
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.43627	0.3
51.08043	0.3
63.02394	0.7
63.44201	0.3
65.00326	2.5
69.37234	1.1
74.02493	0.3
78.95892	0.5
83.01397	1.6
98.22055	0.8
105.03469	0.7
107.01390	5.0
108.01655	0.3
109.02930	0.4
121.02982	1.1
132.02199	0.4
133.02960	25.8
134.03297	0.8
143.05006	0.3
149.02461	3.3
151.00375	8.5
171.04506	0.5
173.06084	0.5
175.04013	5.6
176.04314	0.4
176.54456	0.3
185.06021	0.6
197.06102	0.7
198.03130	0.7
199.03999	4.3
200.04391	0.4
201.01941	1.5
202.02422	0.3
211.02257	0.3
211.04068	0.5
213.05580	0.7
215.03484	0.9
217.05046	2.9
223.04002	0.6
229.05009	0.5
239.03395	0.6
240.04227	0.4
241.05069	1.3
242.02277	0.4
243.03036	0.9
257.04285	0.5
267.03046	0.6
271.39636	0.3
285.04044	100.0
286.04388	6.3
286.07516	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0402
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.82613	0.3
57.08849	0.3
63.02390	1.2
63.80141	0.2
65.00320	3.9
69.13300	0.4
69.13811	1.4
69.14204	0.3
77.16557	0.3
83.01377	1.9
87.80199	0.2
93.03448	0.3
98.87244	0.3
105.03482	0.7
107.01388	6.1
107.54225	0.3
121.02943	1.4
132.02203	0.9
133.02956	34.1
134.03281	1.4
143.04977	0.5
147.04504	0.5
149.02432	4.5
150.02756	0.4
151.00365	10.9
152.00833	0.3
169.06578	0.3
171.04498	0.8
173.06036	0.3
175.04010	5.9
185.06154	0.5
189.05568	0.4
195.04283	0.3
196.05305	0.3
197.06073	0.5
198.03241	0.8
199.03996	4.1
201.01959	1.8
211.04002	0.4
212.04848	0.3
213.05560	0.8
215.03488	0.8
216.17709	0.3
217.05029	2.5
223.03920	0.4
229.05002	0.5
240.04176	0.3
241.05061	2.1
243.02985	1.2
257.04474	1.2
267.03018	0.5
285.04037	100.0
286.04364	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.098
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	1.4
59.01379	100.0
60.01712	0.9
66.52669	0.6
69.78572	0.8
71.01380	42.0
72.01717	0.9
72.99299	1.3
73.02966	1.1
75.43781	0.7
83.01387	1.6
83.05034	1.4
85.02943	4.8
87.00890	2.7
89.02443	64.1
90.02815	1.0
95.01403	2.5
101.02444	15.1
113.02449	17.2
119.03505	21.8
119.04319	1.5
123.04524	2.7
131.03517	2.6
139.94800	0.8
143.03505	4.0
149.04631	1.2
153.03757	0.9
157.74728	0.8
161.04576	4.3
179.05609	13.7
222.42014	0.9
225.16141	2.5
256.59012	0.7
285.10001	2.2
285.13409	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0979
Annotation	Isohomoarbutin
Peak:m/z	Relative Intensity
55.01871	1.5
57.03436	0.7
59.01376	14.1
69.03445	0.3
71.01382	9.3
72.99315	0.6
73.02945	4.2
74.19630	0.2
77.66329	0.2
80.10535	0.2
83.01384	2.7
85.02950	5.6
85.06591	0.2
86.00113	0.4
87.00876	1.2
89.02438	1.8
90.98582	0.3
93.03461	5.5
95.01385	0.9
95.05027	1.6
97.02972	0.2
99.00858	1.5
101.02444	9.1
105.03455	2.5
106.90112	0.2
107.05045	1.9
108.02193	0.3
111.00883	0.4
113.02450	3.1
119.03527	0.4
119.04996	0.6
120.99703	0.2
121.02956	6.7
123.04522	100.0
124.04847	2.3
127.30316	0.2
133.02959	0.3
137.02472	0.3
143.03497	0.4
147.04587	0.3
152.55840	0.2
153.03786	0.4
159.02992	0.5
161.04543	0.8
165.05583	1.1
174.36136	0.2
179.03485	0.3
202.98785	0.5
203.02292	0.3
280.90829	0.2
284.26724	0.7
285.04190	1.2
285.09790	32.4
286.10159	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	286.2388
Annotation	Prosopinine
Peak:m/z	Relative Intensity
52.18451	0.5
54.33418	0.5
57.06261	0.5
59.01369	1.1
62.15051	0.5
62.72856	0.5
65.00333	1.0
69.31685	1.9
69.32052	1.0
70.02977	0.8
74.06092	2.6
83.01387	0.8
89.94114	0.5
103.91266	0.5
103.93289	0.5
107.01361	2.4
115.05555	0.6
117.07097	10.2
133.02968	3.6
134.03290	5.7
135.04543	1.7
150.02759	0.7
151.00354	4.5
152.00708	1.5
164.01086	0.7
175.03923	0.8
176.04451	0.7
200.04391	1.2
201.01764	0.6
228.15132	0.6
240.23372	2.2
242.21249	1.6
244.03380	0.6
268.22870	1.0
271.04993	0.5
286.04407	36.2
286.07132	1.5
286.23883	100.0
287.04590	3.9
287.16537	10.9
287.24210	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	287.0561
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
50.01482	0.1
50.21003	0.1
57.03435	0.3
63.02394	2.6
65.00321	11.8
66.00667	0.2
77.27441	0.1
81.03434	0.2
81.27518	0.1
83.01385	5.4
91.05534	0.2
93.03475	0.2
98.21789	0.3
105.63972	0.1
107.01388	17.3
107.05032	0.6
107.49185	0.2
108.01718	0.2
108.89487	0.1
108.99303	0.3
109.02958	2.5
110.79963	0.1
117.03416	0.3
125.02444	3.4
133.02939	0.3
134.03755	1.9
135.04523	100.0
136.04849	2.8
137.02419	0.3
151.00366	84.0
152.00699	2.4
159.04529	0.3
161.02393	0.8
165.01920	0.6
169.01425	0.8
177.01955	0.6
225.05484	0.1
269.04492	0.7
287.05600	15.4
288.05939	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0561
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
63.02402	2.4
65.00323	11.6
69.27438	1.2
83.01379	5.3
89.00726	0.3
107.01387	17.1
107.05020	0.8
108.01706	0.5
109.02961	2.4
121.02880	0.3
125.02450	3.2
134.03745	2.1
135.04524	100.0
136.04855	3.2
151.00368	91.6
152.00705	2.8
153.56436	0.3
161.02452	0.8
165.01895	0.4
169.01427	0.7
177.02003	0.7
201.05684	0.4
269.04645	0.7
287.05634	17.1
288.06067	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
63.48796	20.2
69.55789	62.8
69.56115	18.1
99.00884	36.1
101.28402	17.1
101.97297	17.9
110.27296	19.1
117.00409	41.4
121.80239	18.9
125.02455	33.7
130.08720	19.6
131.01987	23.5
135.00320	17.3
135.04469	18.4
139.05931	19.3
144.99959	36.9
149.51863	18.0
227.00594	33.6
287.00955	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	287.1502
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
55.01347	0.7
56.53655	0.6
57.03450	1.2
59.01379	98.8
60.01709	0.9
71.47155	0.9
99.04526	2.5
113.29527	0.6
125.53728	0.7
135.04500	0.8
151.00290	0.8
165.12881	2.6
167.10777	1.1
207.13892	3.9
209.11804	8.4
225.14967	5.8
227.12880	51.7
228.13228	2.2
240.52565	0.8
251.12900	1.7
267.23111	0.6
269.13940	15.4
269.29553	0.7
270.14554	0.7
276.29507	0.7
287.15009	100.0
288.15448	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	287.1653
Annotation	Hynapene B
Peak:m/z	Relative Intensity
54.75135	0.6
57.03444	0.6
59.01384	5.0
64.28498	0.6
70.97603	0.6
71.05016	0.6
80.02644	0.7
81.03440	1.7
81.46114	0.5
83.05015	1.1
92.80924	0.6
92.88469	0.5
93.07097	0.5
95.05043	4.8
97.06589	0.7
106.04234	1.4
107.05019	2.2
109.06595	9.1
109.75924	0.6
111.08104	1.1
117.07178	0.8
119.08711	0.7
121.06604	3.0
121.10246	1.6
123.08145	5.5
133.10207	1.7
134.99841	0.6
135.04478	1.1
135.08156	2.4
135.11826	0.8
147.08192	3.7
147.11781	0.6
149.09715	2.6
151.00371	0.9
157.06578	0.6
158.07384	1.1
159.08156	1.2
161.09726	1.9
171.08220	0.9
173.09755	1.6
175.11264	2.3
177.09193	1.3
185.09705	0.9
186.10516	1.7
187.11229	1.0
189.12859	6.2
191.10765	1.2
201.16550	1.1
215.14401	1.9
225.16609	1.0
243.17531	30.8
244.17865	1.6
269.15329	2.8
287.04657	2.9
287.16516	100.0
288.16833	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	287.2228
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
59.01370	0.8
59.63934	0.2
65.00334	0.3
66.81975	0.2
68.98183	0.2
70.98563	0.3
97.06576	0.3
98.70134	0.2
99.08167	1.8
99.13063	0.2
105.52988	0.2
109.06583	0.5
111.08159	0.2
117.07160	0.3
121.06609	0.3
123.08141	0.3
129.09212	0.4
133.02980	0.3
134.03304	0.2
135.04527	0.7
141.12848	2.2
149.09683	0.3
151.00377	0.9
155.14417	0.7
161.09605	0.2
171.41536	0.3
178.38126	0.2
187.11340	0.2
189.12793	0.3
196.24683	0.3
221.19017	0.2
241.21703	1.0
243.17545	1.8
269.21188	3.3
285.20605	1.6
287.04547	1.6
287.16644	4.9
287.22275	100.0
288.17078	0.5
288.22632	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	288.0767
Annotation	Bouchardatine
Peak:m/z	Relative Intensity
59.01377	10.6
71.42362	0.5
72.99329	0.8
82.06609	0.4
88.04035	0.4
90.97136	1.2
117.00422	0.6
118.00535	1.4
130.08742	100.0
131.01971	0.5
131.09113	1.9
132.02216	0.6
132.98181	2.7
141.00397	0.5
141.98187	1.4
142.96626	0.6
145.00024	0.5
160.97681	1.1
172.97643	0.7
174.99252	1.2
184.97615	1.9
187.98798	0.6
202.98792	1.0
228.00664	0.8
244.04974	3.1
246.06595	2.7
272.51920	0.4
288.07669	60.9
289.08026	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	288.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06202	1.4
59.01377	4.0
61.98823	1.5
68.58176	1.5
78.80262	1.2
97.06585	3.4
106.91446	1.3
116.05861	1.3
117.05238	1.3
117.07112	32.7
118.07436	25.8
119.08667	100.0
123.08150	1.7
125.09711	21.2
126.10042	3.0
127.54687	1.4
128.90848	1.6
157.14999	1.5
223.13490	2.1
233.15471	3.6
245.11659	8.0
271.17001	2.0
288.04819	1.8
288.12213	14.6
288.16867	48.6
289.18115	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1604
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01393	0.4
62.85143	0.3
67.67200	0.4
76.90585	0.3
81.03443	1.6
92.05035	0.5
93.03452	1.3
98.22623	0.7
108.02190	0.4
108.04561	2.8
109.02953	3.5
119.08717	0.6
122.31942	0.4
133.02937	0.8
134.02483	33.9
135.03294	7.1
136.04044	34.5
137.02437	1.5
137.04413	0.6
148.04047	0.9
149.04788	2.1
156.11121	0.4
162.67999	0.3
176.03548	4.0
176.05890	0.4
177.04300	1.0
190.05115	1.0
192.04294	2.9
204.06775	0.4
288.16049	100.0
289.16119	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1081
Annotation	4,5-Dimethoxy-3,3',4'-trihydroxybibenzyl
Peak:m/z	Relative Intensity
52.56435	1.0
59.01376	1.2
67.01889	1.7
68.99821	9.3
69.03445	2.5
70.13847	2.5
73.02943	4.9
74.51369	1.1
85.02968	2.5
87.00858	1.4
93.03476	4.5
98.22494	1.5
101.02438	12.1
107.17368	1.3
109.02961	2.3
109.06598	2.5
133.02942	2.2
134.03760	2.2
135.04463	1.7
137.02434	5.5
147.04503	1.2
151.07605	2.5
158.03719	5.0
159.04524	13.1
161.02470	2.5
171.04510	2.3
172.05327	19.1
173.04562	2.0
173.06009	12.1
175.03957	2.0
175.53674	6.8
177.01926	1.6
179.03532	1.3
183.04530	3.8
186.03191	1.8
186.06877	10.1
187.04024	31.5
187.07642	46.2
188.04662	2.7
188.08022	2.7
189.05576	14.4
199.04037	4.2
200.04848	11.9
201.05565	24.8
203.07161	2.2
211.13354	5.7
213.09207	5.0
215.05130	1.8
215.07135	36.5
216.04311	3.3
216.07898	25.9
217.05064	10.8
227.03525	4.0
228.04274	4.2
229.08672	7.5
230.05917	1.7
231.06616	8.6
233.15529	1.4
239.12895	3.7
245.08183	100.0
246.08551	6.6
257.08185	28.0
259.06143	6.2
260.06940	6.0
281.10202	2.4
289.10831	66.4
289.13535	3.0
289.17990	24.2
290.11163	3.4
290.18423	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	289.181
Annotation	Deoxy phytoprostane J1
Peak:m/z	Relative Intensity
59.01385	4.7
64.54099	0.4
67.05504	0.6
68.62946	0.4
69.03455	0.5
69.36952	1.8
77.42253	0.3
81.03451	0.5
83.05017	1.1
93.03442	0.4
95.05005	2.4
97.06598	0.8
106.04227	0.6
109.06606	1.9
115.07622	0.5
119.08668	2.5
120.05843	0.5
121.06621	0.8
121.10233	0.8
123.08171	1.2
125.09723	1.0
131.05019	0.8
135.08139	0.7
137.09760	0.7
145.06638	0.5
146.07286	0.5
148.08936	0.5
149.09711	0.8
150.10498	0.6
151.11285	0.8
159.08179	0.6
160.08911	0.6
161.09702	1.2
163.07683	0.7
163.11282	12.1
165.12839	1.7
172.16695	0.4
173.09731	0.7
175.11237	0.4
177.12849	1.2
189.12852	1.1
191.10756	0.6
191.14418	15.5
192.14764	0.7
202.13652	0.5
203.14374	0.8
215.14241	0.6
217.15976	2.0
227.18042	1.1
229.16011	0.4
243.17575	0.8
245.19096	30.4
246.19421	1.9
247.17015	0.7
259.17035	0.4
271.17007	3.7
289.18085	100.0
290.18420	7.1
311.55942	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1812
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
56.54581	0.5
57.03452	2.6
57.08295	0.4
59.01376	3.9
61.57137	0.4
61.98830	1.0
65.03956	0.8
67.01887	0.7
67.05519	2.4
70.35817	0.8
70.36131	0.5
71.05005	0.6
83.05031	1.2
84.40154	0.5
89.21064	0.5
93.03474	3.7
95.05015	1.2
97.06594	0.9
106.04249	1.6
107.05042	0.7
109.06591	11.8
109.07339	0.6
111.08170	6.6
116.80421	0.5
119.05035	1.0
119.08660	2.0
121.10258	0.9
135.08168	0.7
137.09729	1.9
149.09705	0.9
151.11266	0.7
167.10797	2.0
175.11342	1.1
177.09218	1.1
177.12878	2.4
179.10789	1.9
193.12247	1.2
195.13904	7.7
203.10732	1.2
245.19081	6.1
271.17035	6.0
272.17236	0.6
289.18097	100.0
290.18430	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	290.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96734	1.2
55.28426	1.3
55.63128	1.2
61.98829	100.0
68.18755	1.2
69.38005	1.3
77.58309	1.4
154.18088	1.4
191.05609	3.4
195.22159	1.3
200.10828	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	291.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
62.04140	0.4
69.66068	0.9
69.66454	1.1
74.20606	0.4
80.96539	0.5
85.02952	2.2
86.59843	0.4
96.96033	0.6
103.50273	0.5
117.03481	4.9
117.04295	0.6
118.33208	0.4
119.05028	100.0
120.05370	2.8
121.02966	0.5
127.03978	0.7
141.68828	0.4
145.02963	16.7
146.03346	0.5
163.04012	90.9
164.04308	3.1
172.07687	1.4
248.09248	0.7
273.07648	0.7
291.08789	17.8
291.19757	1.1
292.09027	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1087
Annotation	Itoside L
Peak:m/z	Relative Intensity
55.01867	3.2
57.03441	3.4
58.29419	1.3
59.01379	100.0
61.98812	1.3
67.05531	3.9
67.46267	1.0
69.86039	2.2
69.86430	2.1
71.01384	62.6
72.99308	1.9
73.02946	15.8
83.01379	8.8
85.02950	22.1
87.00881	3.3
89.02446	48.4
95.01398	4.5
99.00879	5.1
101.01778	2.6
101.02445	52.9
111.04536	4.1
113.02452	25.3
119.03503	23.8
119.04901	1.7
119.76836	1.1
129.05573	3.3
143.03453	1.5
149.04640	1.4
159.03006	1.5
161.04573	16.1
163.62045	1.0
179.05669	2.4
247.11876	17.4
275.86404	1.1
291.10864	37.2
291.19611	4.2
292.11014	2.1
298.94791	1.2
304.17242	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34950	1.7
57.03452	1.6
59.01384	17.1
62.04952	1.4
69.03459	6.0
71.05013	2.1
86.84595	1.4
111.08127	2.3
115.07834	1.3
116.01352	1.3
117.81438	1.6
119.04986	1.9
121.02979	1.6
153.09285	1.9
165.12794	6.4
181.12347	7.3
191.10835	11.6
203.62280	1.6
209.11829	100.0
210.12218	4.3
231.10049	18.3
236.26349	1.3
291.04218	1.8
291.12305	8.5
291.16122	2.5
291.19547	11.5
292.12158	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	12-OPDA
Peak:m/z	Relative Intensity
56.23022	0.4
69.59332	0.9
72.06812	0.4
82.41198	0.4
94.64700	0.4
148.08955	1.3
150.10507	0.8
153.76633	0.4
160.63080	0.4
163.11276	1.1
165.12846	17.7
169.31184	0.5
175.11330	0.6
176.12032	0.7
191.14453	1.1
195.67326	0.4
202.29704	0.4
215.94778	0.4
247.20683	8.7
267.18939	0.4
273.18579	4.9
274.19000	0.5
291.19669	100.0
292.19992	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.4
59.01382	2.6
62.66437	0.4
66.89445	0.4
69.08955	1.1
69.09385	1.8
71.05015	5.8
83.05035	1.2
93.03448	0.4
95.05000	1.0
97.06580	2.1
109.06592	0.5
111.08159	10.5
113.09727	0.7
121.10183	0.4
123.08241	0.5
131.78070	0.5
137.09662	0.8
149.09692	0.5
167.10776	1.6
177.12845	1.6
179.10764	1.5
185.11813	0.7
193.15965	0.5
195.13925	6.2
207.13792	0.4
219.13904	0.8
223.76801	0.4
235.16991	1.0
247.20599	2.3
251.62781	0.4
273.18549	2.3
291.19647	100.0
292.19992	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
53.21147	0.8
53.39818	0.8
57.03446	1.3
59.93959	0.8
60.86977	0.8
61.48757	0.7
69.50400	4.0
78.57339	0.8
93.07101	1.6
95.89322	0.8
97.06587	2.7
118.19798	0.9
121.10241	18.7
123.08137	1.1
125.09693	6.7
141.12878	1.2
147.08115	1.8
147.68469	0.9
150.27037	0.8
160.97382	0.9
185.11844	15.4
197.11809	3.2
209.11777	2.0
211.13431	2.0
223.13463	1.2
247.20581	1.1
273.18607	2.2
291.19659	100.0
292.20023	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Etherolenic acid
Peak:m/z	Relative Intensity
59.01363	3.0
68.33010	1.3
69.21634	9.8
71.01365	2.1
76.60426	1.2
78.58788	1.4
78.67691	1.5
97.06590	97.1
97.91376	1.7
98.06891	1.9
99.08844	1.2
149.13354	1.7
183.13911	6.2
193.12326	31.4
194.12973	4.2
194.54578	1.7
211.13396	87.4
212.13705	5.0
212.82539	1.4
263.20142	3.6
273.18665	4.6
283.12772	1.7
291.19650	100.0
292.19907	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.4
59.01371	3.0
60.69958	0.8
69.45067	0.7
71.00729	1.1
83.05004	1.1
91.36369	0.8
95.05045	1.2
100.19123	0.8
111.08156	11.5
160.00856	0.9
167.10773	2.1
177.12869	2.8
179.10733	2.8
185.15991	0.9
195.13885	7.6
196.14262	1.0
206.92363	0.9
208.60168	0.7
247.20706	2.5
273.18762	2.3
291.19662	100.0
292.20071	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22918	0.7
53.09530	0.7
54.47397	0.8
55.81460	0.8
56.95914	0.8
57.03432	0.8
59.01374	2.8
66.43573	0.8
69.98997	2.3
71.01411	0.9
81.69376	0.8
83.05006	1.4
85.21566	0.8
97.06560	1.3
98.22603	0.8
106.21761	0.8
107.08643	1.3
108.27221	0.8
111.08164	1.1
121.10229	2.6
123.08183	1.1
125.09708	6.4
127.11292	3.2
151.11313	1.4
153.12830	3.4
157.79695	0.8
165.12944	0.9
175.14972	0.8
179.14391	1.0
209.59668	0.8
229.19637	2.5
247.20670	9.3
248.21358	0.8
263.20151	19.3
264.20465	2.3
273.18610	20.0
274.19037	1.4
288.70233	0.8
291.19662	100.0
292.20020	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	292.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82865	1.1
52.44670	1.1
55.01875	1.4
59.01365	5.1
63.23378	1.2
67.01890	2.5
69.42921	2.5
69.43293	3.0
70.02974	1.6
71.01366	1.8
72.00907	7.3
72.04537	5.1
72.99297	1.1
82.02984	80.7
83.01392	10.1
83.34712	1.3
84.04539	9.3
85.02959	2.0
89.02473	2.2
91.05533	6.0
94.02982	5.4
98.02480	28.2
99.00881	5.5
100.04056	12.5
101.02409	1.5
110.02461	1.6
111.03251	20.3
118.06639	6.5
119.05027	2.4
120.05383	2.4
126.02000	3.7
127.00359	10.0
131.05028	2.3
133.02980	2.9
144.08199	2.7
147.04523	40.3
148.04921	1.4
156.08240	1.5
159.08176	2.1
164.04396	2.2
164.05812	2.8
164.07173	46.8
165.07564	1.7
184.07689	25.3
185.07973	1.5
186.09261	18.1
202.08759	23.5
209.28366	1.2
230.08228	20.9
246.07716	100.0
247.08005	6.3
248.09270	3.8
274.07220	45.0
275.07571	2.4
292.08282	19.3
293.09088	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43596	3.9
59.01374	4.2
67.81216	4.0
70.97445	4.9
71.01382	5.7
95.18314	4.0
96.96009	6.4
97.41705	4.1
105.67671	3.6
136.08965	4.3
171.10289	7.8
196.14311	4.0
205.12411	5.4
220.14679	22.1
221.15459	54.0
236.10512	42.2
249.18575	9.4
275.20135	16.1
292.19925	18.5
293.17654	34.8
293.21222	100.0
297.13043	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	293.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.1
59.01373	1.2
61.79751	0.7
68.15044	0.7
71.01385	0.7
83.01418	0.7
85.02950	38.7
89.02464	0.9
97.15489	0.7
98.22629	1.2
101.02448	25.7
103.04037	1.5
119.05035	52.7
120.05392	1.7
124.10490	0.7
129.01949	100.0
130.02296	2.0
146.06137	0.9
146.53172	0.8
147.03009	21.4
152.07185	1.9
163.04016	79.5
164.04372	3.1
174.09215	0.9
206.11916	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	293.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.7
59.01368	4.0
66.05166	0.9
71.01380	2.8
71.30296	1.0
71.44937	1.3
73.02937	2.2
85.02950	44.8
89.02448	3.0
101.02448	31.6
103.04031	1.3
119.05030	61.9
120.05413	1.4
129.01949	100.0
130.02286	1.3
133.02968	4.4
141.82553	0.9
145.02977	1.0
147.03004	19.4
152.07153	2.2
163.04013	82.4
164.04358	3.4
165.75600	1.0
174.09187	1.6
177.01912	2.2
206.11819	2.5
294.09778	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	293.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37109	0.6
57.03450	4.7
59.01371	3.1
61.00442	0.6
68.91339	0.7
71.01389	2.1
85.02952	22.2
87.67885	0.6
89.02444	2.2
101.02440	17.4
103.04021	8.9
109.86764	0.7
119.05037	15.7
125.02405	0.7
129.01945	93.5
130.02249	2.2
133.02899	1.2
145.02980	1.3
147.03000	100.0
148.03334	2.0
163.04018	20.9
164.04404	1.3
206.11893	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54327	0.6
59.01380	4.0
66.10512	0.5
71.01382	5.1
73.02959	1.2
75.86208	0.5
77.11927	0.5
83.05592	0.5
85.02930	1.0
87.00876	1.5
89.02426	1.7
90.98591	0.8
93.03455	1.0
95.05040	0.6
98.21869	1.0
99.00883	0.9
101.02430	0.8
101.83002	0.6
105.03456	1.2
106.04240	1.6
109.02969	0.8
111.00862	1.1
113.02492	1.2
117.03500	0.8
121.02986	3.4
123.04456	0.5
132.02174	3.7
133.02957	47.0
134.03755	42.7
135.04549	28.9
136.04846	2.1
137.02448	18.1
137.03494	1.0
137.06041	0.8
138.02774	1.0
139.04024	6.6
145.03015	0.9
148.05333	0.7
149.02446	1.1
149.06056	0.8
150.03226	2.4
151.04088	0.6
159.04495	1.4
160.01672	2.3
161.02443	57.5
162.02850	4.8
163.03963	0.9
177.01967	1.0
177.05571	1.5
178.02719	10.5
179.03496	16.9
180.03906	1.2
181.05049	2.6
204.04234	1.0
221.04556	1.4
245.08177	1.0
247.09619	1.3
263.09189	1.6
283.59259	0.5
292.58038	0.9
293.08490	100.0
293.21161	1.8
293.58679	31.7
294.08664	2.0
314.05560	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.6
59.01377	100.0
61.12897	1.5
69.03458	10.5
71.01380	82.6
72.99309	3.3
73.02946	33.9
75.00853	2.1
81.03462	7.6
83.01377	6.2
85.02954	11.6
86.35983	2.0
87.00883	4.1
87.04528	1.6
89.02441	94.6
90.21806	1.9
90.64509	1.7
94.64114	1.4
95.01392	3.4
97.02938	23.5
99.00877	28.2
99.04473	2.7
101.02437	30.0
111.00831	1.9
113.02438	9.4
115.03995	9.0
124.74989	1.6
125.02449	41.4
126.02832	1.5
131.03502	7.4
134.03719	1.9
143.03455	4.8
149.04558	8.2
161.04514	2.2
182.94917	1.7
191.05649	8.3
233.06625	15.9
246.70584	2.0
293.08658	8.0
293.21133	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	293.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.0
57.03453	1.2
58.00573	1.6
59.01378	100.0
62.59505	0.6
63.10342	0.6
67.01918	0.7
69.03454	8.4
70.84467	0.7
71.01381	82.2
72.01700	1.1
72.99285	1.1
73.02947	12.7
75.00874	2.7
81.03456	5.4
83.01398	5.6
85.02952	8.5
87.00864	2.2
89.02444	85.9
89.23838	0.7
90.02795	0.9
90.80982	0.7
95.01381	2.5
97.02951	13.2
98.03279	0.8
99.00886	9.9
101.02448	11.2
106.49409	0.7
107.01392	1.4
109.02902	1.0
111.00876	1.3
113.02428	5.4
115.04025	5.9
119.03510	1.1
123.03149	0.6
125.02448	32.1
127.03999	1.3
131.03500	5.4
139.59242	0.6
139.99576	0.6
141.48717	0.7
143.03485	2.6
149.04568	5.5
155.03400	0.7
161.04539	1.2
173.04538	0.7
182.95665	0.7
191.05663	3.5
215.05560	0.8
233.06653	17.7
267.85590	0.9
293.08701	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	293.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96201	0.9
55.01864	3.2
57.03441	1.4
57.67019	0.9
58.00599	1.0
59.01379	100.0
69.03441	1.4
69.72250	3.6
71.01381	54.6
72.99299	1.9
73.02946	58.3
76.88622	1.0
83.01401	4.6
85.02947	21.5
87.00878	2.5
89.02445	32.0
95.01389	3.2
99.00902	3.8
101.02438	36.2
103.04005	8.9
113.01692	1.8
113.02444	23.4
119.03513	11.9
131.03506	55.8
132.03806	1.0
143.03494	2.2
159.03041	1.1
160.90602	1.0
161.04562	15.0
162.04947	1.0
173.04579	1.9
191.05678	1.0
200.02663	1.0
208.97874	1.5
292.99921	2.2
293.08798	69.9
293.11694	2.6
294.09091	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	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.8
58.00589	1.2
59.01378	47.5
71.01007	1.3
71.01382	19.8
72.99306	1.0
73.02955	1.3
83.01390	0.6
85.02949	6.0
85.06591	14.5
87.00875	0.8
89.02442	21.2
95.01381	1.3
97.02975	0.6
101.02441	15.1
101.25870	0.6
113.02434	8.6
113.06088	3.1
115.07605	1.6
119.03503	7.5
120.20689	0.7
121.64981	0.6
124.85719	0.6
127.07623	1.4
131.07138	65.4
137.55980	0.7
155.06992	0.8
161.04485	0.7
173.08192	2.4
179.05600	1.2
293.12421	100.0
294.12680	4.8
311.17413	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
59.01379	53.8
69.07718	0.7
69.08327	3.6
71.01382	21.5
73.02959	1.3
83.01376	1.7
83.32380	0.7
85.02955	5.0
85.06585	15.8
87.00869	1.3
89.02444	22.0
95.01397	2.1
98.21889	1.7
101.02446	15.3
108.53232	0.7
113.02448	8.2
113.06061	5.0
115.07641	2.5
119.03500	8.7
127.07634	1.8
131.03506	1.1
131.07138	68.8
132.07480	3.0
173.08142	1.4
179.05583	0.8
293.12436	100.0
294.12805	5.8
306.89160	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41647	0.4
55.05768	0.3
55.44041	0.3
59.01378	15.3
60.10128	0.4
65.54771	0.3
69.03458	0.8
69.71929	0.7
71.03154	0.3
79.52534	0.3
83.05008	0.4
98.22617	0.4
105.35292	0.4
133.92963	0.4
146.53047	0.3
165.12846	1.6
167.10747	0.6
167.14375	0.9
172.61905	0.4
183.13899	10.3
193.12393	2.9
200.95313	0.3
211.13391	100.0
212.13730	5.0
233.11577	14.7
234.11926	0.8
293.13739	7.3
293.21179	0.5
294.14093	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95174	0.2
71.01380	8.0
91.61030	0.2
92.21712	0.2
98.22664	0.5
111.08995	0.2
129.80847	0.2
143.85246	0.2
148.05286	1.0
164.08435	1.2
177.09210	4.1
192.11551	7.1
193.12086	0.6
205.12325	6.4
206.12714	0.4
217.08704	0.6
218.09486	1.8
220.14673	46.7
221.15440	100.0
222.15785	5.0
235.13368	0.2
236.10524	66.6
237.10910	4.9
293.17599	10.3
293.20544	0.3
294.17859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.176
Annotation	Embelin
Peak:m/z	Relative Intensity
59.01374	0.8
61.98817	0.8
70.68102	0.4
71.01395	0.3
79.95748	0.3
84.33855	0.3
95.01395	0.9
96.02168	5.5
96.96011	11.9
97.49724	0.3
110.03692	0.3
111.00885	0.9
119.94726	0.4
121.02859	0.3
121.10239	0.7
123.00894	3.4
124.01664	11.3
128.01074	0.3
144.55078	0.3
147.22438	0.3
151.00406	0.5
152.01157	9.3
152.02359	0.5
153.01860	0.6
165.01970	1.4
166.02715	2.5
171.10265	1.2
184.00136	1.2
185.89140	0.3
192.11589	0.5
193.15851	0.6
195.13925	0.6
195.17537	0.7
220.14609	2.0
221.15465	4.5
236.10529	3.4
265.15280	0.4
265.18091	6.3
265.20807	0.6
266.18427	0.5
275.16965	0.4
275.20154	2.1
293.17642	100.0
293.21191	7.4
294.17935	7.2
294.21115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00980	0.5
73.57040	0.4
79.95733	2.2
82.49700	0.4
87.00877	0.6
90.73466	0.4
92.04402	0.4
95.95201	0.4
96.02173	1.7
96.96008	89.9
104.11311	0.4
121.10241	0.5
123.00880	0.9
124.01668	4.0
132.14731	0.4
152.01184	3.0
166.02728	0.7
192.11618	0.8
193.15891	0.5
204.24812	0.5
220.14668	2.4
221.15469	7.1
222.15598	0.5
223.13455	0.5
236.10480	4.3
238.63962	0.4
265.18008	2.1
275.20236	1.0
283.90860	0.4
293.17834	100.0
293.21039	5.4
294.18103	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43495	0.7
57.03440	4.9
59.01397	1.6
69.32892	3.2
72.91769	0.7
97.06583	0.8
97.71017	0.7
99.58900	0.7
109.06599	1.0
113.09733	18.7
139.11325	2.5
167.10805	2.7
179.10785	2.6
195.13927	3.8
230.60707	0.7
235.17033	2.8
249.22192	1.8
275.20181	4.2
293.21240	100.0
294.21542	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
57.03443	2.3
59.01372	0.8
69.03449	0.3
70.05624	0.2
70.57800	0.4
71.01409	0.2
75.35184	0.2
80.02694	0.2
83.05020	0.4
85.37279	0.2
91.69673	0.2
93.03473	0.3
97.06585	1.2
108.95988	0.2
113.09725	5.8
114.48339	0.2
121.10217	0.3
123.08141	0.7
125.09718	4.0
126.10118	0.3
134.47339	0.2
139.11325	0.5
141.12851	0.8
149.09715	1.7
165.12892	0.3
167.10812	0.6
167.14403	0.4
177.09264	0.3
177.12807	0.3
179.10796	0.5
185.11827	8.3
186.12148	0.3
195.13905	1.0
197.11867	2.0
205.12219	0.4
220.14687	1.8
221.15465	4.4
236.10535	3.1
236.49504	0.2
237.11023	0.3
249.22266	1.3
251.12831	0.4
261.06009	0.2
275.20078	0.7
293.21216	100.0
294.21558	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
59.01371	1.8
69.03443	0.5
69.88188	1.3
71.01390	0.6
74.60941	0.4
83.05066	0.5
95.08664	0.6
97.06591	0.5
98.22555	0.5
106.01458	0.5
123.08153	1.1
139.11293	1.1
141.09201	0.6
151.11330	2.5
151.12309	0.4
153.09216	0.6
153.12782	1.0
167.37256	0.4
169.12372	3.3
177.16400	0.6
179.10750	0.5
181.01923	0.4
192.11496	0.4
197.11818	36.4
198.12163	1.3
220.14618	1.3
221.15378	2.3
225.11897	0.4
231.21178	1.6
236.10544	2.0
249.18443	0.5
249.22177	0.8
275.20145	24.5
276.20456	1.5
293.21216	100.0
294.21558	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93435	1.3
58.73719	1.3
59.01379	3.9
60.31892	1.1
64.20390	1.1
65.89717	1.2
69.12270	5.3
69.12671	3.2
74.51954	1.3
78.35722	1.1
86.75579	1.1
99.08161	1.5
100.85023	1.2
164.48843	1.3
209.15469	100.0
210.15807	7.1
231.21202	3.0
275.20135	63.6
276.20517	2.9
293.21194	66.6
294.21503	4.6
299.89087	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
58.39767	1.1
59.01368	3.4
69.78409	2.2
72.45364	1.0
80.98550	1.2
90.50939	1.1
121.10232	34.2
121.11065	2.4
171.10265	69.5
172.10588	1.6
177.16615	1.4
183.13763	1.1
185.11830	3.4
211.13268	1.3
224.94226	1.1
231.21164	4.8
275.20148	100.0
276.20493	4.8
293.21234	59.7
294.21515	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	6.1
59.01366	2.4
69.60402	2.5
113.09718	23.0
114.10011	1.1
121.10236	1.7
135.11819	1.4
139.11288	2.7
146.66470	0.9
167.10760	2.4
167.97250	0.9
171.10245	5.0
177.12856	2.0
179.10812	2.0
195.13898	3.9
249.22240	2.9
275.20160	5.4
293.21222	100.0
294.21527	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24598	0.5
54.74607	0.5
57.03434	1.0
61.86337	0.5
69.15870	2.7
77.55843	0.5
97.06564	0.6
98.22616	1.3
123.08189	0.7
125.09743	4.7
141.12834	1.3
149.09721	1.4
154.89375	0.5
159.56871	0.6
185.11827	9.2
197.11847	2.6
249.22258	0.9
275.20081	0.8
287.85660	0.6
293.21219	100.0
294.21518	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79884	0.5
51.33449	0.5
57.03446	0.9
59.66129	0.5
71.05041	0.5
71.06477	0.6
72.99286	0.6
73.76054	0.4
83.05023	0.8
97.73324	0.5
110.55353	0.5
113.09725	1.3
125.09719	0.6
127.11272	0.5
139.11307	2.9
153.12851	1.6
191.18030	3.8
220.14604	1.2
221.15434	2.3
224.14061	1.1
236.10480	1.6
247.20653	3.1
275.20187	1.7
277.73718	0.5
291.19766	0.7
293.21210	100.0
294.21500	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	293.2122
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
52.53873	0.5
59.01349	1.1
65.46915	0.5
79.48025	0.6
83.47446	0.6
97.51147	0.6
100.45399	0.5
111.08122	0.6
179.14359	1.2
195.13896	13.4
196.14650	3.8
205.12366	1.2
211.13301	0.6
223.13388	10.2
224.14063	1.7
227.13365	0.6
228.13649	0.7
239.12715	0.7
256.13190	3.9
275.20157	8.1
293.21222	100.0
294.21591	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	293.2487
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
59.01378	1.4
61.98829	0.9
70.92510	0.9
71.01362	1.6
96.96015	9.4
98.22248	1.1
119.94655	0.8
123.04259	0.6
124.01663	1.8
136.08951	0.6
152.01186	1.3
192.11488	1.0
193.15990	0.8
201.54131	0.7
220.14684	5.3
221.15472	10.2
222.15700	1.1
223.13480	0.7
236.10490	8.3
237.11217	0.7
242.75368	0.8
249.18602	0.9
265.18149	1.0
275.19998	1.3
293.17853	24.5
293.21323	6.4
293.24832	100.0
294.17889	1.8
294.21976	1.2
294.25137	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	294.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21846	1.3
57.03426	1.7
58.00589	2.4
59.01380	100.0
64.51557	1.5
69.75057	2.2
69.75423	4.1
71.01383	53.7
72.99303	1.6
73.02946	6.8
83.01395	2.8
85.02957	16.0
88.04043	3.2
88.19267	1.3
89.02450	47.3
95.01381	4.9
95.66290	1.2
98.22559	1.9
99.00899	1.2
101.02445	39.5
113.02448	21.0
115.00379	9.8
118.00468	1.3
119.03500	18.6
119.05025	2.4
125.00169	1.3
131.03546	1.9
132.03036	13.5
133.01450	20.2
133.05086	1.5
133.08728	2.0
135.04523	5.6
143.03496	1.5
146.06099	3.4
149.00945	1.5
161.04544	13.9
163.04044	2.8
166.32016	1.4
179.03418	2.6
179.05672	3.6
215.91188	1.4
251.11456	3.7
294.03397	2.0
295.10397	77.8
295.13928	13.6
311.62790	1.6
313.47769	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	295.0459
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
59.01372	1.1
69.65886	1.0
69.66278	0.6
71.01381	12.5
72.46821	0.3
72.99312	2.4
75.11744	0.4
87.00882	1.0
89.02444	2.3
98.21925	0.8
107.05001	0.3
109.02945	0.6
110.43810	0.4
113.78179	0.4
115.00375	38.6
116.00735	0.5
119.05098	0.4
130.25175	0.4
133.01436	100.0
134.01759	1.6
134.03738	1.0
135.04527	12.3
163.03966	0.6
179.03496	11.8
288.91153	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91074	1.0
59.01375	5.9
65.03956	7.6
67.01886	6.1
68.97157	1.1
68.98184	1.0
68.99813	19.0
69.03454	32.4
69.17400	5.2
77.71675	0.9
77.76611	0.9
81.03452	2.4
85.02935	1.6
87.00870	5.1
93.03455	31.6
95.05036	6.9
97.02952	1.4
98.21769	1.9
101.02443	29.8
106.04243	2.1
107.05035	9.7
113.02448	43.4
113.07160	1.0
119.05018	3.3
121.02968	10.2
121.06591	32.4
125.09763	1.5
127.04010	21.8
131.05048	1.2
133.02934	2.1
135.04517	2.1
137.02495	5.0
138.03293	1.1
145.06592	3.0
146.06088	1.9
147.06453	3.4
147.17154	1.1
149.02463	5.4
149.06085	6.2
152.07115	1.3
153.05574	100.0
154.05905	3.3
158.03650	1.4
161.02441	4.5
163.08728	1.1
173.06081	4.1
174.09248	2.8
175.09598	7.2
179.03479	2.6
181.05092	4.0
193.05045	13.1
205.08711	2.8
207.12274	5.6
217.05052	1.1
225.04034	14.1
261.75287	1.0
295.07938	2.9
295.10483	4.4
296.06631	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35720	0.4
55.01888	1.0
57.03447	0.9
58.00596	1.3
59.01380	77.2
60.01723	0.5
69.35378	2.1
69.35725	0.9
71.01380	35.7
71.05023	1.0
71.44095	0.4
72.01741	0.6
72.99310	1.0
73.02961	1.6
75.00890	1.1
83.01399	2.0
85.02956	7.9
87.00895	1.3
89.02447	39.1
93.03088	0.5
95.01401	2.4
95.03875	0.4
97.02953	0.6
99.00885	0.6
101.02444	20.7
102.02753	0.6
103.00310	0.5
113.02448	13.1
115.00352	0.5
115.04018	3.8
115.94143	0.5
119.02647	1.0
119.03503	17.4
131.03487	1.6
133.05074	2.2
143.03514	2.0
143.67264	0.5
147.62646	0.5
149.04567	1.3
151.53802	0.4
161.04552	1.4
179.05618	1.8
193.89648	0.5
221.06871	0.7
237.06174	1.0
250.69849	0.4
251.07663	0.6
253.09187	0.5
256.17255	0.4
295.10330	100.0
296.10703	6.0
306.17108	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57331	0.5
55.01875	2.0
57.03442	1.3
58.00600	1.0
59.01378	100.0
60.01705	1.4
61.17712	0.5
69.93112	1.3
69.93451	1.0
71.01382	48.4
72.01698	0.7
72.99311	1.3
73.02946	5.3
78.95908	1.2
83.01373	4.0
85.02946	12.0
87.00890	2.1
89.02445	48.7
90.02768	0.8
95.01388	4.4
99.00909	1.1
101.02441	32.6
113.02448	20.0
115.00394	3.0
115.03958	1.1
117.00492	0.6
119.03497	19.6
119.05051	1.8
120.87236	0.5
122.02489	0.8
125.00150	0.6
126.41541	0.5
126.98851	0.9
131.03508	1.9
133.01413	5.5
133.05113	1.6
133.08722	1.7
135.04517	1.0
143.03513	2.3
149.04596	1.4
153.03238	1.2
155.65901	0.6
159.02989	1.3
161.04549	9.1
163.03986	3.2
169.36253	0.8
179.03517	0.6
179.05624	3.5
221.06551	0.7
295.10376	85.0
295.13950	10.6
296.10849	4.1
296.13751	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60566	0.8
55.01881	1.1
57.03445	0.9
58.00611	1.3
59.01379	100.0
60.01714	0.9
69.46278	2.9
71.01378	37.0
72.99294	1.3
73.02938	1.9
78.31213	0.6
83.01393	2.3
85.02946	6.8
89.02440	41.7
91.74348	0.7
95.01400	2.9
98.21906	1.4
99.00874	0.8
101.02441	25.5
113.02451	16.3
113.28619	0.7
115.00404	1.2
119.03495	20.2
131.03563	1.3
133.01428	2.5
133.05083	1.4
143.03555	1.7
149.04584	1.0
161.04543	2.6
170.14470	0.7
179.05612	2.3
213.12054	0.9
278.07187	0.7
295.10321	93.0
296.10666	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	295.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44468	11.4
59.01363	23.7
64.71220	14.5
73.17603	11.0
76.87904	11.8
83.20864	13.7
86.68828	11.3
89.42613	11.0
97.06604	15.4
99.52654	11.5
106.37669	12.1
109.06599	18.1
122.66805	11.9
161.02434	29.8
176.18053	12.5
179.03503	17.8
209.11728	100.0
221.04356	12.1
227.12791	61.0
277.14352	33.2
295.15353	15.9
296.06036	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	295.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87133	0.5
54.89370	0.5
59.01378	18.2
61.98836	0.9
71.46217	0.5
72.65856	0.6
82.68235	0.6
86.31245	0.5
99.92570	1.2
123.09073	0.7
154.28290	0.5
167.14417	0.9
183.13940	3.3
187.19208	0.5
195.13905	9.5
196.14293	0.8
206.45335	0.5
207.06972	1.2
211.13405	1.1
213.14958	100.0
214.15315	4.4
220.80589	0.6
233.11610	2.1
235.13158	8.3
249.05753	0.7
278.06180	1.1
279.12137	1.9
295.10196	0.8
295.15411	13.2
295.18839	1.3
296.06952	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87133	0.5
54.89370	0.5
59.01378	18.2
61.98836	0.9
71.46217	0.5
72.65856	0.6
82.68235	0.6
86.31245	0.5
99.92570	1.2
123.09073	0.7
154.28290	0.5
167.14417	0.9
183.13940	3.3
187.19208	0.5
195.13905	9.5
196.14293	0.8
206.45335	0.5
207.06972	1.2
211.13405	1.1
213.14958	100.0
214.15315	4.4
220.80589	0.6
233.11610	2.1
235.13158	8.3
249.05753	0.7
278.06180	1.1
279.12137	1.9
295.10196	0.8
295.15411	13.2
295.18839	1.3
296.06952	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1549
Annotation	alhpa-tocopheronic acid
Peak:m/z	Relative Intensity
55.54195	1.5
57.03459	7.2
59.01379	39.7
61.12751	1.6
61.98829	4.4
65.22966	1.5
65.66449	1.5
66.81474	1.5
69.03456	3.8
69.62328	3.6
69.62708	3.8
79.02669	1.5
80.02704	2.2
81.03450	7.4
83.05024	39.6
84.02170	3.5
84.05339	1.5
85.02941	20.6
95.05031	7.4
96.96004	4.7
97.02967	1.5
97.06604	9.0
99.04608	1.7
104.57918	1.5
107.05048	9.4
107.08646	1.8
109.06596	9.5
110.03760	3.0
111.04477	2.0
113.06071	2.0
121.02982	2.9
121.06573	1.9
123.04512	2.3
123.08143	3.6
124.02012	1.5
125.02381	2.7
125.06107	2.8
125.09732	2.8
125.45959	1.5
127.07639	2.7
135.04512	1.8
135.08168	18.3
137.09705	3.3
139.07570	2.8
147.04514	5.9
150.35114	1.6
153.09241	9.9
161.06033	3.7
162.06851	7.8
163.07652	3.7
164.08389	2.2
169.08704	5.0
171.10249	7.0
176.08478	1.9
179.10764	8.2
181.08705	100.0
182.09090	1.8
183.13858	2.5
197.08200	3.8
205.12314	3.0
208.07407	5.2
213.14914	14.9
215.14450	12.3
217.12402	2.8
223.08861	1.8
226.08525	2.9
233.15450	29.2
234.15738	2.6
235.13097	1.9
237.14877	2.0
241.12199	2.1
249.14835	1.6
251.16481	5.1
259.13324	9.4
277.14468	76.5
277.17935	8.8
278.14682	4.3
293.69818	1.8
295.12457	2.5
295.15488	15.7
295.19110	13.8
296.15918	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	295.1916
Annotation	5,6-Dihydrocineromycin B
Peak:m/z	Relative Intensity
57.03440	3.2
59.01376	5.0
69.30522	7.4
69.79209	1.5
93.04633	1.7
96.96072	1.4
97.06598	30.9
97.13667	1.4
98.21893	3.8
123.08212	3.5
151.11205	1.8
154.26483	1.3
169.12354	7.6
171.10277	2.6
178.99901	1.5
181.12373	3.3
183.13885	1.7
197.11829	100.0
198.12167	4.4
199.13371	4.7
211.13373	11.5
227.12874	5.3
235.13216	1.7
246.83627	1.8
249.18559	5.2
251.16557	4.4
253.09195	1.8
259.17123	2.7
275.19586	1.6
277.18088	31.0
295.19131	76.8
296.19467	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
59.01359	1.6
65.10544	0.8
67.66673	0.9
69.10477	6.2
72.68380	0.9
74.04967	1.0
104.66650	1.0
105.79697	1.0
107.51583	1.3
114.36205	0.9
127.11329	1.0
146.08176	1.0
171.10272	35.8
195.13930	3.2
277.21741	51.6
278.22131	2.5
295.22778	100.0
296.23108	5.8
315.98792	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
51.36272	0.7
51.63507	0.8
55.36356	0.9
56.94109	0.7
57.03431	0.9
59.01366	1.6
66.07221	0.7
69.99431	0.9
69.99748	1.8
123.15342	0.8
125.09717	0.9
127.36496	0.8
128.35341	0.8
155.14491	1.1
171.10255	41.6
172.10571	1.2
183.10260	2.2
195.13908	2.1
222.68903	0.8
223.89174	0.8
251.23723	1.3
253.16745	0.7
277.21719	49.8
278.22040	3.2
295.22754	100.0
296.23160	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	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
50.16817	0.6
52.01404	0.6
53.11387	0.8
59.01372	1.8
61.98844	1.5
71.77322	0.7
81.27933	0.6
83.05008	0.8
85.03020	0.6
97.06612	0.8
98.22613	1.8
98.95614	1.5
103.71149	0.7
113.94627	0.7
116.92812	0.8
119.42997	0.6
119.94684	1.4
120.56868	0.8
121.94388	0.7
127.11301	0.9
140.83757	0.7
141.12851	9.4
155.14369	3.2
166.63206	0.8
195.13821	1.0
200.27940	0.7
249.22147	8.6
277.21616	2.2
295.22757	100.0
296.23151	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	295.2276
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
52.09656	0.7
57.03436	0.9
59.01370	2.0
62.05758	0.6
70.77789	1.0
113.09723	2.2
179.14403	0.7
195.13887	17.8
196.14301	1.0
258.17245	0.6
277.21713	15.8
295.22769	100.0
296.23114	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	295.2275
Annotation	13(R)-HODE
Peak:m/z	Relative Intensity
55.94491	0.6
57.03448	0.8
59.01370	2.7
69.87949	2.2
71.01404	0.7
84.55095	0.9
86.02190	0.6
90.66233	0.7
98.21825	1.2
113.09673	1.1
137.47754	0.6
177.12878	0.7
179.14421	1.0
195.13887	35.1
196.14246	0.9
277.21713	37.1
278.08179	0.7
278.22092	3.4
295.22769	100.0
296.23059	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	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
56.80876	0.7
57.03453	0.9
59.01377	1.7
60.75764	0.7
62.03869	0.7
70.49828	1.0
97.06615	0.9
99.08108	0.7
113.09734	3.0
179.14409	1.4
181.12367	1.0
183.13863	3.2
191.01648	0.7
195.13899	22.7
196.14279	1.7
277.21741	20.8
278.22079	1.6
295.22760	100.0
296.23145	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	297.0472
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60545	1.1
59.01376	2.7
60.54763	1.1
61.95713	1.1
61.98830	1.2
67.64117	1.2
67.98893	1.1
69.13475	6.8
74.99077	3.9
82.73921	1.1
89.04281	6.5
93.00143	2.0
119.94724	1.3
121.94381	1.4
134.89430	1.2
149.00960	46.6
150.00993	1.9
172.88597	1.3
183.01234	6.1
206.99660	1.1
214.89635	1.4
223.02856	4.7
225.64156	1.4
264.98468	25.0
265.98511	1.5
281.01776	5.5
282.99445	2.7
296.23120	8.0
297.04715	100.0
297.15207	12.6
297.24326	19.9
298.04770	11.4
299.02689	11.6
315.05804	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	297.0471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
59.24781	0.7
68.55336	0.7
69.25311	4.1
72.52177	0.8
74.99074	4.9
82.55695	0.7
85.72316	0.7
89.04288	7.1
93.00126	1.8
97.71396	0.9
98.22610	1.6
121.06595	19.9
149.00963	39.2
150.00960	1.1
150.98912	0.8
163.11292	17.5
163.12646	1.2
183.01253	4.6
206.99677	0.8
208.97629	1.1
223.02818	5.0
225.00739	1.0
264.98434	21.6
265.98355	2.0
279.23297	1.2
281.01608	4.3
282.99576	2.6
296.23196	1.8
297.04715	100.0
297.15329	8.6
297.18610	17.0
297.24252	17.4
298.04715	10.1
298.18948	1.3
299.02603	7.1
301.00565	1.1
315.05923	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.9
66.50681	0.8
67.01901	4.4
68.99820	9.1
69.03454	46.5
69.34900	3.6
71.01392	3.6
72.99297	2.7
77.03962	1.3
81.03444	1.9
93.03459	2.1
95.05016	5.0
95.37364	0.7
97.02956	1.3
97.93762	0.7
99.04515	2.6
101.02435	9.5
105.03455	2.1
107.05029	4.0
108.02177	8.4
109.02943	2.2
109.06586	0.8
121.02959	4.7
121.06598	0.9
121.41167	0.9
123.04527	30.5
124.04839	1.1
133.02928	1.0
133.06595	4.0
135.04475	1.2
135.15501	0.7
149.02431	1.9
151.04007	100.0
152.04353	3.3
153.05579	5.4
165.05527	1.0
173.06079	2.7
178.81650	0.8
183.06613	9.8
195.06593	3.4
209.04594	2.1
221.08179	9.4
222.08507	0.7
227.05569	4.2
297.04044	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.0
67.01889	3.9
68.99819	8.0
69.03456	45.5
69.12438	5.3
71.01385	4.6
72.99322	2.5
81.03439	1.9
92.32190	0.8
93.03465	2.6
94.11504	0.8
95.05020	4.8
96.95971	1.0
97.02893	1.1
99.04523	1.7
101.02458	9.6
102.09389	0.8
105.03453	2.9
105.07146	1.0
107.05027	4.3
108.02180	9.5
109.02968	4.3
116.42950	0.8
121.02972	5.1
121.06590	1.1
122.03756	0.8
123.04531	34.1
123.08152	1.1
124.04849	1.2
133.02898	1.1
133.06554	3.8
133.07437	0.9
134.03763	1.0
135.04498	0.9
147.04503	0.9
149.02448	2.2
151.04010	100.0
152.04344	3.6
153.05565	3.9
173.04608	2.1
173.06032	1.9
183.06641	9.2
189.16956	0.8
190.74028	0.9
195.06648	3.3
209.04594	3.2
221.08163	8.1
222.08469	1.0
227.05634	3.8
261.42419	0.8
265.07138	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1707
Annotation	15-keto-2,3,4,5-tetranor-PGF2alpha
Peak:m/z	Relative Intensity
51.58120	1.1
52.54769	0.9
57.03443	8.1
59.01378	24.7
60.23830	1.0
69.03448	3.2
69.71539	3.5
71.01381	10.7
71.05005	4.3
72.02148	1.2
73.02948	1.7
80.02685	1.6
81.01586	1.1
81.03460	3.7
81.07040	1.3
83.05023	24.4
84.02167	4.5
85.02941	2.3
87.04521	2.0
95.05032	4.8
97.02946	1.1
97.06591	16.0
99.04497	1.6
99.08166	6.8
107.05040	1.4
109.06612	8.4
110.03736	2.5
111.04504	1.4
111.08161	2.4
113.09731	6.2
115.07655	1.7
117.03446	1.4
119.08643	2.2
125.06087	1.9
125.09718	4.3
127.07662	21.1
135.04549	3.4
135.08144	9.0
137.09712	4.2
139.07645	9.5
141.09152	1.7
143.07143	9.3
145.02945	1.3
151.00366	1.7
151.07658	2.9
153.09218	9.2
155.10735	3.3
157.07399	1.6
157.08694	25.0
163.07640	3.8
163.11272	1.8
165.09242	1.3
169.08685	27.0
178.09961	4.0
181.08704	67.8
181.12257	7.8
182.09026	3.4
183.10263	2.7
191.10884	1.1
193.12384	1.2
207.14017	1.6
208.07434	2.4
209.08211	2.0
209.11842	8.2
210.08955	38.9
211.09274	1.0
211.13377	3.1
217.15945	11.9
219.13864	1.8
223.13307	1.4
227.09216	1.4
228.09988	6.5
230.86755	1.0
235.17038	12.1
261.14917	16.3
275.17114	1.0
279.15997	100.0
280.16220	6.9
296.56339	1.5
297.17062	55.6
298.17505	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24028	0.8
53.00764	0.8
59.01366	3.5
69.03458	1.4
69.15956	4.7
81.03447	2.5
81.52185	0.8
83.05024	1.9
85.02947	1.2
86.14993	0.8
97.06616	1.0
99.55656	0.8
109.06590	1.1
110.03741	100.0
111.04063	2.2
125.06087	30.9
125.07011	1.8
125.09647	1.2
126.06418	1.0
127.11280	1.4
135.04541	1.6
137.09721	4.0
153.09247	1.0
171.10271	61.0
172.10529	2.0
203.10754	1.2
203.14449	1.8
211.13370	3.8
219.13815	1.4
221.11795	1.4
229.12303	1.4
235.13316	2.1
247.13420	6.5
251.16640	1.3
261.14850	2.2
264.13626	11.8
265.13956	1.3
279.16025	29.5
279.19131	1.6
280.16254	2.6
297.17325	1.9
297.20435	1.1
297.24359	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2072
Annotation	4alpha-Hydroxy-5beta-acetoxy-epi-cubenol
Peak:m/z	Relative Intensity
51.49394	0.7
56.78151	0.6
57.03438	1.1
59.01387	4.6
66.34474	0.8
70.19603	1.9
75.19975	0.7
78.73170	0.8
81.03480	0.9
82.99281	0.9
83.05000	1.0
85.06591	2.8
94.10633	0.7
97.06591	1.7
99.08162	4.2
101.02399	0.8
115.07646	8.1
139.11322	0.8
151.11232	0.9
167.10754	1.1
169.12372	4.8
171.10263	1.2
179.74638	0.7
181.12338	5.4
183.13899	3.3
193.12306	2.6
197.11844	16.0
199.13367	5.6
211.13399	23.7
212.13661	1.0
221.42357	0.8
249.08366	0.8
261.18555	2.1
279.19650	18.7
280.20129	1.7
297.20709	100.0
298.21140	7.3
308.74597	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45914	1.6
57.03454	1.9
59.01377	5.1
85.06603	2.8
99.08144	4.1
115.07661	8.8
125.09705	2.1
140.05212	1.5
169.12392	3.3
171.10280	7.0
181.12370	4.6
183.13771	1.6
184.37198	1.6
185.11879	2.3
195.13922	4.3
197.11847	10.3
199.13336	4.4
211.13391	24.0
220.38759	1.8
238.10907	1.4
261.11560	2.0
261.18616	1.8
274.12640	1.3
279.19672	15.3
297.20728	100.0
297.99564	1.4
298.21182	6.6
301.65643	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	297.2436
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
58.40305	0.6
59.01374	1.4
69.21522	2.4
72.95760	0.6
75.00890	0.5
79.38207	0.5
89.51649	0.5
127.11290	1.8
153.12892	0.8
166.02234	0.5
171.10254	10.0
173.69016	0.5
183.01216	2.5
279.23322	10.0
280.23584	1.3
295.22580	0.6
297.15359	4.8
297.24341	100.0
298.24725	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	297.2436
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
59.01393	1.2
61.98825	0.7
69.20113	2.8
69.20520	1.0
74.99070	1.3
84.53651	0.6
89.04272	1.1
98.21864	1.4
105.39002	0.7
107.42772	0.6
111.26468	0.7
121.06587	0.8
139.11310	1.9
147.67241	0.6
149.00970	5.3
155.14468	1.3
169.27440	0.6
182.12103	0.6
183.01143	3.5
183.13924	0.6
223.02780	0.9
229.26627	0.6
253.25385	2.3
264.98416	3.1
279.23343	1.1
281.01596	1.1
297.04718	12.3
297.15430	7.2
297.24341	100.0
298.04706	3.6
298.24692	9.0
299.02661	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2434
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
52.28895	0.6
59.01371	1.6
61.98816	1.0
69.62666	0.6
70.71896	1.2
72.99314	0.7
116.92827	0.9
124.72600	0.6
183.01201	3.3
215.95898	1.1
249.22279	1.1
251.23792	31.0
252.24182	2.2
279.23306	1.3
297.15302	7.3
297.24332	100.0
298.24631	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01377	0.9
116.77206	0.4
121.21074	0.4
131.13715	0.5
137.09741	0.9
141.12851	1.3
150.44002	0.4
155.10791	12.6
183.01215	0.9
202.28157	0.5
261.22339	0.6
279.23279	14.6
280.23831	0.9
295.22751	1.1
297.15323	1.6
297.24341	100.0
298.24698	7.8
303.31842	0.5
304.57022	0.5
305.79306	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
50.80402	0.6
54.73416	0.7
57.75420	0.6
59.01359	2.5
65.19743	0.6
67.53997	0.6
70.70721	0.9
88.88219	0.7
98.21999	0.7
107.45109	0.7
109.15249	0.6
166.41202	0.6
169.12354	6.8
183.01237	7.3
183.13910	2.4
184.02000	1.2
197.15407	0.7
201.66034	0.6
204.03067	0.7
210.64883	0.7
231.76897	0.7
279.23291	12.2
280.23639	1.1
295.22992	1.1
297.15344	15.3
297.24347	100.0
298.15634	1.5
298.24689	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	297.2435
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01375	1.0
61.98823	0.5
69.91174	0.4
70.68498	0.4
70.68845	0.6
72.69214	0.5
78.18398	0.4
90.98530	0.5
96.85106	0.4
108.91659	0.4
112.73816	0.4
116.97190	0.6
127.11301	1.1
127.27388	0.5
141.12825	0.7
143.97412	0.4
149.00984	0.6
153.12863	0.6
155.10745	2.7
160.23434	0.4
171.10292	4.1
172.10443	0.5
183.01247	1.0
253.25275	0.7
261.22293	0.5
279.23279	7.4
297.04745	0.8
297.15414	3.1
297.24326	100.0
298.24701	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	298.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22398	0.6
59.01380	100.0
60.01724	1.7
68.81565	0.6
70.52861	0.6
71.01426	0.7
71.42766	0.6
72.00925	0.7
75.60641	0.6
79.88690	0.6
85.02967	0.8
93.03458	13.3
97.02953	1.4
101.02469	0.8
113.02509	0.7
119.55109	0.6
123.04582	0.9
135.03059	1.1
135.04543	0.8
136.01793	0.8
136.04073	1.1
137.02449	47.7
147.04640	0.7
163.94408	0.7
164.07126	0.8
174.99223	5.6
178.08792	0.7
180.06717	1.0
185.60381	0.6
211.06215	0.9
217.00298	19.0
250.98856	0.6
268.08243	3.3
298.01712	2.6
298.09366	5.4
299.07755	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	299.0559
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
54.69061	0.2
59.01378	0.3
63.02393	1.2
65.00339	0.8
68.99817	0.5
77.68358	0.2
83.01396	1.5
94.00621	0.3
101.02452	1.1
107.01381	3.2
119.03481	0.7
123.00838	0.2
123.04578	0.2
132.02188	0.5
133.02977	0.8
134.03726	1.6
140.35312	0.3
142.51888	0.2
148.01646	0.6
149.99600	0.7
151.00375	3.6
169.01433	0.2
172.05136	0.2
174.03203	0.2
183.04546	0.7
184.05402	0.3
186.03261	0.2
187.04016	0.6
188.04762	0.3
195.04639	0.2
199.04008	0.6
200.04839	0.8
211.04004	1.4
212.04659	0.4
225.11403	0.4
227.03461	2.3
228.04190	0.3
239.03470	0.7
255.02943	1.8
256.03757	6.2
283.02505	1.0
284.03259	100.0
285.03586	6.4
298.10181	0.2
299.05597	53.8
299.18381	0.6
300.05920	3.4
309.13242	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.056
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
57.84332	0.4
63.02380	1.0
65.00305	0.7
65.57333	0.5
65.66005	0.4
69.35764	1.8
83.01347	1.2
98.22647	0.8
107.01384	2.0
134.03702	1.4
149.99535	0.6
151.00385	3.8
152.26820	0.4
153.22940	0.5
183.04222	0.5
184.06863	0.4
188.04732	0.5
199.04027	0.9
200.04813	0.8
211.03903	0.9
217.00365	0.5
225.90945	0.5
227.03529	1.6
228.04265	0.7
239.03383	0.8
239.64987	0.4
255.02982	1.5
256.03760	9.5
257.04004	0.7
283.02521	1.2
284.03259	100.0
285.03558	6.6
299.05603	55.8
300.05911	3.4
306.84467	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0771
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
55.56744	0.2
59.01373	0.3
69.59238	0.3
69.59561	0.3
81.03443	0.3
93.03458	1.1
96.53571	0.2
98.21913	0.4
108.00180	0.2
108.02171	0.6
109.02940	0.5
111.93071	0.2
136.01665	2.0
137.02440	100.0
138.02782	2.8
176.03889	0.2
213.39209	0.2
217.00247	0.3
222.05766	0.2
299.07712	8.9
300.08136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69088	1.7
59.01073	2.5
59.01376	43.3
62.03516	1.7
62.72584	1.4
71.01376	1.8
71.26882	2.3
73.02953	1.5
74.99123	1.9
93.03456	49.7
119.15189	1.5
128.88135	1.6
131.47116	1.6
135.04469	1.8
137.02444	100.0
174.99277	11.8
179.05771	1.8
201.02609	3.9
217.00282	47.8
217.10686	2.1
253.09395	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1863
Annotation	7-Hydroxy-10-methoxydeacetyldihydrobotrydial
Peak:m/z	Relative Intensity
57.03433	1.1
59.01377	74.0
69.35542	1.1
70.07574	3.1
76.08500	1.2
85.02927	2.1
87.04523	3.7
92.71429	1.0
119.03722	1.0
129.05528	1.6
139.11252	1.2
165.12848	1.9
167.14407	55.1
168.14738	3.0
169.15926	1.6
174.99223	5.8
211.13390	100.0
212.13760	5.3
213.14931	6.5
217.00287	15.8
227.16479	8.7
229.14438	79.7
230.14777	3.4
237.18585	6.6
239.16524	30.2
240.16801	1.7
255.15927	3.0
257.17575	92.4
258.17883	7.2
263.16409	5.3
281.17599	36.9
282.17844	2.3
284.03314	2.2
299.18646	32.5
300.18924	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1864
Annotation	Achaetolide
Peak:m/z	Relative Intensity
57.03452	2.0
58.00582	0.3
58.90068	0.3
59.01385	2.9
61.68470	0.3
69.03453	1.5
69.25996	0.6
69.26367	0.5
71.01385	1.5
71.05016	0.5
73.02930	0.4
83.05025	1.4
85.02950	5.6
95.05033	2.3
97.02957	0.8
97.06590	10.3
98.06881	0.4
98.22621	0.6
99.08166	3.9
107.04976	0.3
107.50803	0.3
109.06599	1.6
110.03738	0.7
111.04506	0.4
111.08131	0.4
113.09747	0.4
121.06602	1.0
121.10267	0.4
125.06094	0.9
127.07613	0.5
127.11277	2.0
127.20370	0.3
135.08163	0.7
137.06100	0.4
137.09724	2.3
139.07654	1.0
139.11279	3.8
143.07143	9.2
147.08189	0.8
149.09711	3.5
153.09283	0.4
155.10791	5.2
156.11139	0.3
157.08696	1.1
157.31482	0.3
165.09207	2.0
167.10730	0.8
169.08752	0.7
171.10284	0.4
175.07643	0.4
179.03465	0.3
181.08704	1.8
183.10252	19.9
184.10606	0.9
193.08685	2.3
199.09694	0.3
201.11316	10.2
202.11679	0.6
204.87045	0.3
207.10156	0.3
211.09738	1.4
217.00369	0.3
219.17517	0.8
263.16470	3.1
264.16376	0.3
277.78574	0.3
281.17615	1.0
282.01291	0.3
299.18628	100.0
300.18973	6.9
300.22061	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.7
61.97790	0.3
68.01402	0.5
69.35246	1.2
71.01385	0.9
74.58995	0.2
84.48799	0.3
87.86285	0.2
89.02455	0.4
98.22684	0.3
101.02434	0.3
113.02448	0.4
120.05370	0.3
122.02506	0.3
123.03276	9.4
136.05338	0.7
137.02438	0.7
137.04765	0.7
137.05710	0.8
138.05614	100.0
139.05962	2.7
164.88757	0.3
165.04337	0.3
167.05858	0.4
180.06677	1.8
204.95047	0.3
258.40717	0.3
285.06531	0.4
300.08096	0.5
300.11005	6.0
300.14441	0.5
300.15662	0.3
301.11084	0.6
301.21680	0.9
305.80548	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78312	0.5
59.01376	88.5
60.01704	0.5
60.17920	0.5
69.18613	0.5
70.46756	1.1
71.01357	0.6
87.00874	0.6
93.11352	0.5
98.09223	0.4
98.22514	0.8
99.00968	0.8
108.21005	0.6
115.02512	12.0
116.98743	0.6
117.00430	8.1
132.98198	0.7
137.02473	0.9
137.91579	0.5
138.01981	0.5
138.03203	0.9
139.04033	2.2
157.03560	2.3
159.01486	100.0
160.01625	5.9
168.04251	0.5
170.96065	0.7
196.97565	1.1
201.02536	22.0
202.02701	1.0
217.00487	1.1
259.01587	3.2
272.60385	0.6
301.02637	48.6
301.21674	5.2
302.02814	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	301.0355
Annotation	AC1L9BFA
Peak:m/z	Relative Intensity
58.57804	0.7
59.01370	2.6
63.02390	5.9
65.00330	6.1
67.01884	0.7
69.10799	2.6
69.11236	2.2
71.01358	1.4
71.06194	0.7
83.01378	5.7
83.93625	0.6
93.03452	1.2
95.01377	1.5
96.95901	0.7
105.03461	1.9
106.26128	0.6
107.01385	9.7
107.04952	0.7
115.05537	0.9
117.03447	1.5
119.01395	1.0
119.05019	1.7
119.23786	0.7
120.08212	1.4
121.02937	3.2
123.00896	0.9
125.02467	2.1
133.02916	1.7
134.03775	0.7
135.04474	1.2
141.03513	0.8
143.05009	3.0
145.02960	1.6
145.06564	0.9
146.03595	0.8
147.00893	1.0
147.04555	4.7
149.02443	7.2
150.66978	0.6
151.00366	15.6
155.05038	1.6
157.03003	0.8
157.06595	1.7
159.04515	2.0
161.02434	4.2
161.06102	1.7
163.00421	1.4
164.01140	2.1
167.05008	0.9
169.02975	0.7
171.04497	3.5
173.02422	1.6
173.04538	2.2
173.06027	0.7
177.01944	1.6
182.03706	0.7
183.04509	4.8
183.13972	0.8
184.05295	0.7
185.06062	3.0
187.04021	3.9
189.05560	3.4
191.03416	0.7
199.03960	1.4
201.01933	0.9
211.04034	3.8
211.13382	9.2
213.01921	0.8
213.05592	2.1
215.03485	3.2
220.08687	1.0
223.13330	0.8
227.03513	13.9
227.05661	1.3
228.03773	0.9
229.05009	4.9
239.03458	1.6
240.04251	1.5
245.04515	1.1
255.02980	62.7
256.03415	5.4
257.04544	39.2
257.13046	1.1
258.04843	1.8
273.04065	1.6
283.02472	60.7
283.13409	1.1
284.03165	14.8
285.03683	1.2
301.03540	100.0
301.15027	2.7
301.22104	7.4
302.03772	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52060	0.1
53.57645	0.2
54.31824	0.1
54.68679	0.1
55.84433	0.1
57.03445	0.5
59.01404	0.1
63.02403	0.7
65.00322	5.9
69.21081	0.5
69.21489	0.2
70.94296	0.1
71.64286	0.1
80.02673	1.6
83.01381	4.3
90.65428	0.1
107.01389	9.1
108.02174	10.6
109.02480	0.2
120.02167	0.9
121.02919	0.2
123.00910	0.6
124.01633	1.1
125.02446	5.7
133.02966	0.7
134.03738	11.7
135.04546	2.5
136.01654	13.3
137.02029	0.1
147.04567	0.2
148.01978	0.2
148.05254	0.2
149.06059	1.7
151.00365	20.9
152.01056	0.9
157.03052	0.2
158.03717	2.3
160.01677	0.6
161.02460	0.3
164.01147	31.2
165.01463	1.3
169.01459	0.2
171.04575	0.3
171.99600	0.1
172.05280	0.8
173.02475	0.7
173.06062	1.2
174.01686	0.3
174.03215	6.4
175.03909	1.0
176.04800	0.6
177.01952	1.5
185.02432	0.9
185.06102	0.3
186.06799	0.4
187.04013	0.9
188.04828	1.0
189.05475	0.2
191.07164	0.6
196.00122	4.1
196.05219	0.4
197.06090	0.2
198.03192	0.7
198.06686	0.2
199.03989	6.9
200.01158	0.4
200.04774	2.9
201.01924	5.9
201.05203	0.2
202.02667	1.3
203.03558	0.2
209.11855	0.5
213.05597	1.3
214.06357	2.3
215.03508	3.1
215.06927	0.9
216.04222	1.4
217.05023	1.3
218.05685	0.3
224.04823	0.6
225.05545	0.4
227.03535	2.0
230.05844	0.6
233.08186	0.7
239.07108	0.4
240.04236	1.8
241.05042	3.0
241.07330	0.3
242.05824	10.0
243.03098	0.3
243.06184	0.6
244.03700	0.3
257.04694	0.6
257.08163	4.5
258.05258	2.4
258.08160	0.3
259.05933	0.5
267.03189	0.1
268.03745	1.5
269.04492	0.2
283.06161	2.1
285.03989	2.5
286.04800	11.3
287.05075	0.8
301.07147	100.0
302.07483	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	301.0716
Annotation	Hesperetin
Peak:m/z	Relative Intensity
51.59181	0.4
57.03436	0.7
59.01361	0.4
60.09319	0.4
63.02391	1.9
65.00003	0.7
65.00319	6.1
80.02663	2.6
83.01389	5.1
96.02045	0.4
105.18825	0.4
107.01392	11.0
108.02176	16.0
120.02171	0.7
121.02898	0.5
122.50645	0.4
123.00891	1.0
124.01662	1.4
125.02455	7.2
133.02928	0.5
134.03738	14.8
134.75520	0.4
135.04581	3.0
136.01662	20.1
137.02051	0.6
149.06128	2.4
151.00369	26.5
152.01048	1.8
158.03712	3.5
160.01646	1.0
164.01151	46.5
165.01515	2.2
171.04482	0.6
172.05360	1.1
173.02402	0.7
173.06020	1.0
174.03209	7.7
174.05562	0.4
175.03949	1.5
176.04752	0.7
177.01942	2.5
185.02441	1.4
185.06071	0.6
186.06911	0.5
187.04066	1.0
188.04831	0.9
191.07056	0.8
196.00139	4.9
198.03197	1.1
199.04005	8.7
200.04762	3.9
201.01947	8.7
202.02631	2.0
213.05537	1.7
214.06329	3.7
215.03468	3.8
215.07088	1.1
216.04231	1.5
217.04913	1.3
224.04785	0.9
225.05527	0.5
227.03542	2.8
230.05795	0.6
233.08235	0.5
240.04222	2.1
241.05026	4.4
242.05840	13.4
243.03032	0.6
244.03741	0.8
257.04443	1.0
257.08209	4.8
258.05295	4.2
258.08182	0.8
268.03824	2.4
283.06198	2.0
285.03995	4.0
286.04791	12.9
287.05273	0.8
301.07159	100.0
302.07520	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	301.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70382	1.4
59.01373	6.4
69.57863	2.3
69.58194	2.2
71.01375	3.8
73.02921	1.9
85.02923	2.4
93.03460	5.3
95.01370	4.9
101.02424	4.1
113.02414	2.5
121.02969	9.9
123.00884	100.0
124.01617	5.1
137.02403	5.4
138.03224	67.3
139.04012	99.2
140.04311	2.2
149.02440	3.5
151.04008	1.9
161.04552	4.5
166.02759	2.3
178.02675	1.7
181.05080	5.7
186.01175	1.3
193.05083	3.8
215.52121	1.6
239.42441	1.4
301.09433	6.5
301.21747	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36762	7.4
50.84207	7.2
53.89528	7.8
59.01365	14.2
61.98833	15.5
74.46129	8.0
101.39905	7.7
114.29980	8.6
151.00336	11.8
154.36908	9.2
167.10762	12.6
200.48738	7.8
257.04630	7.7
265.18134	88.8
301.03683	11.5
301.07053	35.3
301.21741	100.0
302.10144	8.4
314.02890	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	301.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37266	0.6
55.16818	0.6
55.88346	0.6
58.90887	0.7
59.01147	0.6
59.01382	6.3
63.02400	3.4
65.00323	3.1
71.01012	1.5
71.01385	20.6
78.95973	0.7
83.01392	2.1
83.04987	0.7
89.02448	2.4
93.03469	0.9
98.22646	1.8
107.01409	4.5
107.02015	0.8
119.04980	0.7
121.02976	1.1
125.02431	1.1
134.03825	1.1
143.05028	1.4
147.04504	2.6
149.02493	3.3
151.00368	7.5
159.04504	1.1
161.06041	0.9
164.01170	0.9
165.12869	2.9
167.14493	1.0
169.06606	0.9
171.04533	1.5
177.01810	0.9
183.04536	1.8
183.13925	6.6
185.05969	0.9
187.04001	1.0
189.05577	1.7
193.12325	1.3
211.04018	2.4
211.13403	100.0
212.13727	4.4
213.05574	1.3
213.14995	2.0
215.03506	2.7
226.86929	0.8
227.03510	7.2
227.16397	0.6
229.05080	1.9
239.03429	1.0
240.04224	1.6
241.14452	11.4
243.02945	1.2
253.14397	1.9
255.03001	25.8
255.15982	3.0
256.03430	2.5
257.04568	20.3
258.05048	2.1
265.14453	5.1
269.04453	1.0
271.15677	0.9
273.04202	0.9
283.02472	26.6
283.15738	1.3
284.03094	6.2
285.03961	2.4
286.04620	4.7
301.03528	43.0
301.07129	10.8
301.14398	1.0
301.21927	11.3
302.04178	3.4
302.07190	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1661
Annotation	Viridamine
Peak:m/z	Relative Intensity
59.96738	0.2
60.97496	0.8
70.98661	0.3
74.99090	0.8
87.82621	0.2
104.39198	0.2
118.96281	0.7
120.97839	0.2
134.99400	5.0
135.99445	0.2
136.97357	1.6
141.07426	0.5
143.05331	1.3
159.08473	1.3
161.06407	5.1
162.06709	0.2
170.64275	0.2
189.13487	0.2
190.52887	0.2
201.04123	0.4
203.05647	3.3
205.03534	0.6
205.56747	0.2
215.05719	0.8
217.07202	83.1
218.07344	5.3
235.08168	0.4
261.06262	0.2
283.11908	0.3
285.13480	34.3
286.13663	3.3
301.16583	100.0
302.16760	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	301.202
Annotation	Koninginin G
Peak:m/z	Relative Intensity
50.60942	0.4
57.03454	1.9
65.04635	0.3
69.03425	0.5
71.04980	0.4
72.18882	0.3
83.01405	0.3
86.10001	0.3
94.38567	0.3
97.06580	1.2
99.08150	1.0
107.01383	0.5
108.02173	0.7
113.09701	1.4
125.09680	1.9
127.11306	0.5
134.03688	0.9
135.04428	0.5
136.01637	1.0
139.11293	0.8
143.52744	0.3
151.00352	1.2
164.01169	2.0
173.85533	0.3
174.94759	0.4
177.02007	0.4
183.13969	0.5
187.09703	1.0
196.00101	0.5
199.04001	0.5
211.20543	0.5
221.19107	30.1
222.19392	2.2
229.08582	0.7
237.18645	0.7
239.20142	3.5
240.97050	0.3
242.05882	0.8
255.02998	0.6
257.04382	0.5
257.21170	1.4
265.18085	18.9
266.18372	1.2
283.19159	17.5
284.19617	1.7
286.04483	0.4
301.03769	0.6
301.07175	6.5
301.20172	100.0
302.20563	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	301.2021
Annotation	Koninginin G
Peak:m/z	Relative Intensity
50.76621	0.4
57.03444	1.3
59.01369	1.5
65.00331	0.5
69.03458	0.9
70.29929	1.1
71.05003	0.6
83.05031	1.1
84.05376	0.5
85.02956	0.9
95.05013	1.1
97.06598	6.8
99.08160	9.5
107.01378	0.6
109.06618	0.7
113.09764	0.4
127.11295	2.6
130.02898	0.5
137.09715	1.7
139.07619	0.8
139.11299	5.3
143.07138	1.5
147.04463	0.7
149.02455	0.5
151.00345	1.1
155.10776	5.6
157.12355	0.5
161.02437	0.5
165.09207	1.0
181.08775	1.2
183.10271	28.7
184.10596	0.9
187.04329	0.4
201.11313	12.0
202.11632	0.9
227.03380	0.6
255.02946	2.7
256.03448	0.8
257.04654	2.1
265.18054	1.7
283.02591	2.5
283.19162	0.8
284.03000	0.9
301.03558	5.7
301.20181	100.0
302.20486	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	303.1966
Annotation	17beta-Hydroxy-5alpha-androstan-3,6-dione
Peak:m/z	Relative Intensity
56.14491	2.7
57.58701	3.0
59.01379	5.7
61.37663	2.4
61.98800	2.8
69.03447	3.5
71.05012	2.9
71.14626	3.1
76.52234	2.5
83.05025	8.5
97.06573	18.1
99.08154	4.4
120.14700	2.7
123.08131	6.6
125.09757	7.6
151.11320	3.7
170.33638	3.5
203.08357	2.9
205.12320	2.9
211.46307	2.9
218.99748	2.7
241.19722	4.1
259.17328	2.9
259.20630	6.8
259.49472	3.0
275.20111	14.3
285.18555	23.5
303.19662	100.0
304.20001	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	304.0011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	28.8
60.01712	3.3
61.01820	0.8
61.98830	100.0
82.90295	0.3
115.02521	0.7
116.02604	0.7
117.00475	0.5
117.02246	1.7
117.95544	0.7
117.97366	0.5
118.00614	0.6
118.02618	0.4
118.97600	0.4
119.00189	1.5
119.95229	2.2
126.66910	0.3
134.02551	0.3
134.97069	1.7
141.71742	0.4
158.03792	0.4
159.01506	4.0
159.02809	0.4
159.03365	0.4
159.96606	2.2
160.01625	12.3
160.96732	0.4
161.01212	15.0
161.11333	0.3
161.96280	7.0
161.98952	20.4
162.01575	2.9
162.96509	3.8
162.99110	0.8
176.98102	0.8
202.02692	3.2
203.02290	2.8
203.99995	4.5
204.02879	0.7
220.00308	0.3
261.99097	0.6
262.01608	0.9
303.23486	0.3
303.95023	0.5
304.00089	12.5
304.02792	14.7
304.99875	1.0
305.03052	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	304.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10242	77.7
79.76013	71.3
85.32469	100.0
93.96803	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70435	0.4
55.01546	0.3
56.22767	0.4
58.02974	41.8
59.01334	0.4
69.67035	1.5
76.04885	0.3
77.12638	0.3
80.92847	0.3
98.91555	0.3
141.01671	0.4
151.11266	0.4
168.13931	100.0
169.14297	4.0
195.13853	0.4
198.25047	0.3
212.12878	1.4
227.36102	0.4
287.16559	0.6
295.06296	0.5
304.19305	1.1
305.17426	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32875	0.5
59.01356	0.5
68.99570	69.3
71.45839	0.5
72.99303	0.5
75.20823	0.4
112.98563	100.0
120.99677	0.7
133.01454	0.9
136.43489	0.4
200.94269	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85717	0.5
59.01379	36.9
69.49023	2.3
71.01384	1.3
74.02472	1.0
79.95728	2.3
85.02958	0.8
93.03452	0.5
96.96010	100.0
97.06583	1.3
99.05640	0.6
101.02434	1.2
113.02485	0.7
119.03611	0.4
128.03523	2.5
133.02953	4.7
135.04510	1.7
135.08232	0.9
138.18260	0.6
141.77890	0.5
143.04642	2.2
147.08136	1.6
160.00725	0.9
165.09201	0.5
177.01926	0.9
181.12531	0.5
210.08934	0.6
213.49443	0.5
219.00291	0.5
225.11317	22.6
226.11598	1.0
254.07913	0.7
272.08951	0.8
294.33060	0.5
305.06995	83.9
306.07425	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	305.1143
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
59.01376	0.5
65.99849	0.5
71.01384	0.4
71.43398	0.3
72.08015	0.2
82.02985	3.6
83.04992	0.2
86.56380	0.2
88.16768	0.3
92.05053	0.4
94.02978	1.0
96.04559	6.1
97.02940	0.5
110.06165	0.5
120.04550	1.2
122.02505	0.4
122.02799	0.4
122.03739	4.6
122.06152	1.8
126.79327	0.3
133.02939	0.7
135.04521	0.6
136.04047	1.4
138.05612	100.0
139.05965	3.0
149.04863	0.6
150.05591	0.6
161.04808	0.5
174.05632	0.7
188.07153	0.8
190.08699	1.0
202.08807	0.6
216.10307	0.9
217.06297	0.3
218.06920	2.5
218.11832	1.6
233.09297	5.3
234.09718	0.3
244.09853	0.6
245.09492	0.7
261.12454	9.7
262.12851	0.7
273.45416	0.3
287.10400	1.1
297.16922	0.3
305.11438	16.3
306.11719	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48103	1.1
57.03438	1.6
58.00588	1.2
59.01377	100.0
60.01691	1.3
69.03452	1.3
71.01382	46.4
73.02934	3.5
81.07095	23.6
83.01382	4.2
85.02943	14.5
87.00871	2.3
89.02441	49.6
93.03448	1.5
95.01371	4.6
96.96003	5.0
101.02442	30.0
105.03433	2.0
107.05057	1.2
109.02924	1.7
109.83076	1.1
113.02442	18.6
119.03501	23.3
121.02927	2.0
122.03789	1.2
123.04509	2.0
125.06069	6.8
131.03499	1.8
132.02101	1.8
133.02960	18.4
134.03703	1.7
135.04521	31.4
139.04022	3.7
143.03526	2.5
149.02454	7.1
149.04572	1.8
150.03223	3.4
161.04553	3.7
177.01921	3.3
178.02672	1.8
179.03455	3.2
179.05669	3.2
223.17181	1.3
233.04500	1.3
243.06662	1.1
261.07700	1.9
261.13348	1.6
305.06982	15.6
305.12390	54.2
305.15503	2.0
306.07159	2.4
306.12790	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	305.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48103	1.1
57.03438	1.6
58.00588	1.2
59.01377	100.0
60.01691	1.3
69.03452	1.3
71.01382	46.4
73.02934	3.5
81.07095	23.6
83.01382	4.2
85.02943	14.5
87.00871	2.3
89.02441	49.6
93.03448	1.5
95.01371	4.6
96.96003	5.0
101.02442	30.0
105.03433	2.0
107.05057	1.2
109.02924	1.7
109.83076	1.1
113.02442	18.6
119.03501	23.3
121.02927	2.0
122.03789	1.2
123.04509	2.0
125.06069	6.8
131.03499	1.8
132.02101	1.8
133.02960	18.4
134.03703	1.7
135.04521	31.4
139.04022	3.7
143.03526	2.5
149.02454	7.1
149.04572	1.8
150.03223	3.4
161.04553	3.7
177.01921	3.3
178.02672	1.8
179.03455	3.2
179.05669	3.2
223.17181	1.3
233.04500	1.3
243.06662	1.1
261.07700	1.9
261.13348	1.6
305.06982	15.6
305.12390	54.2
305.15503	2.0
306.07159	2.4
306.12790	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	305.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35547	0.4
57.03442	1.5
59.01378	19.5
61.98819	0.5
62.82108	0.4
65.03953	0.6
68.99802	2.2
69.03451	4.6
70.03415	1.3
71.05011	4.1
74.68580	0.5
80.02671	1.2
81.03445	1.0
83.05015	1.1
85.06571	0.6
93.03440	1.3
95.05012	3.3
97.06591	1.8
101.02435	2.1
102.04747	0.7
105.07089	0.8
106.04230	0.7
107.05034	0.8
107.08659	0.7
107.24033	0.5
109.06593	2.9
111.04516	1.5
117.07100	22.3
118.07449	1.0
119.04986	0.9
121.06610	1.0
123.04498	0.5
123.08177	6.7
125.09731	7.3
133.06557	0.6
135.08167	8.8
137.09709	0.7
141.09161	0.6
149.02441	0.5
149.09737	1.3
151.11314	0.9
153.09174	0.7
161.06163	0.7
163.11360	0.6
165.09186	0.8
167.10783	4.4
177.12846	1.8
179.10785	2.0
179.14409	4.9
185.11870	2.8
189.12848	2.0
195.13904	13.5
195.15697	0.7
196.14243	0.6
205.12318	11.2
205.15845	1.0
206.12665	0.7
209.11823	1.3
217.16017	0.6
223.13385	100.0
224.13742	5.5
233.11722	0.6
235.09676	1.4
235.13402	0.8
243.17590	3.0
245.11546	9.1
246.11772	0.8
249.14952	1.6
259.16873	0.7
261.15039	0.7
261.18372	1.0
269.15518	1.1
277.18015	2.7
287.16507	42.3
288.16840	4.1
305.08340	0.8
305.13684	11.6
305.17557	25.7
306.14264	0.9
306.17935	2.3
317.35062	0.6
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
57.03434	7.1
59.01375	7.6
65.03958	1.8
67.05527	1.8
69.67224	3.5
69.67576	4.1
71.05007	5.1
79.05525	2.2
83.05038	3.2
92.97041	1.7
93.03460	4.5
93.07088	4.8
95.05008	3.7
97.06572	8.0
99.04520	24.4
105.14882	1.7
106.04247	3.3
107.08652	2.0
109.06622	3.7
118.96852	1.7
119.05030	3.9
120.05845	3.9
123.08138	10.8
125.06099	4.0
125.09725	15.6
133.06607	6.4
134.26996	1.6
135.08163	80.7
135.09204	3.8
136.05234	2.1
136.08507	3.9
149.09695	3.8
161.13316	2.6
185.11835	21.5
189.12840	4.9
193.12425	3.0
197.51595	1.6
203.10822	3.2
205.12280	1.7
209.11795	3.9
211.13408	2.7
219.13797	2.2
221.11794	6.0
223.13383	2.8
243.17517	19.8
247.13409	7.5
249.14972	10.8
261.15015	9.9
261.18564	2.4
263.16498	6.5
269.15472	3.1
287.16519	51.8
288.16901	3.9
305.17575	100.0
306.17825	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	305.1758
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
51.64906	1.6
57.03442	15.1
58.61091	1.6
59.01382	13.6
60.39895	1.3
61.76470	1.3
61.98844	2.0
69.03454	1.7
69.08349	4.8
69.08753	4.0
71.05005	2.4
82.46951	1.6
83.05029	10.4
93.03464	3.6
97.06588	5.1
98.21844	2.3
99.08131	1.9
100.56838	1.3
106.04199	1.7
107.05000	1.4
107.08648	1.9
119.05035	2.2
123.08163	3.4
125.09731	7.4
128.89079	1.4
135.08154	6.0
137.09756	3.6
141.01695	5.5
149.09694	2.4
151.11287	2.8
153.09218	1.5
167.10838	1.5
189.12825	3.5
207.13892	3.4
209.11827	3.9
211.13457	3.9
219.13921	1.7
219.17365	3.3
225.16344	2.2
235.17006	4.8
243.17506	14.6
245.15442	6.3
247.13368	19.3
261.18591	6.1
263.16507	19.5
277.18091	12.7
287.16525	57.2
288.16870	4.3
305.17569	100.0
306.17935	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	305.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92361	1.2
59.01369	7.4
60.27723	1.2
65.89628	1.4
69.86116	2.2
69.86446	2.5
71.96494	1.3
75.74905	1.3
81.03467	3.6
83.05021	3.8
93.03446	4.9
95.01390	4.4
95.05029	4.6
97.06604	8.5
99.08141	1.7
102.02361	1.3
107.05017	4.5
109.02948	6.6
109.06568	2.3
110.03725	2.3
121.02948	1.9
121.06582	2.2
121.10223	1.6
122.03715	1.5
123.04534	1.9
123.08160	3.8
125.02444	2.7
125.06104	13.1
125.09713	1.8
127.07634	7.7
133.06613	1.5
133.10126	1.5
135.04523	2.8
135.08150	3.9
136.05269	2.8
138.06842	3.7
147.04532	1.5
147.08253	1.8
149.06091	2.0
149.09738	6.5
151.11305	5.4
153.09201	1.9
161.09750	1.5
164.08423	3.1
167.10825	1.7
168.52374	1.7
175.11255	2.7
177.09177	1.9
177.12813	2.1
179.10788	2.0
189.12862	4.9
193.12302	3.2
195.13901	22.1
215.14668	1.5
231.13878	4.4
233.19141	2.5
243.17529	42.4
244.17751	2.4
249.92184	1.3
250.12111	14.2
259.17160	5.1
261.18610	7.4
265.10815	2.1
269.15283	1.7
271.49661	1.6
277.17999	1.7
287.16544	47.4
288.16797	4.5
305.17578	100.0
306.17868	7.6
306.21027	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	305.1759
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
52.12830	0.7
55.01871	0.9
57.03454	2.0
59.01373	2.3
62.40409	0.7
65.03960	2.9
69.03429	0.9
69.71542	3.0
71.05025	7.1
77.08929	0.8
79.05537	11.2
80.02676	0.9
81.03452	0.8
81.98016	0.7
83.05065	1.1
93.03472	1.7
95.05016	1.9
97.06593	17.1
98.22711	0.9
106.04250	9.3
107.05027	3.3
109.06602	2.5
117.07079	0.9
119.05006	1.1
120.05782	5.3
121.06583	3.5
123.08154	5.8
125.09718	16.6
133.06575	1.5
135.08165	100.0
136.08501	4.0
137.09752	2.5
150.55339	0.8
151.11259	2.2
162.06821	0.9
163.11278	1.5
177.12811	1.0
185.11818	2.6
189.12779	1.8
205.16020	5.0
207.10323	1.7
209.11882	2.2
211.13458	1.1
221.11862	2.3
231.13881	2.3
233.11903	1.8
235.78784	0.8
249.14952	45.6
250.15402	2.5
262.20764	0.8
263.16412	1.8
269.15433	1.0
277.18103	2.1
287.16556	9.3
305.17581	80.1
306.17899	7.0
322.46021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.176
Annotation	Corrin
Peak:m/z	Relative Intensity
55.16462	1.0
55.85851	0.9
57.03458	1.6
59.01372	2.4
62.39606	0.9
69.03450	0.9
69.80559	3.3
71.05018	32.4
81.03454	3.0
83.05009	1.7
83.37824	0.9
93.03474	2.6
95.05036	14.7
95.71250	1.0
103.58897	1.1
106.04233	1.9
107.05042	2.8
109.06580	13.4
110.03714	1.4
111.04546	2.6
111.08126	1.1
119.04980	1.5
121.06594	5.5
122.03731	2.5
123.08199	2.4
125.09715	1.9
127.07653	3.0
135.04558	1.2
135.08162	9.1
136.05266	1.2
139.07690	1.0
147.04504	1.9
147.08156	3.2
150.06848	2.1
161.06123	2.0
165.09215	10.6
173.09688	1.2
175.11380	1.6
185.11847	2.1
189.12837	13.2
205.15970	7.2
231.13872	1.9
233.11763	7.3
241.16000	1.2
243.17503	9.1
245.15526	1.2
249.14977	10.5
261.18546	2.1
263.16418	1.7
269.15442	3.2
287.13120	1.6
287.16528	76.4
288.16870	5.7
305.17578	100.0
306.17914	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	305.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30584	0.9
59.01373	3.9
62.09788	0.8
71.05016	46.2
80.02678	1.5
81.03456	4.4
81.39983	0.9
83.05029	1.6
93.03468	2.7
95.05029	21.5
97.06598	1.8
98.03792	1.3
106.04251	2.9
107.05030	2.1
109.06582	17.2
110.03749	2.0
111.04531	2.6
119.04996	1.2
120.05783	1.2
121.06569	6.9
121.10207	1.0
123.08188	1.3
127.07640	2.5
135.08148	3.4
139.07655	1.3
145.46486	0.9
147.04506	1.6
147.08119	3.1
147.11957	1.1
149.06084	1.9
149.09715	1.2
150.06848	1.7
161.06075	2.8
161.09676	1.1
164.08415	1.3
165.09198	13.4
166.09554	1.0
174.80971	1.0
179.14442	1.5
187.11299	1.3
189.12848	16.0
190.10016	1.0
203.14421	2.1
205.15962	10.4
214.91624	0.9
215.10730	1.0
229.81326	1.0
231.13925	3.5
233.11858	9.8
243.17542	11.1
249.14958	15.4
261.18619	3.1
263.16364	1.5
269.15408	2.9
287.16525	93.0
288.16907	8.2
289.14362	1.4
305.17563	100.0
306.17828	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	305.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.0
69.63519	8.8
71.05014	38.6
78.05909	2.1
78.88565	2.1
81.03448	3.4
83.04997	2.9
95.05032	15.4
99.06841	2.3
109.06605	13.3
117.07118	11.1
121.06604	3.8
125.09705	3.5
127.07688	2.5
135.08141	8.6
140.17342	2.3
147.04486	2.7
147.08173	3.1
149.06073	3.1
150.06882	3.4
161.06099	2.8
165.09190	14.3
180.49107	2.2
189.12849	16.8
205.16003	9.7
209.11835	2.7
231.13828	2.8
233.11765	10.2
243.17502	10.2
249.15001	13.3
255.18427	2.6
287.16528	96.8
288.16843	10.1
305.17569	100.0
306.17841	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	305.2485
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
50.14899	0.8
59.01384	1.3
70.68564	1.2
236.31088	0.8
305.24863	100.0
306.25259	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	306.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58435	0.9
61.98829	100.0
69.10456	1.8
69.10857	4.1
75.66307	0.8
133.02928	1.6
134.03662	1.2
135.04465	2.2
153.11285	0.9
178.02635	1.0
179.03511	1.5
289.18140	1.2
321.67096	1.1
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
59.01373	8.7
61.98816	5.2
69.63933	12.7
71.01377	5.4
85.52120	4.1
97.78754	3.7
133.02957	10.0
135.04521	94.7
138.43802	3.4
144.04550	76.2
161.02473	5.3
161.04456	3.6
179.03488	100.0
181.26520	4.2
307.08145	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31032	0.4
59.01379	49.1
69.80642	1.3
71.01385	5.9
79.95744	0.9
85.02979	0.9
89.02447	5.3
96.96010	98.1
98.95587	3.0
98.96466	0.6
101.02442	3.8
113.02477	2.6
119.03488	2.8
119.31496	0.5
123.08167	1.2
133.02951	1.0
135.04530	5.7
167.10760	2.1
169.11560	0.5
174.01662	1.2
179.03484	7.6
205.99052	0.5
225.11383	0.9
227.12891	24.1
228.13170	1.5
231.27414	0.5
307.08585	100.0
307.13641	6.5
308.08820	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	307.0856
Annotation	CHEBI:91169
Peak:m/z	Relative Intensity
59.01379	35.7
79.95737	0.8
96.96013	100.0
120.59662	0.4
164.68312	0.4
167.10789	2.0
220.28908	0.5
227.12894	23.7
228.13313	1.2
307.08572	54.8
308.08884	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	307.0858
Annotation	CHEBI:91170
Peak:m/z	Relative Intensity
59.01386	2.5
62.76863	0.5
66.46818	0.5
69.03458	0.6
71.05037	0.5
79.95735	36.5
80.02679	1.7
80.96519	44.4
81.03450	1.1
83.05029	4.4
84.02141	1.1
89.40498	0.5
95.29053	0.5
95.95262	0.8
96.96014	28.9
97.02912	0.6
97.06660	0.6
100.04072	1.2
109.06587	1.9
110.72565	0.5
115.03968	0.5
115.05109	1.4
119.05022	0.9
120.08172	1.0
133.02942	0.7
135.04539	2.1
135.08167	1.0
135.18471	0.5
142.41858	0.5
143.03496	2.0
146.06102	0.8
161.04562	5.0
163.11298	4.7
163.97887	0.6
165.12842	1.5
178.08795	2.5
179.03499	2.0
181.12309	1.0
185.87027	0.5
191.10907	0.6
199.09665	1.0
207.10258	3.7
209.11836	68.2
210.12135	4.1
225.11319	1.1
227.12898	16.1
228.13211	0.9
235.10938	0.8
282.44553	0.5
307.08566	100.0
308.08911	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96703	0.5
60.97486	0.3
69.43908	1.1
74.98680	0.4
74.99073	5.7
85.21434	0.3
89.82634	0.3
91.02217	3.2
93.00140	1.8
98.22591	0.3
106.64754	0.2
112.31000	0.2
119.50765	0.3
123.71669	0.2
132.01056	0.3
135.04491	0.7
143.05295	0.4
149.00972	2.0
159.08475	7.1
161.06415	2.0
174.25604	0.2
175.05553	0.2
179.03502	0.8
192.98151	0.8
206.99701	0.9
208.99458	0.4
209.01259	2.5
217.07185	0.5
223.02829	51.6
224.02879	4.0
241.03981	0.6
257.61020	0.2
259.50662	0.2
275.06067	0.5
289.07437	1.8
289.18106	0.7
291.09091	100.0
292.09210	10.9
307.08621	0.4
307.12192	3.9
307.19171	1.3
307.22299	0.3
308.12183	0.6
309.10056	1.1
320.80185	0.3
325.57327	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30649	0.3
58.92989	0.3
59.01348	0.3
59.96701	0.5
60.97489	0.4
74.99072	6.3
78.15192	0.3
91.02213	2.6
93.00121	1.4
132.32143	0.3
133.67581	0.3
135.04500	1.4
141.78778	0.3
143.05292	0.4
149.00983	2.1
159.08478	6.6
161.06400	1.7
179.03490	1.0
192.98083	0.8
206.99702	1.4
209.01253	2.2
210.01324	0.4
217.07130	0.6
223.02827	48.3
224.02901	4.0
241.03938	0.5
252.80348	0.3
289.07571	1.9
291.09088	100.0
292.09180	10.4
307.12146	4.3
307.19125	0.7
308.12311	0.6
309.10114	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1398
Annotation	NSC-224070
Peak:m/z	Relative Intensity
52.74007	0.5
55.01873	0.8
55.52435	0.6
57.03449	1.0
59.01381	61.8
60.01710	0.8
69.30651	3.0
69.30965	0.7
71.01383	21.3
72.92436	0.6
73.02944	1.7
83.01402	1.6
85.02948	6.0
87.00877	1.4
88.04051	2.2
89.02447	18.6
95.01428	1.8
96.96014	14.0
99.08158	2.4
101.02446	14.9
113.02456	6.4
114.01981	0.7
115.00368	1.1
119.03522	6.5
120.99658	2.3
127.07660	6.8
132.03027	7.6
133.02960	1.8
134.03738	2.2
135.04527	40.0
136.04865	0.6
143.03499	0.7
145.08701	12.3
161.02473	3.0
179.03500	39.7
180.03819	1.9
209.04471	0.6
227.12857	3.3
289.07227	1.3
307.08731	20.2
307.13998	100.0
308.08249	2.1
308.14343	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	307.1551
Annotation	(5S)-5-Hydroxylasiodiplodin
Peak:m/z	Relative Intensity
57.03453	1.3
59.01369	0.4
59.21724	0.3
61.98825	0.9
64.07339	0.2
69.03444	0.6
70.16373	0.7
71.01377	0.6
74.99090	0.3
75.00861	0.6
81.03450	0.8
83.01385	0.9
83.05032	0.5
85.02948	0.7
95.05022	0.4
96.96004	0.6
97.02962	0.5
101.64764	0.2
108.02177	2.0
109.02962	2.7
110.03730	0.4
111.04532	0.7
113.02467	2.0
121.02957	1.0
123.04487	0.8
124.01653	1.0
125.02444	0.3
134.03745	1.9
135.04504	1.0
136.01634	0.4
136.05321	0.3
136.99214	0.5
137.02455	1.2
138.03224	2.6
149.09766	0.3
163.11194	0.3
164.04822	0.4
168.04271	0.4
171.08202	0.3
174.03218	0.7
179.03484	0.7
181.12265	0.3
189.09227	2.1
190.09544	0.3
200.03165	0.3
201.09184	0.8
207.10246	1.0
225.11331	1.0
241.12349	1.4
247.09473	0.8
249.14888	1.1
259.13373	1.2
261.11661	0.4
277.11664	0.4
277.14453	5.3
278.14642	0.4
279.06552	0.4
289.10788	1.5
289.14069	0.4
289.18045	0.6
307.12314	4.2
307.15491	100.0
308.12833	0.3
308.15833	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.6
59.01374	4.1
69.03468	2.2
69.47740	6.8
71.01382	2.3
71.05014	1.9
72.35738	1.7
80.02686	5.9
83.05016	6.2
84.02152	1.4
88.73486	1.6
93.03487	3.7
93.07112	2.6
95.05034	4.4
97.06599	6.9
99.04519	1.6
106.04248	6.2
107.08678	3.2
109.06586	4.5
111.08192	1.9
121.06615	9.1
123.04547	1.9
123.08167	5.8
125.09716	11.1
127.07639	4.1
135.04550	3.0
135.08167	39.1
137.09756	7.6
139.11304	2.3
141.12814	1.8
149.09695	2.5
151.11281	6.1
153.09227	10.9
155.10806	4.2
162.71925	1.5
163.11314	1.8
165.12845	1.8
167.10739	2.1
171.10271	57.3
172.10654	2.1
177.12814	2.4
177.24788	1.5
179.03522	4.0
179.10719	1.7
181.12370	3.5
185.11836	28.9
191.10805	2.4
191.14442	4.8
193.12318	4.2
199.13373	5.4
205.12468	2.6
209.11859	8.6
211.13339	13.4
212.10446	3.3
212.13573	1.7
224.10455	1.6
233.15613	1.7
245.19125	19.7
261.18634	4.2
263.20114	6.9
271.16931	4.4
279.19626	5.6
289.18118	53.4
290.18542	2.5
295.08359	2.0
307.19138	100.0
308.19461	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	307.1918
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
57.03458	1.8
59.01379	6.7
65.27126	1.5
66.15097	1.7
66.89722	1.9
71.46059	2.3
97.06580	1.8
109.06595	3.6
109.75218	1.7
119.66819	1.8
121.06615	2.3
123.61982	1.6
125.09741	3.6
127.07638	1.7
135.04512	10.7
137.06078	1.9
137.09711	2.7
138.06850	1.9
139.28108	1.8
149.09683	1.6
151.11311	3.2
153.09259	5.3
155.10750	9.1
163.11298	2.0
166.09885	1.7
167.10767	2.2
169.12398	2.9
177.12842	3.9
179.03484	11.7
181.12306	2.4
191.14418	5.9
197.11945	2.9
209.11844	5.3
224.10751	1.7
225.11310	1.8
239.09322	3.8
245.19048	27.4
246.19420	3.8
258.84988	1.5
263.20224	9.4
279.19501	1.8
289.18140	37.7
289.21463	1.9
290.18619	2.3
307.08273	2.1
307.19196	100.0
307.22742	10.0
308.19519	7.0
309.36462	1.8
329.43466	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	5.5
57.03445	5.8
62.69915	2.9
65.03963	58.7
69.03441	2.9
70.57664	5.9
71.05015	42.9
71.69870	3.0
75.56702	2.6
83.05010	6.8
92.58310	3.0
93.03455	8.3
97.06586	70.8
106.15319	3.4
117.07081	7.3
119.08675	18.3
121.06596	96.0
123.08199	4.5
125.09721	50.2
135.08171	38.0
137.09708	4.1
138.06828	3.8
163.11246	3.7
171.10240	29.0
185.11829	85.3
186.12155	7.5
191.14413	2.9
209.11821	40.0
211.13397	35.9
233.15517	8.5
235.13399	100.0
236.13708	6.6
245.18851	4.0
249.14949	10.3
289.18069	53.5
307.19138	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43208	1.1
55.01868	3.9
56.99484	1.1
57.03437	4.7
61.98806	3.1
65.03964	65.0
66.04299	1.2
69.03453	2.2
69.24689	5.9
71.04642	2.4
71.05021	37.7
72.70874	1.0
77.94865	1.1
80.33009	1.0
83.04992	1.1
91.33158	1.2
97.06590	74.4
98.06947	1.9
98.21833	1.7
119.08678	13.5
121.06596	100.0
122.06912	3.1
123.08143	3.4
125.09723	42.3
126.10123	2.6
137.09680	3.9
141.12901	2.4
185.11832	73.6
186.12184	3.4
209.11832	30.4
210.12190	1.6
211.13399	32.4
212.13779	3.4
217.12338	1.2
235.13387	90.6
236.13768	5.3
259.37927	1.2
289.18060	16.7
290.18301	2.0
307.19128	26.1
308.19577	2.0
320.13538	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45071	0.4
59.01378	2.6
60.10328	0.4
69.03428	0.5
69.95403	0.8
71.05018	6.2
72.45819	0.4
80.02662	1.1
81.03452	1.9
83.05014	2.5
85.06551	0.4
93.03477	0.5
95.05032	2.0
97.02943	0.4
97.06583	0.7
98.03732	2.2
106.04230	1.6
107.05032	0.7
109.06583	14.6
110.03744	0.9
111.03796	0.7
111.04511	7.6
111.08144	1.6
112.05307	0.7
121.06571	0.7
123.08131	1.4
127.07645	3.9
135.08145	0.8
137.06052	0.6
137.09750	1.0
143.10765	1.7
145.06589	2.7
149.06055	1.2
149.09709	1.5
151.11224	0.7
163.11269	0.6
167.10774	2.7
177.09171	0.7
177.12773	0.6
179.10762	1.5
181.12296	0.6
191.14423	1.0
193.12300	0.4
195.13904	4.2
206.92455	0.4
207.17410	0.4
215.14316	0.4
221.29672	0.4
235.13289	2.1
245.19049	5.8
246.19408	0.6
249.15086	0.4
251.16562	1.6
271.16940	2.3
287.16522	1.7
289.18079	100.0
290.18402	10.5
307.19107	9.7
308.19498	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	8.4
58.35814	2.1
59.01365	5.7
69.70445	7.1
71.15660	1.9
80.02637	2.3
81.03454	6.7
83.01377	8.7
83.05019	2.8
95.05019	5.7
97.02947	7.6
97.06595	10.5
109.06629	2.8
110.03716	5.7
121.06585	2.6
123.04539	11.1
123.08136	5.8
125.09703	21.4
135.08138	5.1
137.09714	13.2
141.12767	2.6
151.11243	2.6
160.08968	2.0
161.09793	3.1
162.32823	1.8
163.07675	3.5
163.11308	17.4
165.12790	3.8
167.10756	2.5
171.10324	2.3
177.12778	3.6
181.12309	6.8
185.11826	18.4
191.10747	4.0
191.14429	17.0
207.10262	11.4
209.11842	45.0
211.13374	2.6
225.11276	11.9
243.17453	2.5
245.19096	52.6
246.19366	3.6
263.20071	2.1
271.16940	5.1
289.18082	100.0
290.18323	7.5
307.19156	57.2
308.19403	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	6.9
57.99057	2.1
59.01372	8.6
64.76794	2.4
69.03453	3.8
69.10838	15.6
78.89622	2.5
80.02682	4.7
81.03449	12.5
83.01382	10.6
83.05022	6.6
91.88029	2.2
95.05014	5.0
97.02949	8.9
97.06585	14.5
109.06602	3.2
110.03722	3.2
121.06644	3.4
123.04517	16.2
123.08163	6.4
125.09708	32.2
135.08177	3.7
137.09702	21.0
141.12871	5.0
149.06017	4.6
161.09703	4.4
163.11288	22.5
165.09305	2.6
165.12857	5.2
166.10011	3.3
171.10280	4.8
177.12820	4.1
179.10664	3.7
181.12346	4.4
185.11823	26.3
191.10767	5.6
191.14404	26.2
197.11746	2.8
207.10248	16.4
209.11801	49.8
211.13412	4.1
225.11327	12.7
245.19072	45.4
246.19470	4.4
271.16953	5.8
289.18082	100.0
290.18414	7.6
307.19122	42.5
316.33307	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30920	2.1
57.03448	18.2
59.01366	8.5
59.07177	2.0
69.03452	3.5
70.71492	3.5
71.01366	12.9
80.02685	5.3
83.05009	10.1
84.67700	2.3
88.78402	2.3
93.03397	2.7
95.05013	8.5
97.06597	26.9
106.04207	3.1
107.08597	2.8
109.02893	3.3
109.06575	5.3
111.08145	13.1
121.06586	4.9
123.04524	4.1
125.09694	9.6
125.10557	3.0
127.11222	3.1
135.08128	5.8
137.09674	4.9
147.11794	4.1
149.09685	4.4
151.11287	28.6
153.09161	6.8
153.12833	4.8
155.10780	14.2
158.03215	2.6
161.09711	3.0
163.11278	8.5
165.12854	39.7
167.10764	5.2
169.12320	5.2
171.10199	7.4
177.12840	5.5
179.10782	7.7
180.88017	2.2
181.12360	57.3
185.11838	9.5
191.10782	16.4
191.14435	10.8
197.07950	2.1
205.12238	3.2
209.11833	100.0
210.12140	7.3
211.13359	10.3
224.10506	5.4
245.19109	37.2
263.20178	15.2
271.16934	5.0
279.19595	7.4
286.68451	2.7
289.18115	50.2
290.18320	4.2
307.19083	76.9
308.19385	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	307.1914
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.73466	3.8
53.72495	4.0
57.03442	22.7
59.01371	9.9
68.34030	4.1
69.03484	4.2
69.05640	30.0
69.66076	4.5
69.78239	4.3
71.01374	14.6
73.02307	3.9
80.02689	7.0
83.05021	9.1
83.92184	4.5
83.94609	4.2
84.69286	5.0
95.05030	9.7
97.06598	29.5
100.81859	4.0
109.06604	6.8
111.08142	15.9
122.49490	4.2
125.09734	7.0
137.06105	4.0
149.09795	6.3
151.11292	32.4
153.09177	6.0
153.12766	6.4
155.10785	16.8
163.11269	8.4
165.12837	35.6
167.10732	5.2
179.10722	8.8
181.12340	54.9
191.10725	20.3
191.14374	12.7
197.11777	7.4
209.11790	90.2
210.12292	6.8
211.13297	9.6
241.32616	4.1
245.19087	45.3
257.31329	4.9
263.20181	11.9
270.76294	4.6
271.17023	7.4
279.19781	5.9
289.18155	48.3
290.18423	9.6
307.19125	100.0
308.19592	9.7
320.58020	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86785	0.3
59.01348	0.9
59.96717	0.4
60.97503	0.4
61.98811	0.4
63.57677	0.3
65.01942	0.4
69.89669	1.1
72.53545	0.4
74.98695	0.4
74.99070	6.0
91.02220	2.7
93.00110	1.3
104.13811	0.4
105.15151	0.4
108.14442	0.4
123.97015	0.3
135.04495	1.4
149.00943	1.8
155.10760	0.9
159.07346	0.5
159.08479	5.9
161.06340	1.5
179.03510	1.7
191.14381	1.0
206.99683	1.3
209.01228	2.5
217.07188	0.6
223.02826	51.8
224.02834	4.7
241.03767	0.5
245.19104	3.4
263.20197	0.9
274.44894	0.4
289.07538	1.8
289.18103	4.9
291.09088	100.0
292.09216	11.8
307.12189	4.1
307.19153	12.4
307.22632	1.1
308.12234	0.5
308.19473	0.9
309.10202	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09806	0.7
57.03432	1.6
59.01381	5.3
64.82436	0.7
65.27476	0.7
69.18535	4.0
74.06929	0.8
83.05044	1.3
95.04980	1.3
97.06585	0.9
111.08166	1.1
125.09704	1.8
135.04506	4.7
136.14700	0.7
149.09712	0.9
177.12848	3.3
179.03488	4.4
179.14394	8.6
195.13895	1.8
205.12332	2.6
205.15982	6.2
223.13371	13.5
224.13574	1.2
231.21140	5.8
275.20151	77.9
276.20471	7.4
284.17972	0.9
289.18036	2.5
307.22763	100.0
308.23148	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	307.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72596	0.4
57.03448	4.7
57.38400	0.4
59.01373	2.9
69.03445	0.4
83.05043	0.5
98.21889	1.4
109.06557	0.5
111.08171	1.0
118.53019	0.5
127.11291	15.1
128.11670	0.6
135.04518	3.1
135.11795	0.7
136.04549	0.4
149.09669	0.8
151.11256	2.1
153.12822	2.1
155.10738	0.5
167.10770	1.8
177.12793	1.6
179.03503	3.9
179.10744	2.0
185.11790	0.6
195.13853	2.6
197.11798	1.0
205.15988	0.6
263.23758	1.2
275.20148	10.0
276.20450	0.6
289.18048	1.5
291.08929	0.5
307.22763	100.0
308.23105	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	307.2279
Annotation	5alpha-Androstane-3beta,7alpha,17beta-triol
Peak:m/z	Relative Intensity
52.45161	1.3
59.01358	3.0
61.98815	1.9
69.48323	2.9
69.48717	1.9
96.50636	1.1
96.95972	1.4
97.06559	1.2
135.04523	10.6
165.12845	1.2
179.02258	1.1
179.03543	10.6
185.11768	1.8
191.14265	1.5
195.13866	1.2
209.11906	1.6
223.17030	9.8
224.17714	2.2
233.15407	1.9
245.19029	4.3
251.16518	12.2
263.20148	1.5
284.16232	4.8
289.17999	6.5
289.21686	11.6
290.21594	1.4
307.08316	2.5
307.19061	13.3
307.22729	100.0
308.19708	2.5
308.22974	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
57.03444	1.3
59.01382	43.0
65.88652	0.8
69.30137	5.4
71.01383	20.2
73.02945	43.7
75.00861	2.6
83.01374	1.7
85.02948	5.5
89.02438	19.8
95.01405	1.5
98.22615	2.3
99.00883	7.8
101.02435	12.9
103.00332	1.2
112.98854	1.1
113.02453	7.6
115.00374	1.2
117.01943	100.0
118.02302	1.5
119.03544	8.3
129.01985	1.3
129.05580	3.8
133.02977	1.9
133.54245	1.0
147.06598	3.3
158.42538	1.1
161.04555	2.7
179.05551	2.3
183.55383	0.9
237.06137	2.6
246.58698	0.9
290.18652	1.2
309.08420	3.2
309.11905	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
57.03444	1.3
59.01382	43.0
65.88652	0.8
69.30137	5.4
71.01383	20.2
73.02945	43.7
75.00861	2.6
83.01374	1.7
85.02948	5.5
89.02438	19.8
95.01405	1.5
98.22615	2.3
99.00883	7.8
101.02435	12.9
103.00332	1.2
112.98854	1.1
113.02453	7.6
115.00374	1.2
117.01943	100.0
118.02302	1.5
119.03544	8.3
129.01985	1.3
129.05580	3.8
133.02977	1.9
133.54245	1.0
147.06598	3.3
158.42538	1.1
161.04555	2.7
179.05551	2.3
183.55383	0.9
237.06137	2.6
246.58698	0.9
290.18652	1.2
309.08420	3.2
309.11905	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33214	3.9
71.01379	22.7
72.27501	0.6
74.24864	0.7
89.03963	2.7
93.50516	0.8
115.00377	9.5
117.03472	7.3
133.01396	4.0
134.03737	86.5
135.04068	2.4
149.06053	6.9
178.02699	6.3
193.05048	100.0
194.05397	4.4
212.18272	0.9
241.95738	0.8
258.09973	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.119
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01865	1.5
57.03439	1.2
57.18513	0.7
59.01379	83.9
60.01743	0.7
70.19578	1.4
70.19925	0.7
71.01382	36.1
71.04996	0.9
72.99297	1.8
73.02949	7.8
75.00875	4.4
75.67239	0.5
83.01372	2.1
83.05051	1.3
85.02950	8.0
86.03253	0.7
87.00871	1.6
87.66951	0.6
89.02444	33.9
95.01386	2.8
96.79816	0.7
99.00867	1.8
99.04544	0.9
101.02444	23.8
101.06068	1.2
111.04463	1.2
113.02446	11.0
113.68168	0.7
115.00329	1.1
117.01949	13.4
119.03502	13.5
129.05597	13.3
131.03490	1.4
131.67894	0.6
133.02945	0.8
143.03528	1.7
147.06642	4.9
149.04565	1.1
150.05589	1.3
161.04572	3.3
177.01886	1.0
179.05624	2.9
189.07878	0.7
199.48688	0.6
216.56555	0.7
220.35634	0.6
237.06041	1.5
309.11902	100.0
310.12238	5.8
320.41736	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58337	12.0
57.03441	18.9
63.48086	13.1
63.97182	10.6
69.51634	46.4
71.05013	12.4
71.51842	10.3
74.19221	12.1
101.94913	10.1
117.58849	10.9
119.05133	12.7
119.08657	25.4
121.10236	51.0
125.09722	33.5
138.98936	11.1
153.83203	12.2
170.59616	11.7
171.10228	29.8
185.11826	60.4
185.60954	11.5
197.11742	30.8
200.56528	11.3
208.17102	11.9
273.18484	13.6
275.20306	18.2
291.19620	100.0
309.20770	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
51.29379	1.2
53.46523	1.1
57.03459	1.5
59.01360	4.5
69.03407	1.6
71.05017	18.7
71.19088	1.1
73.65144	1.1
83.05023	1.8
95.05036	2.0
97.06586	6.0
98.22597	3.2
107.05045	1.3
111.08076	1.2
121.10238	3.8
123.08137	2.4
125.09711	5.4
127.42783	1.3
137.09717	20.2
171.10263	52.4
172.10594	2.3
181.12329	2.6
183.13878	3.6
185.11870	8.3
185.38095	1.1
193.12440	1.7
195.13914	1.3
197.11885	1.4
207.13922	2.1
211.13388	33.1
212.13670	2.7
219.13989	1.6
233.15500	2.2
235.16879	1.7
237.14902	2.4
251.16505	19.1
252.16817	2.4
263.19736	1.5
267.09415	1.3
291.19662	57.5
292.20068	5.3
309.20694	100.0
310.20999	9.7
320.37280	1.2
321.18951	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.9
59.01361	1.4
66.06506	0.6
69.69659	2.0
72.56118	0.6
83.05037	1.1
95.05030	0.8
109.06580	0.9
111.08121	3.4
120.56053	0.5
125.09687	1.0
127.11271	2.0
137.09724	0.7
151.11235	1.3
153.12801	3.4
155.10788	1.3
163.11296	0.6
167.10793	2.0
169.12288	0.8
179.10715	1.0
179.14450	1.5
181.12373	4.3
195.38608	0.6
197.11861	5.2
199.13351	1.4
207.13965	1.7
209.11790	0.6
215.12947	0.7
226.12082	1.1
227.12823	0.8
228.13560	1.7
247.20631	5.9
263.20288	0.9
265.21515	1.4
273.18527	2.9
281.21240	1.7
287.39902	0.8
291.19644	39.2
292.19955	3.2
309.20703	100.0
310.21085	9.1
322.17603	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26507	1.8
55.85225	1.7
59.01373	2.3
60.73495	2.2
67.01879	2.4
70.00147	2.8
71.05003	2.8
78.97186	1.9
80.02667	9.8
81.03442	4.4
83.05022	28.9
84.02156	13.7
95.05001	2.3
97.06576	7.9
99.08151	10.8
105.12976	1.8
109.06585	3.2
110.76456	1.8
111.08141	2.7
113.09744	2.4
115.07602	4.8
123.04524	3.0
125.09736	4.7
127.11321	5.1
137.09720	53.2
139.11256	6.0
146.12943	2.0
151.11296	6.7
153.09235	10.0
153.22501	1.9
155.10780	58.4
156.11145	2.8
167.10780	6.7
169.12358	2.3
171.08783	3.3
171.10265	61.3
172.10349	2.2
190.78952	2.2
193.12314	29.3
209.11826	3.4
209.15523	4.0
211.13412	4.3
247.20677	7.6
263.20126	7.7
265.21692	7.1
273.18674	3.0
291.19666	100.0
292.20010	9.6
309.20691	87.5
310.21063	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	309.207
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
50.15774	1.0
54.26970	0.9
56.62742	1.0
57.03431	2.7
59.01353	1.5
69.22417	3.8
69.22826	1.9
71.05019	17.8
93.07104	1.2
97.06563	6.2
98.22554	2.1
104.94720	0.9
107.05054	1.4
119.08665	1.3
121.10223	13.8
123.04494	1.2
123.08154	1.6
125.09718	12.6
126.58587	1.0
137.09717	18.7
138.10031	1.1
141.12851	1.8
171.10265	39.7
172.10559	1.7
172.47078	1.0
175.41414	1.2
185.11819	14.0
197.11813	2.7
207.13919	1.5
209.11870	2.1
211.13411	2.1
219.13924	2.6
231.52071	0.9
235.16861	2.4
237.15002	3.2
247.20615	2.9
251.16492	42.2
252.16843	2.8
273.18692	2.9
291.19641	100.0
292.20007	8.5
309.10330	3.0
309.20685	83.4
310.21002	8.4
332.81061	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
55.01901	0.8
57.03437	3.3
59.01384	6.0
63.90984	0.8
69.03461	0.9
69.15347	0.9
71.05020	16.5
81.03444	1.7
81.07055	0.9
83.05029	1.3
90.15263	0.9
93.03436	1.0
95.05025	1.9
97.06578	6.3
98.21886	2.5
107.05034	1.8
119.08633	1.7
121.06580	1.2
121.10235	11.1
123.08157	2.6
125.09728	9.6
135.08116	1.6
136.84515	0.8
137.08728	1.5
137.09724	23.0
138.10075	1.0
141.12830	1.9
151.11317	0.9
165.12683	1.0
171.10260	49.8
172.10567	1.5
181.12402	1.4
184.76762	0.9
185.11815	16.7
195.10312	1.1
195.13957	1.1
197.11833	4.8
207.13809	1.9
207.17470	0.9
209.11864	7.0
211.13394	1.9
219.13942	2.8
221.15543	1.9
233.15639	1.0
235.16972	2.0
237.14972	2.7
239.16565	2.9
247.16905	1.1
247.20718	1.8
251.16512	35.6
252.16873	3.0
265.07620	3.1
267.09149	2.5
273.15497	0.9
273.18793	2.7
291.16125	3.5
291.19644	92.8
292.16782	1.3
292.19952	7.9
309.04199	1.2
309.10275	11.1
309.20697	100.0
310.10635	1.5
310.21082	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	309.2069
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.95639	0.9
57.03442	1.5
62.98441	1.1
65.75643	0.9
67.01884	2.0
69.99582	1.0
69.99905	2.2
80.75516	0.8
83.05019	1.2
93.07090	0.9
121.10236	13.4
125.09760	7.4
131.74356	1.0
137.09703	2.7
139.17885	0.9
141.12851	1.1
147.08115	1.3
167.14363	1.5
171.10284	6.8
185.11810	11.7
195.13942	1.0
197.11867	2.6
211.13396	71.8
212.13748	4.4
223.13315	1.1
273.18466	1.7
291.19669	100.0
292.19980	9.9
309.20642	2.2
313.36066	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.7
59.01374	3.8
69.03445	3.8
69.52690	9.4
71.05045	2.6
80.86297	2.2
83.05019	4.3
97.02953	5.5
97.06599	2.8
99.80456	2.2
111.08167	20.6
117.99624	2.1
127.07638	2.8
137.09724	4.1
148.83261	2.2
151.04007	2.4
152.08401	8.4
153.12849	2.2
162.09958	2.2
163.11342	5.4
165.12805	3.2
169.12315	6.0
171.10271	10.6
179.14383	3.0
180.78830	2.1
181.12402	2.7
183.13972	2.7
185.11775	2.9
193.12276	2.7
194.51810	2.1
195.14032	4.4
197.11829	67.3
199.13506	4.3
209.15425	7.1
211.13423	10.6
213.88617	2.2
223.13437	3.4
233.15454	2.6
245.27443	2.5
247.20587	6.3
263.20062	4.6
265.18085	2.8
273.18585	4.3
291.19629	75.3
292.19882	6.9
309.17102	10.6
309.20670	100.0
310.21057	10.8
314.49854	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	6.9
69.55360	10.5
71.05019	2.5
83.05002	2.7
98.21870	4.5
107.08633	3.4
108.05785	3.5
111.08175	6.0
119.08659	18.1
125.09728	7.2
127.11288	3.4
137.09726	35.0
139.11243	2.2
140.64935	2.3
146.92708	2.7
148.76613	2.7
149.93385	2.2
155.10786	4.0
171.10265	100.0
172.10619	3.7
183.10280	5.4
185.11829	22.3
197.11777	18.0
201.11270	5.0
211.13388	6.5
213.11240	7.7
220.06760	2.4
229.19696	2.9
273.18637	9.6
274.78101	2.6
291.19687	31.0
309.20724	37.5
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	Unknow
Peak:m/z	Relative Intensity
57.03436	1.8
58.00575	1.2
59.01360	1.6
70.77263	2.2
86.70592	1.1
110.08889	1.1
111.08165	29.9
112.08481	1.4
124.04649	1.2
127.07639	1.8
169.12346	7.1
181.12262	1.9
197.11818	100.0
198.12169	4.9
199.13400	2.4
209.15407	2.1
211.13416	8.6
212.13713	1.2
227.12878	3.8
251.16490	1.5
263.20123	4.4
265.18018	2.9
273.18744	2.2
280.69757	1.2
291.19644	16.7
292.19983	1.7
302.59976	1.2
305.43475	1.3
309.17108	1.2
309.20703	30.4
310.21027	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	2.6
59.01362	4.9
60.14080	1.7
65.11254	1.8
69.03442	3.6
69.52091	5.7
74.11606	1.8
77.27599	1.9
81.61613	1.8
83.05006	2.9
108.05840	2.3
119.08671	25.7
120.08974	2.2
121.10206	2.3
125.09718	7.6
127.11296	3.7
135.08168	3.6
137.09715	28.3
153.09189	3.1
155.10764	4.9
167.10815	6.5
171.10263	100.0
172.10585	4.9
183.10268	2.7
185.11798	23.2
197.11894	9.6
201.11324	4.8
211.13426	2.7
213.11317	9.0
227.60854	2.2
229.19597	3.7
273.18539	7.3
291.19672	26.5
292.20035	2.8
309.20734	57.7
310.21027	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53596	1.5
57.24172	1.3
58.00599	2.0
59.01369	1.3
67.65225	1.4
69.03432	1.5
70.26466	2.2
109.06642	1.5
111.08154	29.3
127.07677	2.3
151.11270	1.7
153.12807	1.7
169.12308	7.9
181.12300	2.3
183.13866	3.1
197.11829	100.0
198.12204	5.8
199.13385	5.6
209.70682	1.3
211.13358	11.8
227.12930	1.9
263.20160	6.3
265.18073	3.5
291.19687	18.3
309.20709	33.4
310.20978	2.3
330.52661	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11435	1.7
57.03443	3.0
57.63211	1.6
59.01363	2.2
62.61205	1.4
69.03399	2.3
69.96283	3.5
81.03463	2.8
83.01396	10.8
83.05032	4.2
97.06590	4.3
98.21918	2.7
111.05661	1.9
123.04520	2.1
123.08160	4.5
125.09708	8.0
137.09720	2.3
139.11281	11.8
163.11288	7.5
165.12834	14.4
167.10793	5.1
181.12296	3.6
191.10773	4.8
193.15939	6.2
209.11829	58.6
210.12167	3.8
211.13446	2.4
247.20639	13.5
265.21628	3.5
273.18677	3.7
291.19659	100.0
292.20071	7.3
309.20697	34.4
310.21078	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	309.2071
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.63380	2.0
57.03448	22.2
57.89356	2.3
59.01374	5.3
60.60741	2.0
69.03442	5.3
69.97860	4.3
69.98211	2.8
71.01383	10.5
72.17259	1.9
79.90870	2.1
80.02654	2.6
82.58934	2.4
83.05010	7.2
94.83448	2.2
95.05015	3.1
97.06604	7.0
100.81303	2.0
111.08173	5.0
113.09712	10.8
125.09718	2.9
139.11220	2.9
147.11748	2.8
149.09735	3.3
151.11275	33.7
153.12874	2.6
163.11310	6.1
164.11610	2.2
165.12834	41.3
167.10803	4.5
171.10313	3.0
179.10753	4.4
181.12334	49.6
182.12798	3.3
191.10780	18.3
209.11823	100.0
210.12170	6.0
211.13367	6.0
247.20595	8.2
263.20212	5.2
265.21817	4.3
281.21082	7.4
287.49841	2.3
291.19638	20.9
309.17319	4.1
309.20627	21.6
315.84399	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92400	1.2
57.03434	5.2
59.01371	2.5
69.03450	3.4
69.77066	2.5
69.77399	1.2
71.05021	4.0
83.05017	4.5
85.06595	3.0
87.04498	2.8
97.02411	2.0
97.02950	19.4
97.06567	2.3
109.06602	4.2
111.04496	2.0
111.08146	1.9
123.08072	1.3
137.09729	4.8
158.63654	1.2
165.12834	2.5
167.10733	1.4
169.12238	1.4
171.10300	7.5
177.12859	1.5
179.14430	3.1
183.13956	1.7
193.12398	1.7
195.13893	19.9
205.12308	1.7
211.13423	1.7
221.15471	14.6
223.13313	7.6
227.12869	1.3
228.57536	1.3
231.95012	1.4
233.15443	2.4
239.16507	3.6
247.20651	3.6
251.16545	4.0
273.18668	3.1
281.21249	1.7
291.19653	64.8
292.20044	5.0
309.20700	100.0
310.21048	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08800	0.6
57.03433	0.6
58.12056	0.5
59.01361	0.8
63.81614	0.7
70.01206	1.3
70.01536	0.8
75.92403	0.6
95.05035	1.1
97.02925	0.8
97.06595	1.2
100.97421	0.5
108.94961	0.5
109.76314	0.5
111.08163	1.3
113.09769	2.8
115.07633	1.5
125.06088	0.6
126.06857	0.9
139.11258	0.6
141.09195	1.4
152.08417	0.6
165.12866	3.0
167.10759	0.7
167.14415	1.9
181.12325	3.6
183.13866	0.8
188.12733	0.5
193.12376	1.4
195.13853	1.6
197.11897	0.6
199.15105	0.6
211.13420	4.1
213.15031	0.6
213.75604	0.6
221.15527	1.7
240.13699	2.4
247.20651	3.7
263.20331	0.7
273.18521	2.8
281.21271	1.9
291.19656	41.7
292.19952	2.5
309.20703	100.0
310.20999	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81733	1.6
57.03437	4.4
57.10931	1.8
58.38282	1.8
59.01354	2.1
59.50783	2.0
70.10274	5.5
70.50436	1.6
71.05038	2.5
80.02673	7.7
81.03452	4.9
83.01390	2.7
83.05016	20.0
84.02156	6.0
97.06571	5.9
99.08163	3.0
109.06576	2.5
113.09764	2.7
115.07615	2.0
116.09956	2.0
123.04509	2.3
123.08179	2.7
125.06078	1.9
125.09702	7.7
127.11288	3.5
132.66379	2.3
135.85352	1.8
137.09726	37.1
139.11284	14.4
151.11302	3.7
153.09259	4.9
153.12860	3.2
153.81157	1.8
155.10788	27.9
163.11276	4.2
165.12872	7.2
167.10786	4.8
171.10255	41.0
179.14493	2.2
181.12404	5.1
191.10742	3.9
193.12352	20.1
193.15981	2.7
194.12544	1.9
197.11832	3.8
209.11824	27.1
210.12164	2.4
211.13361	4.8
238.86658	2.3
247.20659	13.0
263.20233	4.9
265.21744	6.9
273.18701	2.8
291.19669	100.0
292.19757	9.9
309.17468	3.5
309.20709	96.2
310.20862	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	309.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24223	1.1
52.16370	0.9
59.01373	2.1
61.98810	1.5
67.98797	1.0
69.73077	1.2
78.70366	1.0
79.95743	4.4
82.45615	1.0
83.05040	1.3
90.61823	1.1
95.95248	2.0
96.96007	48.5
97.02968	1.2
99.00873	1.5
99.08147	2.1
111.08170	1.6
122.97569	1.5
137.09645	1.1
151.03996	1.5
152.08434	4.2
152.76735	1.1
171.10225	2.2
197.11864	6.8
200.06770	1.0
209.15486	4.1
211.13344	1.8
223.16989	15.3
224.17276	1.3
255.74506	1.2
265.17807	1.6
276.86298	1.2
291.19662	8.9
291.23282	19.0
309.17325	65.6
309.20734	16.9
309.24326	100.0
310.17596	4.1
310.21179	1.9
310.24554	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	309.2434
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.04737	0.4
55.25307	0.4
55.31009	0.4
55.91519	0.3
57.03440	0.8
59.01368	1.7
65.41766	0.4
66.07902	0.4
70.92957	0.4
74.26592	0.4
79.95730	1.3
95.95226	0.6
96.96011	20.2
100.74591	0.4
111.08122	0.8
111.58217	0.4
122.97614	0.7
127.11274	2.4
137.18527	0.4
144.70386	0.4
145.26164	0.4
147.86662	0.4
152.08388	0.7
171.10159	0.4
179.14386	1.1
180.14478	0.4
181.12312	0.9
195.13889	16.2
196.14261	0.9
197.11835	1.0
209.15517	0.7
211.13382	0.4
217.30643	0.4
232.38708	0.4
255.52925	0.4
291.19788	2.1
291.23257	17.8
291.26605	0.9
292.23651	1.8
309.17502	23.8
309.20990	5.8
309.24313	100.0
310.17691	2.4
310.24658	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	309.2435
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
57.03444	1.8
59.01371	4.9
61.98840	1.5
69.10199	1.4
69.56943	3.1
69.57338	3.2
73.83393	1.5
79.95724	2.2
82.04369	1.5
83.40254	1.6
96.96023	17.5
111.08134	2.9
116.92907	1.6
139.21968	1.5
151.04063	1.9
151.07619	1.9
152.08420	6.6
171.10262	2.1
179.14404	17.7
197.11865	4.8
209.11740	1.6
209.15492	6.0
224.44843	1.5
275.20209	4.7
277.21741	61.4
278.22015	4.7
291.19595	9.8
309.17209	28.4
309.20755	15.1
309.24335	100.0
310.17679	1.6
310.24829	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	310.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55713	2.4
52.90282	2.2
58.20916	2.4
59.00245	2.1
59.01365	4.5
61.87250	2.1
62.75122	2.3
63.27400	2.4
63.79325	2.4
71.08414	4.1
80.02664	3.5
83.01382	4.6
83.05013	6.0
84.05343	2.9
85.53949	2.4
87.10913	2.6
88.30200	2.2
91.23071	2.3
97.06616	4.4
97.42318	2.3
98.06879	2.7
122.10508	3.7
123.08141	3.7
125.09700	6.2
126.10051	3.1
139.11278	6.7
140.11592	8.5
163.11272	5.4
164.11708	2.6
165.12872	4.7
166.13182	11.5
168.10994	4.0
182.12732	3.4
194.16293	3.4
204.17635	2.4
209.11832	23.9
210.12183	50.5
248.20923	17.1
266.21945	4.3
272.88150	2.6
274.18970	3.1
292.20016	100.0
293.20392	8.7
310.21097	40.3
311.22360	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0984
Annotation	6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose
Peak:m/z	Relative Intensity
52.23480	0.7
55.01868	1.0
57.03442	1.0
58.84421	0.7
59.01381	82.3
60.01703	1.2
67.60243	0.8
69.03448	4.0
69.48164	2.8
71.01384	33.9
72.99298	0.9
73.02944	10.1
75.00864	2.0
83.01411	2.1
85.02958	7.6
87.00888	2.0
89.02448	50.8
95.01394	1.9
99.00858	1.0
101.02444	23.5
113.02444	12.4
119.03510	17.1
125.02404	1.2
131.03517	6.0
131.51439	0.8
143.03462	1.2
149.04550	2.7
161.04521	3.0
179.05624	3.2
258.32162	0.7
311.09839	100.0
312.10208	6.3
315.68646	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96321	4.4
54.01909	6.2
59.01377	100.0
71.01380	57.6
71.47173	4.8
73.02948	24.7
75.36502	4.7
89.02450	94.0
99.00877	47.5
101.02448	57.4
103.60220	5.9
107.59019	5.6
113.02501	7.1
122.06077	9.9
131.03514	15.2
133.02962	21.6
135.04543	26.7
136.04796	10.4
137.48051	5.2
143.21152	5.4
149.04556	45.8
160.04048	9.3
161.02460	57.0
161.04619	8.6
162.02794	23.5
179.03555	13.0
191.05573	15.6
218.68802	5.2
241.06140	6.6
268.09760	7.8
269.09338	28.0
310.58975	50.5
311.05484	10.4
311.10205	90.1
311.59134	11.9
312.10883	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	311.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37696	0.8
59.01378	77.1
59.87633	0.9
60.49923	0.7
69.03462	4.9
70.62920	1.5
71.01376	32.8
73.02941	5.3
75.00874	1.8
80.77512	0.7
83.01382	1.6
85.02932	5.6
87.00888	1.2
87.04538	0.9
89.02444	43.4
95.01376	2.1
99.00867	0.9
101.02448	19.9
113.02443	14.5
119.03503	19.5
131.03479	4.3
143.03474	2.1
149.04556	2.8
161.04552	2.1
179.05586	2.5
209.08571	0.8
236.45285	0.8
311.09818	100.0
312.10300	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	311.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
59.01381	100.0
69.49487	2.1
69.49871	1.5
69.99454	0.7
71.01388	7.5
72.61923	0.6
73.02952	3.0
75.54283	0.6
83.01409	1.8
85.02944	3.6
89.02463	3.0
97.02970	0.6
101.02448	8.1
109.78233	0.7
113.02428	4.5
144.60823	0.7
149.93404	0.6
159.02959	1.1
161.04555	11.6
179.41159	0.7
180.15231	0.7
197.59801	0.6
201.00476	0.6
251.11368	19.0
252.11737	1.3
308.22037	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55055	0.5
55.34195	0.5
59.01381	100.0
59.62529	0.5
60.01727	1.2
69.49367	1.4
69.49752	1.1
71.01383	7.0
73.02956	2.3
83.01395	2.0
85.02938	3.0
87.00883	0.8
89.02463	2.4
91.44768	0.7
95.01403	0.6
99.00889	1.4
101.02448	8.0
113.02459	3.8
119.03553	0.7
159.03003	0.9
161.04558	9.6
169.99561	0.7
251.11371	23.3
252.11656	1.3
278.68338	0.6
311.09958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1864
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
56.27581	0.3
57.03457	0.4
57.18344	0.3
59.01364	1.1
69.22971	2.0
71.04994	0.6
83.05015	0.6
97.06593	1.2
98.21735	0.5
99.08129	0.4
111.08161	0.8
113.09709	0.8
121.02959	1.4
122.03719	1.1
126.03245	0.5
136.05284	1.3
146.24939	0.4
153.12869	0.4
157.08679	1.9
167.14389	2.4
193.15970	0.8
207.17520	1.1
208.78145	0.3
211.13399	0.9
223.18811	0.3
223.20670	2.1
231.17458	0.4
233.15355	0.6
249.18538	4.6
250.18932	0.4
267.19641	100.0
268.19980	7.9
275.16525	7.5
276.16809	0.8
293.17630	37.1
293.21112	4.1
294.17960	3.7
309.31226	0.4
309.93851	0.4
311.18610	38.5
311.22253	14.1
312.18970	3.5
312.22580	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2018
Annotation	Longithorone K
Peak:m/z	Relative Intensity
59.01377	0.3
62.10115	0.2
65.12610	0.2
71.22376	0.2
75.49086	0.2
90.56079	0.2
133.06609	2.5
146.55078	0.2
149.09715	100.0
150.10057	4.7
171.10320	0.4
183.01190	3.0
184.01927	0.3
197.02809	0.3
289.49350	0.2
297.82349	0.2
297.85556	0.2
311.16824	6.7
311.20099	55.4
312.17224	0.6
312.20471	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
56.67054	1.1
57.03448	2.0
59.01370	4.2
61.00537	1.0
61.81816	1.1
71.08109	1.2
83.05007	1.2
97.06552	1.2
97.72480	1.1
99.08207	2.0
113.09719	3.3
115.96223	1.3
129.09244	3.6
129.18092	1.1
139.11287	6.5
167.14534	1.1
171.10254	11.2
181.12343	2.5
183.13933	1.9
193.12274	2.5
197.11830	4.6
198.12215	1.7
199.13484	2.0
211.13408	16.6
221.15479	1.9
239.16460	1.8
239.38266	1.1
268.25134	1.4
275.20105	1.7
293.21225	30.2
294.21454	2.6
311.22266	100.0
312.22641	10.8
324.94757	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	311.2226
Annotation	CHEBI:132678
Peak:m/z	Relative Intensity
57.03426	2.0
59.01369	3.0
69.60728	4.6
83.05045	2.1
83.16762	1.6
83.70070	2.1
99.08156	4.2
99.35167	1.5
113.09724	6.5
129.09218	9.4
139.11354	2.5
151.11266	2.1
155.10786	1.8
165.12753	1.9
169.12334	6.6
171.10262	5.4
180.22255	1.8
181.12311	7.7
183.13914	3.9
193.12357	4.9
197.11812	19.4
198.12267	1.7
199.13374	8.7
211.13400	30.2
214.72379	1.8
283.20276	1.6
293.21234	22.3
294.21451	2.2
311.22272	100.0
312.22546	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	311.2227
Annotation	CHEBI:132678
Peak:m/z	Relative Intensity
57.03440	1.9
59.01376	1.4
60.30752	0.7
60.90701	0.7
66.45421	0.7
69.68923	1.5
77.66488	0.8
83.05019	1.0
99.08179	3.8
113.09726	4.7
129.09209	8.9
130.09671	0.8
139.11299	1.4
151.11290	1.3
153.12830	1.0
155.10782	1.7
164.92523	0.8
169.12349	4.0
171.10240	2.4
181.12344	6.5
183.13907	3.0
193.12378	2.4
195.13759	0.8
197.11839	14.4
199.13336	5.8
201.11346	1.0
211.13391	25.3
212.13789	1.8
225.01599	0.9
265.21735	0.9
275.20200	2.2
293.21225	14.6
294.21600	0.9
311.22275	100.0
312.22684	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	311.2227
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
53.97513	0.7
57.03459	0.7
69.89056	2.1
97.06490	0.7
98.22553	1.3
113.09737	1.5
115.07686	1.0
127.07656	1.3
128.08426	1.0
156.43523	0.6
161.26608	0.7
167.14392	3.5
183.13921	2.4
195.13901	13.1
211.13403	1.5
213.15013	1.5
242.15257	1.1
265.21811	1.1
275.20221	0.9
293.21191	7.6
311.22275	100.0
312.22623	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	311.2227
Annotation	13(S)-HpODE
Peak:m/z	Relative Intensity
52.39844	3.2
57.03443	18.4
59.01378	9.1
59.08895	2.9
59.14027	3.0
60.54139	3.2
69.36220	14.4
71.92310	3.4
78.08888	3.5
91.12614	3.3
97.06602	4.4
98.22602	7.2
100.65033	3.8
113.09730	55.9
130.12971	4.0
136.66225	3.5
139.11275	6.1
159.97890	3.6
167.10753	7.9
177.12932	3.7
179.10785	9.4
183.01199	11.5
195.13901	10.7
223.13309	6.1
249.22389	6.0
293.21213	100.0
294.21735	7.0
311.16928	26.6
311.22244	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	311.2227
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
57.03430	1.4
58.00568	1.2
59.01389	1.8
59.86096	1.2
70.69778	1.6
76.07409	1.1
81.04489	1.2
99.08170	4.2
113.09740	4.9
125.09727	1.6
127.07677	1.5
129.09209	10.8
137.05943	1.2
139.11272	4.0
155.10774	1.4
169.12268	2.3
171.08899	1.8
171.10268	16.0
181.12292	8.5
183.13954	2.6
185.11765	1.9
193.12498	2.0
197.11836	12.0
199.13368	5.5
201.11340	4.4
211.13393	25.6
232.95308	1.3
249.22186	1.3
265.34451	1.3
275.20114	2.4
293.21234	22.9
311.22263	100.0
312.22678	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	311.2227
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
51.24089	4.3
56.29586	3.6
59.01371	11.5
61.98820	5.0
69.03448	3.7
70.73277	5.6
151.03540	4.1
151.11191	6.1
171.10245	6.0
183.01231	11.2
211.13419	10.9
249.22211	30.9
267.19901	4.2
267.23206	6.3
293.21194	88.0
294.21548	8.8
311.16983	42.9
311.22302	100.0
312.17038	4.1
312.22565	7.6
329.45557	4.4
332.97223	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	312.0062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06144	0.6
59.01377	4.4
60.16169	0.7
61.74732	0.7
61.98824	1.2
69.33252	3.5
97.98730	0.7
98.21936	1.1
99.98915	1.1
104.94518	0.7
108.50864	0.8
117.00450	5.9
124.98466	0.8
125.98475	1.1
126.00477	6.7
126.98178	2.5
126.99959	1.0
128.97908	1.3
129.00420	2.4
141.99960	63.8
143.00102	3.5
159.01518	1.5
166.99417	0.9
167.99606	2.0
168.91678	1.4
168.99168	4.0
169.99448	100.0
170.97809	10.5
170.99153	9.8
171.01381	6.8
184.01015	23.8
185.01125	1.6
259.01468	1.0
298.23972	0.7
312.00552	2.6
312.98999	1.6
313.02661	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	313.0718
Annotation	Sylpin
Peak:m/z	Relative Intensity
52.92206	0.2
55.60316	0.2
62.26112	0.2
68.99834	0.2
74.68291	0.2
77.03971	0.2
98.22590	0.5
108.02155	0.3
121.02959	100.0
122.03291	3.4
146.08554	0.3
162.51292	0.2
180.05807	0.8
181.06609	4.6
182.06969	0.3
225.03352	0.3
225.05588	6.4
226.05853	0.3
269.08179	0.4
294.21484	0.3
312.22656	0.7
313.07178	17.0
313.23538	0.3
314.07571	1.5
320.69202	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.4
69.63471	0.4
69.63814	0.6
71.01385	2.8
73.02952	0.2
85.02967	0.6
89.02446	2.3
95.01383	0.2
98.21942	0.4
99.76089	0.2
101.02449	1.8
107.05038	3.1
108.02168	1.6
109.02967	3.1
113.02440	1.5
114.05653	0.2
119.03508	0.9
123.00919	0.6
124.01608	0.3
135.04497	0.2
136.01659	0.6
145.89330	0.2
150.03246	0.9
150.06857	0.3
151.04007	100.0
152.04330	3.4
161.02461	0.3
161.04547	0.3
234.10863	0.3
252.88072	0.2
253.09344	0.3
253.89786	0.2
256.19653	0.2
311.02582	0.3
313.09271	9.5
314.09583	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24485	5.1
59.01380	100.0
63.06063	4.6
71.01376	48.3
73.02947	10.7
79.59650	4.9
85.02934	16.1
87.00868	6.8
88.04024	5.7
89.02445	42.0
99.92557	9.2
100.93361	9.1
101.02446	40.7
107.05048	13.1
109.02923	9.0
113.02445	20.5
115.92050	7.8
116.92883	25.7
119.03484	22.6
151.00713	5.0
151.04004	19.6
151.06107	19.7
161.04541	15.5
179.05569	10.2
230.98059	5.8
253.09317	47.4
294.99203	7.2
313.00266	25.8
313.11288	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	313.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
69.59897	4.1
71.01378	52.3
73.02938	4.9
81.96045	1.3
82.94155	1.3
83.01395	2.1
84.30457	1.6
85.02965	11.6
87.00873	5.1
89.02444	59.9
95.01372	2.8
101.02443	40.0
107.04989	1.5
113.02451	22.1
119.03512	25.2
131.03439	2.3
133.05083	20.2
143.03447	4.3
149.04565	2.5
151.06114	16.6
159.11440	1.6
161.04547	11.9
179.05623	19.2
253.09294	44.8
254.09602	2.5
313.11484	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.7
58.62289	1.1
59.01378	2.7
67.98579	0.9
69.03467	1.9
71.01379	1.2
71.05039	0.9
79.32529	1.0
80.02672	2.1
81.03468	19.9
87.00879	100.0
92.08614	1.0
95.05019	1.5
97.02966	1.0
97.06580	6.3
98.03745	2.1
108.02195	2.4
108.55720	1.0
123.08107	2.2
125.09726	31.4
126.10012	1.2
126.24586	1.0
127.98849	1.1
135.04536	1.6
149.02437	1.4
156.58397	1.0
163.11301	2.8
163.79448	0.8
165.31891	1.1
169.08746	1.5
179.14412	9.2
180.98698	1.0
185.11865	1.3
207.10414	1.1
207.13884	3.7
209.11731	1.0
223.13403	69.8
224.13730	5.1
233.11946	1.4
241.14438	32.1
242.14709	2.3
251.12892	37.7
252.13129	2.4
295.11835	2.3
313.12741	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	313.1783
Annotation	E-64c
Peak:m/z	Relative Intensity
52.39958	0.4
58.24016	0.4
59.01351	0.7
61.98799	0.5
74.45058	0.5
79.05501	0.8
93.03456	11.6
95.05003	0.7
107.05025	2.3
109.06609	0.8
113.06085	0.7
120.28382	0.5
121.06651	1.1
139.11298	0.7
141.09241	0.7
147.08200	2.2
147.11775	1.0
148.01405	1.2
175.11171	0.7
213.08942	0.7
215.10535	4.2
217.12073	7.7
227.17964	2.9
229.08557	0.5
235.13144	1.8
236.13464	0.5
237.14702	0.5
243.09999	1.6
245.19096	4.9
246.19734	0.6
247.09521	2.9
249.11029	1.9
271.16925	0.5
272.13770	0.7
285.18616	0.5
295.16837	2.8
313.17841	100.0
313.23819	2.8
314.18155	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	313.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39958	0.4
58.24016	0.4
59.01351	0.7
61.98799	0.5
74.45058	0.5
79.05501	0.8
93.03456	11.6
95.05003	0.7
107.05025	2.3
109.06609	0.8
113.06085	0.7
120.28382	0.5
121.06651	1.1
139.11298	0.7
141.09241	0.7
147.08200	2.2
147.11775	1.0
148.01405	1.2
175.11171	0.7
213.08942	0.7
215.10535	4.2
217.12073	7.7
227.17964	2.9
229.08557	0.5
235.13144	1.8
236.13464	0.5
237.14702	0.5
243.09999	1.6
245.19096	4.9
246.19734	0.6
247.09521	2.9
249.11029	1.9
271.16925	0.5
272.13770	0.7
285.18616	0.5
295.16837	2.8
313.17841	100.0
313.23819	2.8
314.18155	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	313.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94863	0.7
57.03437	1.0
59.01380	1.2
63.02423	0.8
69.03458	1.2
71.01384	0.8
83.05035	6.4
85.02944	3.9
95.05042	0.7
100.10784	0.6
117.03486	1.1
123.08171	1.2
125.09687	1.5
127.11261	1.6
137.40796	0.7
140.60381	0.6
141.09282	0.7
155.10826	0.7
165.12833	0.9
167.14406	1.0
171.10301	8.9
177.12939	1.2
183.13954	4.9
185.11821	1.7
193.12267	2.1
203.10876	0.8
209.11810	2.2
211.13390	25.8
212.13693	1.3
221.11861	2.2
229.14453	14.9
230.14749	0.8
239.12906	1.8
269.04541	11.3
277.18027	2.8
295.19254	0.9
308.76727	0.6
313.03741	4.0
313.20215	100.0
314.20657	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	313.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86620	0.6
59.01398	3.0
67.01891	1.0
69.03458	2.9
69.73667	1.4
69.74040	1.2
71.01385	2.6
73.02934	0.7
84.02168	1.9
93.07114	1.1
95.05035	5.1
97.06592	13.5
98.06969	0.7
98.21922	1.2
99.04525	0.7
99.08166	1.2
101.02415	0.7
108.02167	0.9
109.06585	2.7
113.02354	0.7
113.57335	0.6
119.08641	1.0
121.02937	6.1
121.06567	1.1
121.10251	2.7
123.08252	1.2
125.06080	1.5
135.04437	0.6
137.09718	1.3
139.11302	0.8
141.07266	0.6
143.07135	13.8
144.07339	0.6
147.08125	0.9
149.09724	1.6
151.10941	0.6
157.08717	0.8
165.09206	10.4
183.10255	4.7
197.11839	25.7
198.12173	1.8
215.12880	10.9
225.05766	0.8
225.11316	2.2
248.11571	1.1
254.06882	0.7
263.16635	2.8
269.09189	2.9
277.18063	1.0
295.19208	1.6
313.20203	100.0
314.20557	8.6
335.18527	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	313.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
63.04123	0.8
69.03460	1.3
69.62573	2.0
69.62960	2.1
74.58581	1.1
78.40061	1.0
83.05045	1.2
83.74887	1.0
84.02172	21.4
95.05084	2.2
97.02962	5.2
97.06594	9.1
98.21864	1.8
99.04507	4.8
99.08150	3.0
109.02976	1.1
110.22171	1.0
119.08660	4.2
121.02946	3.9
125.06100	7.6
135.08162	1.9
143.07140	67.5
144.07521	2.1
197.11754	1.0
213.30000	1.1
215.12936	1.2
245.47400	0.8
263.16568	1.6
295.19128	1.6
313.03598	1.3
313.07162	2.2
313.12003	2.5
313.20209	100.0
314.20493	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	313.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13115	0.5
59.01370	2.1
67.01882	0.6
67.40331	0.5
69.03436	2.7
69.37744	2.7
71.01379	2.3
73.02938	0.7
83.05038	1.2
84.02172	4.5
93.07074	1.3
95.05032	2.6
97.02956	2.2
97.06594	14.7
98.06918	0.6
98.21916	0.8
99.04528	1.7
99.08147	1.0
109.06592	1.4
111.08125	0.9
112.18621	0.6
119.08708	1.2
121.10235	1.6
123.08210	0.8
125.06050	1.9
137.09738	1.3
139.11296	1.0
143.07149	17.2
147.08170	1.3
149.09732	0.8
155.10794	2.9
165.09212	8.0
182.52292	0.6
183.10237	7.1
195.13799	1.0
197.11830	21.3
198.12193	1.2
210.08934	0.8
215.12891	9.2
225.11227	1.0
237.37584	0.5
251.16608	0.8
263.16562	4.2
265.77042	0.6
269.17581	4.9
313.03613	1.5
313.20212	100.0
314.20590	7.4
334.12137	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.1
59.01376	2.0
62.86593	0.8
63.15109	0.8
63.53305	0.8
69.03447	2.2
69.60929	2.4
69.61314	1.6
71.01381	1.6
79.90586	1.1
84.02168	5.8
95.05035	2.2
97.06583	11.9
98.22544	2.1
99.04523	2.1
99.08157	1.0
109.06556	1.4
118.15138	1.1
119.08650	1.2
123.08220	1.4
125.06066	2.5
137.09709	1.1
143.07144	24.1
144.07425	1.1
155.10730	1.5
165.09200	5.7
183.10269	5.4
197.11832	15.6
215.12869	6.1
225.11357	1.9
261.99948	1.1
262.95370	0.9
263.16519	2.6
313.03568	2.2
313.20203	100.0
314.20645	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	313.2385
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
59.01380	100.0
61.98826	2.7
63.95438	1.5
65.09589	1.8
69.77503	4.7
69.77837	1.7
91.02218	2.0
96.05753	2.0
98.21870	1.8
108.02184	1.8
143.07080	1.6
227.17960	1.6
243.32977	1.8
245.19154	2.9
253.21771	3.6
271.22775	40.5
272.23178	2.8
307.30658	1.7
313.17987	14.7
313.23755	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87427	3.5
57.28671	3.9
70.95187	5.0
114.10818	3.8
142.01701	3.7
199.86940	3.5
238.22414	4.0
249.18642	5.1
299.57599	4.9
314.17386	100.0
315.17664	4.3
315.76257	3.4
325.94186	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	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
55.96003	0.5
59.01381	3.1
62.55910	0.5
68.99778	0.5
70.16623	0.5
70.40594	0.8
71.01371	2.3
71.23935	0.5
73.02941	1.2
80.61992	0.5
81.03448	1.2
85.02946	1.5
91.35128	0.5
92.84513	0.5
93.03441	0.5
101.02446	1.2
108.02172	100.0
109.02966	51.6
110.03259	1.5
117.05571	0.7
121.02970	1.5
123.04534	2.9
126.04035	0.5
133.02911	0.8
134.03746	0.7
135.00865	0.5
135.04507	2.4
151.04002	1.9
152.01155	68.9
153.01939	51.1
153.03275	0.7
153.05489	2.5
154.02278	1.7
158.92287	0.5
163.04010	1.1
165.01894	1.8
174.99356	0.6
217.00317	1.4
277.37344	0.6
309.39661	0.6
315.07224	83.6
316.07504	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	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
58.70662	0.7
59.01369	0.9
71.01376	1.9
71.21177	0.9
71.61771	0.6
73.02925	1.0
75.31084	0.7
81.03449	1.0
85.02924	1.1
87.68215	0.7
92.14790	0.7
93.03442	0.8
101.02433	1.5
107.02087	0.7
108.02171	88.9
109.02959	70.0
109.03546	0.6
110.03278	2.1
121.03135	0.8
122.97545	1.7
123.04555	0.9
139.05855	1.0
151.04025	1.5
152.01151	58.2
153.01936	57.1
154.02321	2.6
163.04025	0.8
165.01918	1.0
232.33870	0.7
246.80090	1.0
278.74496	0.7
315.07211	100.0
316.07513	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	315.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11061	0.8
59.01369	2.9
67.01861	1.0
69.36425	1.8
69.36826	2.0
71.01372	3.1
71.59867	0.7
81.03442	1.0
85.02968	1.6
95.01379	0.9
101.02428	0.9
105.01892	1.1
108.02177	95.4
109.02963	75.2
109.03542	0.6
109.04038	1.1
110.03331	1.2
113.02422	1.4
121.02991	1.4
122.97579	0.9
123.04519	11.7
135.00917	0.9
135.03033	0.8
141.00446	0.8
151.03995	2.4
152.01152	66.0
153.01939	63.6
153.05562	15.0
154.02341	2.6
163.04027	1.4
165.01939	1.3
169.00015	0.8
254.99998	2.4
315.07230	100.0
316.04260	1.3
316.07507	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	315.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	22.6
61.98841	5.1
65.22635	2.4
68.41788	2.6
69.61875	3.0
71.01378	7.7
72.99297	4.1
77.71140	2.6
95.05019	2.7
100.87807	2.6
101.02417	2.9
106.20834	2.4
108.02177	92.3
109.02966	65.3
114.98843	2.6
117.00452	3.1
123.04528	60.9
124.04877	2.5
134.03700	6.3
135.04504	10.5
136.70108	2.7
151.04044	4.1
152.01158	56.3
152.04784	7.0
153.01949	65.0
153.05579	100.0
154.05855	3.2
170.97737	3.5
200.13989	3.0
217.00282	7.0
254.99808	5.1
315.03961	5.8
315.07208	78.4
316.07404	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	315.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38438	1.4
58.66525	1.4
59.01379	25.2
60.01716	2.0
61.98817	2.1
71.01384	7.7
72.99303	5.7
73.02940	1.9
78.95927	1.7
83.01409	1.7
85.02943	3.4
93.58332	1.6
98.18539	1.4
101.02438	3.9
108.02174	99.1
109.02959	70.8
111.01998	1.6
114.98861	2.7
117.00446	8.6
122.03656	1.9
123.04525	69.0
124.95359	1.5
125.00901	2.2
131.01985	2.1
135.04482	2.2
141.00397	3.8
143.01976	4.4
144.99939	2.4
152.01158	61.4
153.00690	2.9
153.01952	71.3
153.05573	88.6
154.05876	4.6
156.99936	10.2
157.03525	2.1
159.01483	5.3
159.02838	1.7
161.01216	2.1
168.99927	4.5
170.97818	7.5
170.99236	2.6
171.01532	3.9
172.97633	2.8
172.99390	3.6
174.99246	2.8
184.00955	2.3
198.97429	1.9
211.00833	1.7
213.05992	1.9
217.00314	8.8
228.28429	1.7
239.40459	2.0
255.00012	21.9
255.02699	2.9
255.09537	2.2
256.00082	3.0
267.05713	1.6
315.07202	100.0
316.07492	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1087
Annotation	Taxicatin
Peak:m/z	Relative Intensity
59.01353	0.4
66.31577	0.3
68.65179	0.3
70.96446	0.4
95.05043	0.6
109.02954	3.4
111.05241	0.3
117.17284	0.4
122.03725	0.8
123.04527	74.3
124.04849	2.5
135.00879	0.4
153.02164	1.9
153.05576	100.0
154.05930	3.5
193.60396	0.4
228.90137	0.4
271.11298	0.4
284.43744	0.3
315.07098	0.9
315.10840	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	315.109
Annotation	Taxicatin
Peak:m/z	Relative Intensity
59.01376	1.0
65.03956	0.5
71.01376	0.3
73.02973	0.3
74.16004	0.3
82.51621	0.2
95.05029	0.9
97.02942	0.2
108.02158	0.5
109.02956	5.3
112.60888	0.2
121.02949	0.4
122.03753	1.0
123.04528	68.5
124.04852	2.3
150.05518	0.3
153.02087	3.6
153.05579	100.0
154.05910	4.0
157.58405	0.3
180.88106	0.2
185.09590	0.3
288.74326	0.3
315.07095	1.5
315.10840	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	315.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01639	0.7
59.01371	1.2
69.03453	0.7
73.59254	0.7
75.43452	0.7
76.90987	0.8
85.06620	3.6
105.37070	0.8
107.30572	0.7
113.09744	1.0
115.07610	1.1
119.05064	1.8
124.55502	0.8
125.09731	2.8
127.11296	2.3
155.14474	1.1
163.03996	2.8
165.12817	1.2
167.10814	0.9
167.14403	2.0
171.10265	7.2
183.13884	5.7
193.12300	2.5
209.11850	1.7
211.13400	33.4
212.13773	1.6
227.07265	0.8
229.14452	17.1
279.19846	1.0
297.14719	0.9
304.12482	0.8
315.15854	2.9
315.21747	100.0
316.22052	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	315.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91232	0.9
53.29837	1.0
59.01382	2.5
69.03463	1.5
71.01385	2.0
93.07103	1.0
95.05030	1.4
97.06614	5.4
99.08130	6.6
109.06594	1.7
118.44138	1.2
119.05035	1.4
121.10251	2.9
125.06071	2.5
137.09682	1.3
137.99136	1.0
139.11327	1.9
142.61714	0.9
143.07121	16.3
146.71687	1.0
152.96278	1.0
163.03973	1.3
165.09193	8.2
183.10280	4.5
197.11815	17.0
198.12082	1.1
215.12868	5.6
265.18042	3.9
289.11612	1.0
297.20593	1.6
308.48505	1.1
315.21771	100.0
316.22095	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	316.1893
Annotation	Nateglinide
Peak:m/z	Relative Intensity
59.01377	7.6
61.98840	8.7
69.79535	10.5
69.79927	11.1
92.92825	7.0
95.09411	5.7
116.92850	11.3
195.60733	6.6
251.20277	6.3
316.18933	100.0
317.21252	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	317.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72424	0.3
59.01382	0.6
63.96243	0.3
71.01382	5.0
71.18167	0.3
73.02940	1.3
78.98597	3.5
79.95732	6.0
80.96517	48.9
81.03467	0.9
81.96507	0.2
85.02951	2.1
87.00871	1.8
94.98091	10.4
96.96013	0.7
97.02958	1.5
99.00875	0.2
101.02419	1.6
106.98071	2.2
122.97587	2.3
125.02449	2.5
127.04019	0.6
134.97583	3.3
136.99150	0.8
148.99150	4.7
149.99098	0.2
152.98631	4.6
164.98630	8.6
167.00200	0.3
188.98648	0.4
206.99681	2.0
225.00755	13.3
226.01105	0.5
294.16852	0.2
317.05466	100.0
318.05820	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	317.0666
Annotation	3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone
Peak:m/z	Relative Intensity
51.35020	0.8
57.03458	4.9
59.01372	4.0
63.02392	1.3
65.00314	2.8
70.51638	2.2
81.01878	0.8
83.01362	4.3
93.03493	1.1
95.01390	3.9
96.02166	2.7
107.01395	3.3
111.00883	2.4
122.03710	1.7
123.00861	3.4
124.01665	15.4
125.02451	37.3
126.02789	1.7
135.04549	3.2
139.00354	2.3
149.02458	1.1
150.03250	2.1
151.00351	8.2
152.01154	48.1
153.01434	1.5
161.02483	3.3
162.02849	1.2
163.03983	1.1
165.01984	5.1
165.76683	0.8
175.03918	1.0
177.01949	0.9
178.99837	11.4
179.03371	2.1
180.00626	3.3
187.03992	1.0
192.04297	3.5
216.04254	1.8
221.04367	1.2
230.05888	2.2
231.06624	1.6
236.54236	0.9
258.05258	3.5
274.04819	5.8
282.06876	1.3
284.03235	2.2
286.59302	1.9
289.07190	9.1
299.05539	3.1
316.60886	1.3
317.06659	100.0
317.21082	2.5
318.06989	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95075	4.5
51.94110	3.7
59.01374	50.3
69.71600	9.4
69.71986	9.5
69.86931	3.7
71.01382	16.5
80.96528	20.4
85.02963	6.0
89.00957	6.3
98.22722	4.6
101.00935	4.7
101.02424	5.2
108.02178	16.6
109.02957	10.1
115.72241	3.8
117.00448	65.9
126.98859	6.1
127.02510	4.6
131.02011	100.0
139.34720	4.0
141.00439	6.1
142.99905	4.2
145.03564	18.3
159.01456	14.1
161.04588	5.7
164.98575	6.2
174.99286	6.4
185.07727	3.9
215.00482	14.2
217.00346	8.1
225.00800	5.5
229.02013	6.2
257.01651	53.1
304.92853	4.0
317.00415	9.0
317.05438	58.1
317.10489	13.6
317.21259	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	317.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
70.21611	21.0
71.73846	8.7
101.93118	10.8
169.08719	29.8
183.10255	10.1
184.17755	9.0
263.16721	13.3
273.22308	9.8
281.17563	100.0
289.21948	9.6
317.13815	14.7
317.21252	37.3
318.22049	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	317.2122
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
51.19155	0.6
56.23450	0.6
59.01381	0.9
62.03440	0.5
62.42260	0.6
70.71827	0.8
88.13269	0.6
88.80697	0.6
90.15503	0.6
112.16933	0.7
253.73407	0.7
260.06989	0.6
271.20712	2.0
289.21942	0.7
299.20020	2.7
317.21204	100.0
318.21536	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	318.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59375	6.4
68.32884	5.0
70.70057	7.5
70.70400	7.0
81.99094	22.1
85.29927	4.9
86.28251	6.2
89.31461	5.1
116.92838	11.6
118.89893	6.1
121.74928	5.5
127.87046	6.7
142.17528	5.6
297.57794	7.8
318.20511	100.0
319.23053	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	319.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64688	0.5
55.01873	1.3
56.98034	1.1
57.03443	1.6
58.00580	0.9
59.01378	44.6
67.43066	0.7
71.01380	19.5
72.99303	0.8
73.02943	2.1
83.01386	1.9
84.02180	0.8
85.02949	4.7
87.00876	1.1
89.02441	16.4
95.01391	1.9
101.02442	14.1
111.08157	18.5
113.02434	6.0
119.03502	7.4
133.02972	1.5
134.06815	0.5
135.04512	1.7
138.05568	0.8
139.07661	5.1
141.09239	0.7
153.09209	1.4
157.08707	64.3
158.09041	2.5
161.02440	3.2
162.02805	1.7
179.03435	1.2
199.09734	1.8
202.03336	1.5
310.69543	0.5
316.33322	0.5
318.58633	3.2
319.13959	100.0
319.22174	3.9
320.14328	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	319.1395
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
53.64688	0.5
55.01873	1.3
56.98034	1.1
57.03443	1.6
58.00580	0.9
59.01378	44.6
67.43066	0.7
71.01380	19.5
72.99303	0.8
73.02943	2.1
83.01386	1.9
84.02180	0.8
85.02949	4.7
87.00876	1.1
89.02441	16.4
95.01391	1.9
101.02442	14.1
111.08157	18.5
113.02434	6.0
119.03502	7.4
133.02972	1.5
134.06815	0.5
135.04512	1.7
138.05568	0.8
139.07661	5.1
141.09239	0.7
153.09209	1.4
157.08707	64.3
158.09041	2.5
161.02440	3.2
162.02805	1.7
179.03435	1.2
199.09734	1.8
202.03336	1.5
310.69543	0.5
316.33322	0.5
318.58633	3.2
319.13959	100.0
319.22174	3.9
320.14328	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	319.1398
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
53.02925	0.8
55.01872	6.0
57.03456	4.2
58.00564	1.2
58.83740	0.9
59.01381	67.6
69.03443	1.7
71.01382	52.3
72.99297	1.8
73.02950	20.9
75.00884	2.2
81.52717	0.9
83.01389	10.9
85.02951	25.8
86.00089	2.4
87.00862	3.2
87.04528	2.1
89.02445	19.4
93.17001	1.0
95.01399	3.9
97.02959	1.0
99.00871	6.3
101.02446	53.5
111.00878	1.4
113.02448	23.6
119.03498	9.3
119.21626	0.9
120.99642	3.2
129.01973	1.3
131.03496	1.1
135.04453	0.9
139.07677	2.2
143.03543	1.8
157.08684	6.2
159.02948	2.6
161.04570	11.1
172.17001	0.9
179.05568	1.2
180.08359	0.9
197.46399	1.0
275.14963	9.9
319.13962	100.0
319.22461	9.7
320.14325	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	319.1549
Annotation	alpha-Zearalenol
Peak:m/z	Relative Intensity
55.83681	0.3
69.75833	0.8
69.76194	0.8
81.13900	0.4
83.09875	0.3
86.90145	0.3
88.02312	0.4
108.02170	8.1
109.02960	0.9
121.02958	0.7
122.02877	0.8
122.03738	10.7
133.02951	0.4
135.04533	1.5
136.01602	0.4
146.03716	0.6
147.04517	11.1
148.05307	3.4
149.06050	0.6
158.03754	0.8
159.04460	0.9
160.05309	1.5
161.02528	0.8
161.06065	4.7
162.06865	0.6
172.05302	12.6
173.05869	1.1
174.03214	0.5
175.03999	33.1
175.07317	0.7
176.04776	100.0
177.05118	5.1
185.06067	0.9
186.06886	0.4
187.03903	0.5
204.04115	0.4
211.13365	5.5
212.13643	0.6
217.12329	7.0
218.12672	0.6
231.13927	1.2
239.14493	1.0
245.11906	2.4
255.13887	1.2
257.11801	1.7
257.15497	3.3
263.12814	0.7
273.14987	2.5
283.13379	79.4
284.13702	8.0
301.14429	93.0
302.14786	7.7
319.15475	79.6
319.22791	2.5
320.15805	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	319.1912
Annotation	Cespihypotin T
Peak:m/z	Relative Intensity
69.03447	3.9
69.65629	2.3
69.66014	3.8
76.69740	1.2
93.07073	1.2
97.06590	2.7
106.04266	2.2
119.05074	1.1
121.10242	3.2
123.08179	1.4
123.33628	1.2
125.09732	12.3
126.10037	1.6
131.08643	1.3
134.07378	3.8
147.08118	2.1
149.09721	100.0
150.10068	3.8
151.26372	1.2
171.10332	1.2
185.11771	3.1
218.99152	1.4
229.34451	1.1
268.82056	1.1
291.19666	15.1
301.18155	2.8
319.19073	48.2
319.22757	15.0
320.19424	4.1
320.23022	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	320.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42146	8.5
57.57860	8.9
60.67963	8.6
65.98774	8.1
68.24480	8.8
69.25584	52.7
96.96023	11.1
98.22452	38.7
106.32687	9.5
162.14540	9.2
177.29222	8.9
277.21689	100.0
320.19128	17.0
331.59933	8.7
341.43527	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	321.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.1
57.03447	1.3
58.00587	0.9
59.01377	89.3
60.01686	1.0
60.95479	0.7
69.03479	0.8
69.31744	3.3
71.01379	45.6
72.99306	0.8
73.02937	2.0
83.01383	2.4
85.02947	8.0
88.67046	0.8
89.02440	38.8
89.43999	0.8
95.01393	2.9
101.02435	25.2
113.02457	12.8
113.09686	1.1
119.03492	19.6
135.04483	0.8
141.09225	11.0
143.03491	1.6
149.04510	0.8
150.57343	0.8
153.05312	0.7
159.10278	4.6
161.04585	1.2
179.05594	1.2
193.05122	1.2
201.70586	0.9
209.03442	1.1
255.02985	1.1
321.15515	100.0
322.15878	7.7
327.26764	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01719	1.0
69.17295	1.3
69.17712	1.9
71.01376	7.2
85.02949	1.1
89.02441	8.5
96.25478	0.5
101.02438	3.8
107.43214	0.5
113.02468	2.8
119.03487	2.8
143.03519	0.5
193.71364	0.5
209.36183	0.5
235.27753	0.5
321.15509	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	321.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.3
59.01363	10.9
69.03448	13.5
70.60907	6.6
71.05014	42.8
81.03461	32.8
83.05016	14.0
89.46606	4.2
90.88884	3.9
93.03445	16.6
95.01434	9.2
95.05026	18.5
97.02940	7.4
97.06591	8.7
107.05034	7.4
108.02163	46.6
109.06561	15.1
111.04510	15.2
121.02953	100.0
121.06581	15.3
122.03739	64.2
123.04535	6.9
125.09753	8.6
127.07636	6.2
131.05035	12.1
133.06596	8.9
134.03738	13.4
135.04506	16.8
136.05293	12.0
137.06081	65.4
138.06436	4.3
139.11284	11.6
149.06059	38.8
151.07668	8.7
157.17598	4.2
159.04459	8.0
160.05254	9.8
163.04007	7.9
163.11394	5.6
165.12840	6.0
167.07123	14.2
171.10272	80.6
175.62958	4.0
178.06364	84.2
179.06767	5.9
179.66487	4.3
185.11829	6.5
188.85422	3.8
195.10254	4.9
199.13373	36.9
205.12314	24.8
210.01546	4.5
221.11923	7.1
231.10295	8.3
232.11182	5.6
247.13351	17.0
249.11356	33.7
250.12068	50.6
251.12762	8.0
259.16992	6.1
265.14417	35.0
277.17981	6.4
285.14908	21.8
289.18079	6.3
303.16107	43.2
304.16299	7.7
321.13275	7.9
321.17001	64.5
321.20667	11.1
322.17267	9.2
332.56345	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	321.1707
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
57.03450	9.8
59.01373	4.0
69.03442	2.0
69.78840	4.2
69.79179	1.2
71.05030	11.0
73.02943	3.2
80.02688	3.4
81.03453	7.7
83.05035	4.0
93.03464	13.1
95.05028	61.3
96.62191	1.4
97.02960	1.5
97.06595	11.6
107.05016	9.7
108.02154	2.8
109.06583	14.8
111.04530	7.5
118.54688	1.4
121.02956	6.1
121.06596	5.4
122.03749	2.8
123.04523	4.8
123.08137	10.4
125.09726	63.5
126.10105	1.7
133.06551	2.5
135.04529	8.5
135.08131	2.8
136.05313	2.6
137.06056	3.5
137.09659	2.2
139.11325	2.4
148.84138	1.1
149.06113	7.7
151.07649	100.0
152.07999	4.0
161.09666	1.7
163.11369	1.8
167.07098	7.5
167.10689	2.3
171.10239	10.9
177.12921	2.6
178.06340	4.2
181.16270	1.2
185.10355	2.0
185.11847	21.0
197.11835	1.3
205.12279	4.2
209.11905	2.1
211.13373	1.7
219.13858	5.8
221.11789	5.9
223.09882	1.3
223.13420	7.1
223.89124	1.3
235.13344	5.8
237.11209	3.8
239.12897	1.8
245.11801	2.6
247.13345	4.7
247.92902	1.4
249.11162	3.0
259.17078	3.0
263.12863	7.2
265.14465	30.6
266.14667	2.4
279.16006	1.9
285.14938	2.1
289.18015	2.3
293.17529	2.7
297.41458	1.3
303.15964	13.0
321.17154	29.9
321.20700	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	321.1706
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
51.84018	4.0
59.01370	10.4
62.55968	4.7
67.37252	4.6
69.41178	18.1
71.05012	13.7
79.95744	4.0
81.03455	13.4
83.05025	5.9
85.06581	4.7
90.65098	4.4
93.03442	7.5
95.05024	15.1
96.96014	4.8
97.06586	10.4
98.21824	9.0
99.04527	11.5
109.06586	12.8
121.02938	6.6
121.06586	6.9
121.61501	4.7
122.03799	5.9
123.08155	30.2
125.09731	19.6
133.06616	6.7
137.06082	28.7
139.11273	5.6
149.06116	10.6
151.07652	20.0
171.10229	7.4
173.62717	4.3
174.06766	6.3
213.80623	4.3
221.11745	6.2
233.11633	4.4
237.14955	10.1
241.16000	6.6
251.12791	15.7
265.14581	8.6
277.18054	7.8
285.14938	10.3
303.16080	59.1
321.17017	100.0
321.20419	6.2
321.23322	10.4
322.17355	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	321.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01892	1.1
58.55040	1.1
70.46181	2.4
95.05045	1.6
98.22518	1.4
127.29999	1.2
160.20131	1.3
195.13930	9.9
196.14516	2.9
223.13393	8.0
224.13998	2.3
229.17415	1.3
231.21210	1.7
256.13202	2.7
275.20175	20.5
293.21231	100.0
294.21594	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	321.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09538	1.1
52.84388	1.5
57.03448	1.4
59.01376	10.1
60.78969	1.5
69.25532	3.1
69.25912	2.8
71.05009	9.4
81.03448	3.3
83.05044	2.7
91.05404	1.2
95.05036	3.0
97.05891	1.3
97.06579	3.8
98.21853	3.1
100.49259	1.4
109.02952	1.8
109.06575	4.1
111.04525	19.7
115.79573	1.3
119.05002	1.8
121.06607	2.2
137.06123	2.0
141.09253	2.2
147.08145	2.2
148.08855	1.9
149.09741	4.5
150.10503	1.7
151.07611	2.1
151.11227	1.4
163.11301	23.8
165.12874	3.8
174.10498	1.6
175.11160	1.4
177.09215	2.2
177.12814	8.6
191.14407	40.5
192.14781	1.9
193.12386	2.7
205.12343	4.4
217.16017	4.4
235.13332	1.4
237.11275	1.5
245.19110	34.3
246.19586	2.3
249.15128	1.4
271.17050	6.8
277.21515	1.7
289.18094	100.0
290.18399	8.2
303.19467	2.0
306.18335	2.7
311.26077	1.4
321.20694	98.9
322.21060	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	321.207
Annotation	Rapanone
Peak:m/z	Relative Intensity
54.19131	1.9
57.03437	4.6
59.01377	5.7
62.26257	1.8
69.03452	2.1
71.05021	100.0
73.02936	3.8
81.03457	4.4
82.06268	1.8
83.05026	3.0
85.02955	2.5
95.05018	5.2
96.96003	2.6
97.06574	4.1
98.03734	2.3
99.04483	1.9
100.93877	1.8
107.04992	3.2
109.06561	4.4
111.04514	3.3
121.06563	5.1
123.08122	2.5
137.06076	3.9
149.09659	2.4
151.11279	10.7
162.93927	2.0
167.10789	2.0
177.12877	3.0
191.14407	6.3
193.12274	4.0
201.12807	2.8
205.12309	2.2
215.64650	2.1
225.15028	3.6
231.17787	1.9
233.11809	2.4
233.15427	8.0
233.63982	2.0
235.13374	6.1
245.11784	7.3
249.14984	10.4
263.12961	4.8
265.18045	5.9
275.16342	2.9
289.18057	9.1
301.89673	1.9
303.15958	6.2
306.18411	12.8
321.17093	9.0
321.20673	69.9
322.20898	6.0
324.26309	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	321.2069
Annotation	Decylubiquinone
Peak:m/z	Relative Intensity
54.09617	4.6
54.66648	3.9
59.01371	6.6
64.14105	3.7
70.47765	6.9
73.23407	3.9
77.61421	4.3
78.95905	5.6
95.86471	3.7
171.82210	4.4
182.52821	4.4
193.59804	4.3
195.13879	12.5
196.14601	5.4
221.15436	5.9
223.13394	11.1
275.20227	23.0
293.21231	100.0
294.21628	11.1
303.23331	7.8
321.20670	10.8
321.24219	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2434
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
53.04542	0.7
59.32826	0.7
59.53843	0.9
71.01377	0.8
77.73934	0.7
78.95919	0.8
111.08157	0.8
133.38136	0.8
206.22049	0.7
223.17052	12.1
224.17693	4.2
233.15500	1.8
251.16496	14.3
252.17111	1.6
256.16727	1.2
267.15970	1.0
284.16302	3.2
303.23291	9.3
304.23422	1.2
321.24341	100.0
322.24698	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	321.2434
Annotation	15-OxoEDE
Peak:m/z	Relative Intensity
55.27173	0.9
57.03436	2.1
59.01374	1.6
61.98790	1.7
66.02572	1.1
70.89011	1.8
96.95984	1.1
110.46413	1.0
113.09711	9.4
114.89971	1.1
121.02848	1.0
121.10226	1.3
163.23486	1.2
195.13879	3.0
205.15981	2.2
207.13916	2.9
223.17018	6.3
273.84988	1.3
277.25394	1.7
303.23318	3.3
309.97073	1.3
321.24323	100.0
322.24597	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	322.2021
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
57.03440	0.6
58.02963	1.9
58.29004	0.3
59.01371	0.5
66.83140	0.3
69.03448	0.4
69.19070	0.5
69.19471	1.2
71.01376	0.6
71.05011	0.7
81.03462	0.5
83.05028	0.9
93.03465	0.4
95.05034	1.7
97.06597	1.2
98.22581	0.7
109.06614	1.5
111.08183	0.3
125.09727	0.8
128.10812	7.6
128.11707	0.6
130.08740	100.0
131.09094	2.3
135.08214	0.4
151.11313	0.7
163.11267	0.4
165.12863	1.6
167.10786	0.4
167.24161	0.3
171.10277	0.6
172.09848	0.5
179.10835	0.4
181.12392	1.5
191.05675	0.8
191.10760	0.7
209.11815	4.2
243.17598	0.4
265.14417	0.5
287.16495	0.5
305.17667	1.4
322.20233	34.5
323.20428	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	322.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30090	13.9
62.60130	18.6
89.42515	14.8
96.96018	17.2
115.52367	15.6
120.45718	15.4
146.50966	15.1
243.32332	20.6
252.63234	18.6
279.23257	100.0
322.20999	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88164	0.8
57.03431	1.9
58.00586	1.6
59.01380	100.0
60.01707	1.2
61.01027	0.8
71.01383	45.4
72.45253	0.9
72.99317	1.4
73.02943	2.8
83.01386	2.3
85.02953	8.6
89.02448	47.3
95.01379	4.2
101.02448	27.6
107.05011	1.0
113.02454	17.4
119.03508	25.3
123.54963	0.8
131.03468	1.8
133.02982	3.1
135.04518	7.5
143.03525	2.2
151.10541	1.0
161.02457	7.9
161.04539	2.9
161.08138	1.2
177.05522	1.3
177.54073	0.9
179.03481	8.0
179.05606	3.2
209.08118	1.1
221.04509	2.0
222.21313	1.0
233.04512	1.2
251.05611	1.4
323.13470	90.8
324.13760	5.7
328.01248	1.0
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	Unknow
Peak:m/z	Relative Intensity
55.01878	3.1
55.43142	2.1
57.03448	14.5
59.01362	6.0
69.86572	7.2
71.01373	3.6
71.05027	13.7
73.80448	2.1
81.03446	6.9
83.01388	12.7
83.05009	8.3
84.02145	3.1
85.02925	2.7
89.43188	2.6
93.65267	2.3
95.05026	21.2
97.02916	4.3
97.06588	18.3
99.04525	3.3
103.92812	2.4
106.04259	4.1
107.05009	4.1
109.06574	11.8
111.04519	3.0
111.30362	2.3
113.06084	4.8
116.92874	2.7
120.05797	3.7
121.06627	4.3
123.04526	6.8
123.08151	5.5
125.06071	2.9
125.09731	24.1
133.06651	2.4
135.08159	11.1
137.09694	2.9
141.12868	3.0
146.91440	2.2
149.09711	4.2
151.11302	8.8
153.09189	3.9
163.11272	9.0
165.12834	10.7
167.10693	3.7
181.12366	15.4
181.85098	2.4
185.11804	18.3
189.12804	6.8
191.10823	11.6
203.14369	7.2
207.10248	4.9
209.11838	100.0
210.12212	2.6
211.13445	3.8
212.84215	2.3
223.13341	2.9
225.11357	3.2
233.11897	2.4
237.14944	44.0
238.15250	3.1
243.17516	8.4
247.13335	7.0
249.14896	4.0
261.18546	3.5
265.14346	17.6
268.65778	2.4
277.18176	3.4
287.16589	20.3
305.17572	30.1
306.17889	4.8
323.18634	29.5
349.02036	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	323.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11810	10.3
57.03440	27.4
59.01366	20.0
69.54146	17.6
69.54532	19.3
71.01392	10.1
71.05023	100.0
81.03474	12.9
93.03462	13.5
95.05034	56.6
106.04248	16.1
107.04987	9.6
109.06584	50.5
118.15600	9.0
119.05050	8.9
121.06607	17.5
122.03787	9.2
125.09694	9.6
135.08154	22.6
153.09280	9.9
161.01038	7.0
165.09193	19.2
166.33083	6.9
172.04448	8.7
177.12871	13.1
184.81010	6.6
185.11827	17.4
189.12871	45.8
193.03386	8.0
195.13994	8.7
205.15961	23.6
222.75839	7.2
237.14967	87.0
243.17471	22.8
249.14908	29.9
287.16592	71.5
288.16647	7.6
305.17557	67.4
305.21222	30.3
306.17944	8.7
320.66031	8.0
323.18713	15.8
323.22342	31.5
324.77750	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	323.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.5
57.03432	9.0
59.01379	6.0
62.12704	2.5
64.94096	2.5
65.35789	2.6
67.05532	2.6
69.03445	3.6
70.76482	2.6
70.76825	2.6
71.05021	14.8
73.02933	2.7
75.95565	2.8
80.02684	3.3
81.03447	9.0
83.01387	20.6
83.05013	11.1
84.02169	5.0
84.55193	2.2
93.03454	5.6
95.05037	33.3
97.02911	3.1
97.06601	17.4
99.04504	5.3
106.04250	2.9
107.04983	2.8
109.06583	6.9
113.06084	7.7
116.75365	2.9
122.03793	2.8
123.04525	9.4
123.08145	10.5
125.05968	2.4
125.09724	31.3
135.08160	15.9
137.06081	3.5
137.09724	3.4
149.09694	3.8
153.09189	5.9
160.05675	2.6
161.09671	3.2
163.11282	11.8
165.12759	7.1
165.91893	2.8
167.10774	5.9
169.20787	2.3
171.10214	2.5
181.12386	4.6
185.11859	21.1
189.12804	3.0
191.10741	7.2
203.14397	10.2
207.10339	5.0
209.11832	100.0
210.12097	5.2
211.13467	4.7
223.13359	4.8
224.69055	2.7
227.51703	2.7
237.15022	5.9
243.17488	8.0
247.13373	8.2
249.14966	4.3
261.18591	2.9
265.14468	30.5
266.14871	3.0
287.16641	11.8
305.17493	22.4
313.20901	2.9
323.18619	51.1
324.18936	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	323.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.1
59.01376	2.2
62.79038	1.3
66.92163	1.1
70.56277	1.4
70.56595	1.2
80.02672	1.5
81.03461	1.8
83.05022	7.6
84.02171	1.8
95.05016	2.9
97.02948	1.5
97.06577	3.9
107.05029	15.4
109.06586	3.5
110.03745	2.3
121.02969	1.6
123.04501	1.5
123.68665	1.3
125.02419	2.6
125.06036	5.9
125.09706	6.6
133.04309	1.2
135.04515	1.4
135.08174	4.7
153.09193	13.8
163.11325	6.3
165.12846	5.3
176.08438	4.0
178.10016	3.6
181.12421	1.7
185.11803	2.8
191.10739	2.2
197.11842	11.8
207.10281	9.0
209.11819	100.0
210.12117	5.3
225.11237	5.6
236.10597	5.0
243.17590	2.2
245.15378	2.1
252.29803	1.3
254.11644	3.4
261.18628	7.8
277.18250	1.8
279.19659	3.9
287.16476	9.9
288.16846	1.6
301.03186	1.2
305.17587	83.0
306.17923	8.2
323.18585	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	323.1863
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03439	3.8
59.01366	6.5
80.02699	3.6
81.03457	4.4
83.05014	5.5
85.02950	1.7
91.05550	3.5
95.05027	7.9
97.02949	5.9
97.06590	63.2
98.21915	3.3
106.04250	3.2
109.06593	57.9
110.03704	3.1
117.07109	4.5
119.04964	2.1
120.05801	3.4
121.06570	2.5
123.08145	4.9
125.09717	55.1
132.07538	1.9
132.59021	1.7
133.06541	2.7
133.58049	1.7
134.07373	1.7
135.08162	30.5
136.08479	1.9
151.52345	2.0
153.09195	2.9
155.66116	1.9
161.06087	34.8
161.09770	2.1
162.06432	3.1
163.11292	14.4
169.08623	2.2
171.10333	2.7
173.35036	1.8
181.12338	8.3
185.11801	4.4
207.10254	50.4
208.10617	2.3
209.11841	3.1
217.16008	2.2
223.13394	7.9
225.11346	47.7
226.11864	2.2
243.17589	3.0
261.15015	5.2
261.18607	3.3
265.14465	2.4
277.18033	8.2
279.16013	61.3
279.19086	3.2
280.16272	5.5
287.16507	28.2
288.17035	2.0
305.17590	100.0
306.17963	8.3
323.18683	8.9
338.93442	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	323.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43526	1.7
52.90150	1.8
57.03455	10.7
58.00628	2.2
59.01371	8.1
61.98826	3.1
69.03442	3.4
69.13979	9.9
69.90070	1.8
71.05025	25.9
80.02667	3.3
81.03453	7.1
83.05003	4.3
90.24454	1.6
95.04416	4.2
95.05025	62.5
96.05350	2.6
97.02945	2.4
97.06593	15.0
98.44846	2.0
107.05054	4.3
109.06591	38.6
110.03730	2.4
111.04494	2.4
111.08149	3.2
115.07684	4.1
121.06576	2.6
123.04530	2.1
123.08224	2.2
125.09733	12.5
127.07657	3.4
127.11294	2.2
135.04613	2.0
135.08171	19.3
139.07668	4.1
151.07652	12.5
151.11284	7.4
153.09222	5.3
163.09933	2.0
163.11288	7.4
169.12314	2.2
171.10277	100.0
172.10629	2.7
177.12865	4.7
185.11868	5.8
189.12878	12.2
193.12320	3.0
197.11815	2.2
207.10237	13.6
209.11845	20.4
211.13344	4.2
223.13416	25.4
225.11301	9.4
233.11816	12.4
243.17538	2.8
249.14912	27.1
261.18591	3.8
263.16519	6.1
265.14441	6.5
277.18121	6.5
279.19644	2.6
287.16473	13.0
295.18915	2.2
305.17599	45.1
306.17917	4.0
323.18646	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	323.2228
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
50.50483	3.0
59.01388	9.0
61.98823	4.1
69.54871	3.8
69.55212	13.7
70.78233	3.2
85.41288	3.8
92.91618	4.0
119.08684	15.4
127.11275	3.7
135.08151	8.0
151.11278	4.6
171.10274	100.0
185.11731	8.2
195.13884	4.0
229.19629	7.2
248.04787	3.7
273.18622	40.0
274.18869	4.6
291.19656	92.3
292.20132	7.3
305.21182	7.1
323.22336	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07451	1.7
59.01387	3.3
69.03445	2.5
69.99718	4.8
96.96014	2.0
102.41952	1.6
109.06575	3.9
111.08158	3.7
119.08653	11.2
121.10236	1.8
123.08146	3.0
125.09706	3.6
132.30182	1.7
137.09753	2.8
138.19023	2.0
146.07582	1.6
149.09520	1.7
151.11278	6.5
153.12895	2.7
156.91882	1.6
157.33101	1.7
169.12437	2.3
171.10258	24.6
174.20155	1.7
181.12355	6.6
183.10258	2.0
185.11800	3.5
197.11827	39.1
198.12178	3.3
209.11673	2.6
213.14919	7.2
221.35204	1.8
225.14996	2.3
229.19521	6.8
241.14395	2.8
244.13168	2.9
247.20697	4.5
263.20190	2.4
273.18582	17.7
291.19678	45.0
292.19968	4.7
305.21298	15.1
308.20026	2.2
323.22247	100.0
324.22559	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	323.2226
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
57.03435	3.1
59.01366	2.5
69.62010	1.4
70.02275	1.7
70.02602	3.6
70.54086	1.5
71.05030	10.3
81.03476	1.5
83.05028	1.9
93.07090	2.1
95.05030	1.8
97.06608	3.8
98.21889	1.5
109.06568	2.0
111.04548	2.0
119.08656	5.7
119.94798	1.4
121.10243	14.7
125.09740	9.4
127.07559	1.5
137.09731	18.1
144.00145	1.5
148.08957	2.3
149.09731	7.2
151.11259	3.6
163.11372	1.5
171.10255	22.9
177.12830	4.5
185.11835	17.8
197.11824	4.8
209.11789	4.2
211.13469	2.5
217.16003	3.9
222.12656	1.8
225.11478	1.9
229.19524	2.3
247.20761	2.2
249.18591	2.3
253.14374	2.0
265.18112	2.4
273.18582	8.4
279.19446	2.0
291.19662	97.3
292.20074	7.7
305.17767	2.9
305.21173	38.4
306.21634	3.5
323.22260	100.0
324.22653	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	323.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.9
69.03444	5.0
69.31773	6.4
72.50922	1.4
74.43501	1.4
81.50903	1.9
83.05031	1.8
97.06597	1.6
105.36615	1.6
111.08208	3.2
119.08672	10.5
121.10196	2.5
125.09712	3.8
137.09711	29.3
137.69031	1.5
149.09781	1.7
151.11304	3.5
153.09242	1.5
163.11253	2.6
171.10262	44.5
172.10478	2.1
175.11465	1.6
177.12805	7.7
181.12347	2.2
197.11819	12.9
203.14552	1.6
224.66223	1.6
229.19595	1.7
247.20723	2.4
273.18561	17.0
291.19659	31.4
305.21182	17.5
306.21500	2.0
323.22266	100.0
324.22662	9.1
328.50061	1.8
347.87985	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2591
Annotation	(plusmn)11-HEDE
Peak:m/z	Relative Intensity
57.03432	0.7
59.01373	1.2
69.03447	0.6
69.39609	0.5
113.09714	1.5
137.09717	7.6
171.10300	0.7
199.13382	1.0
207.17519	1.3
223.17024	15.8
224.17380	0.8
225.63181	0.5
305.21295	1.0
305.24844	18.3
306.25195	1.7
323.25897	100.0
324.26260	10.7
344.23828	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17010	0.7
55.44019	0.6
57.42846	0.7
58.89664	0.7
59.01379	22.5
60.01689	1.3
69.03444	1.9
69.23130	1.8
69.23538	2.2
71.01384	4.1
73.02943	1.2
76.47729	0.6
85.02946	2.3
85.45234	0.9
87.80352	0.7
89.02437	2.3
92.05051	14.5
95.04989	0.7
97.02957	4.3
98.21877	1.5
101.02453	2.9
105.03472	0.9
113.02446	1.1
118.03022	3.6
119.05028	32.3
123.04537	2.0
125.02272	0.8
132.08183	1.0
133.02956	2.7
135.03279	3.0
135.04419	0.9
136.04015	0.8
137.06073	1.1
143.03413	0.9
145.05338	2.3
150.05611	100.0
151.05948	3.2
152.07199	0.8
158.09712	0.8
160.07715	4.2
161.04625	1.9
163.04007	28.3
171.06859	2.1
176.07191	0.9
177.01929	1.9
177.07907	1.1
178.08807	0.9
186.09245	6.5
192.10338	12.2
193.10715	0.9
194.08212	19.9
195.08511	0.8
196.09805	2.2
201.00746	1.1
204.10309	4.5
218.11848	13.1
236.09190	1.4
236.12936	4.7
265.12958	2.6
280.11859	7.4
291.44525	0.8
324.10867	16.4
324.13995	4.3
325.11050	0.9
325.20428	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	2.4
61.98814	2.0
63.85508	1.7
66.16831	1.8
69.03445	3.1
70.41766	2.2
70.42082	2.0
71.01380	47.3
79.99087	1.8
80.05045	4.4
95.05023	15.1
100.04069	2.2
101.02454	2.1
106.06628	12.0
108.04563	9.9
109.10068	2.1
115.00372	87.7
117.03538	2.4
122.02478	64.3
130.06566	2.0
135.04465	2.0
140.07181	3.0
146.06105	5.9
150.05629	8.3
157.44336	1.9
158.06139	5.9
166.08687	3.6
174.09238	7.9
176.07159	6.7
203.57683	1.9
204.10265	5.8
208.09787	99.8
209.10088	4.7
226.10863	4.1
263.07101	6.4
280.11914	46.1
281.08124	5.0
309.07654	15.6
310.08203	3.4
324.10828	100.0
325.11072	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	324.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	8.2
65.03171	5.3
75.08661	5.1
99.82008	5.6
116.92811	5.5
183.01207	35.4
184.02039	6.1
205.46829	5.0
325.18393	100.0
325.22052	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	325.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87380	3.8
52.77552	4.2
57.03437	4.7
59.01382	63.3
63.49992	3.5
71.01381	45.3
72.99307	10.3
73.02932	10.2
85.02950	17.8
87.00863	17.2
89.02437	28.7
99.00842	7.1
101.02448	23.4
103.00377	9.2
105.91284	3.9
112.98785	13.3
113.02435	17.8
115.00393	18.1
117.03476	7.8
119.05066	5.8
133.01448	43.6
133.02959	13.4
133.05081	60.2
134.03752	89.6
134.04677	4.8
145.01442	7.5
149.06042	13.2
161.00824	5.0
161.04564	6.7
163.02512	4.2
163.06102	7.2
177.01949	7.3
178.02641	7.0
193.03548	7.6
193.05061	100.0
193.06995	7.9
194.05420	4.7
202.40642	3.8
265.05597	6.4
325.07852	7.5
325.11264	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
59.01375	0.8
61.25427	0.4
64.23651	0.4
69.08924	1.8
69.09330	0.6
71.01379	0.7
85.02966	0.4
93.03468	0.6
96.96011	0.4
98.22726	0.8
114.05613	0.4
119.05025	100.0
120.05354	3.9
121.02968	0.5
133.02959	1.8
134.03877	0.4
135.04518	0.9
138.25415	0.4
145.02969	0.8
149.27316	0.5
150.90642	0.4
163.04005	99.0
164.04349	4.8
177.01871	0.5
191.40244	0.4
206.33466	0.4
311.15265	0.4
325.09235	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54794	0.4
59.01366	1.0
63.78075	0.4
71.01374	0.6
71.47103	0.4
92.15314	0.3
93.03471	0.5
101.02460	0.5
106.71472	0.4
111.40742	0.4
113.92688	0.3
117.03490	0.7
119.05029	100.0
120.05365	3.4
121.02902	0.4
131.05032	0.4
133.02954	1.4
137.05829	0.4
145.02939	0.7
161.04478	0.4
163.04012	81.7
164.04346	3.7
177.01979	0.4
179.03392	0.5
191.05647	0.4
304.92761	0.4
325.09558	0.7
325.13388	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96926	0.4
58.52481	0.4
58.74805	0.5
59.01381	100.0
60.01716	0.8
61.98824	0.9
69.55092	1.6
69.55476	1.2
69.62039	0.5
71.01397	2.9
73.02963	1.4
85.02975	1.4
89.02458	0.9
91.85431	0.5
99.00908	0.6
101.02436	4.1
113.02464	2.0
134.04738	9.5
161.04581	4.6
163.04042	0.6
216.89198	0.6
265.12894	9.7
266.13162	0.7
281.03580	0.8
290.18671	0.5
298.54132	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.7
59.01380	100.0
59.75498	0.5
60.01722	0.8
61.98823	1.5
69.48976	1.2
69.49367	1.2
71.01390	5.4
73.02942	2.2
83.01400	1.3
85.02960	2.1
89.02459	1.3
97.02964	1.0
99.00868	0.9
101.02431	4.5
102.07951	0.5
113.02464	2.3
119.49511	0.6
133.02975	1.0
134.03766	0.8
134.04718	7.8
134.99689	0.6
135.04604	0.5
147.04594	0.6
150.05687	0.7
161.04556	4.4
164.07191	0.8
193.05171	0.9
201.00883	1.1
223.01996	0.6
265.12930	9.5
286.25549	0.5
338.47235	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
69.99750	0.8
79.95757	1.0
83.17062	0.3
89.07019	0.3
97.16640	0.4
97.35586	0.4
119.05030	0.8
121.36044	0.4
129.12737	0.4
160.53177	0.4
170.00449	1.0
183.01210	35.1
184.01904	4.1
197.02783	2.5
198.03574	0.8
239.07553	1.0
325.18427	100.0
326.18759	10.3
335.17374	0.4
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	Unknow
Peak:m/z	Relative Intensity
54.94336	11.4
55.92474	9.8
57.03435	23.9
59.01384	31.7
69.03474	19.4
70.04166	28.2
73.27570	10.4
75.86990	10.4
83.05038	17.5
84.64646	9.3
85.21281	9.5
96.24467	11.6
97.06577	38.6
100.36507	9.8
109.06634	10.7
111.08168	25.8
125.09714	11.9
137.09734	14.3
151.11264	34.6
153.09215	17.0
153.12894	14.7
163.11267	18.2
165.12886	22.0
171.10236	15.9
181.12340	45.0
197.11858	23.3
209.11826	100.0
245.19121	12.9
289.18011	13.8
307.19055	88.3
307.76697	11.2
325.20218	18.6
325.23880	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
57.03439	5.1
58.00589	5.9
59.01373	3.7
62.04032	1.4
67.41917	1.3
69.03469	2.3
69.81117	4.2
70.47532	1.5
71.01387	1.9
71.05024	5.0
71.64253	1.3
73.02934	1.7
79.05482	1.3
83.05028	2.8
84.02174	2.9
95.05028	4.0
97.06593	4.9
98.22571	1.7
101.06078	5.8
109.06592	5.3
113.06118	3.4
114.85987	1.4
115.07652	6.0
115.66948	1.3
121.68277	1.3
123.08171	1.5
125.09716	5.5
127.07655	6.3
141.09201	3.7
151.11305	21.4
152.11647	1.4
153.09209	2.7
153.12862	10.7
155.10777	1.7
155.14424	2.0
165.12852	2.5
167.10765	2.0
171.10321	4.1
179.10739	2.0
179.14442	2.0
181.12349	7.0
183.13734	3.2
185.11981	2.6
191.14549	1.5
191.53043	1.4
195.13991	1.8
197.11807	24.5
198.12256	1.6
199.13388	32.9
200.13699	1.6
201.11363	2.2
205.12299	1.3
209.11816	10.3
211.13426	11.6
215.12849	16.6
221.15303	1.5
223.13373	16.5
224.48640	1.6
225.21906	1.3
227.12888	100.0
228.13214	7.4
229.14465	36.7
230.14789	2.6
235.13425	4.0
239.12794	1.7
239.16527	1.6
245.19229	1.8
263.20163	3.8
269.21130	2.1
279.19827	1.6
289.18140	13.1
297.20911	1.9
307.19159	33.9
308.19492	3.1
325.20203	49.5
326.20523	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	325.202
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
51.11489	0.8
57.03428	1.4
59.01369	0.7
69.71841	2.8
80.02676	1.1
81.03455	2.1
83.05026	7.1
84.02177	1.8
95.05011	0.7
97.06569	1.3
98.22567	1.1
99.08150	1.0
109.06573	0.9
109.78510	0.8
112.05376	0.9
115.07662	6.2
121.03015	0.9
123.08107	0.9
125.09720	2.4
129.09192	1.3
135.08176	1.5
137.09692	2.7
155.10797	7.4
163.11292	6.5
165.12814	3.9
178.10059	4.2
181.12245	1.3
191.10695	1.4
197.11914	1.3
207.10205	2.0
209.11824	82.7
210.12154	5.6
221.44333	0.9
225.11284	0.9
227.12825	0.8
236.10510	0.7
245.19072	1.0
249.17653	0.7
263.20004	1.1
265.18030	0.9
281.21188	1.0
289.18088	3.1
307.19144	100.0
308.19495	9.8
325.20160	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.5
64.14381	1.7
69.55437	6.3
69.55811	3.6
71.01392	6.0
71.05013	2.4
80.02665	2.8
81.03547	2.4
83.05035	5.2
84.02181	5.0
97.06600	2.9
99.08158	2.7
109.85902	1.7
112.05330	3.1
115.07671	3.3
119.02468	1.7
125.09716	7.5
127.07667	18.9
135.08121	3.2
135.31920	1.9
139.07654	4.0
153.09225	17.2
155.10818	2.3
163.11264	3.7
165.12944	1.9
171.10272	19.9
178.10007	3.1
185.11839	19.5
197.11879	22.2
209.11839	71.4
210.12115	3.4
227.12991	2.6
238.12144	6.7
245.19110	3.9
256.13113	3.5
256.96335	1.8
289.18158	10.7
307.19141	100.0
308.19589	9.5
325.20224	43.2
326.20685	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	25.3
57.27248	14.9
59.01376	25.1
68.05513	14.6
69.03461	26.2
72.72349	15.1
74.37473	13.7
80.02661	13.8
81.03429	17.4
83.01409	24.8
83.05037	27.9
91.75340	13.6
97.02968	18.4
97.06587	52.8
123.04510	43.5
123.08213	14.9
125.09735	77.0
137.09715	35.1
141.12811	18.7
155.59033	14.8
163.11272	41.6
165.12868	16.1
167.10826	71.5
170.94247	14.5
185.11880	29.5
191.14372	13.7
207.10236	35.3
209.11787	100.0
211.13379	18.0
225.11243	28.7
245.19057	23.9
248.71892	14.0
281.25104	14.8
289.18173	25.0
307.19290	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58231	1.8
57.03442	11.4
58.00597	1.9
59.01370	5.8
68.84599	1.5
69.03440	5.8
70.79330	2.0
71.01370	4.7
71.05023	11.6
80.02667	4.9
81.03445	2.0
83.05015	6.5
84.02151	2.8
85.06584	2.9
87.04475	2.7
91.05505	2.4
95.05024	2.8
97.02939	5.0
97.06591	7.3
98.54450	1.7
107.05042	4.0
109.05885	2.6
109.06589	38.6
110.06911	2.2
111.04549	2.0
116.57349	1.5
125.06083	4.8
127.07642	4.0
151.11282	2.4
165.12926	1.9
167.10724	3.1
169.12341	8.6
181.12363	8.0
183.13882	4.2
193.12308	3.9
197.11810	58.8
199.13429	4.4
201.11385	2.4
203.66275	1.6
210.25996	1.9
211.13379	45.3
212.13751	2.9
227.12883	3.8
235.13451	6.7
237.14949	16.9
245.19308	2.4
249.14940	4.2
289.17999	11.2
290.18561	1.9
307.19116	5.9
325.20197	100.0
326.20428	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20774	0.4
57.03431	1.8
59.01369	2.2
71.01376	0.7
71.05013	0.6
81.03468	0.7
83.05038	1.5
97.06590	1.7
99.08138	0.9
107.19695	0.5
111.08183	1.5
113.09714	4.3
115.07653	1.8
121.02953	4.6
122.03748	5.2
123.04483	0.7
135.04492	0.6
136.05336	3.1
137.09744	2.2
139.11269	1.0
149.09607	0.5
151.11256	3.9
163.11386	1.1
164.08461	1.7
165.12894	1.8
167.14409	6.2
168.04327	0.6
171.10260	0.6
177.12923	0.5
179.10788	0.6
179.14427	0.8
193.12366	0.7
193.15967	4.0
195.13963	1.4
199.13397	0.8
207.17589	4.2
209.11830	1.3
215.12904	0.9
221.15462	0.6
221.19084	0.7
225.14931	2.4
227.12961	1.3
229.14516	0.6
231.17511	3.2
233.15485	1.4
239.16881	0.5
247.17065	0.8
249.18582	36.3
250.18939	2.7
265.18051	0.8
275.16528	27.9
276.16788	1.9
279.58691	0.6
281.21207	8.4
282.21628	0.9
284.15488	0.5
293.17633	100.0
293.21213	13.2
293.49023	0.5
294.17947	7.8
294.21115	0.8
297.20935	0.7
307.19183	4.5
307.22864	2.6
308.19534	0.6
325.20209	84.9
325.23874	34.5
326.20551	8.1
326.24185	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.217
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
57.19189	0.3
70.68904	0.7
107.05033	0.4
109.98775	0.3
122.46685	0.3
129.15468	0.3
133.06619	0.5
149.09718	93.1
150.10054	4.1
163.11285	98.7
164.11626	5.1
183.01208	6.7
184.02002	1.5
197.02718	0.6
325.18332	14.7
325.21732	100.0
326.18701	1.5
326.22058	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	325.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33285	0.8
57.03444	1.8
59.01377	1.6
66.74908	0.8
69.03472	1.0
83.05018	1.4
83.68150	0.7
97.02938	0.9
97.06577	0.8
100.65645	0.8
111.00890	0.8
113.09723	2.6
116.85729	0.8
125.09733	2.0
127.11278	2.6
137.09808	0.9
143.10782	5.7
151.11256	1.3
153.12836	2.1
155.10797	0.9
169.12314	2.5
171.10272	5.9
181.12393	4.4
181.56770	0.8
183.13927	2.7
189.05844	0.7
190.86758	0.8
193.12350	2.8
197.11833	10.7
198.12131	1.2
199.13385	5.9
209.11778	1.3
209.74867	0.8
211.13377	18.7
277.71671	0.8
289.18021	1.0
307.19482	1.0
307.22739	18.1
308.22943	2.1
325.23804	100.0
326.24124	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.7
59.01389	5.6
65.42642	1.2
69.03486	1.9
70.47290	1.5
70.47604	2.5
71.01390	2.0
71.05048	1.5
80.42390	1.2
81.03480	2.4
83.05028	2.8
96.64657	1.2
97.06592	1.7
99.08173	1.2
111.08156	3.2
113.09741	11.5
113.38670	1.3
115.07648	6.5
121.02962	6.2
122.03783	7.0
125.09807	2.8
127.07682	2.3
136.05283	3.2
137.09746	8.8
139.11281	3.2
149.36830	1.3
151.11284	7.8
153.12874	1.7
155.10753	1.4
163.11278	1.9
164.08359	1.6
165.12851	2.7
167.10675	1.8
167.14423	6.3
169.12276	1.5
171.10234	1.9
179.10666	1.7
183.10170	1.3
193.12384	3.3
193.15944	3.2
195.13914	4.1
197.11942	1.8
199.13435	1.8
207.17552	4.3
209.11812	2.2
215.12883	2.2
223.46706	1.4
225.11308	1.5
225.14929	5.9
227.12860	5.6
229.14517	2.2
231.17569	3.6
247.17024	2.1
249.18593	34.5
250.18961	4.0
275.16571	25.5
275.20145	4.1
281.21167	7.4
289.18225	1.7
293.17587	100.0
293.21207	28.2
294.17923	7.8
294.21310	2.5
307.19162	9.9
307.22751	9.0
308.22742	1.4
325.20154	98.5
325.23859	88.1
326.20474	7.2
326.24271	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	325.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.7
59.01389	5.6
65.42642	1.2
69.03486	1.9
70.47290	1.5
70.47604	2.5
71.01390	2.0
71.05048	1.5
80.42390	1.2
81.03480	2.4
83.05028	2.8
96.64657	1.2
97.06592	1.7
99.08173	1.2
111.08156	3.2
113.09741	11.5
113.38670	1.3
115.07648	6.5
121.02962	6.2
122.03783	7.0
125.09807	2.8
127.07682	2.3
136.05283	3.2
137.09746	8.8
139.11281	3.2
149.36830	1.3
151.11284	7.8
153.12874	1.7
155.10753	1.4
163.11278	1.9
164.08359	1.6
165.12851	2.7
167.10675	1.8
167.14423	6.3
169.12276	1.5
171.10234	1.9
179.10666	1.7
183.10170	1.3
193.12384	3.3
193.15944	3.2
195.13914	4.1
197.11942	1.8
199.13435	1.8
207.17552	4.3
209.11812	2.2
215.12883	2.2
223.46706	1.4
225.11308	1.5
225.14929	5.9
227.12860	5.6
229.14517	2.2
231.17569	3.6
247.17024	2.1
249.18593	34.5
250.18961	4.0
275.16571	25.5
275.20145	4.1
281.21167	7.4
289.18225	1.7
293.17587	100.0
293.21207	28.2
294.17923	7.8
294.21310	2.5
307.19162	9.9
307.22751	9.0
308.22742	1.4
325.20154	98.5
325.23859	88.1
326.20474	7.2
326.24271	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	325.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.7
59.01371	3.0
64.60126	0.8
69.24603	5.4
70.58289	0.9
77.19703	0.8
83.05031	1.3
85.19267	0.9
88.68192	1.0
97.06590	1.2
98.22617	1.5
99.08156	3.3
111.08186	2.0
113.09723	1.7
121.10249	1.2
125.09673	1.2
139.11290	4.1
149.09703	2.2
151.11273	10.7
153.12794	1.2
156.82440	1.1
165.12885	2.0
171.10252	2.7
175.11267	0.9
177.12883	3.6
181.12373	4.0
183.01224	1.4
193.12320	8.0
194.03786	0.9
194.12686	1.1
197.02838	1.3
197.11794	7.6
213.14914	7.9
225.14963	11.8
236.18671	0.9
275.20172	8.4
293.21237	15.5
307.19363	1.8
307.22763	14.8
325.18100	4.2
325.23816	100.0
326.24124	9.6
337.37833	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89997	2.6
62.33652	2.6
92.92806	2.5
120.50496	2.3
121.02899	3.6
121.10244	7.3
139.11282	8.0
144.71770	2.8
151.11288	10.1
155.10841	4.2
171.10272	25.2
183.01213	8.1
183.10225	13.8
197.02678	4.6
197.11900	3.7
263.23828	3.6
275.20053	7.9
281.24777	3.5
293.21240	8.1
307.19464	4.2
307.22559	16.4
325.18210	25.2
325.23825	100.0
325.27710	5.3
326.24176	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	325.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	1.3
60.99807	0.9
66.22728	1.1
69.03477	1.1
69.37487	3.3
69.37890	1.6
70.20677	1.0
83.05042	1.2
97.06590	1.7
99.08141	2.0
100.86784	1.0
107.32031	0.9
108.99295	0.9
109.06562	1.3
113.09687	1.3
120.25327	1.0
121.10230	5.4
123.08133	1.2
125.09715	2.1
127.11308	2.1
132.68886	1.0
139.11288	18.9
140.11623	1.5
149.09644	1.6
151.11292	7.4
153.09270	1.2
154.94897	1.2
155.10809	1.5
165.12860	1.7
167.10861	1.2
171.10266	20.8
177.12837	8.6
183.01221	1.2
183.10260	4.0
193.12338	3.9
197.11830	1.9
237.35187	1.1
266.27567	1.1
275.20154	7.8
293.21228	14.5
307.22766	15.6
308.23270	1.7
324.83511	1.2
325.17993	3.0
325.23834	100.0
326.24158	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	326.0219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.3
59.67495	0.7
62.29509	0.7
69.81364	1.3
69.81733	1.5
71.01376	2.2
73.02932	2.0
77.87155	0.7
79.95723	1.2
86.76726	0.6
87.00870	5.5
89.02456	2.1
96.96011	59.5
98.21805	0.9
98.95612	0.9
99.00907	0.8
101.02425	1.0
102.03130	0.8
108.30341	0.7
109.23625	0.6
113.02438	1.0
119.03496	1.0
136.94008	1.9
138.93629	1.2
140.02045	3.1
141.99931	0.8
180.94853	0.9
182.94237	0.7
184.01015	100.0
185.01154	8.8
214.12181	0.8
247.04564	0.7
247.87163	2.0
255.86086	2.7
276.86530	1.2
314.86456	1.0
325.95987	1.0
326.02203	1.9
327.09296	7.1
328.86911	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84930	0.4
56.51997	0.4
59.01381	8.5
61.98829	1.8
62.75072	0.5
69.03451	0.8
69.45507	1.5
71.01380	3.1
72.82397	0.5
73.02943	1.4
75.00871	0.7
85.02948	0.8
87.00897	0.8
89.02451	3.5
98.22586	0.8
101.02454	2.0
105.01964	0.4
113.02453	0.7
119.03507	1.2
119.05018	1.4
120.82938	0.4
121.02948	0.6
129.01950	0.6
134.04730	3.8
135.04521	1.9
140.02042	2.3
141.99951	0.8
147.04546	1.4
149.02380	0.5
150.03214	0.9
161.04475	0.6
165.04199	0.9
165.05554	1.4
165.07710	1.0
178.07291	0.8
179.05672	0.6
183.01454	0.6
184.01012	100.0
185.01163	6.9
185.02925	0.9
188.98009	0.5
201.00722	0.6
206.06831	1.2
226.48766	0.4
267.10928	0.9
326.02405	1.8
326.11267	2.1
327.09421	1.7
327.12875	1.4
332.24615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.3
60.01722	0.9
61.01819	0.8
61.98830	43.5
67.09457	0.8
86.38987	0.7
89.02443	0.9
107.03616	1.3
134.04735	100.0
135.04340	1.1
135.05150	1.4
149.02409	1.4
164.44777	0.9
165.05542	1.9
179.97025	0.8
184.00992	5.6
266.08884	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08010	0.3
59.01381	7.0
61.98830	3.9
66.25442	0.3
69.50002	1.5
75.71498	0.3
89.02482	0.4
92.02525	0.5
98.21819	0.5
107.03638	2.2
118.24047	0.4
123.33042	0.4
131.48004	0.4
134.04732	100.0
135.05232	1.8
184.01045	0.8
266.08902	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	327.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.8
55.06124	0.5
57.51493	0.4
59.01379	4.2
59.01929	0.5
61.15356	0.5
67.93699	0.5
71.01369	2.3
72.99288	0.7
75.00866	16.7
85.02923	0.9
87.00877	10.1
89.02444	2.0
96.10632	0.4
99.00877	2.2
101.02429	1.5
105.01257	1.0
105.01932	11.8
113.02457	0.6
115.85471	0.5
117.01963	0.8
119.03490	0.5
129.01944	3.8
134.03728	3.2
135.04523	26.4
136.04866	1.0
147.03116	3.1
147.04469	5.0
165.04039	100.0
166.04399	2.5
179.03496	16.8
180.03871	1.0
217.17802	0.6
327.06662	1.2
327.09647	1.6
328.10452	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0934
Annotation	Masuda's compound V
Peak:m/z	Relative Intensity
50.35118	0.6
55.01871	1.8
56.82502	0.4
57.03461	0.7
59.01380	43.9
64.76066	0.4
68.93276	0.5
70.09710	1.2
70.10046	0.6
71.01383	19.8
72.99314	1.3
73.02946	21.5
75.00874	12.3
83.01396	0.5
85.02955	4.3
87.00876	31.8
88.01198	0.7
89.02444	22.1
94.76531	0.5
95.01382	1.0
96.96016	0.6
99.00882	5.0
101.02445	11.3
101.41138	0.6
101.42606	0.5
103.04031	0.7
105.01946	3.4
113.02444	5.9
113.12021	0.5
117.01972	1.0
119.03503	9.9
119.86304	0.5
129.01932	2.3
131.03525	0.6
143.03453	0.9
147.03001	1.5
161.04527	1.4
167.98697	0.5
179.05623	2.5
180.89284	0.6
191.04111	0.5
191.05557	2.8
200.54903	0.5
267.07132	1.1
309.08231	1.0
320.50833	0.6
327.09311	100.0
328.09729	6.0
341.85745	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.2
57.03434	1.9
59.01378	100.0
71.01379	66.7
71.46012	1.6
72.99310	7.1
73.02940	12.6
75.00883	5.9
82.66191	1.4
83.01378	3.6
83.05029	1.7
85.02950	15.0
87.00877	14.9
87.04541	1.4
89.02441	52.6
90.02784	1.6
95.01408	2.6
99.00903	2.3
101.02445	31.8
105.05540	1.6
113.02451	16.9
115.00357	5.5
117.01919	1.9
119.03495	22.4
129.01932	11.2
131.03502	2.5
135.03061	1.7
135.04510	1.2
143.03467	4.7
147.01833	1.4
147.02988	23.2
147.06616	2.9
149.04549	2.6
153.00641	1.1
161.04562	8.4
165.07686	26.0
179.05615	15.8
204.93726	1.3
218.76991	1.2
267.10837	16.7
272.54034	1.1
313.56461	1.5
327.09244	22.7
327.12924	50.9
328.13300	3.8
345.91095	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05272	0.9
59.01363	1.6
62.80608	0.9
69.03441	2.5
78.36604	0.9
81.03447	1.6
83.05021	1.1
91.05540	1.4
93.03445	7.1
95.01385	27.4
95.02002	1.4
95.05019	2.4
97.02939	6.5
109.02979	5.1
110.03763	1.2
111.04516	2.5
117.07126	2.4
119.04991	2.7
120.05775	1.2
121.02926	3.7
121.06622	1.5
122.03740	3.7
143.05043	1.5
145.48756	0.9
147.04529	6.7
147.11867	1.1
157.06577	1.4
161.06084	3.8
161.11670	0.9
162.06892	1.6
171.10335	1.0
175.44080	1.0
201.51324	1.0
203.14348	1.4
204.21558	0.9
213.16441	2.3
215.10480	3.2
215.18054	5.4
217.11943	5.3
229.15997	1.2
231.09970	3.4
231.13806	1.1
231.17506	2.6
241.15977	4.1
243.09962	2.2
243.13713	1.4
244.37656	0.9
245.11591	1.2
247.09369	1.0
249.10881	1.3
257.11569	1.2
257.15628	1.2
259.16959	8.7
260.17731	1.0
271.09778	1.0
271.13116	3.3
272.10294	3.1
272.13217	1.0
275.59445	1.0
281.15219	4.0
283.13412	1.9
283.16788	6.7
284.13773	1.1
285.14963	1.9
297.14725	1.3
299.12927	1.7
299.16248	22.7
300.16714	1.2
309.14700	8.6
312.13437	5.0
313.13889	1.5
327.15762	100.0
327.21866	3.8
328.16141	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	327.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	43.6
71.45738	35.9
102.92570	26.4
119.03266	28.5
119.43940	26.7
141.70679	32.0
145.02663	35.6
168.91362	34.9
210.41701	27.8
285.14844	31.1
290.22708	33.7
291.19537	83.3
295.53296	30.6
297.93170	28.5
327.21667	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	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.3
58.00587	1.3
59.01381	2.7
66.56937	0.4
69.03453	0.7
69.53722	0.4
70.97756	0.5
71.04990	0.6
73.02946	0.5
80.02686	0.6
81.88404	0.4
83.05025	2.5
85.02952	3.0
97.06567	2.2
99.08157	0.9
109.06594	1.6
111.08160	4.8
118.01606	0.5
125.09723	1.0
127.07648	1.5
127.11267	0.6
129.09229	8.5
130.51421	0.4
137.09718	0.5
141.09206	2.5
155.10713	0.7
163.11305	2.1
165.12875	0.9
167.10834	0.6
169.12331	2.9
171.10258	5.4
172.10657	0.5
181.12393	0.9
183.13895	1.2
185.11842	10.5
185.13414	0.8
186.12163	0.6
193.12383	0.5
197.11829	31.1
198.12161	2.5
199.13562	2.5
209.11826	18.2
210.12213	0.9
211.13405	5.4
212.13821	0.4
213.13942	0.6
221.11885	0.9
227.12920	2.0
229.14452	1.8
235.92818	0.5
239.12956	0.5
291.19577	4.2
309.20691	5.3
327.21741	100.0
328.22119	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	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03440	2.1
59.01391	0.9
69.03455	1.2
69.56747	1.5
71.01365	1.6
71.05014	0.8
73.02935	4.7
83.05045	1.2
97.06603	2.2
98.03727	1.5
99.08160	3.9
112.05319	2.6
115.07652	1.9
116.37905	0.8
125.09740	1.2
127.07635	2.6
127.11274	1.9
129.09215	36.9
141.09224	13.0
141.12874	1.2
155.10788	20.8
165.12787	1.2
171.10255	17.3
172.10493	1.1
183.13806	1.0
185.11838	47.4
186.12189	2.6
197.11830	38.6
198.12123	2.7
201.67921	1.0
209.11823	6.8
211.13429	2.4
244.44104	0.9
247.20656	1.9
273.18701	1.1
291.19687	13.9
309.20697	30.2
310.21054	2.8
327.21741	100.0
328.22061	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	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
53.61049	14.0
55.60596	14.8
57.03434	37.9
57.33088	13.1
59.01381	48.1
71.01382	23.6
80.02702	24.6
85.02939	16.9
98.17873	15.0
99.08162	16.6
113.09715	21.9
124.60371	15.0
127.11250	18.7
129.09242	17.4
146.71222	13.9
151.11302	60.6
155.10829	22.7
165.12849	55.1
167.10730	19.5
169.12260	16.1
169.99466	16.2
171.10269	68.0
179.10788	15.4
181.12331	56.8
187.57098	14.1
190.74123	15.5
195.10123	14.5
197.11832	47.5
209.11789	55.6
211.13437	28.2
228.76917	19.8
230.43625	16.3
247.20627	20.0
281.21436	19.1
291.19699	46.4
309.20615	29.4
327.21970	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	327.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	13.1
57.64424	12.3
69.97587	32.1
76.16927	10.6
81.03461	12.3
83.01395	33.4
83.05066	21.7
97.06588	11.1
119.56351	10.5
123.08178	13.3
125.09711	41.6
129.52902	11.3
139.11290	44.2
163.11246	24.4
165.12798	53.2
167.10741	44.0
181.12355	30.6
191.10854	16.0
209.11826	100.0
213.27274	12.4
247.20618	25.7
278.45877	11.0
291.19589	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	73.5
58.00581	11.1
59.01373	46.7
66.18641	10.6
66.65114	13.0
69.03457	20.7
69.37105	53.5
71.01373	44.7
75.41779	10.0
80.02669	24.3
81.03479	12.3
83.05018	39.5
94.74312	11.5
95.05049	15.5
97.06573	24.7
98.22616	18.6
99.08194	16.2
107.08699	13.2
111.08173	22.0
113.09737	36.5
121.02928	11.9
123.04542	13.2
123.08153	23.6
125.09700	17.6
127.11316	26.0
129.05507	11.4
137.09732	25.5
139.11346	21.2
149.09694	16.3
151.11240	56.1
153.09190	12.6
153.12852	31.5
155.10756	47.2
159.80624	11.1
163.11287	15.7
164.13689	12.3
165.12851	58.7
167.10757	14.7
169.12289	13.6
171.10284	87.2
179.10713	22.5
179.14517	17.1
181.12328	100.0
182.67305	11.3
185.11748	52.4
191.10780	26.5
195.10333	12.3
197.11884	46.8
209.11855	82.6
211.13382	25.4
211.26492	13.7
247.20930	20.7
263.20151	25.5
281.21237	19.3
291.19763	35.2
327.21753	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
53.48368	0.6
57.03436	2.3
58.00558	0.7
59.53329	0.7
61.01099	0.7
62.75748	0.6
69.03456	1.2
71.01372	1.1
72.33166	0.6
77.27294	0.6
81.17023	0.7
85.02949	4.5
95.05022	1.1
97.02977	0.7
97.06599	4.4
99.84266	0.7
110.03756	1.0
125.09710	1.2
127.11286	1.9
137.09622	0.7
155.10870	0.9
165.12891	1.1
171.10263	9.4
177.12923	0.9
181.12325	0.7
183.13899	5.3
185.11829	1.7
193.12360	2.2
209.11746	1.8
211.13409	22.3
212.13792	1.1
219.26845	0.8
221.11861	3.3
229.14471	13.6
230.14893	1.1
239.12875	1.7
291.19778	2.1
309.20694	1.0
327.21768	100.0
328.22098	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	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76908	0.5
55.01874	0.7
57.03453	3.6
69.03466	3.1
69.92937	1.4
71.84588	0.4
73.04383	0.4
83.05016	1.0
84.02166	0.5
85.02948	14.7
88.49132	0.5
95.05018	0.7
97.02949	1.8
97.06612	2.9
100.51022	0.5
110.03709	0.6
119.08633	0.8
123.08100	0.5
125.09722	1.1
127.11275	1.7
137.09721	4.7
137.87007	0.5
155.10823	0.7
165.12848	0.9
167.14340	0.9
171.10266	33.3
172.10652	1.5
183.13875	2.9
185.11848	1.0
193.12248	0.5
197.11885	0.6
201.11339	1.8
203.10870	0.6
209.11830	0.8
211.11407	0.7
211.13403	11.6
212.13657	0.7
221.11789	2.6
229.14436	6.8
239.12840	1.6
291.19708	1.9
300.71436	0.5
309.20587	0.7
327.21762	100.0
328.22122	8.2
337.04428	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2178
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03460	0.8
59.01368	2.1
69.03436	1.2
69.29326	3.6
69.90633	0.6
71.01382	0.9
71.05016	2.4
85.02953	2.7
97.06593	2.1
101.02415	0.7
109.06541	0.9
111.08157	6.4
119.08670	1.9
122.06147	1.2
123.04574	1.0
125.09711	1.4
127.11304	1.3
134.06139	2.0
135.04521	1.4
137.09708	3.2
152.68535	0.6
161.02487	0.9
171.10274	23.2
181.12357	1.6
183.13933	1.7
209.11777	1.3
211.13426	7.8
221.11896	1.2
229.14391	3.7
237.18582	2.6
239.13000	1.3
247.07878	0.8
247.16985	2.3
265.18106	8.8
273.18524	3.1
283.11029	1.5
283.19131	17.6
284.19470	1.3
291.19513	5.3
309.20767	4.5
327.21756	100.0
328.22064	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	327.2903
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
59.01376	100.0
61.98835	7.8
70.61799	11.3
90.40507	6.6
94.94927	6.4
264.54086	6.2
289.34882	6.4
327.28973	96.9
328.29385	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	328.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.7
58.03764	0.7
59.01357	2.3
61.98820	1.2
67.98376	0.6
69.03439	1.1
71.01391	3.5
71.04997	1.1
71.17532	0.6
71.43725	0.7
84.02155	0.8
85.02951	10.8
85.06579	1.9
86.03279	2.5
95.05042	1.0
97.02946	0.7
97.06583	5.3
98.06940	2.0
107.01402	0.7
125.02443	7.6
126.06346	0.8
135.04544	1.0
139.11217	0.6
142.12775	0.7
151.00333	1.8
158.08386	0.7
160.01689	0.7
171.10268	3.1
172.08258	1.4
172.10555	4.1
183.13907	6.5
184.14217	10.0
191.05580	1.7
202.11584	0.8
211.13322	6.9
212.13719	9.7
213.14047	0.9
224.07683	0.9
226.09448	0.7
229.14461	1.6
230.14778	2.7
234.15860	0.7
238.07417	0.8
247.07906	7.1
247.58064	1.6
248.08681	5.8
251.16560	0.8
252.16895	2.9
270.17941	1.1
292.20074	2.7
310.20789	1.1
311.12891	0.9
325.14554	0.7
327.21780	9.1
328.22086	100.0
329.13651	2.3
329.22430	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81329	1.0
54.12211	1.0
55.46758	1.1
59.01381	22.2
61.98830	100.0
63.15030	1.1
70.65684	1.3
71.01381	8.3
71.06422	1.7
79.95748	1.1
80.96518	1.5
85.02963	1.7
87.00875	3.6
89.02450	6.6
95.01368	1.5
101.02441	5.0
108.02199	1.9
113.02448	1.6
117.00431	4.7
119.03510	3.0
121.05341	1.3
122.03726	5.0
122.06151	7.3
123.04526	6.2
134.03778	1.9
134.04706	1.8
136.07671	4.1
149.06070	2.5
150.05612	18.7
152.01207	1.6
152.07158	1.9
152.39059	1.1
159.01468	3.9
161.04614	2.2
164.07310	1.0
167.03482	8.6
170.97839	3.6
176.07156	1.6
182.99715	2.5
187.00972	4.3
222.07768	2.4
224.39215	1.2
236.23416	1.2
247.48924	1.1
274.99368	2.0
312.10898	10.5
328.96838	1.3
329.09186	2.0
330.11960	7.3
342.98154	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01378	8.1
61.98843	0.5
69.37267	0.6
69.37659	0.9
71.01006	0.6
71.01384	9.3
72.65575	0.3
72.99298	0.9
73.02943	2.7
73.03281	0.4
75.00898	0.3
79.95728	0.8
83.01388	1.0
85.02946	2.6
86.00107	0.5
87.00874	3.1
89.02450	1.8
95.01379	0.5
98.22582	0.7
99.00870	1.4
99.04564	0.3
100.18557	0.3
101.02450	6.0
108.02152	2.1
109.02936	0.7
113.02451	4.8
117.00436	1.7
119.05100	0.3
121.02956	2.2
121.05320	0.6
121.06599	0.4
122.03741	100.0
122.06104	5.4
123.04581	15.2
125.02469	0.6
134.06100	1.0
135.04530	1.3
136.03838	0.3
136.07686	2.8
137.02396	0.5
137.06087	1.9
143.02068	0.4
143.03471	0.6
147.04515	1.4
148.05257	0.5
149.05983	0.5
150.05608	15.6
152.01152	0.4
152.07144	1.6
159.01495	5.2
159.03001	1.3
160.01709	0.4
161.04562	10.0
162.03224	0.6
162.05688	0.5
164.07138	0.4
164.98605	0.5
165.05582	5.4
167.03488	2.6
167.07108	0.5
170.97884	1.5
171.01497	0.7
175.06425	0.5
176.07181	1.3
177.05501	2.7
185.01173	0.7
186.00786	0.8
186.98502	0.7
186.99176	0.5
187.00984	9.4
188.00832	0.8
192.06493	0.4
194.08313	0.7
201.02599	1.1
222.07707	0.6
274.99408	0.9
285.09799	2.3
295.09045	0.3
297.63120	0.4
312.10876	9.1
328.96390	0.3
329.02640	0.5
329.05637	0.4
329.08844	4.9
330.11938	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	329.0882
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
59.01376	7.0
61.98811	1.4
69.03432	0.3
69.87074	0.3
71.01371	3.1
81.03453	0.7
85.02934	0.8
87.00873	0.7
88.04016	0.6
89.02436	4.2
93.03454	2.1
95.05016	2.3
101.02441	1.7
108.02171	4.0
108.04527	0.5
109.02950	1.7
110.19288	0.4
113.02431	1.0
116.92859	1.0
119.03501	1.5
121.02979	1.9
122.03731	1.4
122.06094	0.6
123.04520	33.6
124.04846	0.9
135.04504	0.4
136.07631	0.5
137.02431	0.7
139.04010	3.9
140.07178	0.8
149.02449	3.1
150.05614	1.3
152.01161	2.8
161.04599	0.8
166.02711	2.0
167.03488	100.0
168.03812	4.6
169.76216	0.4
174.60394	0.4
179.05574	1.3
182.99554	0.6
212.09355	0.6
257.07800	1.0
312.10794	0.4
329.08765	21.3
330.08914	1.0
334.95316	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0883
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01378	6.2
59.50159	0.5
61.96542	0.6
61.98823	0.7
71.01373	2.2
73.02922	1.0
79.95727	0.9
87.00867	0.8
88.04056	0.7
89.02422	1.1
95.01352	0.7
101.02466	1.0
108.02178	57.3
109.02525	2.5
116.92890	2.9
122.03721	0.9
123.04530	25.7
124.04838	0.8
128.33932	0.9
135.04482	1.3
137.04744	0.6
140.07265	0.6
149.06104	1.1
150.05548	1.1
152.01154	38.3
153.01491	1.8
165.01817	0.7
167.03499	100.0
168.03818	5.1
173.04495	1.0
212.09406	0.9
221.35020	0.7
293.12460	0.8
312.10925	1.5
312.15250	0.6
329.08646	3.2
329.12189	0.9
330.12317	0.8
330.16678	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1141
Annotation	Miraxanthin-III
Peak:m/z	Relative Intensity
52.42690	0.4
69.17265	1.8
69.17686	1.6
82.02975	5.1
86.11134	0.4
98.28419	0.4
106.06626	7.9
107.06966	0.5
108.04562	1.0
110.02508	0.6
110.89483	0.4
122.06124	2.9
132.04550	28.7
133.03864	0.6
133.05347	28.4
134.06125	38.8
135.04541	0.8
135.06491	1.1
136.04037	1.0
148.04030	0.9
149.04843	1.7
150.05624	0.5
160.04039	19.7
161.04817	71.2
162.05603	88.7
163.05945	4.7
164.07080	0.6
173.04756	1.1
174.05591	0.5
176.03561	1.5
176.07285	0.5
185.08472	0.6
186.09274	0.5
188.03554	0.9
188.07065	0.7
193.01994	1.0
193.03783	21.0
194.04214	1.6
210.05559	0.7
212.07172	5.8
213.08159	2.8
214.08701	5.9
215.04434	0.5
215.08937	0.5
221.72531	0.5
226.08731	3.0
240.10263	1.5
241.06190	6.9
242.06851	0.9
242.11827	6.3
243.11359	4.5
255.07773	1.2
256.08328	0.6
257.09305	10.8
258.09579	0.9
268.09741	3.3
269.09286	6.8
283.10834	0.9
285.12427	69.3
286.12799	6.0
311.10376	9.6
312.10880	0.9
329.11401	100.0
330.11697	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	329.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14853	1.6
58.16488	1.5
59.01366	4.4
65.03958	5.2
67.01886	5.2
68.99813	3.8
69.03455	35.0
71.01365	2.9
71.45004	1.5
72.99309	82.1
73.02942	5.4
77.03963	4.4
93.03463	23.0
95.05028	22.4
99.04509	3.4
101.02433	6.9
105.03465	38.6
107.05041	4.3
108.02170	1.9
117.03270	1.8
119.05010	2.8
121.02973	7.8
121.06602	11.9
123.04550	12.0
125.06070	3.8
131.39952	1.6
133.02966	17.4
133.06618	13.7
135.04507	5.3
137.02451	3.7
137.06088	4.6
147.08130	2.3
149.02473	1.9
151.03996	21.2
152.44981	1.6
153.05574	100.0
154.05847	2.7
161.02429	3.4
164.86118	1.6
165.05585	15.1
175.07591	4.2
177.01952	3.6
177.05556	6.8
179.03517	2.9
181.05061	16.8
193.08647	2.3
195.06622	3.3
199.06062	3.4
207.10226	1.9
209.04546	59.0
210.04890	4.1
221.08104	4.0
227.05602	5.7
237.07658	4.4
265.07193	4.4
269.10358	13.8
329.12073	2.3
330.13089	2.0
332.45993	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01718	0.9
67.01890	2.7
68.99818	2.2
69.03456	14.6
71.01363	4.0
72.99304	1.8
73.02946	3.0
85.02957	2.6
89.02450	1.2
93.03448	1.1
95.05018	2.5
99.04502	2.1
101.02435	8.1
106.06647	1.4
108.02155	3.6
108.80506	0.9
109.02962	1.4
113.02459	1.4
121.02953	2.5
123.04513	10.4
132.04532	2.1
133.05287	2.5
133.06557	1.7
134.06110	2.8
151.04004	34.7
152.04353	1.2
153.05534	3.0
155.03522	3.4
160.04056	2.1
161.04758	7.2
162.05562	3.8
167.03511	4.6
183.06599	3.9
187.66570	0.9
191.05611	1.6
193.03677	1.4
195.06639	1.1
204.04274	1.6
221.08154	4.5
227.05589	2.0
248.02794	1.0
269.10312	4.4
285.12354	4.3
286.17947	1.3
327.87466	1.0
329.11417	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2328
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
57.03440	1.0
59.01381	4.4
66.49074	0.6
69.95937	0.9
69.96279	1.5
72.63038	0.7
82.95419	1.9
83.04971	0.8
89.52145	0.6
93.03448	2.7
99.08160	6.1
109.02967	0.8
126.21168	0.8
127.11279	1.0
129.09192	3.7
133.02946	1.9
135.04514	3.1
139.11313	1.2
169.12340	2.8
171.10248	5.4
173.04541	1.5
176.03963	4.2
179.03485	2.4
179.10686	1.0
181.12370	4.2
183.13881	2.1
189.12843	1.4
191.05583	7.6
193.12349	1.5
197.11861	1.4
199.13397	12.5
201.11386	0.9
207.09976	3.7
211.13396	13.1
212.13730	1.5
227.12920	1.0
229.14412	3.0
257.11551	4.0
275.20352	0.8
291.19870	1.0
293.21222	2.4
307.19193	1.6
309.20828	2.2
311.12900	1.0
311.22211	3.0
329.23297	100.0
330.23630	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	329.2331
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
58.00579	1.6
59.01373	2.8
66.91628	0.3
69.84851	0.8
69.85215	0.8
71.01382	0.4
77.43544	0.4
77.97520	0.3
78.72280	0.4
83.05007	0.5
93.95324	0.4
97.06589	0.5
99.08155	7.5
113.09723	0.7
127.07642	0.9
129.09210	7.5
139.11334	0.6
155.14392	0.7
167.10844	0.4
167.14400	0.4
169.12347	4.8
171.10269	0.5
181.12315	5.2
183.13943	2.0
193.12312	1.6
197.11813	3.0
199.13393	19.2
200.13829	0.6
211.13396	14.1
212.13736	0.7
227.12840	0.8
229.14378	1.7
275.20065	0.5
293.21143	3.6
294.21402	0.5
311.22305	2.1
329.23306	100.0
330.23642	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	329.2331
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
55.12795	0.4
57.03429	1.1
58.62043	0.3
60.99902	0.3
63.37970	0.4
69.03435	0.6
70.50616	0.5
84.87598	0.4
85.02945	0.4
97.06606	0.6
99.08146	6.6
125.09714	1.5
127.11267	3.2
139.11269	3.1
155.10744	0.6
155.14461	0.8
165.12840	0.9
167.10794	0.4
167.14412	1.5
171.10271	8.4
171.11642	0.8
172.10614	0.9
183.13879	6.7
193.12326	2.2
199.13295	0.5
209.11809	1.3
211.13388	31.0
212.13715	2.1
229.14418	15.7
230.14859	0.9
293.21271	0.7
297.07489	0.4
311.22269	0.7
329.23306	100.0
330.23633	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2334
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
59.01374	5.3
60.49662	1.0
82.48851	0.9
84.54258	1.1
90.47436	1.0
99.08140	4.6
116.67701	1.0
121.02937	1.2
125.09783	1.0
127.11315	1.8
129.09219	3.7
135.04462	0.9
139.11293	2.6
169.12361	5.0
171.10281	9.3
181.12387	2.6
183.13968	1.8
185.11853	1.6
187.12383	1.4
193.12379	2.4
197.11832	1.5
199.13455	9.4
200.04735	1.7
200.93167	1.0
201.11319	2.3
211.13400	12.9
229.14497	2.2
293.21057	3.1
311.12949	1.6
311.21838	3.5
329.09854	2.0
329.14029	6.5
329.23309	100.0
330.23618	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	330.033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.4
61.91743	0.8
62.65996	0.7
65.86784	0.9
69.03474	1.1
71.43829	1.2
78.91956	0.8
85.02967	1.9
93.03450	1.9
96.96017	8.7
97.93175	1.0
99.08173	1.2
99.92583	86.8
100.92599	3.7
100.93361	3.9
103.91253	1.1
115.92099	11.0
116.92097	1.4
116.92860	12.4
118.89977	100.0
119.90092	4.9
119.90707	5.1
127.11299	1.0
134.89503	8.2
135.90253	30.9
139.11305	0.9
141.93646	2.1
150.88948	1.6
171.10257	7.7
183.13905	1.0
191.05606	10.0
201.11317	0.9
211.13467	4.3
212.13675	1.6
229.14505	0.9
237.53304	0.8
243.09514	0.8
250.18286	0.9
260.99887	1.0
266.06113	1.4
276.04697	1.2
294.05658	35.9
295.05725	3.1
312.02145	1.4
329.23322	22.4
330.03308	84.6
330.13861	2.0
330.23581	7.5
331.03476	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	330.1194
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
58.12804	0.9
59.01376	17.2
61.50080	0.9
61.98827	3.3
70.82552	1.2
70.98895	0.8
71.01379	9.2
72.99303	1.0
73.02931	1.6
74.03792	0.9
74.96204	0.8
83.01374	1.7
85.02946	3.2
86.00103	2.8
87.00877	18.3
89.02444	3.6
95.82159	1.0
99.00868	1.7
101.02427	5.3
107.03767	2.1
108.02181	2.7
108.04604	0.9
111.00912	0.9
113.01783	0.8
113.02460	4.3
119.03517	1.3
120.19109	0.9
121.05370	4.6
122.03732	2.9
122.06119	33.7
123.04531	15.6
123.06469	2.0
129.01901	2.0
132.98210	2.4
134.06078	4.5
135.03239	2.3
136.04015	1.5
136.07668	16.9
137.07964	1.0
138.05609	1.8
146.06123	2.1
148.07722	1.9
149.04782	1.6
150.05606	100.0
151.04002	46.1
151.05966	3.8
152.07201	7.2
156.98074	1.2
158.99782	2.1
159.01494	1.9
159.03059	1.0
160.97646	1.2
161.04657	2.3
162.05606	2.9
164.07155	2.2
164.68106	0.9
168.06636	1.2
169.05058	23.4
173.01230	1.0
174.05554	2.1
174.99277	4.0
175.06361	4.3
176.07164	10.0
182.99577	1.3
184.97690	1.0
186.95540	1.6
188.00911	1.5
192.06615	1.7
194.08200	2.8
204.06674	3.0
222.07697	3.1
226.98720	2.4
240.96611	1.7
252.08913	2.0
267.63394	1.1
270.06668	1.1
270.97769	2.6
312.10886	55.4
313.11151	4.5
330.11932	35.3
331.06531	1.2
331.12427	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0671
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.96088	0.6
59.01383	0.9
69.03461	1.9
70.99258	0.7
71.01382	0.8
73.52683	0.6
79.01894	1.0
81.03462	1.2
97.02943	2.7
107.01383	1.0
108.02197	0.9
114.89574	0.6
123.00875	2.7
124.01664	15.7
125.02450	58.8
126.02793	1.8
149.99590	30.3
150.75702	0.6
151.00230	1.8
153.01932	1.5
167.03654	1.4
168.00645	60.5
169.01378	5.6
212.12198	0.7
313.05621	7.2
331.06689	100.0
332.07074	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	331.1034
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
59.01383	8.6
59.03091	0.8
69.54398	0.9
71.01369	6.5
80.83522	0.8
82.00600	1.1
84.00900	6.0
85.02941	2.9
89.02438	2.9
95.59421	0.9
101.02444	3.3
108.02170	3.8
110.00108	6.1
111.07043	0.9
113.02451	3.7
114.01978	1.3
119.03517	1.0
123.04563	1.4
125.02451	6.2
126.01875	1.1
126.05589	1.2
137.99556	9.9
139.00322	2.5
140.01208	1.0
151.03954	1.1
151.07600	1.2
152.01108	2.8
153.01936	100.0
154.02559	4.2
155.03470	3.3
161.04553	2.2
166.00937	1.2
167.03493	11.1
168.04282	52.3
169.05043	11.8
169.06293	1.8
169.08701	0.8
179.03571	0.9
181.03249	0.9
181.04927	0.8
188.81892	0.8
191.05457	0.9
209.04488	1.2
211.07190	3.0
243.03183	1.0
296.87128	0.9
331.06451	1.7
331.10388	6.4
331.13828	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1186
Annotation	Monocillin III
Peak:m/z	Relative Intensity
58.11511	0.6
59.01377	0.8
61.98832	1.1
66.36736	0.4
69.03453	29.9
69.24538	2.5
85.02942	0.6
93.03443	0.4
95.05040	2.1
107.05024	2.1
107.11420	0.5
108.02190	0.6
117.03487	0.6
119.52512	0.4
125.06064	0.6
133.02953	10.4
134.03766	6.8
135.04523	100.0
136.04843	4.0
137.02344	0.6
148.05299	0.9
151.07642	1.8
161.02443	36.7
162.02783	1.6
162.80969	0.5
168.43550	0.4
169.83322	0.5
173.06104	0.6
176.08127	0.5
179.03493	85.0
180.03815	3.8
191.05681	0.5
211.13605	0.5
261.07648	10.3
262.07950	1.1
267.37613	0.5
287.09192	1.2
303.12344	0.6
313.10748	3.0
331.11844	44.8
332.12100	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	331.1188
Annotation	Monocillin III
Peak:m/z	Relative Intensity
51.35477	0.4
55.34427	0.4
59.01382	0.8
59.65893	0.4
62.07285	0.4
63.35862	0.4
67.01899	0.9
69.03457	27.4
70.53356	0.6
91.05556	0.5
95.05039	1.8
107.05033	2.6
117.03476	0.5
125.06060	0.8
133.02959	10.3
134.03758	6.3
135.04529	100.0
136.04852	4.1
137.02486	0.9
148.05290	0.8
151.07642	1.6
161.02451	33.2
162.02802	1.5
179.03496	86.5
180.03818	3.8
200.13023	0.5
233.60548	0.5
235.23427	0.5
261.07690	8.4
262.08112	1.0
287.09235	1.0
313.10809	2.6
331.11853	44.2
332.12112	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	331.1187
Annotation	Monocillin III
Peak:m/z	Relative Intensity
50.05582	0.4
53.00370	0.5
54.36581	0.4
55.41619	0.4
56.81578	0.4
61.98836	2.4
69.03455	19.2
69.36063	1.0
69.36452	1.3
95.05019	3.1
98.21897	0.6
105.03507	0.6
107.05044	2.8
109.02909	0.8
117.03507	0.7
121.02969	0.7
125.06062	1.2
133.02950	14.3
134.03743	8.7
135.04526	100.0
136.04858	4.1
137.02443	0.7
142.28409	0.5
148.05344	0.9
151.07645	1.3
161.02443	42.4
162.02806	2.2
179.03500	77.5
180.03807	3.2
261.07666	3.7
287.09204	1.4
313.10812	4.4
331.11856	62.5
332.12155	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	331.1188
Annotation	Monocillin III
Peak:m/z	Relative Intensity
59.01374	0.8
67.01885	0.6
69.03453	27.3
69.20829	0.3
70.03799	0.4
87.00889	0.6
91.05563	0.4
95.05027	2.8
105.03442	0.4
107.05036	2.7
108.02161	0.5
117.03458	0.8
120.99630	1.5
125.06063	0.5
132.02106	0.4
133.02954	10.4
134.03761	6.8
135.04521	100.0
136.04823	3.7
137.02415	0.4
148.05258	0.7
151.07634	1.7
155.10757	0.5
161.02438	32.8
162.02777	1.5
163.03928	0.4
167.10750	0.4
173.06003	0.4
178.02625	0.4
179.03490	84.3
180.03833	3.7
181.04968	0.6
191.64926	0.4
209.11795	0.5
228.82918	0.4
242.29881	0.3
261.07651	8.4
262.08090	0.6
287.09326	1.0
303.12527	0.4
313.10800	2.8
331.11865	44.3
332.12256	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34746	0.4
59.01374	0.4
60.06844	0.3
69.03455	5.7
69.51020	1.2
71.01333	1.5
97.02950	30.2
97.06561	0.6
98.03287	0.6
108.02139	0.5
111.04480	1.0
125.06100	2.0
127.07635	0.5
152.00880	1.2
157.80379	0.3
178.02493	7.5
178.44208	0.4
191.03261	3.3
206.05482	0.5
209.21117	0.4
210.01401	2.0
219.06395	4.3
223.13162	1.0
233.07909	0.9
233.11559	1.3
234.08627	1.0
240.04059	0.4
261.11060	12.1
262.11844	100.0
263.12207	6.5
267.11813	0.4
294.10913	3.2
313.17822	0.9
331.18918	19.0
332.19156	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76138	0.3
59.01379	27.6
69.84349	1.0
71.01320	0.3
83.05030	0.5
98.22655	0.5
108.02166	0.4
157.02643	0.4
205.19611	1.3
216.98312	0.3
231.17474	1.2
247.17039	0.6
249.18591	100.0
250.18921	7.6
298.41388	0.3
331.18912	19.4
332.19281	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	332.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69978	0.6
54.23631	0.6
61.98830	100.0
69.03456	1.1
69.88667	1.2
69.88993	1.3
73.21099	0.6
101.02422	0.9
117.03493	1.0
135.04524	6.4
135.28549	0.7
136.04884	2.5
151.00418	0.8
161.02475	2.0
162.02838	1.4
179.03557	3.3
180.03905	2.5
262.08096	0.8
269.04568	6.4
321.64255	0.7
332.12241	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	333.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41230	0.5
56.56223	0.6
70.14367	1.3
85.33865	0.7
120.99657	100.0
121.99994	1.7
135.04489	1.7
136.04903	0.7
167.10774	68.8
168.11093	3.2
179.03465	0.8
180.03824	1.7
211.09744	12.1
214.12369	0.8
259.87546	0.6
260.69382	0.8
333.10168	2.0
353.14081	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
61.94773	0.5
65.08775	0.5
69.18504	2.4
77.33849	0.5
78.03479	0.9
80.05042	0.7
91.43665	0.4
92.05066	2.2
94.06612	4.5
104.05064	2.9
105.03455	2.0
106.06622	11.7
107.03755	2.0
108.04545	1.2
120.04567	4.6
121.05338	1.4
122.06128	16.3
123.03252	2.0
124.07693	1.4
131.03773	0.9
132.04541	8.2
135.03255	0.8
138.05609	22.2
140.07191	0.5
142.13193	0.5
148.04002	0.9
150.05618	3.3
174.12856	0.6
189.07947	1.2
197.07291	0.7
213.06618	1.0
215.11951	1.2
215.47005	0.4
217.07422	1.8
229.09749	0.7
231.09189	0.8
231.11401	1.1
241.09836	2.7
242.10158	0.5
243.11363	2.3
271.10855	1.2
289.11929	100.0
290.12277	9.2
333.10898	7.9
334.11328	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03042	0.7
59.01377	22.4
60.04145	0.6
69.83832	1.8
69.84179	0.9
98.21855	0.9
145.59932	0.8
180.99458	0.8
233.19052	1.5
251.20154	100.0
252.20496	10.3
259.51440	0.7
287.43600	0.8
333.20508	19.2
333.24271	1.0
334.20740	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	333.2071
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
53.10299	0.4
59.01375	0.8
61.98807	0.5
69.29032	0.5
69.43565	0.9
69.43961	1.4
87.00879	0.6
109.02943	3.4
110.03735	6.6
116.92829	0.6
122.66907	0.5
123.00867	0.6
123.65346	0.6
125.02415	2.2
137.02408	2.9
138.03226	10.6
142.02689	1.4
151.04002	1.4
152.04771	0.6
165.01926	1.2
166.02705	6.6
167.03453	0.6
179.03497	12.5
180.04276	3.0
193.05046	5.3
198.01701	1.3
207.06499	0.7
235.09711	1.4
236.10472	1.6
305.21262	5.8
306.21521	0.8
326.37787	0.5
333.20694	100.0
334.17105	0.7
334.21042	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	334.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82602	7.2
59.56251	7.3
69.78064	27.3
70.19705	7.1
87.43340	7.2
98.21959	14.7
102.19173	7.7
114.32449	8.3
114.92790	9.4
118.78357	7.5
165.12837	15.1
185.47511	8.4
247.20595	11.7
251.16570	7.1
291.19653	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	335.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	1.3
59.01381	100.0
63.41216	0.9
69.76509	2.7
71.01382	45.3
72.99289	2.4
73.02954	3.4
83.01379	3.3
85.02951	9.0
87.00858	1.6
89.02444	47.3
95.01372	3.3
99.00867	1.3
101.02437	31.9
111.08134	1.9
113.02450	18.8
119.03501	24.8
131.03545	2.1
136.07710	1.1
149.04462	2.2
151.78226	1.2
155.07127	6.5
161.04568	2.5
173.08157	4.3
177.63574	1.0
179.05600	3.1
180.31934	1.0
192.95828	1.1
209.16605	1.0
335.13464	97.6
336.13815	7.4
357.47876	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10416	5.7
55.11757	6.5
59.01385	77.4
67.10781	5.3
69.82281	13.9
69.82610	6.0
78.38250	6.1
93.16486	5.3
98.22495	7.1
99.00652	14.1
99.92586	9.1
151.08977	5.4
253.21692	100.0
254.22089	12.6
296.32886	6.0
299.25919	7.0
335.22061	87.1
336.22253	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	335.2227
Annotation	PGB1
Peak:m/z	Relative Intensity
50.69014	0.9
57.82896	1.0
61.12066	1.0
61.98813	1.0
79.19145	1.0
81.95827	1.1
98.56099	1.0
107.17692	1.0
107.61554	1.0
162.72322	0.9
164.99255	0.9
239.10539	1.0
289.21750	2.9
317.21249	2.8
335.22266	100.0
336.22623	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	336.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75362	20.3
59.01354	26.5
59.08805	16.1
62.25593	17.9
69.37067	100.0
79.24686	18.4
86.00368	16.6
91.53364	21.2
96.96014	25.9
138.78818	19.7
140.20656	19.1
200.28496	19.6
241.83224	20.9
245.56885	16.9
293.21063	25.7
319.22641	76.5
337.23868	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.9399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70064	0.5
59.01381	1.7
65.33364	0.5
69.42784	1.9
96.96015	3.1
98.22642	1.1
105.30602	0.5
110.29166	0.5
110.90330	0.5
119.93742	1.7
134.96088	28.3
135.91562	0.8
135.96149	2.0
136.94008	73.1
137.94057	4.2
151.92714	4.0
152.91762	33.1
152.93021	1.3
154.22609	0.6
167.90488	3.4
170.92804	0.9
173.30307	0.6
174.89833	0.6
178.95056	100.0
179.95177	6.7
194.92819	51.5
194.95467	1.0
195.93094	1.0
210.90770	2.2
212.93887	3.5
225.90375	1.1
247.87148	22.8
248.34540	0.6
248.37175	13.6
248.87012	11.6
250.93927	2.4
252.91840	3.7
256.85632	0.6
256.87674	27.5
257.87708	3.9
274.88733	75.0
275.88803	13.0
276.86627	0.9
287.84988	38.3
288.35037	22.4
288.84882	19.9
292.95029	8.8
293.95084	1.1
294.85367	1.2
294.92880	17.7
295.92969	1.1
307.83838	0.9
316.84451	1.4
336.83377	16.4
336.93970	87.8
337.83313	4.2
337.94125	10.7
354.84387	23.1
355.84393	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	337.0695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	65.4
66.89915	3.5
68.08475	3.3
69.60787	13.0
71.01382	20.3
84.95003	3.1
85.02934	7.7
87.00854	3.8
89.02435	11.1
93.03468	7.2
96.95984	3.0
101.02423	11.4
111.04499	6.4
113.02421	5.8
119.05029	50.1
121.02916	4.3
123.00790	3.7
136.02603	3.2
136.93997	10.4
138.01883	5.0
139.04002	86.3
140.04350	3.7
152.91666	4.3
163.02690	6.4
163.04001	100.0
173.04466	5.1
176.07162	8.1
178.95024	9.7
191.05571	19.2
192.95795	4.1
194.92760	7.8
194.95555	9.9
208.09717	4.0
208.93686	4.0
277.12845	4.0
279.18323	3.6
294.93484	7.5
301.09253	22.8
336.94147	10.7
337.11310	3.8
337.14828	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	337.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
59.01371	1.3
60.99307	1.4
67.01894	3.4
69.03453	1.0
69.33404	1.8
71.01376	1.3
71.36421	0.4
81.03455	1.2
83.05016	0.8
85.02951	4.9
85.11894	0.4
86.48528	0.4
87.00874	6.5
93.03461	22.9
94.03799	0.9
94.66030	0.3
99.00886	0.6
109.02972	0.7
111.00906	0.7
111.04530	3.7
113.41349	0.4
119.05029	9.8
127.04020	1.6
129.01965	0.9
137.02518	0.7
138.81250	0.4
145.02950	1.4
155.03491	1.1
159.19389	0.5
163.04008	9.4
164.04349	0.6
173.04552	16.3
174.04886	0.4
191.05614	100.0
192.05936	3.3
269.11810	0.4
337.09204	4.4
338.09848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50121	0.4
58.60531	0.5
59.01365	1.3
60.99301	1.6
67.01891	4.4
69.03442	1.7
69.48740	1.4
71.01381	1.4
81.03453	0.9
83.05024	1.2
85.02940	6.2
87.00883	7.0
93.03464	25.0
94.03799	0.8
98.22604	0.9
109.02978	0.7
111.04524	4.7
119.05033	10.6
127.04002	1.5
129.01964	0.7
132.68594	0.5
137.02408	0.6
145.02969	1.5
155.03534	1.1
163.04012	8.3
173.04544	16.7
174.04868	0.5
191.05615	100.0
192.05946	3.5
314.36948	0.6
337.09354	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	337.0929
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03443	0.2
59.01371	1.0
60.99300	0.3
67.01890	0.6
69.03430	0.2
69.14886	0.6
69.15292	0.6
71.01379	0.8
81.03429	0.3
83.05032	0.5
85.02953	6.4
87.00883	2.0
93.03461	4.0
98.22692	0.5
109.02974	0.5
111.04534	1.5
116.58511	0.2
117.03472	0.2
119.05035	1.6
127.04041	2.0
145.02939	0.9
163.04045	1.5
171.03043	0.4
173.04547	1.9
191.05617	100.0
192.05946	3.8
193.86153	0.2
220.13463	0.3
225.23511	0.2
311.70502	0.2
337.09357	2.8
338.09723	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03423	0.7
59.01374	2.0
60.99311	0.3
61.53508	0.3
67.01884	4.1
68.22395	0.3
69.03443	1.0
71.01384	3.2
72.68592	0.3
81.03468	0.7
83.05024	0.9
84.78750	0.3
85.02946	2.2
87.00878	0.5
92.34557	0.3
93.03456	23.6
94.03794	0.6
99.04513	0.3
109.02954	1.0
111.00866	0.8
111.04517	4.7
113.02449	0.4
119.05029	17.1
120.05379	0.9
123.72173	0.3
123.73147	0.3
127.04048	0.6
135.04492	0.4
137.02446	3.8
143.03528	0.3
145.02898	0.4
155.03500	4.9
161.02438	1.0
163.04004	18.1
164.04341	0.9
173.04544	100.0
174.04880	3.1
179.03508	0.4
191.05618	10.9
192.06070	0.3
247.02783	0.3
301.31949	0.3
337.09146	4.5
337.12335	0.4
337.23828	0.4
338.09402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01707	0.7
60.63590	0.7
64.80155	0.8
70.27789	2.0
71.01385	10.1
73.02962	1.4
77.35944	0.7
78.95955	0.7
83.01402	1.5
85.02974	2.7
86.49416	0.7
87.00829	1.0
88.73707	0.6
89.02443	9.6
92.33721	0.7
95.01455	0.8
97.02956	0.7
98.22432	1.0
99.00880	1.5
101.02444	6.2
111.02057	1.1
113.02420	3.5
115.04013	28.0
116.04369	1.0
119.03519	2.8
119.05047	1.0
126.46814	0.7
136.94038	1.7
143.03487	1.0
161.04585	5.4
163.04041	2.2
178.95091	2.2
179.05606	1.6
194.95581	1.3
254.75745	0.9
277.09293	25.2
278.03506	1.0
278.09753	1.6
294.93933	1.8
315.66699	0.7
336.94159	1.6
337.07742	1.8
337.11514	1.3
337.15384	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
64.54034	0.5
69.36955	1.4
69.37345	1.2
71.01381	6.1
73.02956	0.6
85.02956	2.0
89.02454	9.9
101.02462	4.2
113.01732	0.6
113.02413	2.8
119.03551	2.5
119.05003	1.6
124.64606	0.6
137.02524	0.9
143.03557	0.8
161.04558	0.8
163.04108	2.1
173.04568	0.6
176.07254	0.7
179.05542	2.6
191.05621	3.6
197.27892	0.6
208.09802	1.0
277.12939	1.1
337.09286	0.9
337.15222	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	337.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60195	9.0
57.03442	18.6
59.01377	31.3
61.98851	15.5
67.01888	23.1
69.14282	9.8
71.01389	9.2
71.05028	65.3
81.03448	25.2
83.05035	12.1
95.05013	14.8
97.02945	10.8
97.06599	55.5
106.04211	12.1
111.04542	16.8
121.11578	9.7
125.09739	100.0
135.08168	93.7
137.06110	52.3
138.68614	12.4
151.07635	29.7
157.08684	32.1
164.71805	11.0
185.11821	18.8
211.13301	10.9
244.95105	11.2
249.14929	31.7
251.12111	11.1
265.11853	10.2
265.14413	36.6
287.16586	18.0
291.19595	21.3
305.17468	63.5
309.20743	64.0
329.45734	9.9
337.20139	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	11.6
61.98820	5.5
65.10280	4.8
69.33025	19.2
78.12517	4.3
87.94553	4.8
94.95777	4.7
96.55643	4.2
96.96000	4.7
98.22752	5.0
111.08151	9.2
160.00542	5.7
189.12776	6.6
195.13881	5.5
225.14844	24.6
226.15355	4.9
235.16975	15.2
239.09207	6.3
243.17479	21.4
261.18616	5.7
275.20132	24.1
285.67386	4.5
287.16550	20.5
291.19705	9.9
293.21170	32.2
294.21503	6.8
305.17603	100.0
306.17978	11.8
309.20709	7.1
319.22891	9.6
337.20294	6.7
337.23825	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.202
Annotation	Monacolin J acid
Peak:m/z	Relative Intensity
55.72738	3.6
59.01358	9.1
61.98820	4.6
69.26843	7.6
69.27240	16.0
83.05024	7.2
93.03499	4.9
95.05037	12.7
96.95970	5.1
97.02986	5.0
97.06560	6.5
99.04519	6.0
107.05022	50.9
109.06554	5.8
111.04465	5.1
123.04509	17.9
125.02438	8.8
125.06087	30.3
125.09737	24.6
135.08141	21.4
137.06075	14.0
153.09216	24.8
160.59056	4.0
163.11211	8.0
176.08461	4.9
185.11797	18.4
189.09103	5.9
191.10756	17.9
192.95863	5.8
197.11816	9.9
207.10269	5.8
217.12383	9.1
223.13103	4.5
239.12866	5.6
239.16499	9.7
243.17488	29.8
261.18488	7.3
263.16571	5.5
267.12344	9.5
275.12872	4.1
287.16565	43.8
293.21481	4.2
300.52353	4.0
305.17490	38.0
308.70520	4.1
319.19125	100.0
319.22507	14.7
320.19278	12.4
322.17844	19.0
337.16013	6.8
337.20071	43.5
337.23755	8.2
338.20566	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	337.238
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
52.16850	2.4
59.01379	4.1
61.01012	2.7
70.75749	2.8
73.46436	2.2
75.39172	2.6
83.14043	2.0
111.08171	41.2
127.07597	2.3
140.37799	2.1
197.15483	8.8
207.14021	2.5
209.15311	2.5
225.14951	100.0
226.15378	5.0
227.16531	5.3
239.16611	13.9
275.20200	8.0
287.30661	2.4
291.23328	6.5
293.21167	3.0
298.22070	2.8
301.21408	2.6
306.08389	2.3
319.22769	24.9
320.23062	2.9
337.23868	45.4
338.24252	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	337.2386
Annotation	11-deoxy-PGE1
Peak:m/z	Relative Intensity
53.27921	0.5
59.01375	1.5
60.25288	0.5
61.98817	1.2
69.24988	1.2
69.25398	1.5
71.95434	0.5
74.35529	0.5
74.75481	0.5
85.06586	2.5
97.06623	0.7
107.49388	0.6
111.07162	0.6
127.11275	0.5
141.19513	0.5
153.09210	0.6
165.12843	1.1
171.10271	8.0
191.05638	1.2
194.95715	0.6
200.68098	0.5
223.17052	0.6
233.15416	0.9
251.16533	17.7
252.16904	1.9
319.22775	7.2
337.23840	100.0
338.24222	12.7
355.07953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23140	0.8
59.01380	8.4
59.82103	0.9
63.69074	0.9
69.03453	7.1
69.09742	4.1
71.05019	4.2
83.58471	0.8
85.02962	4.0
95.05038	2.5
108.04571	2.6
122.02494	8.5
128.03522	2.0
128.10884	0.9
130.06639	1.5
130.08704	2.2
131.03755	2.9
146.06129	8.1
158.06104	2.7
174.12946	1.5
176.07144	3.9
178.08800	1.2
188.10765	1.6
191.05716	1.3
208.09789	100.0
209.10080	5.2
218.11894	1.4
266.52420	1.0
276.12488	0.9
294.13480	30.9
295.13736	2.2
309.07791	2.0
320.11182	1.1
338.12448	72.9
339.12692	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	338.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97220	0.8
59.01385	11.8
69.03458	1.8
69.12341	5.1
78.03477	2.0
84.04525	1.3
85.02951	5.4
90.21985	0.9
92.85404	0.8
99.05225	0.8
99.80592	0.8
99.81310	0.8
103.00286	0.8
104.43065	0.9
108.04556	8.0
112.04044	1.0
120.08179	1.6
120.76152	0.8
122.02481	69.1
123.02789	2.0
128.03522	2.3
130.06631	1.0
130.08737	2.4
132.08224	0.8
136.04059	1.6
136.07680	1.2
146.06100	8.4
157.05389	1.0
158.06107	6.6
164.07133	1.8
176.07164	10.3
178.08731	1.2
188.10837	2.2
208.09770	58.1
209.10080	3.1
218.11922	2.0
237.18506	0.7
263.43985	0.8
268.29147	0.9
272.84442	0.8
294.13470	38.6
295.13663	4.2
320.11374	1.4
338.12427	100.0
339.12711	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	339.072
Annotation	AESCULIN
Peak:m/z	Relative Intensity
55.50546	0.2
56.68470	0.2
69.32798	0.4
69.33189	0.9
69.53402	0.2
81.03436	0.3
89.03983	1.9
98.21891	0.5
102.17233	0.2
104.02662	0.6
105.03469	2.9
108.10383	0.2
117.78246	0.2
120.51305	0.2
127.45837	0.2
133.02960	8.2
134.03223	0.4
144.60683	0.2
148.01665	0.8
149.02451	0.8
155.65166	0.3
176.01128	1.8
177.01927	100.0
178.02254	4.6
226.61661	0.3
339.07208	9.8
340.07504	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
69.50869	0.7
69.51247	0.4
71.01368	0.2
81.03472	0.5
89.03979	1.7
94.86837	0.2
104.02664	0.3
105.03458	2.8
123.04551	0.3
133.02962	8.7
148.01671	0.5
149.02437	1.1
176.01134	1.7
177.01932	100.0
178.02274	5.3
339.07202	12.6
339.10373	0.2
339.11496	0.3
340.07626	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93158	1.3
55.75910	1.7
57.03451	1.9
59.01378	100.0
60.01703	1.5
69.96539	2.8
71.01380	33.9
73.02940	7.6
82.69570	1.3
83.01394	2.6
85.02947	9.1
87.00895	6.3
87.04517	1.7
89.02446	37.7
98.22633	1.8
99.07024	1.6
101.02439	31.1
106.50384	1.3
113.02447	16.7
119.03495	15.3
123.82684	1.6
131.03514	6.0
143.03476	4.0
147.11072	1.5
149.04475	1.5
161.04558	14.4
179.05612	14.3
189.07642	2.6
190.76836	1.4
195.61345	1.3
279.10876	15.9
293.08688	7.5
301.00760	1.4
339.13086	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	339.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.1
56.80550	0.6
57.03428	2.7
58.00583	0.9
58.85968	0.7
59.01377	35.4
70.62138	0.8
70.79668	1.1
71.01380	33.0
72.01693	0.7
72.99301	0.8
73.02554	1.4
73.02945	26.3
75.00858	2.2
83.01385	6.4
85.02946	19.5
86.00136	0.9
87.00895	3.9
87.01375	0.6
89.02444	10.2
95.01390	2.1
97.02922	2.0
99.00878	6.5
101.02444	54.0
102.02756	1.2
108.78944	0.8
111.00871	1.3
113.02456	19.0
115.04019	1.6
119.03486	1.0
119.43698	0.7
119.56470	0.7
125.02435	2.1
129.01904	1.2
131.03491	1.7
143.03461	1.9
149.04562	1.0
159.02957	3.3
161.04552	12.7
177.01891	2.1
207.08728	100.0
208.09053	4.1
233.06627	1.8
339.12924	67.2
340.13318	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	339.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15037	1.5
55.08758	1.6
70.21453	2.0
72.99308	3.1
81.06070	1.7
97.06586	6.7
111.54308	1.6
119.17648	1.5
124.88803	2.2
125.06077	16.9
143.07140	71.0
151.11279	13.3
158.55142	1.5
164.53307	1.6
169.12341	91.9
170.12781	4.5
171.10303	2.4
206.93712	1.7
213.11314	100.0
214.11647	6.2
237.14960	3.9
254.85721	2.0
262.65591	1.8
311.22400	2.8
321.20590	3.0
339.18198	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	339.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	9.2
59.01378	5.5
69.03451	4.9
69.51432	9.7
71.01379	2.5
71.05021	44.7
78.53408	2.9
81.03468	26.6
83.01406	2.6
83.05043	5.2
84.02217	2.1
85.02946	2.2
93.03470	6.0
95.05033	26.3
97.02952	2.4
97.06570	12.4
98.71066	2.2
106.04310	2.3
107.05013	2.5
108.02203	5.5
109.02915	2.3
109.06593	3.7
110.03738	17.0
111.04517	23.0
121.02950	3.3
121.06570	6.4
122.03760	5.9
123.04560	5.7
123.08175	21.6
125.06071	5.1
125.09731	74.9
126.10017	3.6
133.06587	10.4
136.05264	2.8
137.06082	9.9
139.07646	6.8
145.65245	2.4
149.06091	8.1
151.07660	35.3
165.09219	2.6
167.07126	39.0
171.10262	24.3
173.04553	3.9
174.06883	5.2
185.11812	5.1
187.09790	3.9
197.11917	3.7
199.09834	2.9
199.13322	3.4
201.11320	8.2
205.12379	5.0
209.11920	3.2
213.11407	13.5
215.12877	100.0
216.13174	4.2
227.12756	2.6
237.25102	2.2
249.11272	17.4
259.17111	3.9
265.14447	19.1
277.18054	5.3
285.14954	47.7
286.15347	3.8
303.16019	90.6
304.16470	10.4
321.17056	51.2
322.17535	2.5
339.18146	11.2
350.40155	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	339.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	3.4
59.01373	3.5
69.03435	3.5
69.08311	17.5
71.05023	15.2
80.02680	3.0
81.03454	10.1
82.81065	2.2
83.05029	17.7
84.02187	5.2
85.02947	5.5
85.06567	4.9
86.25278	2.3
93.03465	4.2
95.05029	55.2
97.02950	15.3
97.06587	10.0
99.04547	4.9
107.05027	5.6
108.02177	8.4
109.02910	4.3
109.06580	7.8
111.04533	16.5
112.01662	3.2
113.02460	3.0
113.06061	7.2
121.02956	3.4
121.06643	2.7
122.03721	6.8
123.04532	31.4
123.08215	5.8
125.06059	3.7
125.09707	21.5
129.05493	2.5
135.04510	8.8
135.08141	5.4
136.05307	5.2
138.03244	2.6
141.05562	6.8
149.06053	4.5
151.07645	13.4
163.11237	14.3
165.12790	3.8
168.12538	2.5
171.10249	7.7
174.06825	8.1
175.07533	3.4
175.98515	2.3
177.05577	8.2
181.12349	10.8
181.13881	2.2
185.11806	15.0
191.10927	2.8
194.86763	2.3
197.11800	14.7
207.10240	31.0
209.11818	96.6
210.12239	4.3
211.13382	6.9
219.10170	5.0
221.11722	2.9
225.11311	42.3
237.11261	8.9
255.12331	6.6
257.15491	2.8
263.12878	2.9
265.14407	5.2
275.16571	2.4
277.18011	5.2
285.15015	18.7
303.16019	100.0
304.16342	6.7
321.17050	82.5
322.17419	11.0
339.18097	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	339.1997
Annotation	NORETHINDRONE ACETATE
Peak:m/z	Relative Intensity
50.02858	0.4
50.18146	0.4
50.18399	0.5
52.80233	0.4
68.16855	0.4
79.95737	1.2
92.84937	0.4
101.14469	0.4
119.05026	0.7
148.60181	0.5
149.09755	1.2
154.64357	0.5
155.52098	0.5
170.00473	2.0
177.01988	0.5
177.12851	0.5
183.01205	49.6
184.01688	2.4
197.02771	5.2
198.03468	0.7
225.05986	1.0
239.07457	1.4
339.19974	100.0
340.20297	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	339.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75526	2.8
55.54725	3.3
57.03444	6.6
58.40603	3.2
59.01374	10.2
61.98833	4.4
69.34669	13.2
71.01399	6.3
83.05042	3.9
86.68086	2.5
88.49902	2.7
97.06596	18.5
109.06576	3.2
111.08171	5.6
113.32023	3.0
113.83022	2.9
123.04516	4.6
125.09666	3.1
149.09721	3.4
151.11284	23.1
153.12921	3.9
155.10738	5.1
155.78943	3.1
163.11270	5.1
165.12816	26.9
167.10736	5.0
177.02057	5.3
179.10770	8.3
181.12326	37.9
182.12650	5.8
191.10739	11.8
197.11752	4.4
209.11835	100.0
210.12312	4.3
211.13412	7.5
227.12787	3.5
241.14581	4.2
245.19118	16.1
254.85506	3.9
263.20190	4.3
271.16977	4.5
279.19678	3.0
289.18076	25.2
307.19135	47.7
311.22159	4.9
330.95584	3.7
339.21719	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	339.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	7.9
59.01389	7.6
60.81428	4.2
63.54580	3.8
66.00533	3.6
67.22381	3.8
69.34952	20.5
71.01380	9.2
73.56770	3.4
76.80418	3.8
84.01279	3.9
86.88567	4.1
88.62849	4.6
89.67904	3.5
97.06570	22.9
98.21870	7.1
102.29861	3.6
111.08141	8.2
125.09738	5.8
126.75947	4.8
151.11298	17.6
153.12886	4.7
155.10803	4.4
158.78751	4.3
163.11282	8.2
165.12860	28.7
167.10706	5.0
179.10796	7.9
181.12361	45.4
185.11830	7.7
191.10785	17.7
209.11803	100.0
210.12241	6.1
211.13412	11.8
213.14908	4.5
245.18991	22.8
261.18390	4.0
263.20114	4.9
271.17154	3.9
279.19702	4.4
289.18100	21.9
307.19199	31.4
308.19339	5.2
324.87115	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2176
Annotation	3alpha-Hydroxy-3,5-dihydromonacolin L acid
Peak:m/z	Relative Intensity
55.92638	2.9
57.03455	5.6
59.01378	6.0
61.98815	3.7
65.03989	2.9
69.03471	3.2
69.28139	17.8
71.05016	46.2
71.31695	3.0
79.05504	4.6
81.03461	7.3
83.05065	3.2
89.13172	3.3
93.03452	6.2
95.05012	9.6
97.06599	7.6
98.22604	6.6
99.04503	3.8
103.23500	3.1
105.07068	4.1
106.04183	3.9
107.05025	10.3
109.06588	8.4
111.08125	4.8
116.90521	4.3
121.02927	3.3
121.06578	7.2
123.08160	9.2
125.09725	20.2
135.08122	4.0
137.06017	3.4
137.09717	4.0
151.07671	5.7
151.11282	9.3
152.08437	11.2
167.10767	11.5
171.10268	100.0
172.10637	4.3
185.11913	8.1
209.11981	3.3
211.13408	7.0
223.13524	3.6
233.15421	5.9
235.13458	4.2
237.14906	6.0
247.13443	4.4
289.18121	12.4
303.16000	4.4
306.18423	3.8
321.17120	4.3
321.20657	54.0
339.18011	6.7
339.21738	63.8
340.22055	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	339.2327
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
69.63280	0.3
69.72729	0.7
77.81226	0.3
98.35892	0.3
108.35895	0.3
147.08125	0.5
163.11290	100.0
164.11607	3.5
259.28561	0.3
339.23276	55.3
340.23645	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	340.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	71.8
61.98829	8.7
63.48533	7.8
70.95981	11.4
70.96348	7.4
71.01377	30.1
71.05009	24.4
78.49049	6.4
81.03430	8.3
83.05025	14.4
85.02940	10.5
86.90324	7.7
89.02441	35.4
94.60081	6.8
95.05034	36.0
97.06580	14.2
101.02418	9.1
107.04973	12.5
109.06576	25.6
119.03493	7.9
125.09676	12.5
135.08199	9.1
143.07143	15.6
151.11238	8.3
165.90863	7.5
171.10291	40.9
179.05609	16.9
185.11847	18.2
189.13022	8.3
197.11816	12.3
211.13393	10.5
219.17389	7.5
223.13397	9.6
263.16516	90.6
279.19696	22.9
305.17459	14.1
341.10727	20.8
341.19559	100.0
341.23300	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	31.0
59.33522	1.0
60.72533	1.0
69.37364	3.2
69.37778	2.6
70.72497	1.1
71.01376	12.1
79.41237	1.3
81.66844	1.2
85.02908	1.7
89.02441	8.4
98.22648	1.9
101.02441	4.8
101.78277	1.1
113.02419	3.3
119.03515	2.6
133.02954	18.9
133.70494	1.2
134.03767	8.1
135.04524	91.7
136.04825	3.5
137.02444	1.5
143.53874	1.1
148.05280	2.7
149.06076	13.9
161.02443	70.0
162.02812	4.2
177.05563	29.2
178.02713	1.3
179.03493	100.0
180.03821	4.6
189.05571	1.7
203.03513	2.7
221.04552	39.5
233.04587	1.8
251.03105	1.9
251.05609	36.5
252.05852	3.2
281.06659	62.4
282.06976	4.9
341.08600	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	341.0876
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
50.69156	0.8
59.01110	1.4
59.01381	15.9
59.19296	0.8
64.67780	0.9
69.82539	2.5
71.01385	9.3
85.02956	1.1
89.02450	5.4
101.02441	3.3
107.05008	0.9
113.02447	2.2
117.03487	0.9
119.03492	2.0
133.02974	10.4
134.03775	7.6
135.04526	81.6
136.04884	4.4
137.02460	1.3
148.05305	2.8
149.06076	8.2
161.02449	46.3
162.02814	2.6
177.05576	17.9
179.03502	100.0
180.03809	4.4
189.05536	2.0
203.03523	1.7
221.04562	29.1
222.04903	1.7
229.38774	0.8
233.04613	2.0
251.05623	30.3
252.05948	2.2
281.06653	61.5
282.06921	3.5
323.07538	1.0
341.08612	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	341.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62667	0.5
59.01377	12.1
65.77212	0.5
69.78719	1.8
71.01391	6.2
84.06985	0.5
85.02976	0.7
89.02446	5.1
99.39883	0.5
100.41843	0.5
101.02444	2.9
104.67555	0.5
107.05039	0.7
109.02991	0.7
113.02486	1.7
117.03458	0.5
119.03490	1.1
133.02960	6.6
134.03761	4.1
135.04530	89.0
136.04858	4.1
136.92194	0.6
137.02377	0.9
148.05315	1.0
149.06111	4.1
161.02452	22.7
161.06027	0.6
161.43791	0.5
162.02754	1.1
176.16040	0.5
177.05595	7.4
178.93307	1.0
179.03502	100.0
179.41833	0.5
180.03818	4.7
189.05531	1.2
203.01393	0.5
203.03363	0.8
215.14841	0.6
221.04556	10.9
222.04912	0.9
233.04613	1.7
251.05608	12.1
252.06009	1.2
281.06668	18.5
282.06940	1.2
341.08609	12.1
341.99637	1.0
342.08978	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0876
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
59.01380	4.7
60.62910	0.3
69.35968	1.8
71.01382	3.4
72.97524	3.3
74.82487	0.4
75.00860	0.6
85.02956	0.9
86.01129	0.3
87.00893	0.5
89.02441	3.4
101.02457	1.6
107.05055	1.1
113.02462	1.1
119.03500	1.6
119.05044	0.4
132.09061	0.3
133.02975	0.7
134.03787	2.9
134.97583	0.9
135.04526	99.8
136.04834	4.7
159.17577	0.3
161.02426	0.9
173.04475	0.5
177.04007	1.2
177.05510	0.8
179.03496	100.0
180.03818	5.2
195.05063	1.3
221.04517	0.9
251.05670	0.4
281.06601	0.9
341.08643	16.7
342.09152	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
56.07906	0.4
57.03446	1.6
57.57861	0.4
58.00594	1.1
59.01380	100.0
60.01720	0.9
62.18893	0.4
63.21716	0.4
70.93525	0.5
71.01383	54.6
72.01752	1.1
72.99318	1.0
73.02953	1.8
75.00891	0.5
75.58402	0.4
77.91362	0.5
80.13068	0.4
83.01402	1.5
85.02948	8.6
87.00864	2.6
89.02446	61.5
90.02773	0.7
93.20023	0.4
95.01395	3.3
97.02891	0.5
101.02445	25.1
102.02791	0.5
107.03542	0.5
113.02451	19.1
114.02824	0.5
119.03508	21.5
120.03815	0.6
125.02478	0.6
131.03479	3.0
139.91641	0.5
143.03510	5.6
149.04570	2.7
161.04568	6.4
179.05623	25.8
180.05997	0.9
211.09885	0.4
228.80411	0.5
341.10873	34.0
342.11273	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	341.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50851	0.6
55.01871	1.0
55.34552	0.6
57.03447	1.3
58.00591	0.9
59.01379	100.0
69.49319	2.1
69.49705	1.3
71.01381	55.6
72.01717	1.2
72.99317	0.8
73.02946	1.8
83.01405	1.6
84.02205	0.6
85.02953	7.8
87.00880	2.6
89.02445	63.7
90.02779	0.9
95.01382	3.1
101.02445	23.1
113.02451	19.1
119.03506	18.0
131.03529	2.1
143.03484	3.5
149.04591	1.7
150.34343	0.6
161.04576	4.7
179.05600	18.6
341.10861	24.7
342.11246	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	341.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
55.60163	0.9
57.03436	1.1
58.00578	1.1
59.01377	100.0
60.01696	1.4
62.70459	0.8
70.63900	1.1
71.01379	58.8
71.89195	0.9
72.01714	0.9
73.02939	2.0
78.22346	1.0
85.02928	6.7
87.00887	1.6
89.02443	80.4
90.02757	1.2
95.01371	2.6
101.02439	26.1
113.02443	24.1
119.03499	23.9
131.03470	4.2
142.75433	1.1
143.03493	7.1
149.04556	3.6
161.04591	7.0
179.05600	25.9
182.89491	1.1
341.10825	34.4
342.11163	2.0
358.55283	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15726	4.9
57.50533	5.1
59.01381	38.0
69.03453	4.9
69.12111	5.0
69.46493	11.3
69.46880	9.1
71.01382	100.0
73.02930	6.2
79.44732	4.7
81.03450	7.4
83.05013	10.2
84.02146	7.2
84.19182	4.4
88.76871	4.5
89.02438	10.2
94.81699	5.1
97.02962	20.0
97.06564	24.5
102.94938	4.4
104.18453	4.6
109.06583	81.4
110.03735	10.5
111.04592	7.2
121.06594	6.9
125.09690	4.6
135.08168	12.7
136.05255	6.3
142.02718	6.3
155.10756	5.6
163.11295	46.5
171.10275	10.0
179.05571	5.2
181.12358	18.7
185.11777	5.3
188.59335	4.5
199.09709	11.0
207.10246	95.6
225.11299	18.7
226.11583	5.4
287.93518	5.5
341.10965	9.8
341.23340	9.3
341.27054	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	341.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.3
59.00254	0.8
59.01383	4.6
69.03459	1.2
69.34473	3.1
71.01379	9.6
71.05032	6.9
73.02946	2.1
80.02689	2.2
81.03449	3.0
83.05038	7.5
84.02168	3.2
85.02959	3.0
89.02450	2.6
93.03432	1.2
95.05039	6.8
97.06579	3.9
98.22636	1.8
99.04510	1.7
107.05072	2.4
108.02169	1.4
109.06572	2.1
109.79465	0.8
110.03734	2.3
111.08180	1.4
112.38383	0.8
113.06061	1.8
122.03732	1.7
122.82112	1.0
123.08169	1.0
125.06099	10.0
125.09684	4.4
135.08130	1.9
137.06078	4.1
139.07700	0.9
141.12903	0.9
146.77420	0.9
153.12799	0.8
155.07149	2.0
163.11314	6.3
165.12851	3.5
171.10268	2.3
177.12830	1.0
181.12332	1.7
185.11832	22.0
191.10797	2.0
197.11835	19.7
198.12239	1.1
201.11325	1.1
209.11835	100.0
210.12164	7.7
221.11880	5.5
221.15562	0.8
227.12892	13.8
233.11934	0.8
235.13492	1.7
237.14886	1.4
239.12859	7.0
247.13426	1.0
249.14828	0.8
251.12877	6.6
253.14386	2.8
257.13922	2.7
265.14487	5.8
281.07034	1.0
287.16483	2.4
305.17575	10.9
323.18637	11.6
341.09500	0.8
341.19669	21.1
342.19946	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	341.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.7
59.01375	3.4
60.40108	0.8
67.37905	0.7
69.03450	1.6
69.10880	4.9
71.01385	3.6
71.05032	3.5
73.02940	0.8
78.31661	0.6
80.02683	1.7
81.03445	4.0
83.05035	9.2
84.02163	2.5
85.02956	1.8
85.06586	1.0
87.04523	1.1
89.02438	1.2
93.03465	1.9
95.05031	7.7
97.06593	1.9
107.05048	1.1
109.06582	2.3
110.03767	1.2
111.04520	4.5
111.08223	1.0
113.06080	5.5
119.86192	0.7
123.04498	0.7
125.06082	5.9
125.09718	2.9
127.07568	0.7
135.08170	1.0
137.06084	2.3
141.12837	0.7
151.07663	2.1
153.09177	0.9
163.11316	5.8
165.12840	3.2
169.08766	0.9
171.10291	7.7
185.11844	10.5
191.10956	1.3
197.11818	8.7
201.11279	3.5
209.11839	100.0
210.12123	5.6
213.11360	1.5
221.11844	2.5
223.13445	2.0
227.12900	12.7
228.13019	1.0
235.13414	1.5
239.12863	2.9
239.55949	0.7
251.12869	3.7
253.14346	1.2
257.13943	1.2
265.14511	2.5
287.16495	1.8
305.17554	6.6
318.69720	0.9
323.18640	6.4
341.19675	18.4
342.19922	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.9
57.03440	3.0
58.00596	0.9
59.01378	12.0
61.47263	0.9
69.03445	3.4
70.13771	2.4
71.01381	5.4
71.05017	15.2
74.89064	0.8
77.74448	0.8
80.02643	1.3
81.03458	39.3
82.03793	1.0
83.01385	1.6
83.05026	32.5
85.02946	2.6
89.02447	4.5
93.03453	24.8
94.03789	1.0
95.05028	6.8
96.02166	2.7
97.02943	4.2
97.06573	1.4
100.51488	0.8
101.02444	2.9
107.04999	2.9
109.02934	2.3
109.06595	6.3
110.03725	2.6
111.04521	95.1
112.04858	3.0
113.02476	1.0
119.03455	2.7
121.02945	0.9
121.06650	1.1
122.03760	4.5
123.04536	12.2
123.08157	3.8
125.09733	5.3
127.07638	2.1
127.11287	2.5
133.06604	2.3
134.03670	0.9
135.04556	4.6
136.05255	2.1
137.19998	0.8
139.07664	7.6
141.09172	1.1
151.07646	55.0
152.07970	2.5
153.09282	1.2
155.10768	1.3
161.02438	5.9
169.08699	39.5
170.09111	1.7
171.10271	100.0
172.10620	4.2
173.04530	2.4
179.03488	3.5
179.05602	2.3
185.11777	1.4
195.10208	1.4
199.09801	0.9
201.11319	20.5
207.46112	0.9
209.11772	1.3
213.11298	15.0
220.34360	0.8
225.62927	0.7
248.83377	0.8
251.05695	1.0
251.12859	5.8
281.06699	1.7
283.09741	1.2
287.16626	4.3
305.17670	5.3
311.09186	2.4
323.18600	5.3
326.11282	1.2
341.10767	2.6
341.14236	1.1
341.19641	15.6
342.20038	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80077	1.2
54.00779	1.5
55.01881	2.4
57.03443	2.1
59.01372	6.6
61.47338	1.3
69.03454	3.4
71.01385	2.8
71.05023	14.9
77.82767	1.5
81.03456	34.8
83.05025	33.3
85.02930	1.6
89.02441	3.2
93.03457	24.9
95.05028	7.7
96.02174	2.1
97.02967	3.3
98.21802	2.5
107.05024	3.8
108.02174	1.3
109.02976	3.2
109.06585	6.7
110.03741	2.4
111.04521	95.7
112.04883	2.5
122.03739	3.3
123.04530	11.6
123.08170	3.6
125.09747	2.5
127.07607	3.0
127.11298	3.2
133.06589	2.8
136.05328	1.2
139.07675	7.8
151.07649	51.9
152.07961	2.3
161.02512	1.3
169.08707	41.1
169.10074	2.9
171.10265	100.0
172.10649	7.2
179.03423	1.6
185.11916	1.8
201.11330	18.4
213.11346	13.9
213.22333	1.3
251.12888	5.8
265.14523	2.8
266.67764	1.4
287.16470	5.3
305.17639	5.2
323.18707	6.9
341.19763	11.9
342.20105	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	341.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
57.40929	0.5
59.27547	0.4
61.76440	0.4
69.03462	1.3
81.03440	0.5
83.05042	0.5
84.02167	20.1
85.02985	0.6
93.91173	0.5
95.05029	0.5
97.02946	10.2
97.06590	0.6
99.04518	4.9
107.96024	0.4
111.08126	0.5
119.08669	2.8
125.09693	1.1
127.11296	1.3
135.08153	1.5
136.08957	0.7
137.09732	1.7
171.10272	54.7
172.10555	2.6
183.13901	1.4
185.11867	0.6
193.12352	0.5
211.13466	1.8
221.11852	0.9
239.12918	1.0
253.14534	1.2
291.19724	3.6
341.23312	100.0
342.23700	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	341.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
57.40929	0.5
59.27547	0.4
61.76440	0.4
69.03462	1.3
81.03440	0.5
83.05042	0.5
84.02167	20.1
85.02985	0.6
93.91173	0.5
95.05029	0.5
97.02946	10.2
97.06590	0.6
99.04518	4.9
107.96024	0.4
111.08126	0.5
119.08669	2.8
125.09693	1.1
127.11296	1.3
135.08153	1.5
136.08957	0.7
137.09732	1.7
171.10272	54.7
172.10555	2.6
183.13901	1.4
185.11867	0.6
193.12352	0.5
211.13466	1.8
221.11852	0.9
239.12918	1.0
253.14534	1.2
291.19724	3.6
341.23312	100.0
342.23700	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	341.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	5.9
59.01363	8.4
61.67958	1.3
62.41333	1.3
69.61443	2.9
71.01379	6.1
72.60519	1.5
79.77798	1.3
80.35547	1.3
83.05019	1.6
89.02444	7.2
97.02969	1.6
97.06625	1.8
101.02461	2.8
113.02466	1.8
119.08646	3.8
125.09737	2.3
127.07668	4.7
135.08171	2.0
137.09702	12.6
171.10274	28.4
179.05658	3.5
181.12349	6.3
183.13905	2.4
184.01070	2.1
193.12292	2.2
195.13689	1.5
197.11734	2.7
201.11345	10.5
209.11804	1.6
211.13362	9.9
213.14946	14.7
221.11880	5.6
239.12862	3.2
241.14522	1.9
251.16461	2.5
291.19717	5.4
309.20758	8.7
323.22330	6.0
341.10944	3.3
341.23331	100.0
342.23685	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	341.233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.6
57.14437	0.4
59.01373	2.2
67.01882	0.7
67.31955	0.4
69.03447	3.2
69.56625	1.2
69.93514	0.4
71.01367	0.5
71.05008	1.1
74.67011	0.5
81.03458	1.3
83.05041	3.2
84.02163	1.4
85.02962	0.5
95.05016	1.9
97.02951	1.2
97.06584	14.3
98.06846	0.4
99.04530	1.3
109.06575	0.7
111.08157	0.9
123.04511	0.6
123.08200	0.6
125.09719	3.2
135.31569	0.5
137.09683	1.2
149.13382	0.5
151.07578	0.6
151.11301	1.2
153.09180	0.6
163.11252	0.8
164.55696	0.4
165.12839	1.3
167.10774	0.9
171.10272	9.4
172.10602	0.7
175.11237	1.3
177.12875	0.9
185.11804	1.4
191.10817	0.7
192.39180	0.5
193.12323	20.7
194.12633	0.9
197.15398	0.7
207.13858	0.4
209.11795	0.8
211.13367	3.7
221.11798	1.3
225.14949	26.3
226.15331	1.9
235.13441	0.8
243.15994	11.1
244.16328	0.7
253.14455	2.7
272.16196	0.6
287.16589	0.6
289.90045	0.4
291.19589	1.5
305.21149	0.8
324.22247	0.5
341.23303	100.0
342.23639	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	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22508	0.3
57.03444	0.5
57.32910	0.3
59.01373	1.3
69.03449	2.6
69.56685	1.2
81.03442	0.5
83.05029	1.6
83.99741	0.3
84.02165	3.1
97.02946	1.2
97.06582	13.3
98.06913	0.5
99.04510	0.8
104.14720	0.3
111.08165	0.5
119.08681	0.4
121.10207	0.5
125.09691	1.9
135.08192	0.3
137.09705	1.4
149.13327	0.9
151.11284	0.6
153.09189	0.4
161.47771	0.3
163.11311	0.5
163.47337	0.3
165.12798	0.9
167.14421	0.5
171.08763	0.5
171.10260	11.2
172.10591	0.5
175.11284	1.0
177.12746	0.4
183.13921	0.5
185.11829	0.5
193.12314	17.7
194.12694	1.3
195.13957	0.3
197.15457	0.9
211.13419	3.8
212.13850	0.4
213.14906	0.3
221.11739	0.7
225.14941	23.2
226.15257	1.5
243.15984	8.9
244.16318	0.7
253.14578	0.8
272.16064	0.4
291.19684	1.6
305.21277	0.6
323.22336	0.5
341.23294	100.0
342.23642	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	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78848	0.3
53.22736	0.4
57.03431	0.5
59.01365	0.9
62.10099	0.3
67.01884	0.4
69.03455	1.8
70.66473	0.5
73.03010	0.4
78.54395	0.3
80.08075	0.4
81.03446	0.4
83.05017	1.0
84.02152	1.0
89.92419	0.4
97.06584	10.8
98.06930	0.4
99.04532	0.4
109.06592	0.4
119.08633	0.4
121.10232	0.6
125.09702	1.4
127.11264	0.5
134.86903	0.4
137.09700	0.8
149.13351	1.0
151.11319	0.5
157.43295	0.4
165.12846	0.8
171.10263	6.0
175.11287	0.9
180.80684	0.3
183.13904	1.0
184.85536	0.4
185.11841	0.6
185.50012	0.3
193.12329	14.8
194.12633	0.9
211.13377	4.0
213.62495	0.4
221.11801	1.1
225.14955	19.5
226.15265	1.0
243.15985	8.5
244.16356	0.6
253.14445	1.4
272.16626	0.4
291.19571	1.3
323.22528	0.7
341.23303	100.0
342.23639	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	341.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35646	1.0
58.00589	1.8
59.01376	10.3
71.01387	6.1
73.02946	3.4
83.05033	1.5
84.02157	2.3
85.02932	1.7
89.02442	5.4
90.03912	0.8
95.05016	2.3
97.06575	1.5
101.02435	2.4
109.06593	1.3
113.02414	1.6
115.07608	1.3
119.03517	1.6
125.06073	1.1
127.07648	2.2
127.11382	0.8
133.02956	1.1
135.04567	1.1
141.09212	1.3
151.07698	1.0
151.11273	1.8
156.32529	0.8
169.08734	1.4
171.10280	9.1
179.05588	2.4
183.13893	1.5
184.11818	0.8
185.11751	1.3
191.07004	1.0
197.11810	1.5
201.11244	0.9
207.10219	2.0
209.11850	1.0
211.13425	3.0
212.52141	0.9
213.11261	1.0
215.12933	1.0
219.13896	0.8
225.11313	1.5
227.12849	1.2
235.16920	1.2
237.18565	1.9
249.08997	1.1
251.20131	0.9
253.21735	0.9
261.09790	0.9
261.18427	0.8
263.20181	1.2
273.18631	4.7
279.19568	1.0
281.21216	3.0
289.17990	1.5
291.19601	4.0
305.17310	1.4
309.10336	1.7
309.20633	3.9
323.22260	2.0
341.10947	3.3
341.20294	3.6
341.23297	100.0
342.23630	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	342.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43246	5.4
136.47421	4.1
342.20490	100.0
343.20914	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	342.205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24114	2.9
59.01378	6.7
71.01350	2.9
71.71262	2.3
81.35395	2.6
94.72043	2.4
110.80650	2.4
121.02966	3.1
141.38988	2.5
150.23039	2.4
179.05598	2.6
238.34991	2.5
277.21698	3.6
342.20490	100.0
343.20886	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	343.037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	85.9
60.01709	0.8
69.67498	0.6
69.67850	0.2
93.37114	0.2
98.21910	0.3
106.41301	0.2
113.04605	0.5
115.02458	0.2
121.02968	0.2
157.03554	7.2
158.03693	0.7
159.01511	2.1
160.01668	0.2
162.76781	0.2
178.62939	0.2
199.98737	0.3
201.02545	100.0
202.02693	8.3
267.21866	0.2
343.03748	2.9
344.03976	0.6
354.36005	0.2
363.59525	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41828	0.4
58.67513	0.4
59.01379	77.5
60.01723	0.6
61.98840	2.5
69.57972	1.7
71.01386	2.0
81.29330	0.4
85.02953	0.5
89.02440	2.9
91.02934	0.5
93.27406	0.5
101.02460	1.2
105.93633	0.5
113.02482	0.9
119.03484	1.2
119.05027	1.3
121.02991	1.7
129.59203	0.5
138.01970	0.7
154.39020	0.4
157.03584	6.1
159.01494	2.1
164.03543	0.5
174.27370	0.4
179.05585	0.5
181.04970	0.8
182.68205	0.4
185.01144	0.7
199.98753	1.6
201.02553	100.0
202.02716	9.2
222.27258	0.5
238.17642	0.5
297.57977	0.5
343.03830	3.2
343.11053	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0822
Annotation	(-)-Usnic acid
Peak:m/z	Relative Intensity
51.18701	0.9
59.01371	2.5
65.16987	0.9
70.52505	1.8
83.01388	73.1
84.01720	1.2
89.14958	0.9
95.04985	1.2
109.61271	0.8
121.02953	2.4
145.06560	1.6
171.04552	1.5
178.73541	1.0
187.03925	1.2
187.07750	1.0
189.05548	4.6
189.33049	1.0
203.07030	1.9
211.11206	1.3
213.05534	2.0
215.03513	5.4
229.05069	5.2
231.06619	40.7
232.07005	3.5
241.05122	1.6
255.06607	3.6
257.04639	4.8
257.08258	1.0
259.06104	39.4
260.06403	3.0
269.04654	3.4
283.06180	1.3
284.06906	1.0
285.04077	2.6
286.04739	1.6
299.06067	1.3
299.09274	6.2
300.06265	1.8
300.09409	1.1
301.07098	5.3
313.03546	29.8
314.03793	2.8
314.07120	1.0
315.08868	1.6
328.05881	78.9
329.06204	7.0
333.78067	1.0
343.08221	100.0
344.08493	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	343.0934
Annotation	Griseolutein B
Peak:m/z	Relative Intensity
55.50166	0.8
59.01373	2.2
69.42301	1.5
69.42703	2.5
72.06171	0.8
77.85088	0.8
106.02952	1.0
120.99622	5.3
121.02924	1.9
147.00887	0.8
147.03258	8.3
148.04001	1.8
157.05261	1.1
172.07692	1.7
175.02747	36.4
176.03505	12.1
184.07632	1.4
187.08727	1.5
197.04860	1.3
199.05084	1.3
200.05734	1.7
200.07329	1.7
203.04626	1.0
215.08206	3.0
220.52966	0.8
227.04649	5.1
227.08279	0.9
228.05139	5.8
240.07002	3.8
241.06055	1.2
242.06828	1.1
243.07684	5.5
243.11382	2.8
255.04076	16.6
255.07799	2.1
256.04883	19.8
257.05115	1.6
268.04773	1.1
269.05673	1.9
269.09262	1.6
270.06415	2.8
271.07236	92.9
271.10278	3.3
272.07535	8.9
281.09280	1.0
283.07211	19.8
284.07513	2.3
297.08832	1.6
299.10291	7.5
325.08286	5.6
343.09317	100.0
344.09647	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	343.1033
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
54.64272	0.4
57.86893	0.4
59.01379	13.3
68.25855	0.5
69.37224	2.0
71.01381	1.7
78.32971	0.4
82.08232	0.4
88.04018	0.5
89.02415	1.0
93.03465	5.5
95.04972	0.6
98.21852	1.0
104.21796	0.4
107.05018	0.5
109.02960	4.5
109.06577	2.8
115.90773	0.5
119.05012	3.5
121.02954	5.0
122.03705	0.8
135.04527	3.9
137.06082	29.1
138.06392	0.9
165.58647	0.5
166.06247	0.5
169.08643	0.8
179.03491	0.6
181.05067	100.0
182.05379	4.3
253.55731	0.4
288.15576	0.5
307.13879	0.5
343.10330	16.9
343.13843	0.6
344.10687	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46217	21.2
57.09775	20.0
69.31821	100.0
70.11659	24.1
104.69264	19.3
121.02956	27.1
123.00876	20.9
148.70308	22.8
209.11778	24.0
289.17993	37.2
305.17526	36.1
307.19058	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57303	0.6
57.03453	4.0
59.01378	1.8
69.03457	2.0
69.20344	4.5
71.01390	1.4
71.05029	1.8
73.02944	2.1
83.05018	2.6
84.02156	2.2
85.02956	3.6
85.06575	1.2
87.04528	2.2
95.05019	5.2
97.06606	1.9
109.17633	0.7
113.06083	2.2
121.02984	0.8
123.08162	1.7
125.09722	1.8
127.11263	1.7
133.02962	1.2
135.04526	1.2
135.08142	0.8
161.02458	2.2
163.11256	1.0
165.12822	1.3
167.14310	1.1
171.10269	11.4
179.03481	1.0
183.13896	3.1
183.21402	0.8
185.11888	1.2
193.12390	1.5
193.16048	1.0
197.11961	0.7
199.13432	0.7
209.11787	7.1
211.13416	18.3
212.13821	1.5
221.11804	0.9
223.13451	1.1
229.12177	1.5
229.14438	20.5
230.14848	1.7
237.14960	6.3
239.12856	0.8
249.14909	1.9
261.38312	0.8
266.99594	0.9
267.16092	0.9
276.63138	0.8
289.18216	1.4
300.86871	0.7
325.20227	5.4
326.20670	0.9
342.65494	1.0
343.21249	100.0
344.21606	9.7
359.28659	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2126
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
55.01861	1.2
55.14416	0.8
57.03450	8.2
59.01371	4.7
65.06153	1.0
69.03447	5.6
69.21484	2.8
69.21880	2.9
71.01401	2.0
71.05023	6.0
72.83399	1.0
73.02963	1.2
73.68918	0.9
75.00862	1.6
79.05518	1.3
81.03448	2.6
83.01362	1.1
83.05032	7.2
84.02161	2.6
85.02963	2.2
85.06564	1.5
87.04514	6.0
93.03445	2.0
94.04245	1.6
95.05029	13.1
97.02943	4.4
97.06588	9.9
99.04501	1.3
106.04248	5.4
107.05084	1.1
109.02950	9.8
109.06577	4.1
111.04517	4.2
111.09362	1.1
115.07679	1.8
121.02934	5.6
121.06641	1.3
123.04501	1.3
123.08177	5.9
124.05309	1.4
125.06104	1.0
125.09735	4.9
127.11288	2.9
133.06633	1.6
135.08176	14.0
137.09740	1.7
145.02942	3.5
153.09200	9.8
161.02432	4.0
162.03195	3.7
163.06108	1.7
163.11281	1.6
165.09235	1.3
171.10277	72.3
172.10631	3.6
174.03220	5.0
175.03999	1.5
177.05563	2.1
181.12431	1.3
185.11853	2.1
189.05606	2.6
191.14395	1.5
193.16013	2.4
199.09644	1.3
201.11314	19.2
205.15961	1.2
209.11801	8.4
211.13406	2.9
213.11317	1.8
223.13475	1.8
227.13068	1.1
229.14389	7.3
231.14101	1.2
237.14951	21.3
245.19034	2.3
249.14932	12.6
250.06287	1.4
250.15376	1.7
255.15868	1.2
263.98459	1.2
267.06525	6.3
267.15906	5.9
285.17084	4.1
289.18118	15.0
290.18304	1.4
290.26648	1.1
299.09293	13.6
307.19095	5.7
325.20206	22.5
326.20480	1.2
343.12149	2.7
343.21252	100.0
344.21631	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60293	0.9
57.03446	1.0
59.01369	1.5
59.46166	0.8
61.98829	1.6
65.47155	0.8
69.03462	1.3
69.38992	3.7
74.91822	1.0
80.02670	2.4
81.03463	2.7
83.05017	11.1
84.02167	3.8
95.05038	3.3
97.06578	2.1
98.21806	1.0
109.06596	0.8
111.08168	1.0
121.02927	1.7
125.06160	0.9
125.09721	1.1
127.07641	1.2
131.37813	0.8
135.08206	2.2
153.12982	0.9
163.11263	8.8
165.12788	4.9
171.10283	4.4
185.11842	2.0
191.10657	2.1
197.11813	2.4
209.11824	100.0
210.12183	6.5
211.13412	1.7
229.14600	1.3
343.21219	8.9
344.21585	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2126
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
55.58911	0.5
57.03445	2.9
59.01368	1.2
69.03455	1.5
69.31228	3.0
71.05030	1.6
74.34781	0.6
81.03440	0.9
83.05025	2.4
84.02169	2.4
85.02956	2.5
85.06609	1.6
87.04520	2.5
94.98966	0.6
95.05028	5.7
97.06569	1.6
106.04250	0.7
109.06615	0.6
113.06097	1.7
125.09704	1.2
125.20438	0.5
127.07684	0.7
127.11298	2.0
135.08139	1.0
150.93750	0.7
165.12842	0.6
167.14467	1.1
171.10268	13.4
174.03143	0.6
177.12823	0.6
181.12404	0.9
183.13921	2.8
189.71078	0.6
193.12375	0.8
193.15994	0.7
195.13924	0.8
199.13397	0.7
201.11388	0.9
209.11829	4.7
211.13408	15.5
212.13791	0.8
221.11795	1.4
229.14435	15.1
230.14755	1.3
237.14963	9.5
239.12836	1.0
243.24896	0.6
249.14929	1.4
255.16040	0.6
263.16293	0.6
267.15942	1.2
289.18198	1.3
307.19281	0.9
325.20230	4.9
343.21252	100.0
344.21555	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	343.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	65.1
59.86835	10.2
61.98829	16.2
71.01376	100.0
71.20437	15.5
73.41122	10.9
103.01505	14.9
109.06583	35.3
121.02958	34.7
121.06632	12.6
130.36000	11.4
137.79468	10.5
163.11310	17.3
171.10310	13.5
207.10237	47.5
291.64566	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	343.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
64.82353	0.5
65.03971	0.5
69.03457	1.4
71.05016	0.5
71.68679	0.5
83.05026	1.7
96.95992	1.3
97.06606	2.2
99.08172	9.2
99.92580	0.5
107.47332	0.4
109.06537	0.4
114.51808	0.5
115.07658	0.5
116.52852	0.4
120.89718	0.8
121.02940	0.5
121.06590	1.3
125.09716	1.8
129.09192	0.5
137.09694	0.7
139.11302	0.7
142.94418	0.4
151.11293	1.3
165.12819	1.1
167.14352	0.4
171.10286	5.8
175.11281	1.0
185.11922	1.5
189.21231	0.5
190.89948	0.5
193.12329	15.9
194.12668	0.9
197.15434	0.9
209.11879	0.8
211.13455	3.2
225.14961	22.7
226.15308	2.2
235.13403	0.7
243.15994	7.7
244.16493	0.7
289.18051	1.0
293.21255	2.1
307.19138	1.5
307.22516	0.7
311.22287	1.1
323.25696	0.5
325.24005	1.0
343.24896	100.0
344.03137	0.5
344.25201	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2489
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
50.52048	0.4
51.98866	0.5
57.03450	0.6
57.06195	0.5
59.01374	0.8
69.03450	1.4
69.37843	1.9
69.38190	0.9
83.05026	1.4
97.06585	0.7
99.08167	7.5
117.29233	0.5
121.10243	2.4
125.09728	1.8
127.11273	0.7
129.09258	0.5
137.09708	1.2
149.13399	0.6
151.11293	0.5
171.10271	20.3
172.10622	1.1
175.11314	0.8
193.12340	12.8
194.12759	1.2
197.15503	0.7
211.13420	2.2
225.14961	16.9
226.15289	1.3
243.15977	6.2
244.16426	0.6
293.21326	2.3
325.23721	1.2
343.24887	100.0
344.25275	12.3
345.68283	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2489
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03429	0.4
57.52672	0.4
59.01365	1.3
69.03452	1.3
69.79613	1.3
70.14645	0.4
71.05004	0.6
74.64101	0.4
81.03440	0.5
83.05028	1.6
94.86780	0.4
95.68070	0.4
97.06612	0.9
99.08157	8.8
109.06586	1.2
111.04566	0.4
111.08179	0.8
121.10246	2.0
123.64488	0.4
125.09717	1.2
127.07695	0.5
127.11240	0.4
137.09711	0.7
139.11250	0.9
149.13347	0.7
151.11208	0.6
165.12859	1.0
167.10689	0.6
171.10275	13.7
172.10641	0.7
175.11258	1.2
182.80609	0.4
193.12346	14.3
194.12796	0.7
195.13986	0.7
197.15616	0.6
211.13377	3.4
225.14964	19.6
226.15373	1.0
243.15997	6.1
244.16357	0.5
245.19060	0.8
289.18097	20.3
290.18387	2.6
293.21231	1.9
302.18878	0.5
307.19073	2.1
325.23834	0.6
343.24887	100.0
344.25262	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	343.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70598	0.5
57.19321	0.4
62.42532	0.4
64.03159	0.8
69.56828	1.6
99.08185	0.6
112.93606	0.4
113.09785	0.4
121.02943	0.6
121.09357	0.6
121.10229	9.8
122.10539	0.7
125.09715	1.2
127.11285	2.0
135.08162	1.2
137.09718	2.1
139.11275	1.3
153.09224	0.8
164.12602	0.5
171.10263	58.7
172.10579	3.1
207.83253	0.5
238.07774	0.5
293.21243	1.5
305.17590	2.2
343.24869	100.0
344.25217	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	344.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73512	37.5
69.73862	44.5
71.64069	16.2
90.94925	18.3
105.23825	17.3
147.39879	23.5
147.41211	16.8
207.03189	18.5
207.97180	21.0
217.07137	41.2
220.27211	19.5
236.61087	17.8
259.07190	20.6
277.15982	19.7
301.16495	100.0
345.24164	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72625	4.6
52.48338	4.9
59.01376	6.8
61.98824	5.9
71.41583	4.1
71.42503	4.7
79.61273	4.4
80.36847	4.7
128.53372	4.2
128.91156	4.1
221.68991	4.6
225.57487	5.2
255.23289	7.2
255.70471	5.4
256.23611	28.1
344.22034	100.0
345.22388	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	345.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25095	0.4
53.23600	0.5
58.57402	0.5
59.01378	100.0
60.01719	3.6
61.01797	1.4
61.98827	9.3
64.56753	0.6
70.85579	0.6
71.01374	8.9
73.02953	0.5
78.95904	0.8
85.02980	1.1
87.00862	0.7
89.02444	10.3
89.67729	0.5
95.01425	0.9
95.05038	0.5
101.02444	4.1
113.02463	3.1
119.03558	3.3
119.05025	7.6
120.04567	0.8
121.02962	1.1
123.04516	5.8
131.03600	0.7
132.98210	1.0
134.03760	1.2
135.04529	4.9
138.05605	0.9
139.04022	1.5
139.05911	1.0
141.00444	0.7
143.03557	1.0
146.03795	1.1
147.04529	9.0
148.04863	0.8
153.00459	0.5
157.03584	3.3
158.03703	0.7
159.01497	5.6
159.03351	2.0
160.01758	0.7
160.97722	1.7
161.01337	1.5
161.04602	1.5
164.03535	1.2
165.04053	1.2
165.05623	2.2
166.05199	0.5
173.04546	0.6
174.99234	5.9
179.05573	4.1
183.01469	0.7
183.06729	0.7
186.95621	0.5
187.00951	3.7
188.00679	0.6
191.05655	0.8
192.41016	0.5
201.02545	41.4
202.02707	13.0
202.98775	17.0
203.02277	39.9
203.98271	1.4
204.00032	3.0
204.02753	1.5
217.00214	3.0
219.36646	0.5
221.06648	1.2
248.95978	0.9
290.97214	2.2
327.11157	0.8
344.99963	0.9
345.03589	2.1
345.09888	5.3
346.10623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1092
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
50.29684	0.5
55.55141	0.5
59.01382	4.2
64.57174	0.5
71.01379	2.0
80.05080	0.5
84.83801	0.5
85.02947	0.8
89.02452	1.1
95.03779	1.2
96.04515	0.7
96.08176	1.3
101.02436	0.9
104.05049	0.8
106.06620	4.9
113.02434	1.2
122.06130	2.3
123.04538	1.1
124.07688	11.1
132.04562	34.9
133.05345	38.5
134.06197	6.0
138.77856	0.5
148.04053	1.3
150.05605	1.6
165.04323	8.6
176.03543	0.8
176.07117	0.6
177.04291	5.1
178.05025	1.8
184.07668	1.0
185.08482	0.6
186.09229	4.1
198.09377	0.6
209.03336	2.0
211.88092	0.5
213.06686	3.3
214.12395	6.8
215.11858	6.9
226.05153	0.5
226.07475	1.0
227.08351	0.6
228.09027	0.6
229.09860	3.8
240.10315	2.2
241.09976	2.7
241.29123	0.5
255.11420	1.0
257.12949	18.6
258.13300	1.6
283.10907	7.7
301.11951	18.2
302.12451	1.1
327.09802	0.6
345.10916	100.0
346.11243	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	345.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86998	1.3
59.01377	23.9
71.01375	10.0
71.37392	1.3
74.11743	1.1
85.02941	2.7
86.99525	1.3
89.02441	14.1
95.03773	3.2
96.08191	1.6
98.22697	2.7
101.02464	4.5
104.05059	2.0
106.06634	8.6
113.02467	4.3
119.03502	5.7
122.06151	2.7
123.04534	2.3
124.07677	16.7
128.17734	1.5
132.03535	1.7
132.04562	48.3
133.05348	54.2
134.06169	10.3
150.05638	1.8
165.04308	13.3
176.03593	2.2
177.04298	8.8
178.05127	3.2
179.03568	1.4
185.08469	2.4
186.09219	7.3
186.15173	1.3
209.03311	2.7
213.06728	4.4
214.12383	7.7
215.11871	9.7
221.45551	1.2
226.07451	1.7
229.09851	5.7
240.10445	2.7
241.09857	5.2
257.12952	37.8
258.13281	3.3
277.19983	1.3
283.10837	10.2
301.11926	29.5
302.12173	1.8
327.09790	2.8
345.10953	100.0
345.15381	10.1
346.11417	7.1
346.15326	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75050	0.4
54.06612	0.3
56.75271	0.3
58.00594	0.4
59.01378	100.0
60.01719	2.7
60.02000	0.5
60.83065	0.4
61.01835	0.7
61.98830	9.1
69.42744	0.5
69.43140	1.0
71.01382	9.0
72.01762	0.3
72.99267	0.4
73.02956	0.6
83.45899	0.3
84.22030	0.3
85.02959	1.5
87.00897	1.5
89.02447	13.0
91.03584	0.3
95.01421	0.4
95.05020	0.3
99.00870	0.5
101.02443	5.2
107.05061	0.6
113.02458	3.9
117.00496	0.4
119.03544	4.5
119.05019	11.9
120.05348	0.7
121.02908	0.5
123.04527	6.0
123.05348	0.5
131.03577	0.6
132.98190	0.6
134.03752	2.2
135.04532	8.8
136.04916	0.6
137.06064	0.7
137.72087	0.3
139.04031	0.3
141.00415	0.4
143.03511	1.3
143.27339	0.4
146.03781	1.6
147.04527	14.1
148.04900	0.7
149.04573	0.4
157.03609	2.2
158.03763	0.7
159.01494	3.7
159.03252	2.3
160.01613	0.4
160.97685	1.2
161.01230	0.9
161.04562	1.8
165.01891	0.4
165.04211	0.7
165.05542	3.0
166.05014	0.4
174.99248	4.6
179.05632	2.5
186.95589	0.4
187.00998	3.0
188.00853	0.4
201.02553	40.4
202.02724	12.5
202.98779	13.0
203.02286	36.6
203.98254	1.3
204.00064	3.1
204.02777	1.4
217.00282	2.3
244.94537	0.4
248.96130	0.7
250.75587	0.4
285.01306	0.5
290.97122	1.5
327.10971	1.1
345.03513	2.7
345.09866	1.3
346.04077	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38244	0.4
54.65591	0.5
54.74221	0.5
55.01878	4.8
57.03440	3.0
58.00593	0.9
59.01379	67.7
60.01677	1.1
69.03474	0.8
69.10559	3.5
71.01380	43.8
72.01715	1.0
72.99305	1.7
73.02945	13.0
76.13109	0.5
81.05391	0.5
83.01386	8.4
85.02950	20.3
86.00102	1.0
87.00871	2.7
89.02441	21.1
93.03465	0.6
93.29925	0.5
95.01382	4.2
97.02956	0.9
99.00874	4.8
101.02443	35.3
102.02790	0.9
111.00914	0.7
113.02452	19.2
113.03249	1.0
116.92866	0.5
119.03506	10.9
121.10232	6.8
123.04535	0.8
131.03464	1.0
132.04611	1.2
133.05360	1.7
135.04521	0.9
139.11259	0.6
143.03535	0.9
149.04549	0.9
159.03006	2.4
161.02525	0.7
161.04555	7.8
165.09193	3.7
167.10748	0.6
173.04533	1.0
179.05652	1.0
183.10283	0.7
191.05664	1.1
208.66978	0.5
224.87900	0.5
257.12961	0.6
297.73236	0.5
301.12198	0.6
301.16495	1.6
307.72412	0.5
345.15506	100.0
346.11835	0.9
346.15884	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	345.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.8
57.03450	3.4
58.00569	0.7
59.01377	63.8
68.62130	0.7
69.42260	2.9
71.01379	43.3
72.01725	0.7
72.99306	0.8
73.02946	13.3
83.01376	7.9
85.02953	20.1
86.00098	0.8
87.00873	2.0
89.02442	23.3
95.01394	4.7
97.02931	1.1
99.00900	4.3
101.02444	40.9
102.02753	0.9
103.57348	0.8
111.50726	0.8
113.02451	20.2
119.03497	11.1
121.10213	5.3
123.04565	1.1
125.02426	0.9
129.01941	0.8
132.04520	0.7
139.11241	0.8
142.93460	0.6
143.03493	1.8
159.02969	2.3
161.04526	7.4
162.04910	0.7
165.09224	1.8
179.05595	1.1
183.10268	0.9
240.81615	0.7
257.17078	0.7
294.35760	0.8
301.12256	0.7
301.16486	2.5
345.15506	100.0
346.15842	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	345.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.2
56.78842	0.7
58.76055	0.8
59.01381	68.8
69.15932	3.1
69.16341	1.7
71.01383	30.7
72.01705	1.0
73.02960	1.6
79.29234	0.8
80.33491	0.8
83.01393	2.6
85.02959	6.9
89.01923	1.8
89.02444	25.9
95.01397	2.5
101.02447	20.5
113.02465	9.3
119.03497	11.9
121.10235	2.2
124.07700	1.4
125.66266	0.9
132.04526	3.0
133.05331	3.4
143.03438	0.9
165.09206	9.5
180.44060	0.9
183.10277	2.2
183.83841	0.9
202.75432	0.7
215.12012	1.2
226.37134	0.9
257.12991	2.3
301.11917	2.0
345.10974	6.8
345.15497	100.0
346.11728	1.5
346.15836	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	345.1555
Annotation	Rehmapicroside
Peak:m/z	Relative Intensity
53.96763	0.8
55.01881	5.4
57.03444	3.5
59.01381	87.1
60.01709	0.9
64.20667	0.8
66.56019	0.7
69.03455	2.2
69.10404	3.8
71.01383	58.1
72.01722	1.5
72.99319	1.4
73.02951	15.9
73.14798	0.7
74.69601	1.0
81.03457	1.0
83.01392	9.3
85.02957	22.4
85.66051	0.9
87.00875	2.3
89.02448	24.6
95.01387	5.5
97.02999	1.4
99.00888	4.4
101.02451	44.7
113.02458	19.3
119.03490	11.7
121.05354	1.3
121.10252	6.4
123.04517	3.8
133.03020	0.9
134.06126	0.9
139.11272	1.0
143.03526	2.1
149.04567	1.1
150.05585	1.9
159.02986	3.4
159.67834	0.9
161.02487	1.0
161.04546	9.1
176.03642	0.8
183.10292	2.5
240.10376	4.2
257.13010	1.7
268.08505	1.0
283.10898	12.6
301.11874	1.1
301.16708	1.7
304.95367	0.8
306.89859	0.9
327.09814	3.7
345.15536	100.0
346.15817	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	345.1553
Annotation	(-)-Nepetaside
Peak:m/z	Relative Intensity
55.01871	0.5
57.03439	0.9
58.00592	1.0
59.01377	56.2
60.64868	0.4
64.27959	0.5
69.03452	1.2
71.01378	22.4
72.01686	0.5
72.99279	0.7
73.02935	1.6
73.13793	0.4
75.12778	0.4
83.01385	2.0
83.24086	0.5
85.02948	6.0
85.62395	0.6
86.68623	0.5
89.02441	20.7
95.01395	2.1
98.21889	1.6
101.02438	14.5
113.02451	8.7
119.03499	7.6
121.10205	1.4
131.63820	0.5
135.04654	0.4
139.11284	3.9
161.02548	0.5
165.09151	2.0
183.10258	43.0
184.10611	1.9
209.11891	0.9
345.15509	100.0
346.15833	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	345.1555
Annotation	Kankanoside A
Peak:m/z	Relative Intensity
54.89642	0.9
55.01870	1.3
57.03440	1.4
59.01378	65.0
60.01694	1.3
63.83278	1.0
70.51530	1.5
71.01380	28.6
72.99294	2.9
73.02917	1.8
83.01396	2.6
85.02946	6.6
87.00904	1.2
89.02440	26.5
89.52567	1.2
95.01364	2.4
101.02444	18.3
113.02469	8.1
119.03508	10.9
121.10236	35.2
122.10562	1.4
123.04505	3.4
131.42830	1.1
133.02980	1.1
134.03778	1.9
134.04684	1.1
135.04489	5.1
137.09727	5.8
143.03510	1.7
146.88048	1.1
161.02466	2.3
161.04599	1.9
165.09201	56.9
166.09517	3.2
179.03500	3.8
179.05719	1.5
183.10254	31.3
184.10643	2.2
283.13461	1.3
345.15540	100.0
345.22278	5.6
346.15775	9.2
353.30389	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	35.7
61.98800	9.5
65.03961	9.2
70.74562	8.9
71.05024	8.2
74.74972	5.1
83.04989	5.1
97.06564	11.9
97.84969	5.6
99.08153	7.1
100.08503	7.2
115.12251	5.3
121.06573	13.1
123.04535	30.2
148.83127	5.4
185.11850	13.4
193.12306	11.0
194.12532	6.5
195.12772	8.7
209.11687	9.4
211.13373	11.6
212.13551	6.1
226.15286	15.4
227.15405	16.8
233.15294	8.7
235.13423	26.7
244.16434	8.5
289.18008	23.4
307.19122	28.8
327.16095	6.2
344.25266	42.4
345.17047	10.4
345.25494	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	345.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04905	11.7
55.05153	10.3
57.00607	13.0
59.01388	82.3
60.43412	10.8
61.98839	18.4
67.00407	10.9
69.30286	46.9
98.11356	10.3
105.30388	12.2
107.05012	17.7
110.20846	11.6
123.04515	95.5
130.00821	10.0
171.10318	12.5
181.66959	11.1
209.11946	17.0
229.61229	12.9
231.09990	19.9
247.09538	17.0
249.11052	47.3
289.18280	17.1
291.19604	32.9
309.20673	100.0
327.15793	23.3
344.25223	14.2
345.07642	19.4
345.13144	18.0
345.16803	49.8
345.25235	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.0
71.05012	6.0
71.96607	3.7
98.22639	12.8
123.04518	6.3
134.03804	5.6
137.09695	7.9
156.18138	3.7
166.48169	4.1
171.10269	21.3
223.13568	4.6
241.40805	4.1
251.16556	12.8
252.11951	4.1
291.19742	17.2
309.20688	100.0
310.21133	12.3
345.07861	11.1
345.17181	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	345.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	23.8
61.98824	13.7
71.05026	6.4
84.02168	5.9
92.20033	2.9
98.21873	6.5
123.04549	17.4
125.09662	4.8
127.11315	4.0
127.83352	2.9
137.09731	13.5
155.10748	8.3
165.05508	4.6
166.43103	2.8
168.49989	3.2
171.10278	37.2
172.05318	3.9
211.13419	4.2
231.49026	3.2
240.81454	2.8
251.16588	6.6
283.13416	10.4
291.19614	25.1
301.14539	7.0
309.20700	100.0
310.21085	9.8
327.16028	3.4
345.13205	5.9
345.17197	6.0
345.24734	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	345.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.77199	15.3
61.98806	18.0
71.01307	15.6
71.46198	19.5
75.15394	16.3
94.81688	14.2
113.02469	16.1
123.04504	69.7
291.19550	27.0
309.20734	21.3
345.24124	75.4
346.24500	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58779	0.9
59.01380	100.0
60.01698	1.0
60.82142	0.6
61.98820	0.8
66.47840	0.8
68.01097	0.8
70.44549	1.5
71.01350	1.0
79.95629	0.7
90.94399	0.8
108.29607	0.8
123.04502	5.8
134.03716	5.4
148.05299	1.7
187.03995	1.4
188.96007	0.8
211.13402	8.5
257.15512	2.6
299.16592	2.9
308.56107	0.8
309.14822	1.0
317.17566	1.6
327.15994	2.7
345.07443	2.2
345.17023	9.0
345.22559	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97062	1.6
59.01390	9.6
61.98833	3.2
62.39700	1.4
69.32136	1.7
69.87434	4.0
71.05014	1.6
80.02686	2.0
81.03474	1.7
83.01321	1.5
83.05016	12.2
84.02167	7.4
95.05042	3.4
99.08151	2.0
119.05077	2.0
123.04523	11.7
125.09731	2.2
129.09238	3.3
134.03741	4.5
135.04355	1.9
137.09709	5.2
147.04541	10.7
155.10762	6.1
163.11273	9.6
165.05569	19.0
165.12823	5.9
171.10254	12.7
185.11819	7.1
191.10742	2.4
197.11818	5.1
209.11829	100.0
210.12206	5.6
211.13385	4.8
248.23236	1.7
290.96851	1.9
291.19818	2.4
309.20892	3.9
315.10425	1.6
327.15973	2.8
345.08450	2.5
345.17044	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	346.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	54.5
60.01712	4.6
61.01810	0.7
61.98830	100.0
74.79514	0.5
96.96037	1.4
112.53326	0.5
157.03577	1.0
158.03809	1.5
159.03368	2.0
160.01581	0.7
161.01163	0.7
197.12415	0.5
201.02560	7.2
202.02721	23.4
202.99425	0.8
203.02293	28.0
203.99997	46.9
204.02698	8.1
205.00224	3.8
205.02750	0.7
256.36145	0.7
256.86032	2.1
257.35965	0.8
257.85718	0.6
296.33960	2.6
296.83676	4.6
297.33957	1.8
297.83746	0.9
346.03787	1.8
360.01605	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1499
Annotation	CHEBI:70593
Peak:m/z	Relative Intensity
61.98814	2.0
63.15240	1.7
69.36524	8.1
81.03453	1.8
87.31273	1.6
91.35830	1.8
96.96014	2.1
108.02171	8.3
122.03732	17.1
133.02916	1.9
134.67429	2.1
136.01663	58.3
142.67517	1.5
148.01672	9.6
148.05247	2.8
149.02444	4.1
150.03195	4.7
161.02446	16.0
162.03136	3.4
163.00365	3.3
165.01833	1.5
172.05286	4.9
174.03210	2.6
175.03970	12.0
176.01163	19.2
176.04704	5.3
177.01842	2.6
189.05548	3.3
190.02562	1.8
195.10318	2.3
219.10059	2.3
257.15399	9.1
260.57300	2.2
267.55881	1.7
273.14951	30.3
274.15283	4.1
275.16385	2.6
283.13400	18.6
284.13916	2.0
285.04077	6.2
287.63013	1.6
291.16061	5.9
301.14474	55.8
302.14786	5.9
309.20834	2.1
309.46799	1.8
309.90704	1.6
311.12799	6.8
319.15454	28.5
320.15781	2.6
329.13937	100.0
330.14276	12.2
347.11624	4.8
347.14969	98.2
348.15210	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	347.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26507	0.8
59.01378	18.2
62.12443	0.8
69.11106	0.8
69.94880	2.0
69.95248	1.6
75.00906	1.0
80.02795	0.8
83.05063	0.9
91.06561	0.8
96.86810	0.9
97.93152	2.3
113.92604	0.9
114.93391	4.2
193.31154	1.0
249.18591	100.0
250.18953	9.9
265.14728	1.0
321.36978	0.9
347.11938	1.7
347.26108	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.5
57.03448	2.3
58.08069	0.4
59.01381	32.8
60.01699	0.5
67.01871	0.5
69.41634	1.8
71.01382	24.2
72.99302	1.5
73.02948	12.5
75.00854	0.8
76.85298	0.5
81.03493	0.5
83.01387	9.1
85.02953	16.2
86.00107	2.2
87.00884	2.0
89.02444	5.9
93.03439	1.3
95.01399	2.0
97.02979	0.6
98.21113	0.5
99.00874	3.4
101.02444	29.1
102.02779	0.6
111.00909	0.8
113.01682	0.9
113.02445	8.6
119.03534	1.6
125.02435	0.5
129.01973	0.8
135.04539	3.0
136.07709	0.6
143.03490	0.7
159.02980	1.7
161.04555	4.2
173.04550	0.7
176.04066	1.4
179.03514	2.1
179.05769	0.6
185.11852	3.3
191.05623	3.6
197.04625	1.1
209.08273	0.5
210.03889	0.5
217.48117	0.5
226.13788	0.6
246.17680	0.5
259.14529	0.4
285.11343	0.9
303.18158	1.4
341.08743	1.7
347.17105	100.0
348.17459	9.5
349.14627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44495	0.5
51.56938	0.4
53.10778	0.5
55.01872	4.4
57.03434	2.3
57.75016	0.4
59.01378	29.7
67.01879	0.6
69.03437	0.7
69.21792	0.7
69.22201	2.0
71.01379	24.7
72.99264	0.8
73.02943	13.3
74.71299	0.5
83.01381	7.1
85.02948	16.7
86.00084	2.1
87.00866	2.1
89.02448	5.1
93.03452	2.5
95.01392	2.0
97.02925	0.7
99.00881	2.9
101.02440	29.7
109.02964	0.8
111.00864	1.0
113.02448	10.3
119.03493	1.6
129.01920	1.0
131.92944	0.5
133.02859	0.6
135.04529	3.9
136.07661	1.1
143.03424	0.8
159.02991	1.2
161.02466	1.1
161.04535	4.2
173.04466	1.1
176.04013	2.4
176.54303	0.7
179.03497	3.7
180.03802	0.6
185.11859	3.1
191.05582	5.4
197.04567	1.1
256.49142	0.5
259.14462	0.9
285.11581	0.8
303.18198	1.8
341.08691	1.7
347.17084	100.0
348.17477	10.4
367.84012	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66058	0.6
52.66319	0.6
53.81354	0.6
55.01881	2.1
57.03445	2.1
59.01380	52.9
69.43597	2.2
71.01384	29.9
72.99306	1.3
73.02955	6.9
83.01393	5.1
85.02959	11.2
86.03338	0.7
87.00845	1.1
89.02448	16.6
95.01398	2.4
97.02929	0.7
98.21861	1.5
99.00890	2.3
101.02451	23.3
102.04393	0.6
113.02463	11.6
119.03506	6.1
133.02956	0.9
135.04454	0.9
155.10771	0.7
159.03029	1.1
161.02519	1.0
161.04573	4.0
167.10774	8.0
168.11145	0.8
173.04584	0.9
179.03490	1.1
180.39479	0.7
185.11879	3.2
249.25200	0.6
303.18124	1.4
314.08585	0.7
347.17114	100.0
348.17459	7.5
360.97211	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1709
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01877	3.9
57.03454	2.2
58.00595	0.5
59.01377	27.2
69.03441	0.5
69.35729	0.6
69.36126	0.8
71.01378	20.5
71.54584	0.3
72.01718	0.5
72.99300	0.7
73.02943	9.5
75.00816	0.5
83.00908	0.6
83.01384	7.7
83.97134	0.3
85.02945	12.7
86.00087	2.0
87.00871	1.9
89.02434	2.9
90.52064	0.3
93.03449	0.4
95.01390	1.9
97.02954	0.7
98.22576	0.8
99.00882	3.3
101.02439	23.5
102.02764	0.8
111.00870	1.2
113.02449	7.5
119.03503	0.8
123.27047	0.3
125.02448	0.4
129.01906	0.5
131.86217	0.3
133.02861	0.3
141.02109	0.3
159.02948	0.5
161.02466	0.4
161.04579	2.2
175.98518	0.3
182.91916	0.3
184.26907	0.3
185.11806	3.0
191.05598	2.3
211.13240	0.4
222.45546	0.3
238.84641	0.3
303.18130	1.8
325.47949	0.3
329.16644	0.4
335.53464	0.3
347.17078	100.0
348.17429	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	347.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	11.2
61.98823	15.0
65.53858	8.2
66.52571	8.1
96.96056	9.2
134.54463	8.3
171.10284	17.1
271.18909	8.5
285.04092	13.2
291.19571	13.6
293.21234	14.5
309.20691	100.0
310.21100	15.8
311.22275	83.3
329.20868	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	5.9
59.01379	4.3
61.98820	3.9
63.94732	3.2
69.60007	5.8
69.60374	10.2
76.02821	2.9
113.09745	19.9
158.49271	2.9
167.10825	2.9
204.90851	3.2
246.78741	2.8
293.21219	100.0
294.21603	7.1
347.25867	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	348.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	15.2
70.79236	1.5
83.55310	1.1
107.01399	1.9
133.02959	11.9
149.02385	1.3
151.00357	4.8
165.78462	1.0
170.22607	1.0
175.04039	5.0
190.80255	1.1
199.04099	2.6
202.55492	1.1
217.05115	2.0
248.63037	1.0
273.36337	1.1
285.04037	100.0
286.04462	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	349.111
Annotation	Estrone 3-sulfate
Peak:m/z	Relative Intensity
50.65656	0.4
52.79894	0.6
59.01372	1.7
61.98830	1.2
69.46570	1.9
69.46915	0.6
77.29610	0.6
84.93875	5.1
99.92583	83.5
100.92611	4.2
100.93369	14.7
100.94029	0.8
101.93398	0.6
103.29812	0.4
115.92072	27.4
116.92857	100.0
117.92873	6.2
117.93640	0.8
141.44687	0.6
146.81178	0.5
185.91173	0.6
199.98013	0.6
201.16376	0.6
245.15498	0.7
249.18617	4.9
250.18980	0.9
250.28374	0.6
251.19202	0.6
262.03064	0.7
271.02765	0.8
280.03928	2.6
281.04446	1.2
305.12094	1.6
331.10028	2.2
345.07932	2.8
349.11108	45.9
350.11288	6.8
363.08948	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	349.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.8
57.03434	2.0
58.00589	1.9
59.01377	100.0
69.89410	1.9
69.89791	1.9
71.01379	45.2
72.99284	2.0
73.02930	1.8
80.85571	0.9
83.01392	1.7
85.02950	9.3
89.02443	45.3
95.01387	3.4
95.08656	4.0
98.81857	0.8
99.00873	1.4
100.65211	1.0
101.02444	32.1
113.02444	16.3
119.03500	20.3
125.06082	1.1
131.03473	1.5
143.03453	1.7
149.04597	1.4
154.04903	0.8
161.04544	1.6
164.12720	1.0
169.08685	30.3
170.09085	1.0
179.05617	1.8
187.09691	1.0
191.05571	2.5
208.73045	0.8
289.02350	1.3
349.15009	92.4
350.15378	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	349.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45329	0.5
51.67693	0.6
52.48793	0.6
54.21259	0.6
55.01821	0.6
59.01379	32.5
62.24199	0.6
69.40358	1.2
69.40744	1.4
71.01014	1.0
71.01384	15.7
73.02947	1.1
79.05530	1.8
85.02948	4.0
89.01928	1.1
89.02442	15.3
95.08665	45.4
96.09004	1.7
98.22612	1.4
101.02444	6.7
113.02445	5.8
119.03500	5.7
143.03491	0.9
161.04581	1.4
169.08701	100.0
170.09045	4.4
176.25854	0.6
179.05615	2.1
306.15027	0.7
349.11285	0.5
349.15027	12.0
349.18970	1.0
350.15225	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45329	0.5
51.67693	0.6
52.48793	0.6
54.21259	0.6
55.01821	0.6
59.01379	32.5
62.24199	0.6
69.40358	1.2
69.40744	1.4
71.01014	1.0
71.01384	15.7
73.02947	1.1
79.05530	1.8
85.02948	4.0
89.01928	1.1
89.02442	15.3
95.08665	45.4
96.09004	1.7
98.22612	1.4
101.02444	6.7
113.02445	5.8
119.03500	5.7
143.03491	0.9
161.04581	1.4
169.08701	100.0
170.09045	4.4
176.25854	0.6
179.05615	2.1
306.15027	0.7
349.11285	0.5
349.15027	12.0
349.18970	1.0
350.15225	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.155
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21349	2.2
57.49421	2.1
61.39940	2.5
70.04574	6.5
75.00856	5.8
96.11525	2.1
96.96024	3.9
111.08202	2.4
121.10220	7.0
125.06053	4.8
143.07133	7.1
185.11859	3.9
207.10001	4.5
223.13387	9.7
232.37276	2.6
245.18985	2.7
265.14670	12.9
291.19626	19.2
306.18359	2.7
313.17847	100.0
314.18152	9.8
343.27292	2.6
349.15479	14.8
349.19983	5.2
367.01843	2.7
367.95972	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	349.1655
Annotation	Eurycomalide A
Peak:m/z	Relative Intensity
59.01379	1.1
60.04935	0.7
61.98822	1.9
69.03450	0.9
70.42632	0.8
70.42951	1.2
88.34428	0.7
95.01403	1.0
108.02145	0.9
119.05039	3.1
123.00903	6.7
124.01656	7.8
129.03452	1.1
135.04521	1.8
137.02437	2.8
138.03249	2.4
145.02936	1.2
146.03729	1.5
147.04543	6.2
149.02487	1.3
150.03259	1.9
151.04013	1.5
159.04469	2.0
161.02451	1.3
162.03235	1.9
163.04002	8.1
164.04695	2.6
166.60768	0.7
173.02464	3.1
173.88121	0.8
174.03224	3.9
175.04024	2.6
176.04810	5.1
177.05563	1.7
183.13947	2.4
189.05602	4.5
190.02705	1.2
191.03499	51.5
192.03886	2.5
206.05809	6.0
211.13390	26.0
212.13715	1.8
229.12297	2.7
231.10168	1.0
246.12576	2.5
247.13271	1.2
271.13556	2.2
273.11316	37.2
274.11649	3.8
277.10788	3.0
278.11520	3.9
281.11774	1.5
289.14413	1.4
290.11621	5.9
291.12375	50.2
292.12634	4.9
299.12888	8.5
306.14651	3.3
316.13168	6.0
317.13858	7.1
331.15302	4.5
334.14215	27.2
335.14441	1.9
349.16541	100.0
350.16891	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	349.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97588	0.7
56.19730	0.8
59.01378	1.8
61.98817	2.6
62.36010	0.8
69.08722	0.8
69.74067	0.8
70.10669	0.8
70.10978	1.5
97.10503	0.9
108.02164	4.1
109.02960	2.0
122.03727	0.9
130.04198	1.2
135.04504	1.8
145.02917	1.1
146.03720	11.2
147.04486	2.5
148.05313	1.3
149.06013	1.0
158.03662	1.0
159.04472	5.2
160.05316	1.2
161.06096	1.5
163.04060	1.1
172.05328	7.5
173.06044	12.1
173.26263	0.8
174.03212	38.2
174.06853	2.3
175.03992	5.8
175.07619	2.3
176.04791	18.7
177.05338	0.8
183.04553	1.5
184.05264	1.2
185.06107	2.4
186.06873	2.8
187.03972	4.9
187.07635	3.2
188.04785	3.5
189.05460	1.6
191.03503	1.6
197.06123	1.2
198.06772	1.0
201.05627	5.4
201.09221	3.2
202.06314	4.4
209.11798	1.0
213.05554	1.1
215.10643	0.9
227.10712	1.3
229.12305	2.6
243.13936	1.1
245.15445	0.9
253.12303	2.2
255.10185	1.2
255.13855	5.7
271.13370	15.1
272.13660	1.4
273.11411	0.8
281.11819	23.0
282.12177	2.0
286.04263	1.9
289.14450	4.0
299.12869	63.7
300.13269	5.7
316.13043	1.1
317.13925	100.0
318.14249	9.0
331.15378	2.3
349.16589	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	349.1868
Annotation	6,7-Dihydroxydihydrolinalool 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01868	1.3
56.07583	0.3
57.03449	0.6
59.01381	13.5
69.11717	1.9
71.01012	0.6
71.01383	8.9
73.02943	2.6
83.01396	1.8
85.02954	3.6
87.00914	0.7
89.02474	2.2
92.21342	0.4
95.01376	0.6
99.00903	0.8
101.02438	6.9
111.00914	0.5
113.02457	2.0
119.03481	0.5
135.04535	0.9
141.12778	0.6
161.02490	1.2
169.12318	1.3
176.03943	0.4
179.03520	0.5
187.13391	37.3
188.13748	1.8
191.05707	0.7
195.75911	0.3
201.14977	0.5
207.57208	0.4
217.12250	0.4
229.14531	0.6
331.17593	1.8
349.18661	100.0
350.19012	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	349.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.2
57.03447	1.8
58.00592	1.0
59.01379	100.0
60.01705	0.8
62.11696	0.5
63.17338	0.5
64.44881	0.5
69.03455	0.8
71.01382	69.0
71.05006	0.6
72.01723	1.1
72.99308	1.5
73.02945	12.1
75.00869	1.0
83.01379	5.8
85.02955	19.3
85.03465	1.2
86.00072	0.5
86.03318	0.6
87.00882	3.7
89.02444	56.0
90.02801	0.6
95.01378	4.6
95.38680	0.5
97.02967	1.2
98.34448	0.6
99.00867	4.6
99.09409	0.6
101.02445	50.7
101.06117	0.8
102.02806	0.8
111.00880	0.7
113.02452	31.6
114.02752	1.0
119.03503	28.0
124.07696	0.6
125.02466	1.1
131.03500	2.9
136.07706	0.7
143.03508	5.9
149.04559	1.9
159.02998	3.6
161.04561	28.5
162.04929	0.6
169.12395	0.9
176.07169	0.7
179.05598	6.1
187.13464	2.3
220.06107	3.7
260.50049	0.5
263.11377	10.0
300.76489	0.7
331.17569	4.7
349.10287	0.9
349.14676	2.5
349.18658	26.9
350.15063	0.8
350.19052	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	349.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44070	0.3
55.01875	0.8
57.03445	1.0
59.01382	12.3
65.56273	0.3
68.99845	0.3
69.03449	0.5
71.01006	0.6
71.01381	9.0
72.99340	0.3
73.02943	2.9
83.01392	1.6
85.02956	3.7
86.00105	0.4
87.00884	1.1
87.12412	0.3
89.02457	2.4
95.01427	0.5
99.00887	0.7
101.02449	5.5
106.11803	0.3
111.00874	0.8
113.02461	1.9
119.03462	0.3
125.02436	0.5
135.04562	0.5
141.12854	1.1
161.02551	0.4
162.02036	0.3
169.12315	0.9
179.03639	0.4
181.47704	0.3
187.13391	33.7
188.13713	1.7
191.05595	0.6
229.14561	0.4
246.24226	0.3
331.17548	1.4
349.18665	100.0
350.18991	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48981	6.2
59.01365	9.3
61.98841	8.8
69.43166	14.5
69.43559	8.7
145.77609	6.3
150.56145	5.8
211.13364	38.5
226.64319	5.9
293.21240	100.0
293.24268	10.4
294.21591	15.7
295.21762	9.8
298.07382	7.3
311.22137	12.5
345.00366	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	349.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.1
61.98818	12.3
70.44441	16.2
88.17777	7.5
93.16733	7.2
280.09155	13.0
293.21109	22.0
301.11118	7.8
311.22220	100.0
349.16904	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	349.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01342	4.4
69.25696	23.2
70.81020	3.8
72.70879	3.9
75.09277	3.9
75.91339	3.6
85.36610	3.8
91.70461	4.2
92.14381	3.8
98.04345	3.6
98.22637	9.0
127.31677	4.2
163.62218	4.0
211.13435	10.0
293.21164	8.6
311.22275	100.0
312.22449	9.4
313.23007	6.2
360.00497	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	350.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05913	0.2
58.40405	0.2
60.50845	0.3
61.98828	100.0
68.27431	0.2
71.09650	0.3
73.80083	0.2
107.01411	0.3
120.86263	0.2
135.04494	1.1
151.00378	1.4
287.05682	1.1
370.23257	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	56.1
69.77176	79.7
96.95982	55.4
98.22544	50.6
105.01733	23.9
133.02954	43.4
141.54280	24.8
142.73082	23.3
152.63155	24.9
159.10262	24.8
173.04437	36.8
191.05550	38.1
192.95856	62.7
206.46434	23.2
223.02911	54.2
253.74783	25.2
265.14804	63.8
291.09161	100.0
307.12329	34.5
318.70425	23.9
337.06146	23.6
351.17047	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1705
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
51.08722	2.9
51.18216	2.6
51.54228	3.1
57.03440	3.9
59.01383	12.1
61.64503	2.9
69.08994	2.9
69.64609	2.9
69.64927	10.8
75.00881	20.6
75.01238	2.9
79.27947	2.6
93.03449	4.8
98.21919	5.8
113.09731	17.9
121.06586	3.2
133.02972	6.5
167.10771	3.8
171.10249	3.8
177.01987	4.1
189.90115	2.9
191.05699	4.2
231.10191	3.3
254.93997	3.0
293.21262	56.5
294.21478	6.2
315.19391	57.9
316.19687	4.7
351.17065	100.0
351.21472	5.0
352.17487	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	351.1705
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
59.01361	2.1
62.90161	1.2
69.50972	4.6
73.68542	1.1
75.00872	24.1
90.15096	1.2
95.05024	7.2
98.22634	2.4
106.14672	1.7
125.21120	1.2
127.87008	2.6
128.87819	4.2
133.02962	1.6
151.93839	1.4
195.13916	8.8
223.13397	5.4
246.12373	5.4
256.13239	1.6
275.20004	4.4
278.11261	7.4
293.21219	44.9
294.21481	2.4
313.02917	2.3
315.02863	1.5
351.00330	3.3
351.17056	100.0
351.21304	3.9
352.17426	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	351.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.3
60.14382	1.1
67.53048	1.1
70.47015	1.0
70.66551	1.3
70.66894	1.6
75.00868	8.1
89.73151	1.1
93.03468	1.7
121.10238	6.6
124.32989	1.1
127.37247	1.2
130.93758	1.3
132.92969	1.1
133.02959	5.3
135.04500	1.3
171.10265	15.7
173.04558	1.6
176.64108	1.2
177.01906	2.3
191.05653	2.6
215.05746	1.5
218.31125	1.2
225.19112	1.2
231.10255	1.4
231.21304	1.4
265.44940	1.1
270.86081	1.3
275.20184	16.1
293.21234	13.4
333.24451	1.5
351.17087	100.0
352.17523	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	352.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
66.58077	1.1
69.23002	2.6
69.23407	4.5
70.77718	1.1
72.89065	1.1
73.70612	1.1
75.83559	1.2
82.74268	1.1
83.05027	1.6
84.04550	1.4
85.02963	2.9
91.93383	1.1
93.03438	1.4
100.04018	1.8
102.05608	8.5
104.05055	4.4
107.04995	2.2
120.08208	7.2
130.06599	1.2
135.04521	7.6
144.08197	3.4
145.15335	1.4
146.06119	40.6
147.06461	1.5
148.04071	8.0
149.06091	1.8
157.05304	5.2
160.07675	1.3
172.07698	7.8
173.04591	2.6
174.05531	3.0
178.08730	57.1
179.03505	5.5
179.09105	2.5
188.07204	1.4
188.10829	9.1
189.08009	1.5
190.05084	1.9
190.08707	1.9
191.05598	22.2
204.10301	42.9
205.10594	2.9
216.06427	1.4
220.13480	3.6
222.07668	3.4
232.09842	7.4
248.09300	4.8
264.12347	2.6
271.05640	1.1
276.08743	7.9
283.83707	1.1
290.10153	1.3
308.11417	23.4
309.11789	2.4
352.10352	54.4
353.10519	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	353.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69495	0.3
51.25467	0.3
59.01381	0.6
62.91755	0.3
67.01881	0.3
71.01393	0.6
72.80045	0.3
81.03464	0.3
85.02951	5.3
87.00877	1.1
91.10509	0.3
93.03445	1.8
111.04547	0.7
112.92019	0.3
127.03995	1.2
133.02939	0.4
134.69563	0.3
135.04515	1.2
154.56007	0.3
161.02400	1.6
173.04527	1.0
179.03481	1.0
191.05606	100.0
192.05913	2.8
268.24863	0.3
298.58139	0.3
353.08606	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87017	0.8
57.03464	1.0
59.01370	3.7
60.99322	1.0
67.01899	4.0
69.03461	1.0
69.71377	3.0
71.01383	3.7
81.03436	1.3
83.05022	1.6
85.02955	12.0
87.00867	2.1
93.03464	29.2
107.05022	1.6
109.02979	2.1
111.00911	1.2
111.04536	7.1
127.04005	2.6
133.02954	1.7
134.03716	3.7
135.04533	72.0
136.04842	3.8
137.02461	5.5
155.03531	5.9
161.02464	4.6
173.04556	100.0
174.04868	4.2
179.03508	68.8
180.03856	4.4
191.05618	81.6
192.05971	3.1
206.89090	1.0
222.38951	0.8
243.73943	1.0
263.20581	0.9
306.88965	0.9
353.08801	16.6
354.09018	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	353.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80547	0.3
54.55521	0.3
56.80476	0.3
59.01371	1.1
67.01870	0.4
69.03464	1.6
69.14642	1.4
69.15044	0.6
70.89131	0.3
71.01370	0.9
71.97423	0.4
81.03479	0.4
83.05028	0.4
85.02950	7.9
87.00875	1.3
91.05540	0.4
93.03466	4.2
93.25023	0.3
99.04517	0.5
102.31799	0.4
105.42343	0.4
107.05029	2.3
109.02970	0.8
111.04520	2.7
113.48438	0.3
115.00311	0.5
117.03501	0.5
127.04004	2.5
131.57285	0.3
133.02959	1.1
134.03758	6.0
135.04527	62.5
136.04834	2.3
155.03537	1.6
158.05937	0.3
161.02425	4.2
162.02803	0.4
171.03000	0.9
173.04573	3.3
179.03496	50.6
180.03859	2.7
191.05612	100.0
192.05986	3.6
217.43835	0.3
239.39595	0.3
285.01315	0.4
310.13159	0.4
353.08759	17.2
354.08707	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	353.0875
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
53.89101	0.7
57.55888	0.6
59.01377	3.5
61.74065	0.7
66.75554	0.8
67.01890	3.6
69.03458	1.4
69.28155	1.9
69.28541	1.4
71.01382	3.8
81.03472	1.4
83.05035	0.8
85.02954	9.3
87.00874	1.9
93.03450	24.1
107.05011	1.0
109.02975	1.3
110.89739	0.8
111.00848	0.8
111.04513	6.3
113.02444	0.7
127.04001	3.0
133.02924	1.3
134.03792	3.8
135.04521	72.2
136.04840	2.6
137.02455	5.7
155.03503	5.1
156.23259	0.9
159.19292	0.7
161.02441	3.7
163.18044	0.7
168.65125	0.7
171.56111	0.7
173.04547	100.0
174.04877	3.4
179.03491	67.9
180.03816	3.7
191.05615	52.4
192.05971	1.6
205.03697	0.7
303.26282	1.0
311.61670	0.7
353.08755	14.9
354.09000	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	353.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34975	1.2
59.01390	2.4
67.01893	2.7
68.99815	8.2
69.03465	6.6
71.01379	2.9
73.02948	1.6
77.28633	1.5
79.46494	1.2
79.83697	1.2
81.03448	2.1
83.04997	6.2
85.02938	10.7
87.00853	2.4
91.05547	1.8
93.03467	9.5
93.96593	1.3
99.04488	1.9
100.87570	1.5
101.02437	7.1
107.05045	8.7
111.04542	2.1
114.01978	4.5
117.07061	1.6
119.04968	1.5
121.02991	1.2
121.06577	2.5
127.04010	7.9
133.02963	2.4
134.03714	2.7
135.03502	2.8
135.04523	46.8
135.08156	13.9
136.04871	1.8
149.06100	2.0
155.03474	2.7
161.02402	7.6
163.03979	2.9
163.07605	3.2
167.07120	8.2
171.02951	6.4
173.04535	17.0
179.03481	40.0
180.03802	2.2
187.07701	6.0
189.09198	2.1
191.05611	100.0
192.05939	4.2
201.77484	1.4
205.01486	1.7
207.06578	3.2
211.06149	1.7
231.06636	3.3
232.65398	1.3
233.08324	1.5
251.05736	1.9
275.05331	1.3
283.04471	1.7
294.13394	1.8
310.94888	1.3
338.79822	1.3
353.08685	12.1
354.15479	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	353.0877
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
57.03442	0.3
59.01375	0.9
61.65568	0.2
69.03471	0.2
69.38223	1.0
70.41920	0.2
71.01371	0.6
85.02951	6.3
87.00897	1.0
93.03465	2.2
98.22566	0.4
99.04501	0.3
109.02937	0.5
111.04511	1.0
120.73272	0.2
127.04001	1.6
133.02946	0.7
135.04486	0.3
161.02457	2.2
171.02991	0.5
173.04549	0.8
179.03531	0.7
179.09329	0.2
191.05614	100.0
192.05963	4.1
327.41553	0.3
353.08807	1.7
354.08502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.7
57.03436	3.8
59.01373	10.8
61.98074	2.9
67.01881	8.8
68.99820	49.1
69.03456	42.6
69.55376	10.0
71.00983	2.9
71.01379	6.2
71.48335	2.8
73.02946	6.7
79.05496	3.3
81.03458	3.6
83.01344	2.9
83.05030	35.4
85.02940	9.7
86.38245	2.7
91.05524	8.4
93.03436	23.9
93.69137	2.5
95.05022	6.7
96.49350	2.6
96.96013	3.5
99.00902	5.2
101.02449	58.7
106.04250	7.2
107.05030	69.8
108.05383	3.3
109.02953	6.3
111.04542	5.0
117.03479	4.1
117.07101	4.0
119.05054	21.6
120.05826	5.7
121.02988	6.3
121.06618	20.4
123.04549	5.5
125.02471	6.5
126.03296	3.7
127.04014	35.3
133.02907	3.5
133.06587	7.5
134.03767	5.1
135.04535	100.0
135.08167	97.3
135.09195	4.0
136.04895	3.8
136.08450	5.7
137.02414	3.9
141.01764	2.9
145.06595	6.7
148.05322	3.6
149.06076	15.7
159.08141	12.6
161.02429	15.1
161.09705	9.1
163.03973	16.0
163.07669	27.7
167.03500	5.6
167.07132	51.8
171.02995	34.8
173.04575	22.3
179.03493	41.1
179.07167	3.9
187.07642	36.2
189.09256	10.2
191.05605	94.9
191.07326	5.6
192.05949	3.3
195.06656	3.6
205.01419	4.7
205.08748	7.5
207.06674	16.8
211.06113	19.9
215.07158	3.3
219.03188	3.4
231.06639	24.4
233.08134	8.1
246.04314	3.6
249.07698	6.0
251.05588	17.6
282.56326	3.2
283.04626	7.6
350.66888	2.8
353.08636	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	353.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.5
60.99289	0.8
67.01890	3.1
69.03432	1.5
70.60587	0.8
71.01378	10.4
78.95892	1.1
81.03449	1.3
83.05046	0.8
85.02970	3.2
87.00873	5.6
89.02444	7.5
93.03454	32.8
94.03795	0.9
95.01400	0.8
99.00871	1.2
99.04492	1.2
101.02436	5.5
105.01910	1.5
106.37115	0.7
109.02934	0.8
111.00870	1.8
111.04520	6.2
113.02457	2.8
119.03493	2.6
127.03970	0.6
130.67810	0.6
137.02420	2.3
143.03452	1.0
155.03494	2.7
162.42567	0.6
165.04051	6.6
173.04544	26.3
174.04825	1.2
176.52980	0.6
191.05626	8.6
248.09151	0.5
353.10864	100.0
354.11154	6.2
365.31061	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1243
Annotation	Fusarenone X
Peak:m/z	Relative Intensity
53.15462	1.5
55.01872	5.6
57.03437	4.4
59.01373	9.7
67.01885	1.8
67.66649	1.3
69.03445	6.7
69.09694	8.5
71.01393	4.4
72.99311	2.4
78.95882	2.5
81.03451	6.5
81.22500	1.4
83.01377	5.3
83.05007	3.5
85.02961	7.2
87.00871	19.5
91.65262	1.4
93.03446	8.9
95.01376	5.0
95.05025	5.1
96.02174	1.9
97.02960	14.6
97.06589	2.4
99.00870	11.5
101.02422	2.1
108.02206	7.9
109.02966	12.5
110.03738	1.4
111.00151	2.2
111.00887	36.2
111.04520	5.0
112.05798	1.5
112.50832	1.5
113.02450	1.6
115.00395	3.0
121.02930	2.8
121.06588	2.6
122.03734	2.6
123.00883	2.5
123.08136	4.4
124.01622	2.5
125.02441	10.1
125.09684	7.2
127.00382	7.3
127.04011	2.7
129.01967	2.9
133.02934	2.5
134.03755	2.7
135.00879	2.6
135.04536	12.2
135.08211	1.8
136.01640	5.9
136.05313	1.8
137.02435	6.7
139.00458	1.7
149.02435	4.8
150.03217	8.2
153.01918	3.4
155.03503	1.9
158.54518	1.5
159.04587	1.5
161.02419	6.2
161.09718	2.1
163.00349	6.2
163.11319	2.0
173.04561	12.0
176.64499	1.5
178.02763	7.3
179.03525	9.7
179.10738	4.9
191.05620	64.6
191.10739	2.3
192.05954	1.5
193.12277	1.7
203.10811	1.7
205.12299	2.0
207.10205	5.6
219.10231	6.5
221.11948	2.8
223.09764	21.0
223.13364	2.1
225.11211	2.6
229.12346	2.2
231.10341	7.2
233.11804	2.0
236.10507	9.1
237.11250	9.3
261.11169	2.7
264.10034	7.9
265.10767	4.9
267.12192	2.0
279.12247	4.7
291.12097	1.6
292.09512	5.7
295.11807	1.9
305.10312	4.0
306.40860	1.5
307.11774	1.7
323.11334	39.9
324.11618	3.4
325.12704	1.6
335.11353	100.0
336.11877	10.7
353.08575	2.6
353.12418	25.0
354.13034	5.2
373.18768	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	353.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
57.03419	0.7
57.43940	0.3
59.01377	5.6
61.13943	0.3
67.01873	0.7
69.00117	0.3
69.31464	1.3
69.31834	0.5
71.01380	4.6
73.02945	3.4
81.03452	0.4
83.01383	1.3
83.05035	0.6
85.02953	10.1
87.00873	1.5
89.02443	1.1
93.02929	0.4
93.03462	3.5
95.01372	0.6
97.02943	0.4
98.22614	0.6
99.00873	1.0
99.04504	0.4
101.02438	4.9
109.02942	1.0
111.04510	0.9
113.02454	2.3
113.23377	0.3
125.02442	0.3
127.03987	1.6
131.03517	0.3
133.02959	0.9
134.03674	0.8
135.04526	8.1
136.04901	0.5
137.02443	0.3
159.02960	0.4
161.02464	1.6
161.04501	1.8
171.02924	0.5
173.04547	3.7
179.03491	7.6
180.03784	0.5
191.05605	100.0
192.05966	3.0
200.75404	0.3
221.10289	11.0
222.10597	0.7
230.97095	0.3
298.59140	0.3
317.07034	0.3
353.08765	2.8
353.14474	9.7
354.14832	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1863
Annotation	Kopsinoline
Peak:m/z	Relative Intensity
58.34235	0.8
59.01379	2.1
69.42638	3.7
75.00869	13.3
96.97250	0.8
103.72945	0.8
113.09792	1.2
179.14403	1.5
191.05591	4.6
195.13898	9.8
227.47681	1.0
232.49991	1.0
277.21747	10.8
278.11133	1.3
278.22116	1.5
295.22763	45.5
296.23166	5.1
317.20975	3.5
353.18640	100.0
354.19064	11.3
378.27267	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2119
Annotation	Guayulin B
Peak:m/z	Relative Intensity
51.18071	0.2
69.35984	0.9
79.95725	0.9
95.95247	0.3
96.96009	6.2
98.21797	0.2
113.17609	0.2
122.97594	0.3
124.88619	0.2
139.41869	0.2
147.08131	0.5
161.06042	0.2
162.06897	0.3
163.11282	92.1
164.11609	5.4
169.12309	0.6
177.09203	70.9
178.09541	4.1
178.11040	0.2
190.10066	0.6
191.05635	1.4
221.71500	0.2
222.08987	0.3
338.18945	0.2
353.21176	100.0
354.21545	14.2
354.26147	0.3
359.46884	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39423	1.4
56.82013	1.3
66.03483	1.8
67.01904	2.9
69.03452	19.4
69.20837	7.6
70.02988	1.6
71.01379	43.4
72.99289	1.9
73.02945	14.2
77.29894	1.5
79.01884	2.6
85.02937	1.6
93.03439	4.9
94.03038	1.6
94.03779	1.5
95.01396	4.4
96.04563	1.9
98.21890	3.7
99.04511	1.9
100.04070	3.4
100.65579	1.4
107.05035	5.7
115.00375	100.0
116.00714	2.8
118.06621	3.3
120.04503	1.6
122.02412	1.6
123.04514	5.8
124.04037	4.0
127.03984	2.8
128.03511	1.9
130.06621	4.3
131.03841	2.1
132.04544	1.9
135.04523	3.6
136.04901	3.4
144.04486	2.2
146.06102	12.6
148.04065	3.1
158.06067	2.0
161.02495	2.3
164.07193	15.7
173.04590	4.3
174.05696	8.2
174.07819	3.0
174.09251	4.0
176.04083	2.5
176.07196	1.4
178.08742	6.3
179.03508	3.0
180.03886	3.2
180.06657	7.0
191.05592	7.9
192.00587	2.1
192.05949	7.1
202.08702	9.5
206.08214	87.7
207.08551	4.5
224.09340	4.6
234.11357	5.4
238.10834	58.7
239.11096	2.4
256.11823	3.2
310.12958	37.2
311.13275	4.6
354.11954	59.6
355.06619	2.7
355.12320	5.2
363.73566	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	355.1189
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
59.01368	0.5
59.95440	0.5
62.90605	0.4
70.10832	1.2
71.01386	0.4
76.40815	0.4
82.50769	0.4
85.02946	0.6
93.03460	0.8
101.02407	0.5
115.05534	1.4
121.02954	1.0
131.05014	1.7
135.04486	1.8
136.01689	0.9
136.04849	0.5
137.02443	1.3
139.03925	0.5
143.05022	6.7
145.06558	2.3
151.04019	1.2
158.03720	2.9
158.36946	0.4
159.03159	0.9
159.04521	27.3
160.05304	100.0
161.02490	1.0
161.05614	5.4
173.06044	3.9
174.06865	9.3
175.07651	20.7
175.09200	1.0
176.07991	1.0
178.43677	0.4
179.03513	0.9
185.23149	0.5
191.05608	1.4
192.00633	1.0
192.05995	0.7
193.01479	0.7
193.06088	1.3
204.04291	4.1
205.04611	0.5
218.05878	3.7
219.06630	20.7
220.06961	1.3
233.08174	0.8
267.06616	0.9
295.05975	0.5
310.08362	0.5
325.07214	0.5
325.10782	0.7
355.11887	51.3
356.12234	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1244
Annotation	galactopinitol A
Peak:m/z	Relative Intensity
54.41398	2.0
55.01857	2.9
57.03439	6.1
59.01375	100.0
61.98832	30.6
69.03413	3.8
70.10034	3.0
70.10339	3.7
71.01379	74.8
72.01721	2.4
73.02951	29.2
75.00871	2.7
83.01372	8.1
85.02941	53.8
85.57600	2.2
87.00876	5.0
89.02441	52.2
95.01394	5.6
97.02955	3.5
99.00855	7.8
101.02439	60.1
102.03813	1.9
105.93693	2.4
113.02458	24.6
115.03986	10.3
119.03485	17.5
125.02424	4.2
131.03487	6.0
135.81935	2.6
139.97263	2.3
143.03499	5.0
161.04543	28.8
171.29657	2.2
179.05641	16.2
191.05597	9.1
192.05884	4.3
193.06056	8.5
203.10529	2.1
221.06628	3.9
223.06180	4.6
223.08229	55.2
224.08609	4.5
233.06696	3.3
235.08185	7.7
295.10211	5.4
355.12387	64.6
356.12784	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	355.1581
Annotation	Dipegine
Peak:m/z	Relative Intensity
56.96962	0.8
70.10437	1.8
70.10756	1.0
84.93875	9.0
99.92583	46.9
100.92619	2.5
100.93359	17.1
115.92077	15.8
116.92857	100.0
117.92860	6.3
117.93608	1.3
129.25371	0.7
225.22168	1.6
226.59993	0.8
231.11002	0.8
246.97670	0.8
259.03912	0.7
263.24420	0.9
311.16864	1.0
325.14743	1.0
343.15918	1.9
355.15796	58.2
356.16025	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	355.2279
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
53.39262	0.5
59.01355	0.5
61.98821	1.4
68.59657	0.5
70.86052	0.6
85.02931	1.0
92.92771	0.5
98.22169	0.8
107.05014	0.9
114.35326	0.5
122.03738	9.9
130.30798	0.4
135.04529	22.5
136.01559	0.6
136.04868	1.2
142.02025	0.5
147.08182	2.5
149.06085	0.8
149.09712	6.8
151.07686	0.6
154.02698	1.2
158.98193	0.6
161.09723	9.4
163.07735	2.5
163.11285	50.0
164.08437	14.5
164.11522	2.9
165.09175	3.2
166.08121	0.6
177.09207	68.6
178.09970	19.4
179.10771	100.0
180.11127	5.7
183.10168	0.6
187.11304	1.9
191.10759	12.3
193.01451	0.6
193.08673	2.5
210.19998	0.5
219.57280	0.5
241.47421	0.5
265.12305	1.8
279.13910	0.9
280.14627	3.5
294.34149	0.6
298.15732	41.1
299.16071	4.5
307.17020	2.4
309.18564	0.5
309.22333	1.7
312.13397	0.8
313.21860	1.1
321.18427	1.2
322.19403	1.9
337.18680	1.0
337.21722	47.7
338.22031	6.7
340.20410	84.3
341.20740	10.0
355.22775	74.7
356.23163	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	355.2279
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
53.86594	1.0
61.98829	2.7
64.38940	1.1
69.47455	4.5
97.77930	1.1
99.92593	1.2
115.96120	1.0
147.08218	1.9
163.11296	3.4
168.08983	1.0
207.11017	0.9
265.12311	1.4
280.14703	7.6
307.16995	2.1
321.18463	1.6
322.19476	1.5
324.06381	1.1
337.21725	100.0
338.22174	14.1
355.22791	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	355.2489
Annotation	13,14-dihydro-PGF2alpha
Peak:m/z	Relative Intensity
59.01369	2.1
61.98830	1.3
69.03452	2.8
73.63686	1.1
83.00332	1.0
83.05013	1.5
97.06602	17.6
128.23615	1.1
151.11301	1.5
164.01140	1.4
165.12958	2.3
192.00661	1.0
193.12321	16.0
193.13869	1.5
193.70142	1.3
197.15364	1.0
201.76201	1.0
211.46233	1.1
221.11780	1.8
225.14964	26.6
226.15262	1.3
253.14415	3.0
257.17609	2.8
286.04956	1.8
305.21161	1.1
321.66837	1.1
323.22467	1.1
337.23679	1.3
355.07196	1.4
355.24887	100.0
356.25192	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	356.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79164	0.7
59.01376	6.2
61.98830	100.0
71.01379	2.4
76.03087	0.6
89.02467	2.4
98.21827	1.3
101.02427	1.0
113.02448	0.9
115.00410	2.3
131.07133	5.1
135.04570	0.9
154.94702	0.7
178.08707	0.8
190.08755	2.3
193.06143	0.8
194.06656	0.8
195.06596	1.0
208.09883	2.0
226.10838	0.7
241.68556	0.7
280.84003	0.7
293.12430	16.6
294.12939	1.0
319.67850	0.9
356.09756	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97618	27.3
55.18879	29.0
59.01357	32.5
63.82681	29.7
64.87301	30.0
69.70508	82.7
92.64585	29.3
93.75123	30.5
94.72072	27.5
98.21908	44.0
99.44392	33.2
210.35628	29.3
288.16055	49.1
318.17139	46.4
356.25195	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18679	0.4
54.85760	0.5
61.98827	100.0
63.34713	0.4
69.35852	0.5
70.00945	0.4
70.45226	0.8
97.03727	0.5
110.63627	0.5
113.72491	0.5
221.15428	0.8
229.77026	0.5
354.73843	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49613	1.2
61.98826	2.3
69.11813	5.7
83.70831	1.0
93.03438	1.6
115.68066	1.4
121.10238	6.0
191.06860	1.2
193.34033	1.1
207.10071	1.5
209.08109	1.3
223.55803	1.2
245.19087	3.0
291.19562	1.4
313.17834	100.0
314.18158	10.4
356.18271	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	356.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52946	6.3
58.53254	5.9
61.98832	100.0
62.01494	6.4
64.27803	5.8
69.58656	6.6
69.58970	19.9
86.36565	7.1
98.22642	14.3
106.20738	6.4
121.02973	10.0
121.50103	6.6
153.59995	6.2
153.61458	7.1
208.19113	6.8
221.43008	6.8
346.56186	7.6
350.49924	8.0
360.97708	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	356.236
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	100.0
70.46437	51.1
70.46746	46.0
91.22061	37.8
98.21921	47.6
101.24642	41.1
121.02921	49.0
125.38381	39.3
258.20288	42.4
261.36020	43.8
321.24200	57.2
357.06525	48.9
376.40842	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.7
59.01374	1.3
68.99810	1.2
71.01373	1.2
71.19849	0.6
78.17906	0.5
81.03453	3.6
82.79646	0.4
83.01385	7.1
85.02961	0.5
93.03462	0.8
95.05029	1.3
97.02966	0.9
97.53313	0.5
101.02413	0.5
105.03464	0.6
107.01417	1.2
113.02470	0.6
114.01950	0.5
121.02954	1.1
123.04527	19.0
124.04880	0.8
125.02447	100.0
126.02776	3.3
128.84358	0.4
135.04530	1.2
137.02454	1.1
139.04005	2.7
149.02443	10.3
150.06862	1.8
151.00381	1.8
151.04002	1.0
161.04570	0.7
163.03998	1.3
164.85732	0.4
166.02731	1.0
166.85439	0.4
167.03497	58.5
168.03815	2.5
177.01880	2.8
179.03531	1.4
180.04343	0.6
181.05080	1.3
182.62097	0.4
191.03500	10.9
192.03940	1.1
195.02988	17.7
195.06625	1.0
196.03329	0.9
209.04558	6.3
219.02995	4.5
221.04555	1.4
237.03934	2.7
269.06824	0.5
287.07745	6.9
288.07950	0.5
329.08774	3.8
357.08279	15.2
357.12494	1.2
358.08743	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	357.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
54.19852	0.2
57.03450	0.4
59.01377	9.2
60.99394	0.2
61.52646	0.2
67.01887	0.4
68.99813	0.5
69.03452	9.6
69.36226	0.4
69.36604	0.6
71.01010	0.3
71.01380	5.0
72.99293	0.3
73.02950	0.3
74.00711	0.2
74.02473	0.2
75.00864	0.3
80.02601	0.2
81.03452	56.6
82.03791	1.7
85.02940	1.4
87.00877	3.1
89.02438	4.7
95.01380	0.7
95.05026	1.6
97.02937	0.2
101.02441	2.1
105.03457	1.5
105.07082	0.3
111.04481	0.2
113.02435	2.5
119.03496	1.7
121.02952	0.9
123.04507	0.9
123.08174	1.4
125.02442	100.0
126.02776	3.3
133.06578	0.3
136.05336	0.2
143.03465	0.4
147.08170	0.8
149.01256	0.2
149.02437	4.2
150.02856	0.3
151.07639	4.9
152.08014	0.4
161.04550	0.3
163.07652	0.3
165.09189	0.7
167.03505	1.5
167.07137	2.3
175.07620	0.4
177.05573	2.6
177.09164	0.2
178.05943	0.3
179.05675	0.3
183.10284	0.5
191.07167	0.4
193.08696	0.7
194.05756	0.3
195.06610	8.0
196.07004	0.4
237.07664	0.8
296.19757	0.2
357.11884	10.7
358.12305	1.2
358.20032	0.4
366.08517	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84505	0.3
53.70074	0.3
56.51809	0.4
57.03433	1.1
58.04224	0.3
59.01366	1.5
60.30035	0.3
67.01890	4.1
69.03455	2.7
71.01373	2.8
71.05027	0.4
81.03459	0.5
83.05022	0.7
85.02933	0.4
93.03457	24.0
94.03821	0.7
98.21898	1.2
109.02956	0.9
111.00871	1.0
111.04523	4.9
111.08114	0.4
112.04819	0.4
115.23403	0.3
132.95784	0.3
137.02444	4.8
139.11232	1.7
149.00148	0.3
154.03218	0.4
155.03490	5.3
173.04544	100.0
174.04903	3.8
183.10239	7.7
184.10558	0.5
239.84781	0.4
255.36961	0.5
268.66324	0.4
286.28607	0.4
292.64453	0.3
357.15506	9.0
358.15881	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.0
59.01378	2.7
59.01612	0.6
60.99291	0.8
67.01888	5.4
69.03429	1.7
69.16454	2.9
71.01384	3.6
71.80554	0.5
73.02985	0.5
74.42154	0.4
81.03452	1.0
83.04998	1.8
85.02924	0.8
87.00855	2.7
93.03458	35.2
94.03776	1.0
109.02934	1.1
111.00861	1.1
111.04529	6.4
113.02485	0.7
121.10214	1.7
123.04526	0.6
136.01634	0.9
137.02435	4.4
149.02441	0.5
151.04079	1.1
155.03523	4.7
160.05287	1.1
161.05644	0.8
173.04550	100.0
174.04924	3.2
183.10263	16.1
184.10588	0.6
185.11829	0.9
191.05600	1.6
223.13373	2.0
225.11389	0.6
251.12881	1.9
268.07626	0.7
284.03113	0.6
318.44418	0.5
327.12256	3.4
357.12219	1.3
357.15656	17.6
358.16058	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.3
59.01374	1.8
59.50517	1.4
61.29370	1.2
69.03458	10.5
69.31727	4.5
69.32143	2.4
71.01370	1.5
71.05000	3.0
73.09119	1.2
81.03459	1.4
93.03468	3.5
108.56673	1.1
111.04506	4.1
111.08152	2.9
113.06086	1.3
125.02444	2.1
139.11292	12.8
155.03444	3.3
173.04584	8.1
183.10263	100.0
184.10599	5.3
196.58792	1.5
200.31287	1.3
299.30286	1.3
301.70337	1.2
357.15503	13.6
358.15604	2.0
379.66202	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
59.98494	0.4
69.03433	0.4
71.01398	0.8
77.72907	0.3
83.05031	1.4
85.02949	0.5
89.02441	0.7
92.25477	0.4
93.03471	2.2
101.02430	0.8
102.05613	0.6
111.04527	2.8
113.02399	0.5
121.10206	0.4
128.03473	0.4
137.02464	0.5
146.04608	1.6
151.74734	0.4
153.09212	1.7
155.03477	3.4
165.09219	4.8
173.04562	4.9
183.10269	100.0
184.10609	5.5
321.15524	2.8
321.18787	0.5
327.12326	0.7
357.11542	0.5
357.15588	5.8
358.16101	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	37.1
59.01385	19.2
65.01707	3.5
65.03962	10.3
66.97758	3.4
67.01895	12.8
68.99835	4.8
69.03458	11.2
71.01406	5.2
71.05026	11.1
73.02969	4.6
81.03459	48.3
83.01382	5.8
83.05028	32.6
84.02176	5.9
85.02948	8.9
93.03467	8.4
95.01413	3.8
95.05035	16.2
97.02958	18.2
97.06599	12.4
98.21805	9.3
99.04527	43.7
106.04289	5.2
107.05045	7.1
108.02174	7.5
109.02966	30.0
109.06567	6.9
111.04504	10.9
121.02964	9.5
122.03779	5.6
123.08157	5.3
125.06058	4.3
125.09727	9.6
135.04599	8.9
139.04048	5.0
149.06052	9.2
150.91678	4.4
151.07713	5.8
155.10841	7.4
161.02415	8.6
162.96573	4.6
163.11179	5.2
167.07202	3.7
171.10271	56.1
173.04593	7.4
175.11296	7.3
178.06316	6.2
179.03624	4.1
183.10257	4.4
185.11859	6.5
191.14412	9.1
193.12329	26.2
194.61963	4.4
197.11848	4.7
199.13515	4.7
201.11296	6.6
207.13895	4.4
209.11824	23.2
209.15390	5.1
210.12743	4.1
211.13402	15.3
225.14996	5.1
235.13425	40.5
237.14931	5.6
247.13322	6.2
253.14456	37.5
265.14468	5.2
281.13995	6.3
357.13522	6.1
357.22873	100.0
357.27258	5.8
357.60706	3.9
358.23138	15.9
371.81531	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	357.2282
Annotation	oscr#21
Peak:m/z	Relative Intensity
55.01863	0.9
57.03437	1.6
59.01369	2.0
69.03445	2.8
69.50027	2.3
69.50421	1.4
71.05037	1.5
79.59126	0.8
81.03461	1.1
83.05014	3.7
84.02167	6.7
85.02969	0.9
85.06596	1.2
87.04530	1.2
88.53313	1.0
91.25474	0.8
91.75926	0.8
93.03459	1.4
95.05023	7.3
97.06592	2.0
103.88694	0.7
109.06583	1.8
111.04494	1.9
113.06075	2.0
115.84482	0.9
120.26907	0.9
123.04581	1.0
125.09750	4.8
135.08185	0.8
135.28026	0.9
137.09686	1.7
153.09297	1.1
162.58893	0.8
163.11395	1.4
165.12836	1.4
171.10277	15.1
175.11218	1.7
192.38806	0.9
193.12341	17.7
194.12679	1.0
199.13403	1.3
201.11241	1.2
209.11792	1.1
211.13434	4.4
225.14958	23.8
226.15201	1.6
243.16042	15.1
244.16319	1.1
249.14946	1.3
251.16525	3.7
253.14346	1.2
269.17548	5.2
289.18015	1.4
289.36823	0.9
320.55264	1.0
321.20523	0.9
339.21747	2.8
357.22812	100.0
358.23169	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	357.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.1
57.50537	1.0
59.01370	3.1
67.01899	1.1
69.03445	3.2
69.17856	1.3
69.18258	3.0
71.01359	1.2
79.05511	0.8
81.03452	3.4
83.01389	1.4
83.05025	5.8
84.02176	6.8
85.02959	1.1
85.06567	1.1
87.04489	3.4
91.84032	0.9
93.03470	1.2
95.05013	6.3
97.02968	2.6
97.06599	2.8
99.04502	2.5
106.04269	0.8
109.02953	1.3
109.06624	0.9
113.06099	2.1
121.02939	1.0
123.08160	1.5
125.09696	5.4
135.04530	0.9
137.09656	1.0
153.09215	1.2
163.11266	2.9
165.12840	1.6
167.10941	0.9
171.10274	14.1
172.10670	1.0
175.11255	1.2
176.36943	0.9
177.12846	1.0
183.10237	1.3
185.11761	1.3
190.21086	0.9
193.12320	13.9
199.13437	1.8
201.11375	1.6
209.11845	7.6
211.13347	4.8
225.14944	16.9
226.15308	1.4
235.13402	2.2
237.14919	1.9
243.15999	9.7
249.14822	1.2
251.16539	4.0
253.14490	2.3
269.17545	9.7
307.19366	0.8
321.20868	1.0
339.21838	2.6
357.22806	100.0
358.23184	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	357.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.8
57.03462	5.3
59.01377	4.6
61.98834	4.5
64.85175	3.6
69.03445	3.5
69.99741	3.9
71.01369	4.8
71.06435	5.1
80.04696	3.2
81.03464	20.7
83.01383	54.3
83.05026	7.4
84.02161	13.6
84.50903	3.5
95.05016	3.6
97.06588	14.3
100.73299	3.8
107.04144	3.7
107.80062	3.9
108.22115	3.1
111.08128	4.2
119.08637	4.8
121.02961	7.9
121.06607	6.2
123.08195	5.2
125.09718	89.7
127.07650	5.7
135.08167	8.4
135.51303	3.6
137.09586	3.3
139.11234	3.4
141.25435	3.1
141.99356	4.6
147.11784	8.1
163.07709	4.3
163.11308	19.9
165.12889	10.7
171.10271	7.0
181.12341	6.1
183.92418	3.7
185.11870	7.7
191.10770	52.0
192.95869	4.6
197.11842	9.4
197.94365	3.4
199.13383	6.7
207.10321	6.6
209.11830	79.3
210.12108	6.3
212.30029	4.0
223.13368	15.5
226.12128	46.2
235.13440	3.5
239.12961	15.5
239.16425	6.1
241.14455	100.0
242.14861	9.4
253.14417	3.6
289.18118	7.1
357.22614	4.9
357.26514	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	11.1
59.01375	12.1
67.01878	3.9
69.03460	7.7
69.43313	16.3
71.01361	3.8
71.05019	7.3
81.03447	38.0
83.01389	51.4
83.05028	19.3
84.02164	10.1
85.02937	10.1
90.00518	3.6
93.03420	6.4
95.05016	15.2
97.02943	5.1
97.06576	13.1
99.04526	24.2
109.06583	4.4
111.04496	5.8
112.05305	7.0
121.06538	5.5
123.08150	6.3
125.09718	81.7
127.07687	7.3
135.08139	9.6
137.09808	4.0
147.11807	6.1
149.06067	3.9
151.07617	16.9
151.95674	4.7
163.11287	22.3
165.12823	12.7
170.30000	3.9
171.10277	19.1
174.21016	3.9
181.12256	4.9
185.11826	6.9
189.76134	4.3
191.10779	53.5
192.95766	6.4
193.12328	11.8
197.11705	4.1
199.13374	4.2
207.10287	7.6
209.11823	75.7
210.12126	6.4
211.13393	11.6
221.11768	6.1
223.13362	13.9
226.12097	45.8
235.13412	18.8
239.12909	15.1
241.14456	100.0
242.14766	8.1
253.14461	9.4
265.14365	12.0
289.18057	7.0
321.17178	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41133	1.2
69.44888	2.7
69.45269	5.6
71.46963	1.6
75.05328	1.2
82.78947	1.3
88.80495	1.3
95.05025	49.3
96.05375	1.8
96.96011	1.6
98.21912	1.9
150.02980	1.7
155.21017	1.4
170.40549	1.4
177.39066	1.3
178.03607	1.9
189.05324	1.9
198.01492	1.3
232.04626	2.6
236.80067	1.4
246.06430	2.1
246.12340	57.8
246.94817	1.2
247.12712	4.6
278.11340	100.0
279.11642	8.7
315.19385	30.9
316.19708	2.9
321.10675	9.8
358.19928	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	358.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	5.2
69.92046	10.4
75.82565	3.6
88.17276	3.6
92.42451	3.8
137.60927	3.7
201.59528	3.7
223.67169	3.7
315.19394	100.0
316.19803	10.4
358.20074	26.4
379.50867	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	358.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
70.93258	3.1
80.63365	1.4
81.06638	1.4
86.27184	1.5
121.06573	2.2
182.64008	1.6
215.10612	1.9
217.12036	4.3
272.13776	2.4
315.19403	100.0
316.19705	11.5
352.24252	1.8
358.19989	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	81.3
60.01707	1.1
65.04823	0.5
68.94533	0.4
69.31611	0.5
69.31890	2.5
90.97119	0.6
95.28896	0.4
98.21880	1.0
99.09315	0.4
132.98186	1.4
137.62973	0.6
156.99924	0.8
157.03558	2.9
159.01443	0.6
174.99243	22.8
201.02553	24.1
202.02664	2.3
217.00288	100.0
218.00574	3.5
261.74405	0.5
274.99542	1.0
283.44208	0.6
317.00565	1.4
359.01489	6.6
360.01645	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0146
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44682	0.4
58.96933	0.4
59.01376	97.3
60.01720	1.2
61.98825	1.3
69.48571	1.8
71.01384	1.8
89.02432	1.1
101.02467	1.2
107.05035	0.6
109.02949	1.8
113.02437	0.9
119.00195	0.5
119.01018	0.4
119.03507	1.0
123.00832	1.0
124.13818	0.4
130.08742	9.6
132.98207	1.6
134.03746	1.2
134.04692	0.4
135.04521	97.9
136.04849	3.6
136.91006	0.5
137.02443	4.0
138.01979	1.4
138.03236	1.6
141.00459	1.0
153.05539	1.2
157.03551	3.3
166.99921	0.6
174.99236	25.2
175.99664	0.5
182.02155	1.4
197.04514	5.8
200.46735	0.5
201.02544	24.0
202.02628	2.4
217.00288	100.0
218.00676	3.3
239.05731	0.6
297.09787	0.8
299.07535	0.4
358.97867	0.5
359.01593	5.1
359.09586	7.9
359.14871	6.4
360.01685	0.6
360.09747	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0982
Annotation	Glucosyringic acid
Peak:m/z	Relative Intensity
55.25702	1.1
57.03453	1.5
58.00567	1.3
59.01379	100.0
69.43594	2.6
69.44006	3.4
71.01383	37.5
76.47705	1.1
83.01395	4.0
85.02953	9.9
89.02449	30.6
90.87939	1.1
95.01395	5.0
100.33752	1.1
101.02442	19.6
108.58522	1.2
109.02978	1.8
113.02435	12.0
119.03483	8.1
121.02975	7.8
123.00884	3.8
137.02402	6.7
138.03226	4.7
139.00351	1.1
139.03952	2.7
149.65796	1.2
153.05579	10.6
155.03400	1.4
161.04587	1.4
165.01877	2.7
166.02678	1.3
166.99879	3.4
180.04340	2.0
181.01414	4.4
182.02182	8.2
183.03009	2.0
195.06665	2.4
196.03766	5.3
197.04543	51.6
198.04918	2.2
211.06175	9.6
224.03271	4.2
239.05588	30.9
269.06717	3.3
299.07751	6.3
321.12909	1.2
344.07684	2.0
359.09824	98.5
360.10098	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	359.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.3
59.01377	4.8
69.03450	1.5
69.28136	1.1
71.01377	3.0
83.05035	0.8
85.02935	1.0
87.00851	1.1
89.02431	1.5
93.03455	2.4
97.96233	0.3
101.02420	0.7
107.05012	0.3
109.06581	2.4
111.04512	2.3
113.02454	1.1
117.07060	0.3
119.03474	0.6
131.13269	0.2
135.04526	0.4
135.08160	10.2
136.08546	0.3
139.11311	2.3
146.35707	0.2
151.00365	0.2
153.08009	0.5
153.09210	7.6
153.10463	0.5
154.09560	0.3
155.03490	2.9
156.07970	0.2
161.02434	0.6
173.04543	4.7
174.04910	0.4
179.03510	0.2
184.60318	0.2
185.11821	100.0
186.12163	6.0
197.08186	13.0
198.08488	0.8
223.40552	0.2
359.13336	4.8
359.17154	7.5
360.13586	0.3
360.17471	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.8
59.01374	2.5
60.99313	0.6
67.01889	4.7
69.03431	1.3
69.07932	1.9
71.01381	2.8
77.02808	0.2
78.94088	0.3
81.03454	0.9
83.05011	1.1
85.02943	0.6
93.03454	25.9
94.03815	0.4
95.32148	0.3
100.81184	0.2
108.47144	0.2
109.02972	0.9
111.00857	0.9
111.04517	4.9
127.03976	0.3
137.02440	4.9
139.11337	0.5
155.03496	4.3
173.04541	100.0
174.04875	3.5
185.11827	17.4
186.12195	0.7
211.13376	0.4
310.38327	0.3
359.17072	14.6
360.17419	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21589	17.9
59.01372	47.7
61.93603	19.4
61.98798	29.2
69.31796	100.0
76.39165	21.5
84.40135	18.9
100.46429	17.7
184.95302	18.1
195.93309	23.7
227.62239	18.2
247.02321	18.2
313.17715	42.9
346.39215	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	359.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	22.1
61.88418	0.5
69.39877	2.4
78.69626	0.6
84.30035	0.5
86.02332	0.7
98.22617	1.1
99.92570	3.0
125.94529	0.6
196.66278	0.5
233.22670	0.7
277.21713	100.0
278.19171	0.7
278.22079	10.5
292.19379	0.6
359.22025	25.5
359.25314	1.1
360.14023	0.8
360.22424	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	359.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	26.4
65.45411	0.7
70.10186	0.7
99.92584	0.9
120.19252	0.9
201.87479	0.8
213.88879	0.8
277.21722	100.0
278.22061	12.3
359.22052	23.4
359.26007	4.5
360.22250	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	15.0
61.98825	9.7
65.54650	6.4
70.03478	11.7
71.01408	6.8
74.44726	7.5
81.03469	21.2
83.01381	50.8
84.02154	10.8
86.84999	7.2
97.06592	8.6
105.88454	7.4
125.09710	44.5
136.47372	7.3
154.09991	20.4
158.77675	6.7
163.11308	26.0
171.10260	31.3
181.12314	10.6
182.73203	7.4
191.10809	38.7
194.92812	11.1
207.10214	20.0
209.11807	89.7
217.00276	13.8
223.13474	10.8
226.12079	44.5
239.12941	14.3
241.14423	100.0
291.19635	13.6
305.17554	11.0
323.22101	17.9
358.96991	32.4
359.96542	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2439
Annotation	oscr#22
Peak:m/z	Relative Intensity
55.59448	1.5
58.60602	1.4
59.01380	9.2
61.98825	3.6
66.69418	1.4
69.78696	1.8
69.79031	4.2
71.01380	6.5
73.02927	1.8
81.03433	1.7
83.05042	1.5
86.42045	1.7
87.11775	1.5
89.02482	1.5
97.06548	1.8
100.78247	1.5
109.06592	5.8
154.29741	1.6
163.11290	3.0
174.99109	1.5
194.92781	2.6
194.95511	1.9
199.09767	3.9
207.10240	8.9
207.13535	1.4
217.00270	2.8
223.20668	79.1
224.21019	7.4
225.11267	2.4
241.21745	2.8
267.19638	62.8
268.20013	5.8
276.93274	2.7
285.20718	100.0
286.21011	10.0
306.14435	1.4
344.06882	3.9
359.24374	56.2
360.24725	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	360.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37824	8.5
71.01376	1.9
74.40508	1.7
92.67044	1.7
121.10243	9.1
185.11816	5.7
206.23325	2.0
207.10089	5.3
225.11407	2.1
245.19051	5.2
291.19662	21.1
292.20013	10.6
313.17841	100.0
314.18188	24.0
336.42670	2.1
360.17868	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	360.215
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91222	0.8
69.67269	3.2
80.11687	0.9
95.05032	9.2
98.21975	1.2
159.19475	0.8
167.46352	0.9
171.25732	0.9
178.03569	1.4
189.94249	1.0
215.10538	1.0
217.12074	4.2
232.04579	1.5
235.12881	1.3
237.14677	1.2
246.06230	1.0
246.12386	4.7
249.22206	2.1
260.11404	1.2
278.11349	8.7
289.25540	0.8
295.22601	1.6
299.19855	1.2
315.19360	1.9
317.20956	100.0
318.21277	9.8
360.14459	1.2
360.21375	15.9
361.20151	3.4
383.86679	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60331	0.6
54.20716	0.6
58.62087	0.6
59.01369	2.8
62.29883	0.6
71.01371	2.1
72.99307	17.7
73.02953	0.7
89.02399	0.9
93.03465	2.4
101.02442	1.1
109.32807	0.6
111.00846	0.8
116.40469	0.6
119.05036	1.3
122.06161	0.6
134.06126	0.8
135.04474	0.8
136.62843	0.6
141.42459	0.6
148.07654	1.7
156.32053	0.7
161.04675	0.9
181.06587	2.1
193.06584	7.2
199.09778	1.4
207.08150	10.9
208.08531	1.2
209.06105	1.1
211.07674	4.0
213.09274	0.7
219.08151	13.9
220.08583	0.8
223.07686	2.6
224.08369	2.0
225.09164	9.1
226.09409	0.9
227.07138	2.0
235.07603	6.6
236.07910	1.1
237.05476	1.8
237.09184	29.7
238.09534	2.9
240.07910	1.0
241.08766	2.2
251.07132	1.8
253.08669	27.8
254.09027	4.0
255.06750	1.8
255.10158	1.5
256.07251	0.6
263.07086	5.2
269.08136	5.1
270.08603	1.0
271.09894	0.8
279.06580	1.5
281.08167	19.4
282.08640	1.8
297.07629	7.5
299.09229	8.9
307.06314	1.8
315.08728	57.0
316.09070	5.3
317.10593	1.0
317.15082	2.5
325.07138	6.0
343.08206	40.0
344.08499	4.5
361.09290	100.0
362.09558	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	361.0929
Annotation	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
Peak:m/z	Relative Intensity
59.01373	3.6
65.93472	0.9
71.01390	2.0
72.99313	15.1
93.03465	2.8
112.51456	1.0
119.27164	0.9
120.08169	1.5
130.33475	0.9
139.36488	1.0
145.74095	1.1
148.04115	1.3
148.07692	2.5
193.06615	6.2
207.08125	9.8
209.06056	2.0
211.07608	2.7
219.08142	13.9
223.07628	1.6
224.08298	1.7
225.09204	10.2
227.06911	1.2
235.07672	7.7
237.09209	29.6
238.09515	2.8
241.08652	1.8
251.07208	2.4
253.08699	24.9
254.09151	1.5
255.06628	2.2
255.10382	2.4
263.07172	3.8
269.08173	6.3
279.06647	1.5
281.08200	18.3
282.08524	2.6
297.07553	7.8
299.06247	1.2
299.09277	7.2
300.09412	1.1
307.06207	1.3
315.08731	54.0
316.09009	6.0
317.15036	3.3
325.07263	5.9
343.08221	39.5
344.08621	3.7
361.09305	100.0
361.13824	6.7
362.09668	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	361.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.5
59.01379	100.0
60.01708	1.5
61.98819	5.1
70.88358	1.7
71.01010	2.7
71.01383	30.7
72.97543	1.9
73.02945	5.3
79.95763	1.6
83.01385	1.8
85.02959	8.5
87.00902	2.9
89.02446	11.5
93.03455	1.5
95.01392	4.9
99.00890	1.6
101.02441	17.2
103.05955	1.5
112.04028	2.2
113.02464	11.5
119.03493	4.3
121.03011	3.5
123.00892	95.2
124.01712	19.1
135.04495	5.3
137.02472	4.3
137.06102	3.1
138.03229	73.3
138.04301	3.5
139.04039	26.8
139.54259	1.4
143.03535	2.0
149.02383	2.9
151.04016	3.2
159.03152	2.5
160.97652	3.0
161.04564	27.4
166.02765	3.0
174.99246	14.3
178.02657	2.8
181.05090	12.2
191.05650	1.6
193.04980	4.1
199.06129	5.1
202.98784	22.7
203.02351	6.2
217.00314	28.8
218.00661	2.3
220.95915	1.7
262.49265	1.5
277.90051	1.4
299.10281	2.1
301.09372	38.5
302.09656	2.0
360.97528	2.4
361.01721	1.9
361.06418	1.6
361.11023	10.1
361.15112	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	361.1502
Annotation	[3R-(3alpha,3aalpha,4beta,5alpha,6aalpha)]-3-[(beta-D-Gulucopyranosyloxy)methyl]hexsahydro-4-(hydroxymethyl)-5-methyl-2H-cyclopenta[b]furan-2-one
Peak:m/z	Relative Intensity
55.01868	1.1
57.03445	1.0
59.01377	100.0
60.01721	0.8
69.41095	3.1
71.01379	40.7
72.96387	0.9
73.02935	1.5
78.94522	0.8
83.01345	1.8
85.02951	9.3
89.02441	38.2
95.01391	3.5
101.02435	28.0
110.98439	0.8
113.02448	14.9
119.03501	14.8
131.03468	1.5
143.03491	1.3
161.04588	1.0
179.05643	1.6
193.51924	0.8
202.98726	0.9
350.25363	0.9
361.15030	85.9
362.15396	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	361.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30980	0.7
55.01876	2.1
57.03455	0.9
59.01380	100.0
60.01708	0.7
65.93483	0.7
69.03452	5.1
69.24570	1.2
69.24962	2.7
71.01382	38.1
72.99321	1.2
73.02950	1.9
83.01408	1.9
85.02943	8.3
87.00856	1.3
89.02442	40.0
95.01404	3.4
99.00899	1.2
101.02443	23.5
113.02452	28.1
119.03506	19.8
119.05054	1.2
131.03548	1.6
137.09724	10.1
140.07182	16.6
143.03558	2.1
153.09253	2.3
155.93892	0.8
161.04544	2.3
163.04063	2.7
179.05676	3.2
181.08662	4.5
280.69916	0.8
289.93323	0.7
343.13986	0.9
361.15045	69.5
362.15399	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	361.1503
Annotation	1-O-beta-D-Glucopyranosylamplexine
Peak:m/z	Relative Intensity
53.93725	0.4
55.01875	1.2
57.03455	1.3
58.00592	0.9
59.01379	100.0
60.01717	1.3
69.03462	2.0
71.01382	47.5
71.25395	0.4
72.01728	1.0
72.99313	1.6
73.02944	2.3
77.20298	0.4
78.72601	0.4
83.01373	2.9
85.02952	10.2
87.00884	1.6
89.02444	48.2
90.02776	0.8
93.03458	0.7
95.01391	4.0
99.00892	1.0
101.02444	32.3
102.02820	0.7
107.08691	2.2
111.04461	0.4
113.02451	20.6
114.02772	0.5
119.03502	22.9
119.05002	1.4
119.08672	6.4
120.99648	0.6
131.03503	2.2
135.04541	0.5
137.06091	0.8
137.09732	2.5
140.07150	1.2
143.03531	2.5
149.04596	1.3
151.07745	0.5
161.04536	2.7
163.04059	1.6
163.07617	5.4
163.08763	0.6
163.11111	0.4
169.08789	0.5
179.05643	2.2
181.05109	1.1
181.08691	2.8
191.05595	0.8
199.09814	0.6
249.26349	0.4
293.12473	1.5
299.09677	0.5
331.13983	14.4
332.14325	1.3
343.13983	16.9
344.14365	1.6
361.15036	89.1
361.59488	0.5
362.15317	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	361.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59822	5.5
59.01380	8.2
61.98815	4.8
69.64053	11.8
73.05679	4.4
79.03448	4.4
97.06589	6.6
106.54510	4.5
109.02934	16.4
111.72366	4.9
127.07715	6.0
130.08733	10.4
131.09055	7.0
133.02934	10.0
135.04503	8.1
151.11272	5.4
153.12901	8.8
161.02516	24.5
173.04478	6.1
179.03427	6.2
197.11790	15.8
199.13350	23.1
202.98738	9.4
209.11742	10.2
211.13356	10.9
215.12801	15.2
223.13350	6.1
227.12886	100.0
228.13232	8.7
229.14362	34.9
230.14957	6.4
307.19147	31.1
323.20526	8.1
325.20270	39.6
361.16440	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76240	6.5
59.01380	10.2
61.98812	9.8
69.98336	11.4
69.98650	12.0
71.80251	7.3
97.06559	6.4
104.70158	7.4
105.52300	8.0
108.53913	7.4
121.06554	10.7
153.09233	8.9
171.10237	45.5
175.03938	11.1
184.68533	8.1
185.11761	13.4
197.11781	14.9
199.13350	16.5
202.98798	9.9
209.11821	22.2
227.12910	52.2
289.18185	12.6
307.19052	23.3
325.20163	100.0
343.15582	8.2
361.16614	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	361.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56680	2.8
59.01382	4.6
61.98833	49.9
65.03971	2.8
69.03433	3.7
69.09081	15.0
69.09492	5.3
71.05019	8.0
79.74150	3.1
79.95784	2.8
83.05022	8.2
89.36575	2.6
89.96875	2.8
90.29012	2.5
90.50604	2.5
97.06594	6.0
121.06603	6.5
123.08211	13.4
126.37637	2.6
135.04509	5.4
135.08151	4.4
141.38167	2.8
161.02451	5.3
171.10272	21.5
185.11832	10.6
201.11284	8.1
209.11845	9.0
223.13445	17.3
227.12756	3.5
235.13478	5.0
245.19138	3.4
249.14877	8.8
267.15964	4.0
283.08807	3.3
289.18130	18.1
299.11771	5.1
307.19186	8.6
317.12927	10.0
323.18683	3.0
325.16275	4.8
325.20172	100.0
326.20499	12.2
361.12234	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	361.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	23.6
65.68323	0.9
69.15385	6.4
79.95766	1.0
99.92589	4.4
279.23294	100.0
280.23648	8.8
361.23608	19.0
361.27719	2.3
362.15579	1.7
362.23788	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.6
61.98831	26.7
63.13863	0.8
69.03449	1.1
71.01379	6.8
85.02946	1.8
89.02444	5.3
99.92595	1.0
101.02431	4.7
113.02444	3.0
118.89986	1.3
119.03513	1.8
135.04491	1.0
136.01666	2.1
137.02443	100.0
138.02777	3.8
142.74333	0.8
161.04532	0.9
163.04037	1.1
191.05792	0.8
191.26147	0.8
290.30777	1.1
299.07700	40.0
300.08069	3.1
303.17447	0.9
323.38306	1.0
362.15448	1.3
363.12772	0.9
363.16779	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	362.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21018	0.6
55.01865	0.6
59.01378	100.0
59.06915	0.5
60.01726	1.2
61.98821	1.1
69.37896	1.5
69.38287	1.3
70.79350	0.7
71.01383	18.4
73.02946	1.8
83.01404	1.1
85.02962	3.0
87.00886	1.5
87.04501	1.2
89.02444	18.2
95.01418	0.8
96.92442	0.6
99.04523	0.7
101.02452	10.6
113.02440	7.1
119.03503	7.4
119.04994	0.9
125.06081	0.7
135.08200	0.9
140.07176	42.4
141.07544	1.4
143.03511	1.1
143.48828	0.6
155.03470	0.6
161.04594	1.9
163.04050	0.9
165.09293	0.7
171.10321	3.0
179.05650	4.5
183.10315	1.9
201.11320	3.5
220.40201	0.8
302.12491	1.5
362.15408	3.8
363.16571	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	5.8
59.05004	2.6
61.98830	5.0
89.69094	2.6
96.96006	3.0
113.09731	10.5
121.06571	2.6
153.11801	2.4
158.56474	2.3
171.10220	2.7
213.19217	2.9
275.20248	3.1
293.21301	32.8
294.21475	19.2
315.19397	100.0
316.19772	32.4
330.21329	3.0
362.19492	26.2
363.19522	2.9
386.81982	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	363.1297
Annotation	Pyridaben
Peak:m/z	Relative Intensity
53.89297	0.9
55.01888	1.1
56.73448	0.9
57.03466	1.0
59.01381	91.6
60.01728	1.0
61.98831	12.6
69.57034	2.8
71.01381	40.3
72.99292	2.4
73.02940	6.0
75.29048	1.0
81.03439	1.9
82.95413	1.6
83.01399	5.1
85.02956	14.7
87.00867	2.7
89.02446	38.3
90.02778	1.0
95.01374	2.5
98.21857	2.0
98.99365	1.4
99.00861	2.1
99.36108	0.9
101.02440	25.7
102.02782	1.3
109.06596	2.6
111.08144	1.5
113.02452	15.2
115.92083	1.0
119.03510	12.8
123.04450	1.2
125.06161	1.2
131.03560	1.1
136.61954	0.9
139.07692	3.2
141.00439	3.5
143.03435	1.3
153.00497	2.5
153.01924	4.2
157.08765	1.5
161.04579	3.2
165.33324	1.0
178.98541	1.2
179.05571	1.2
181.79877	1.0
183.06609	4.7
186.70654	0.9
195.01526	3.1
201.00858	1.1
201.02557	2.2
201.06145	1.5
201.11206	1.1
219.97757	1.7
220.99550	6.0
243.03508	5.8
303.08231	1.4
303.25516	1.1
327.12955	1.1
363.12958	100.0
364.09189	1.3
364.13272	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	363.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54509	0.4
59.01378	0.7
59.32743	0.3
61.98836	0.8
69.03456	24.8
69.11170	2.6
71.01389	0.4
78.85877	0.4
81.88589	0.4
87.00888	1.2
95.05034	2.6
99.04534	0.6
105.03474	0.6
107.05032	2.0
109.02942	0.6
121.02940	0.6
125.06033	1.1
133.02957	11.3
134.03758	7.4
135.04526	100.0
136.04834	3.7
137.02435	1.4
148.05310	1.4
151.07666	1.9
161.02448	39.5
162.02730	2.5
164.95990	0.4
173.04620	0.6
173.06076	0.8
178.02745	0.5
179.03496	82.8
180.03865	3.2
191.05547	0.4
193.05200	0.9
231.10257	1.1
233.08128	0.7
259.09595	0.4
261.07675	8.2
262.08026	0.7
275.09271	2.1
287.09372	0.9
303.12314	2.1
313.10730	3.5
314.11041	0.7
327.21719	2.5
331.11853	69.4
332.12238	6.3
363.14502	3.3
376.02768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89697	0.5
59.70611	0.5
60.35056	0.5
61.98822	1.5
69.03455	25.7
69.08772	1.1
69.09168	2.8
83.33274	0.5
87.00884	0.9
93.03426	0.5
94.30331	0.5
95.05032	2.4
107.05032	2.3
117.03471	0.9
133.02956	12.0
134.03752	9.0
135.04527	100.0
136.04860	5.4
137.02397	1.1
148.05293	1.8
151.07687	1.5
153.01714	0.6
158.09039	0.5
161.02441	40.5
162.02817	2.2
163.03979	0.6
173.04568	0.6
179.03494	82.7
180.03835	4.1
191.05690	0.7
193.05087	0.9
231.10458	0.7
233.08043	1.1
261.07672	8.0
275.09204	2.4
287.09201	0.8
303.12357	2.0
313.10727	3.9
327.21707	2.1
331.11853	72.3
332.12177	7.4
357.34326	0.6
363.14542	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	363.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.6
63.89047	0.5
69.03455	22.5
69.37556	2.4
71.01390	0.6
72.44918	0.7
81.03448	0.6
86.30087	0.6
87.00885	1.1
93.03451	0.8
95.05024	2.8
98.22556	0.8
107.05039	1.9
109.02995	0.8
117.03384	0.7
121.02956	2.8
123.04552	0.7
125.06128	0.6
133.02957	12.4
134.03769	9.1
135.04530	100.0
136.04842	4.3
137.02441	1.4
148.05295	1.6
151.07617	1.2
161.02443	45.0
162.02721	3.5
172.80397	0.7
173.04546	1.1
179.03497	91.5
180.03854	4.8
181.05048	0.8
191.05597	3.4
192.05867	1.0
199.03935	0.6
214.19196	0.7
233.08156	0.9
261.07657	7.5
273.11383	0.7
275.09332	1.4
281.60349	0.8
283.13480	0.7
287.09293	1.4
303.12451	2.7
313.10815	4.9
317.13943	3.4
331.11859	91.4
332.12225	9.3
354.13742	0.6
363.14505	9.6
363.18942	0.8
364.15063	1.3
371.15076	0.9
372.15427	1.1
378.75528	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69527	0.7
59.01374	6.3
59.97738	0.7
69.03458	21.0
71.01409	0.7
71.07695	0.8
74.02486	0.8
83.07780	0.7
86.46807	0.8
87.00867	0.7
95.05021	3.0
96.96005	0.7
107.05046	2.2
117.03456	0.8
121.02926	1.3
125.06126	0.7
131.03430	0.8
133.02960	13.6
134.03754	10.4
135.04530	100.0
136.04875	4.7
137.02475	0.9
148.05328	1.2
151.07678	1.0
161.02446	47.6
162.02798	3.5
176.77621	0.7
179.03499	91.2
180.03796	4.7
193.05110	1.2
207.05086	0.7
233.08572	0.9
244.32593	0.7
261.07672	6.2
275.09265	1.5
287.08902	0.9
303.12415	2.2
313.10919	4.0
327.21567	1.1
331.11874	92.6
332.12195	10.6
363.14423	6.2
387.73801	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
59.01377	20.0
64.50822	0.6
66.79202	0.5
67.92524	0.6
70.80968	0.6
70.81306	0.7
71.01379	11.9
73.02956	5.5
74.75140	0.6
76.60406	0.6
80.77674	0.6
82.71275	0.5
83.01384	1.3
85.02940	4.0
85.22179	0.6
85.89998	0.6
87.00867	0.8
89.02438	12.4
90.02773	0.7
95.01386	0.9
98.04711	0.6
99.04514	100.0
100.04832	2.2
100.05421	0.5
101.02444	9.9
113.02442	7.4
119.03492	7.1
131.03465	0.7
143.03490	1.0
149.04674	0.8
159.02878	0.7
161.04565	4.9
179.05605	2.0
183.10181	1.4
187.84084	0.6
263.11359	5.0
319.17538	1.1
345.15469	7.9
346.15662	0.9
351.08560	0.6
363.16571	38.0
364.16846	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	363.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	59.2
69.35464	5.8
69.35744	1.5
71.01379	30.2
72.99319	1.7
73.02937	3.3
73.19572	1.2
74.55589	1.2
81.02216	1.3
82.02976	2.2
82.60486	1.2
83.01366	1.7
85.02944	5.0
87.00867	1.2
88.63902	1.4
89.02444	33.5
95.01382	1.6
99.04515	100.0
100.04852	3.7
101.02441	20.6
113.02425	10.8
119.03501	19.7
136.04018	1.5
137.15488	1.4
143.03447	2.4
161.04572	5.2
164.03529	2.2
171.10277	1.8
174.21228	1.3
179.05600	8.2
183.10297	8.4
194.04538	1.3
201.11285	3.7
215.10747	1.1
227.83684	1.2
253.23872	1.3
263.11340	5.8
287.10495	6.8
331.09415	2.8
345.15616	9.0
346.16107	1.5
363.16586	67.4
364.16812	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	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14469	0.6
55.01884	4.5
57.03440	2.1
59.01379	44.9
62.18330	0.5
63.68069	0.6
66.84212	0.6
69.17287	1.6
69.17692	1.9
71.01385	23.8
71.01781	1.4
72.99333	1.0
73.02942	10.4
78.12506	0.5
83.01389	7.6
85.02951	12.5
86.00094	1.3
87.00864	2.4
89.02448	15.2
95.01391	2.4
98.21744	1.2
99.00889	2.7
101.02444	26.9
108.98103	0.6
111.00848	1.0
113.02453	9.6
117.80379	0.6
119.03510	6.3
124.68669	0.6
125.02419	0.7
143.03453	1.0
161.04501	1.3
171.10307	0.9
179.05621	1.9
183.10272	1.9
201.11295	1.2
333.15497	3.2
345.15536	46.7
346.15948	3.9
353.81592	0.6
363.16595	100.0
364.16895	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	363.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.3
57.03446	3.3
58.00584	1.2
59.01377	40.7
66.36112	0.7
67.74783	0.6
71.01379	31.4
72.01745	0.7
72.99299	1.6
73.02940	13.7
75.00864	1.0
83.01384	7.4
83.79906	0.6
85.02943	19.3
87.00880	2.3
87.04483	1.9
89.02441	11.7
95.01363	3.5
97.02925	0.8
99.00880	4.3
99.04510	0.7
101.02439	37.4
102.02731	0.7
113.02444	14.0
119.03519	3.7
143.03479	1.7
155.10812	1.2
156.82939	0.8
159.02946	2.0
159.21729	0.8
161.04559	8.0
183.10211	2.1
191.05670	1.2
201.11333	2.2
319.17712	1.9
345.15384	1.2
363.16574	100.0
364.17001	10.1
374.77991	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23988	4.7
59.01359	7.8
60.82465	5.4
61.98813	7.8
71.42707	5.4
78.85101	4.3
83.05028	6.8
108.60888	4.9
163.11212	5.7
171.10252	5.5
200.26053	5.2
209.11823	69.0
210.12263	7.2
258.34213	5.8
292.71930	6.1
307.15817	8.7
307.19131	100.0
308.19537	14.0
309.19705	8.3
325.20093	22.0
327.21649	18.6
357.49274	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	363.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	19.1
61.98838	17.7
65.03956	13.6
70.05263	24.0
70.37103	10.6
71.04998	12.9
91.79831	9.8
96.95976	10.1
97.06577	17.5
98.22557	16.5
101.33286	10.2
104.10698	11.6
121.06577	22.1
123.32645	9.6
125.09683	13.7
171.10310	22.3
185.11824	19.2
197.11852	32.5
199.13426	22.2
199.37990	9.4
209.11862	23.4
211.13409	27.0
214.96948	9.8
215.12834	12.9
227.12912	100.0
229.14403	51.5
235.13432	18.4
235.17064	10.9
281.09152	9.6
289.18039	10.3
307.19138	29.7
325.20135	31.7
327.21634	86.5
348.19186	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	363.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77222	29.3
54.19580	25.3
59.00375	22.9
59.01372	25.5
69.15164	72.0
69.15584	100.0
72.20924	25.2
84.15405	24.3
84.74905	26.4
116.92934	29.2
118.10197	28.3
132.46640	27.0
167.44426	29.9
315.44785	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08652	1.0
59.01380	1.2
61.98837	1.2
76.64678	1.0
95.05018	3.9
98.22609	2.3
100.23086	0.9
113.09720	1.9
119.82430	1.1
142.32021	1.1
154.26871	1.0
179.10799	1.0
181.12288	1.1
195.13869	9.6
196.14229	3.4
277.21701	6.7
278.11447	2.9
278.22070	3.7
290.04675	1.2
295.22784	35.8
296.23123	25.0
303.26981	2.6
317.20938	28.2
318.21252	7.9
347.25879	100.0
361.20087	2.1
364.21094	37.4
365.21591	3.8
365.26904	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06453	2.0
56.23167	1.7
57.03440	2.0
59.01374	8.6
71.01387	20.4
72.99284	2.9
73.02914	2.6
80.40798	1.9
85.02954	9.6
87.00884	5.1
88.95471	1.8
89.02429	3.3
93.03463	2.8
99.00884	10.9
100.99110	1.9
101.02459	2.2
111.00884	5.5
111.04533	4.1
112.98806	20.4
113.02493	2.8
115.00374	18.5
119.47227	2.0
124.98809	3.5
127.04057	3.1
129.01939	4.3
133.01443	16.3
133.02931	3.3
142.99875	17.6
155.03485	2.0
159.01006	16.3
160.04054	5.1
166.83618	1.8
173.00906	17.1
173.04561	9.0
191.05605	100.0
192.05896	3.0
207.92274	2.3
267.81299	2.1
329.08441	1.8
329.12390	1.8
365.04800	3.9
365.09058	4.1
366.09451	1.9
366.14218	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	365.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17833	0.9
59.01379	22.7
69.25254	2.0
69.25656	2.7
71.01384	11.3
73.02947	2.5
75.00874	1.2
76.45620	0.8
77.03951	2.6
83.01371	1.2
85.02952	3.6
86.46633	1.0
87.00885	1.2
89.02441	8.3
89.03960	1.5
93.03444	0.9
95.05045	6.1
101.02443	5.9
105.03459	17.5
109.02905	1.6
113.02474	4.3
119.03482	3.6
123.04525	1.4
133.02957	100.0
134.03249	4.3
135.04497	11.4
138.57401	0.8
141.09212	2.9
145.51671	1.1
149.02452	2.0
151.03967	1.3
161.02362	1.6
161.04544	2.0
177.01930	47.9
178.02306	2.2
178.55505	0.9
179.03477	1.7
179.05656	1.2
185.08197	2.2
185.77032	1.2
191.05649	3.7
203.12756	1.3
233.10336	4.3
305.06552	4.1
365.14099	6.3
365.18015	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	365.1497
Annotation	Scandine N-oxide
Peak:m/z	Relative Intensity
51.13997	5.4
54.51406	4.8
59.01373	13.3
66.11597	5.3
75.00860	18.0
90.65749	5.6
97.05944	4.6
102.08997	5.3
109.06593	16.2
110.53273	4.5
111.04517	11.2
114.29552	4.3
125.73817	5.1
133.03909	4.8
165.28188	5.3
195.13902	6.0
217.12090	6.0
245.07721	4.8
245.10304	5.9
245.19150	6.6
289.18082	100.0
290.18506	8.3
291.19559	6.7
307.18945	8.7
308.19586	5.6
311.16345	6.1
327.21484	7.5
329.17343	80.9
330.17642	6.7
352.36682	6.3
365.14960	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
59.01380	59.5
59.46941	0.7
60.01687	0.9
69.11074	4.2
71.01379	13.0
73.02946	48.5
74.03284	0.8
75.00878	0.6
83.01383	3.0
85.02946	6.7
87.00900	1.4
89.02449	3.6
99.00874	2.0
101.02450	16.2
113.02452	6.9
119.03523	1.5
159.03003	1.6
161.04584	4.7
166.97488	0.7
181.76492	0.7
273.24896	0.8
291.14603	2.1
305.16013	3.0
313.16061	0.7
365.18140	100.0
366.18524	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	365.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85510	0.4
55.01870	2.2
57.03439	0.9
59.01379	12.0
70.03487	0.7
70.03851	0.8
71.01379	10.0
73.02943	100.0
74.03264	1.8
82.49982	0.4
83.01381	2.2
85.02948	7.3
87.00882	1.1
89.02428	2.4
95.01377	1.2
99.00874	1.3
101.02440	11.7
111.00900	0.4
113.02447	4.6
119.03476	0.5
159.02925	0.5
161.04543	3.3
173.11902	0.5
185.11670	0.6
291.14481	4.1
292.46451	0.4
335.17297	1.3
347.17133	1.5
365.18130	92.2
366.18463	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	365.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95609	1.9
59.01376	5.5
62.61703	1.9
69.59083	5.8
69.59449	3.6
121.56184	2.0
131.48988	1.7
146.65401	2.4
154.48515	1.8
169.27461	1.9
171.10335	3.7
195.13927	6.1
196.14514	2.3
223.13419	8.2
256.13211	2.8
275.20218	12.8
293.21237	100.0
294.21622	10.4
327.21667	3.6
329.23254	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2331
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
57.03452	0.9
57.21581	0.5
59.01369	3.1
61.98830	0.6
75.00894	0.5
95.05032	1.7
109.06608	0.6
111.08156	9.7
112.08430	0.6
113.09747	0.5
117.87484	0.5
135.11856	0.8
137.09689	1.1
144.45033	0.5
167.10773	2.7
177.12845	2.9
179.10777	2.0
193.35266	0.5
195.13895	5.9
196.14232	0.6
231.29987	0.5
247.20601	2.7
254.76842	0.6
255.87361	0.5
267.19623	2.0
273.18573	1.4
291.19653	100.0
292.19977	11.2
292.23065	1.0
326.06931	0.9
347.25778	0.7
365.16357	2.4
365.23383	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	365.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30544	0.2
55.01868	0.8
66.96774	0.2
69.52019	0.9
71.05029	0.3
76.04037	0.2
78.52086	0.2
83.05035	0.3
90.15794	0.3
91.63734	0.3
121.41660	0.3
153.12892	0.6
155.14426	0.9
163.11285	2.3
165.12856	2.9
181.12344	1.4
199.13391	29.9
200.13708	2.0
252.65944	0.3
266.70523	0.3
266.96152	0.2
279.19550	0.6
326.32144	0.2
347.25888	3.7
348.26447	0.7
363.25449	0.4
365.26938	100.0
366.27289	13.3
369.02615	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06728	0.5
62.39458	0.4
69.30457	1.0
69.30865	1.2
71.61186	0.4
85.06588	3.2
101.21723	0.4
118.71421	0.4
124.10030	0.5
199.13333	2.2
218.57446	0.5
261.18549	0.9
279.19644	17.9
280.20013	2.3
347.25934	6.7
348.26129	1.0
363.25394	0.8
365.26947	100.0
366.27298	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2695
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
65.34237	0.5
77.73762	0.5
77.87556	0.5
78.44021	0.5
94.27158	0.6
98.21786	1.0
137.06207	0.9
165.09323	1.5
179.10796	0.8
224.41666	0.5
259.20612	0.6
278.22079	0.6
279.19754	0.9
296.23230	1.4
297.23343	0.8
303.27029	1.9
318.21179	0.8
321.27740	0.6
347.25900	100.0
348.26254	14.8
365.21640	3.1
365.26923	36.0
366.27246	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	365.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71055	1.7
70.66178	2.6
85.54369	1.8
89.14826	1.7
145.39597	1.8
199.13400	9.6
279.19724	8.5
347.25839	26.5
348.26239	4.3
365.26932	100.0
366.27365	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	366.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70840	0.2
59.01372	1.3
61.98825	0.4
62.35259	0.2
69.36572	0.8
71.01394	0.2
105.46193	0.2
116.05067	3.2
117.84457	0.2
132.04593	0.2
140.07144	0.2
143.70415	0.2
159.03279	0.6
160.04044	100.0
161.04395	5.2
185.43294	0.2
204.03040	4.1
205.03430	0.3
276.51657	0.2
330.11996	0.3
366.08273	20.8
367.08630	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
57.03453	1.2
59.01381	16.0
60.18067	0.5
60.99305	4.3
61.98822	1.3
67.01892	14.8
69.03453	3.6
69.85532	1.7
71.01386	4.7
72.99317	3.6
73.02942	1.1
81.03471	1.7
83.01385	3.7
83.05031	1.4
85.02959	18.1
87.00882	12.5
89.02446	1.5
93.03461	61.2
94.03796	2.1
98.22610	0.6
99.00881	2.6
99.04516	1.4
101.02448	2.3
109.02905	1.0
111.00888	100.0
111.04516	9.2
112.01214	2.5
113.02444	1.6
115.04037	0.7
129.01958	6.9
134.03755	19.5
137.02484	0.8
143.03493	0.8
149.06088	0.9
154.99870	14.4
155.03481	2.1
172.99399	1.1
173.00929	32.9
173.04547	40.7
174.01215	0.8
174.04919	1.6
178.02722	0.8
188.40654	0.6
191.05638	9.9
193.05061	7.1
307.17661	1.2
366.18674	1.1
367.10349	28.3
367.18692	1.8
368.10660	2.6
380.04837	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41134	0.3
53.48147	0.2
57.03448	0.6
59.01384	2.1
60.99301	1.3
67.01889	4.8
69.03447	1.6
69.36544	1.2
69.36920	0.6
71.01379	1.5
81.03455	0.9
83.05010	1.1
85.02956	5.2
87.00875	6.7
89.04014	0.4
93.03461	27.6
94.03786	1.1
97.02914	0.3
98.21925	0.5
99.04533	0.4
109.02957	0.7
111.00870	0.4
111.04521	3.7
113.02421	0.5
117.03494	1.5
127.04028	1.4
129.01955	0.5
134.03740	12.6
135.04091	0.6
149.06062	0.7
155.03487	0.5
160.01701	0.5
173.04546	13.2
174.04842	0.5
175.03979	0.7
191.05617	100.0
192.05936	3.1
193.05066	5.6
197.41127	0.3
288.44482	0.3
300.61777	0.3
367.10294	4.9
368.10464	0.4
378.78015	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.5
63.29496	0.3
63.39828	0.4
67.01885	1.5
69.03448	0.6
69.39445	1.9
71.01374	1.3
83.05041	0.6
85.02950	8.1
86.03236	0.5
87.00887	2.8
93.03465	6.4
109.02954	0.6
111.00880	1.2
111.04514	1.6
121.02866	0.4
121.60741	0.4
122.86119	0.4
127.04015	1.6
128.70108	0.3
134.03732	3.4
149.02473	0.5
169.47066	0.4
171.02986	0.6
173.00876	0.4
173.04527	3.7
191.05615	100.0
192.05966	4.1
193.05031	1.5
199.17975	0.4
297.06134	0.6
367.10251	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	367.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.7
59.01379	10.4
59.01663	1.1
60.99299	5.9
61.98852	0.6
65.03976	0.5
67.01888	16.0
69.03461	3.8
69.25722	2.6
71.01382	6.0
72.99298	0.6
78.60429	0.6
81.03443	3.4
83.01402	0.6
83.05035	1.6
85.02955	5.0
87.00877	22.4
88.24439	0.5
93.03458	100.0
94.03782	3.0
98.22626	1.0
99.00900	3.0
99.04517	1.9
101.02452	1.5
109.02937	0.9
111.00882	19.8
111.04517	14.8
113.02443	1.9
115.04014	1.1
127.90044	0.5
129.01938	4.1
134.03745	28.3
135.04137	0.6
137.02412	0.8
143.03523	1.4
149.06084	2.3
154.99857	2.5
155.03487	3.5
168.33725	0.6
173.00995	5.6
173.04555	63.0
174.04913	2.6
178.02730	2.2
191.05627	5.1
193.05046	10.0
264.02588	0.7
307.17645	0.7
366.18597	1.0
367.10303	49.2
367.17834	1.4
368.10626	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	367.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	67.4
61.98828	87.1
67.01877	5.6
69.03481	4.4
71.01374	49.4
71.45363	3.8
73.02949	13.3
73.41343	3.5
75.00836	4.0
75.36749	3.4
83.01385	6.6
85.02942	20.1
87.00878	5.9
89.02438	23.4
92.97544	3.9
93.03459	27.2
95.01416	4.6
95.47762	3.7
101.02459	41.9
111.00890	11.8
113.02476	21.2
117.03456	10.0
118.27118	3.8
119.03489	5.8
125.02462	5.0
134.03748	88.2
145.08704	6.8
145.34041	4.4
149.06100	7.6
159.02963	5.7
161.04539	15.4
173.04567	18.9
179.37263	4.2
188.19313	4.1
191.05611	90.8
193.05046	100.0
205.03569	7.3
205.14488	7.2
228.70746	3.8
235.11819	21.2
324.92673	4.7
356.25113	4.7
367.10971	25.4
367.15878	13.3
367.19836	56.9
368.20258	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	367.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04379	5.5
59.01379	61.7
61.98832	75.7
62.04750	5.2
66.14295	4.6
67.09585	4.4
69.18250	32.2
71.01385	44.6
73.02918	17.2
73.04910	4.8
83.05009	5.1
83.69217	5.3
85.02940	14.7
87.00861	9.6
87.04500	7.9
89.02436	21.1
93.03450	23.0
98.21851	10.8
101.02444	38.0
111.00890	11.3
111.04478	5.7
113.02450	18.1
117.03457	11.2
119.03500	7.3
125.02451	8.6
134.03745	90.0
145.08737	8.8
154.06332	4.7
161.04538	16.3
173.04483	14.1
179.05635	6.0
191.05611	100.0
193.05045	96.8
193.71286	4.6
205.14474	8.1
224.63766	6.2
235.11829	20.6
250.97270	6.4
277.84442	6.5
317.93228	5.5
351.28183	5.9
367.11060	27.8
367.15961	12.4
367.19818	48.3
368.20038	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	367.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.8
61.98820	11.0
80.11822	2.3
87.27586	2.8
96.95975	2.6
121.36598	2.7
179.29541	2.4
195.13826	5.4
223.13551	6.2
231.21019	2.5
275.20047	2.5
293.21222	100.0
294.21509	6.8
330.05457	11.2
366.27261	2.7
367.14410	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	367.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.4
57.03448	3.2
59.01379	39.6
60.99286	0.7
61.98808	1.8
67.01874	1.7
69.03452	2.1
69.11758	3.7
70.49644	0.6
71.01382	47.4
72.01688	1.0
72.99287	1.0
73.02944	31.2
75.00872	1.3
77.91600	0.6
80.85580	0.5
81.03452	1.4
83.01392	10.9
83.05028	0.7
85.02955	28.6
86.00072	1.4
86.03271	0.8
87.00879	6.0
87.54019	0.6
89.02442	10.5
93.03455	9.8
94.97437	0.7
95.01373	3.2
96.25229	0.6
97.02956	3.3
99.00882	10.2
101.02445	59.8
102.02772	0.7
111.00888	7.4
111.04479	2.2
113.02447	21.7
115.03992	2.2
117.03478	1.0
125.02442	3.4
127.00338	1.3
127.04041	0.8
129.01930	2.4
131.03458	2.6
134.03743	14.3
143.03452	1.6
149.04468	1.4
149.06081	1.2
154.99837	0.7
155.03499	0.9
159.02989	4.0
161.04558	17.2
167.56670	0.7
173.00945	1.4
173.04539	4.2
181.01512	0.7
191.05620	34.3
192.05920	2.1
193.05066	11.7
194.05246	0.7
196.43851	0.6
204.77533	0.6
231.25832	0.7
233.06703	2.2
235.11858	100.0
236.12201	6.1
285.41241	0.6
329.27106	0.7
367.16080	87.8
368.16400	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	367.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.3
57.03443	4.2
59.01378	42.3
61.98829	13.7
67.01877	0.8
69.03448	1.6
70.53780	1.3
71.01381	51.4
72.01707	0.9
72.99309	0.8
73.02947	33.3
75.00860	1.5
81.03452	0.8
83.01389	11.7
84.01714	0.8
85.02950	30.5
86.00101	1.0
86.03249	0.7
87.00878	3.6
89.02444	15.2
93.03452	2.8
95.01379	3.4
97.02961	2.3
99.00879	9.0
101.02441	59.7
102.02788	1.4
111.00843	1.6
113.02451	23.8
115.03978	1.2
117.03457	0.7
119.03496	2.7
125.02437	2.6
129.01935	2.0
131.03500	4.4
134.03749	4.7
137.15080	0.6
141.01810	0.8
143.03510	3.5
149.04541	1.5
158.43640	0.7
159.03009	5.2
161.04559	22.0
166.43025	0.7
173.04498	1.1
179.05565	1.0
191.05632	9.2
193.05019	3.5
205.14439	1.0
233.06644	1.8
235.11859	100.0
236.12196	6.1
247.33076	0.7
293.08737	0.8
367.16040	99.5
367.19482	4.2
368.16382	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	367.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50947	1.2
59.01372	1.5
61.49825	1.2
61.77116	1.3
61.98825	3.9
62.69097	1.1
69.03444	1.5
69.16293	4.5
72.54440	1.2
75.00871	9.0
94.29906	1.4
111.08153	8.6
127.54458	1.4
169.12344	3.2
181.12357	1.3
197.11824	35.7
198.12137	1.6
211.13434	4.0
219.10025	5.2
233.11620	4.1
263.20154	2.3
268.94675	1.3
269.08041	5.5
291.19714	3.0
309.20718	25.4
310.21143	2.8
331.18652	1.9
367.16565	100.0
368.16867	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	367.1654
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
59.01377	2.9
61.98834	9.4
69.46907	4.5
69.47318	2.6
75.00883	11.0
111.08150	8.4
114.26289	1.6
118.89972	2.3
149.41139	1.5
169.12289	5.4
197.11827	35.3
211.13422	5.0
219.10068	2.2
233.11638	6.5
242.11981	1.6
269.08054	4.7
291.19681	6.5
309.20709	19.5
367.16565	100.0
367.20642	3.7
368.16962	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	367.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02479	4.7
59.01385	8.4
59.98518	12.4
61.98827	23.7
69.09409	29.9
73.95397	46.1
74.96178	54.1
75.00868	10.2
89.94897	100.0
96.98512	5.0
107.00032	5.7
115.96483	55.3
122.69059	5.3
128.97272	24.4
131.35420	4.7
134.66379	5.3
135.04541	38.5
157.00356	45.4
171.10188	7.6
231.06622	22.3
232.04826	18.3
240.08945	11.0
241.11646	4.8
263.16574	7.3
265.18103	24.1
281.09183	8.6
285.14722	19.4
291.19717	18.5
293.21237	7.8
313.17847	65.3
314.18127	8.2
315.19394	15.6
349.23853	22.7
351.15677	7.4
351.47427	5.3
367.11993	9.9
367.16431	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2641
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
52.06377	0.3
61.98834	1.7
86.03177	0.4
96.96031	0.6
98.22335	0.3
133.06593	9.1
149.09715	74.9
150.10060	3.9
162.10495	0.6
191.05577	0.3
194.09499	0.4
205.15968	42.5
206.16275	3.7
206.33836	0.4
258.01108	0.4
270.12891	0.3
295.17023	3.3
296.17575	1.0
328.16754	2.8
349.26404	0.4
367.26392	100.0
368.26712	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	367.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60564	0.5
61.98823	1.3
64.89124	0.7
69.95123	0.7
69.95429	0.9
85.99925	0.4
96.32833	0.6
119.28417	0.5
133.06602	2.8
149.09720	100.0
150.10043	5.5
155.25237	0.5
189.12894	0.9
205.15973	99.6
206.16319	7.8
214.02602	0.6
237.12230	0.5
279.29889	0.6
306.41251	0.5
306.66772	0.5
317.96140	0.5
367.26407	96.7
368.26776	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	367.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01350	23.7
61.98819	100.0
69.72960	65.7
94.84338	19.5
96.95987	25.8
98.22080	61.6
115.26454	18.7
116.92876	24.7
206.71341	25.1
217.05894	19.3
367.28271	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	1.9
89.25535	0.4
96.96003	0.5
97.93150	1.0
99.92585	42.8
100.92591	2.3
100.93292	2.5
115.92078	6.0
116.92068	0.7
116.92856	6.5
117.92799	0.4
118.89977	100.0
119.89985	5.2
119.90765	2.9
134.89497	3.9
135.90254	16.4
136.90269	0.6
150.88928	1.9
169.96696	0.8
181.48029	0.4
181.95506	0.5
189.08011	0.4
237.57570	0.5
260.13098	0.4
287.30051	0.4
332.10791	9.3
333.11081	1.6
368.08499	32.5
369.08670	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	368.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	35.3
60.01690	0.9
61.98830	100.0
64.07614	0.5
67.01900	1.0
69.55415	2.3
71.01382	16.8
72.99315	0.8
73.02953	1.0
85.02961	2.5
87.00876	1.7
89.02444	21.1
93.03481	3.2
95.01408	1.0
101.02450	7.9
107.61632	0.5
113.02457	6.7
116.05070	1.8
119.03505	10.1
128.98839	0.7
130.14047	0.5
131.03561	0.7
133.02948	4.0
143.03551	1.3
144.04553	59.2
145.04913	3.1
146.06160	1.9
160.04099	2.0
161.04480	2.0
162.04698	0.8
173.04546	4.0
177.01903	0.7
179.05653	2.7
188.03583	2.3
191.05592	6.1
195.03024	0.8
292.54538	0.6
309.15314	0.6
311.68646	0.6
330.11798	0.7
338.07068	0.6
345.23322	0.6
351.07266	1.1
368.09766	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	368.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.6
61.98836	1.1
66.03484	2.4
67.01883	2.6
68.01398	0.9
68.99840	1.0
69.03456	22.1
70.75523	1.0
71.01392	1.2
71.44900	1.0
73.02941	12.7
76.08167	1.0
84.04546	2.2
85.02946	4.9
93.03420	1.0
94.02974	1.7
95.01405	3.0
96.50337	0.9
99.04524	1.1
101.02481	1.4
104.05079	2.4
106.77416	1.0
109.87310	0.9
116.05032	1.1
118.06637	4.9
119.05041	1.8
120.04559	1.9
121.06590	1.2
123.00878	1.2
123.08049	1.0
124.04044	8.2
127.04120	1.3
128.03546	11.7
128.05061	1.4
130.06619	5.8
131.03752	2.2
132.04555	1.4
133.02756	1.0
134.03758	2.0
134.06155	1.3
137.04855	1.1
138.03249	1.4
146.06123	15.8
147.04515	2.0
147.06477	1.0
148.04025	3.9
148.07692	1.3
149.02437	1.0
150.05569	1.3
152.03558	1.4
159.03241	1.3
162.05638	3.9
164.07156	17.0
165.04414	1.0
172.07706	1.2
173.04500	1.0
174.05595	16.5
176.07152	1.9
178.08714	6.7
179.07216	1.5
188.07188	2.4
188.10713	1.2
204.10275	2.9
206.08215	100.0
207.08566	6.1
208.09782	3.8
216.10320	3.0
238.10818	30.8
239.11304	2.0
246.17975	1.1
248.09213	1.7
248.12810	1.4
260.09268	1.9
292.11929	1.8
324.14523	40.2
324.18463	2.1
325.14948	3.3
336.10934	5.4
341.45728	1.0
350.12662	1.5
368.13501	93.9
369.13745	8.9
381.34521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
64.80118	0.6
65.73389	0.6
68.11877	0.7
69.55670	2.7
69.63094	0.7
80.71265	0.6
92.77715	0.7
114.42083	0.7
118.04125	0.8
125.31038	0.7
129.08398	0.6
145.71661	0.7
153.44113	0.7
169.05620	0.8
215.02905	0.8
215.05081	0.6
249.35313	0.8
283.39215	0.7
286.24063	1.1
324.18112	1.1
326.40982	0.7
369.16385	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.6
61.98829	100.0
67.74668	1.3
87.72015	1.3
88.95692	1.3
95.97131	1.2
145.29953	1.5
171.10268	2.6
228.79131	1.6
293.21487	1.5
294.21628	1.7
311.22302	1.6
325.60510	1.6
369.18079	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	368.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.28271	0.8
69.48857	2.6
79.95736	0.9
88.71782	0.8
100.51652	1.0
107.50544	0.9
193.30896	0.9
295.62292	0.9
318.68256	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44371	0.7
51.38580	0.8
53.26742	0.6
57.03436	0.9
59.01377	11.0
60.99300	3.4
61.98819	3.2
67.01886	11.2
69.03447	2.2
69.48136	3.6
71.01373	5.5
73.02965	1.3
77.55900	0.8
81.03445	2.5
83.05034	1.2
85.02953	9.8
87.00869	15.7
87.01370	1.2
93.03455	69.8
94.03783	2.2
95.04996	2.1
98.22545	1.8
99.00903	1.6
101.02445	1.2
103.03044	0.8
105.03444	6.8
107.05035	4.2
109.02950	6.1
111.04520	11.1
113.02451	1.5
123.04503	2.9
127.03996	1.8
127.96068	0.7
129.01958	2.2
133.02954	67.7
134.03284	1.9
135.04486	3.0
137.02498	1.1
145.06174	0.9
146.06085	1.2
150.03178	0.8
151.04002	3.3
155.03526	3.4
164.07149	2.4
173.04541	58.4
174.04890	3.0
177.01915	13.6
178.02194	1.0
178.08644	1.4
179.03490	2.1
189.06677	1.1
191.05608	100.0
192.05956	4.4
195.02985	14.1
215.05600	11.7
251.59242	0.8
265.11923	1.1
280.48010	0.9
302.25125	0.9
307.08319	1.7
351.07162	17.5
352.07581	1.8
369.08304	13.0
369.12634	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	369.1193
Annotation	sinapaldehyde glucoside
Peak:m/z	Relative Intensity
55.75380	0.6
59.01376	2.3
61.57096	0.6
68.67355	0.6
71.01380	2.6
73.02931	1.7
85.02943	4.1
96.46109	0.6
101.02435	2.9
103.66387	0.7
108.02173	1.0
109.02979	3.3
109.22272	0.7
113.02462	1.1
120.99671	0.7
121.02961	1.2
122.03744	39.2
123.04076	1.2
125.64077	0.7
130.53569	0.7
132.02176	1.3
133.02954	23.1
133.03979	1.1
134.03445	0.8
135.04495	3.4
137.02393	1.4
148.05383	0.8
154.02724	1.7
161.02441	69.4
161.06081	2.9
162.02794	3.8
162.06827	1.2
163.07649	100.0
164.07954	6.1
179.03528	1.9
207.06618	68.2
208.06975	4.9
369.11880	57.8
370.12198	5.2
388.82397	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	32.9
61.98850	0.7
69.03448	2.3
69.77186	2.1
72.17181	0.8
75.69360	0.6
83.05008	1.0
132.98174	1.0
133.02850	0.8
137.06090	0.7
158.16904	0.6
158.84665	8.9
167.14342	0.9
171.10239	1.7
174.99254	7.2
183.13921	10.7
183.62447	0.7
184.14191	1.1
185.01404	1.1
193.12315	2.9
199.02898	1.9
211.13394	53.5
212.13733	2.7
237.04411	0.9
254.44803	0.7
257.07080	1.0
258.00714	0.8
265.07657	4.9
267.05911	1.4
267.09106	7.3
277.07675	0.9
279.09100	2.9
281.07465	0.9
281.10739	1.9
297.10172	1.1
299.11722	2.4
309.10187	63.4
309.20657	2.1
310.10529	5.2
323.11676	1.4
325.13367	1.7
341.23370	4.4
369.12280	100.0
369.97839	3.2
370.12646	9.9
390.08630	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47984	6.8
56.72798	7.9
59.01381	63.4
61.98833	100.0
67.01871	8.3
67.91590	8.1
70.64806	10.2
71.01389	26.1
72.99293	9.6
77.82867	6.3
81.03455	10.7
85.02940	22.7
87.00872	22.0
89.02454	23.7
93.03477	57.0
99.00889	10.4
101.02460	22.4
105.03466	14.2
107.05029	9.0
111.04527	8.6
113.02435	15.7
119.03513	7.5
125.02441	21.6
129.01955	20.0
133.02985	98.9
134.03557	7.7
135.04527	20.7
151.04057	7.6
163.04021	9.2
169.89607	7.7
173.04597	48.1
177.01993	17.6
179.03506	15.9
191.05630	84.0
192.05984	7.7
195.02989	28.5
205.03549	15.0
215.05519	9.7
223.04546	24.4
291.67133	8.3
306.89240	7.6
333.12003	32.7
363.90976	7.0
369.12979	29.8
394.36731	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	369.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57745	0.5
54.45937	0.5
55.01865	4.1
57.03191	0.6
57.03439	3.5
59.01379	45.6
61.98817	1.7
62.30921	0.5
69.03442	2.1
69.66094	2.4
71.01382	54.7
72.01733	0.7
72.99300	1.7
73.02946	27.4
74.03261	0.8
75.00867	2.2
81.03455	1.5
83.01389	11.5
85.02949	26.8
87.00889	3.6
87.04518	0.6
89.02446	21.1
93.03458	2.5
95.01402	3.5
97.02965	3.7
99.00885	14.4
99.04512	1.2
101.02442	61.2
102.02802	1.6
111.00920	1.0
113.02445	18.8
115.02509	1.1
115.04021	3.8
117.00441	4.0
119.03496	2.2
125.02440	6.9
127.04056	0.6
129.01985	1.3
130.08727	2.1
131.02017	7.7
131.03493	3.2
133.02953	2.9
139.04039	0.8
141.00433	0.7
143.02080	0.7
143.03488	3.8
144.99850	1.2
148.04085	0.6
149.04547	4.7
156.99899	2.0
157.03534	0.7
159.01720	0.9
159.02966	4.9
161.04562	27.4
162.04900	1.5
171.01482	0.6
173.04546	2.0
179.05435	0.7
189.01100	0.9
191.05623	4.6
199.01009	1.6
207.08745	0.7
215.05717	0.6
217.00529	0.9
227.00537	3.0
231.02158	1.6
233.06667	5.0
237.09787	67.5
238.10172	4.1
241.00487	0.9
257.03644	4.8
259.01791	0.9
273.03082	5.1
293.08786	2.5
308.97632	1.0
309.11871	1.3
313.02737	1.1
341.02063	2.5
351.07022	0.8
361.00677	0.7
369.01663	5.1
369.13989	100.0
370.01855	0.9
370.14444	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	369.1811
Annotation	beta-Yohimbine N-oxide
Peak:m/z	Relative Intensity
51.21967	1.5
53.38354	1.7
59.01380	3.0
61.98822	3.6
67.30598	1.5
69.30923	5.4
69.31325	3.5
71.42325	1.4
75.00858	7.9
77.45495	1.4
78.53458	1.6
83.05022	2.0
100.52460	1.5
106.65620	1.5
122.50950	1.4
128.16510	1.6
129.09193	2.2
136.99413	1.6
139.11217	1.4
149.40237	1.5
171.10260	2.5
181.12305	1.7
197.11839	6.4
211.13295	9.0
233.11571	6.6
253.21210	1.7
269.08075	4.7
293.21219	9.0
311.22302	29.9
312.22446	2.4
369.18109	100.0
370.18491	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	370.1297
Annotation	Carpoxidine
Peak:m/z	Relative Intensity
59.01379	100.0
64.81776	1.7
68.54211	1.4
69.29133	3.6
69.29521	3.8
73.59702	1.5
80.20564	1.7
83.69054	1.6
91.05530	15.5
98.06116	1.5
98.21904	3.5
104.05052	3.0
105.07067	1.5
111.00816	1.7
116.05062	2.7
118.06630	10.0
120.04536	2.7
120.08205	3.4
121.06670	1.5
133.02899	2.5
135.04544	3.1
144.04538	2.4
145.05310	2.4
146.06117	33.6
147.04552	3.9
148.04044	6.4
151.04002	2.3
156.27356	1.6
158.06140	5.2
159.06818	3.1
160.01553	1.6
161.02403	3.9
163.04001	1.6
163.07570	2.1
168.08215	3.6
171.10252	6.5
173.04561	2.6
176.07220	1.6
178.08728	31.7
179.09071	2.1
180.13913	3.4
190.08713	2.7
191.05641	1.6
191.09547	5.3
210.14986	2.4
222.12924	2.7
223.11353	2.8
227.09441	4.3
228.10275	5.5
248.10722	1.9
250.12340	29.9
251.12610	4.1
269.52377	1.5
278.24329	1.8
282.15005	33.6
283.15540	2.3
303.16064	2.0
321.16977	2.1
321.33270	1.7
326.13837	5.5
370.12936	26.4
370.25931	6.5
371.14212	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	370.187
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
80.56373	0.6
85.71722	0.5
105.35595	0.6
121.02977	2.1
126.73831	0.6
129.34953	0.6
134.46359	0.5
278.73767	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70893	1.0
57.29259	1.1
59.01362	2.5
61.98832	100.0
62.88306	1.1
69.54044	3.8
75.27341	1.1
93.22464	1.3
104.31281	1.2
118.33369	1.2
125.15820	1.3
219.75070	1.2
346.24551	1.3
371.15045	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	370.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
63.55753	0.8
69.42942	0.8
70.15004	1.6
70.15342	1.1
87.62573	0.8
89.76897	0.8
98.21951	1.2
125.35330	0.8
303.57767	0.8
314.06595	0.9
389.88879	0.8
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
50.64442	1.6
51.57879	1.2
59.01368	2.2
59.83274	1.3
61.98829	100.0
69.55036	4.7
92.40594	1.5
166.75661	1.3
304.69638	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
60.74488	32.9
61.98824	89.0
62.87025	31.5
85.55531	30.5
98.22586	36.7
100.93378	46.2
115.92076	100.0
149.13356	38.3
162.67722	36.0
238.10184	36.8
327.26456	39.4
370.27267	85.8
371.25937	99.5
375.75964	33.8
384.63309	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0979
Annotation	Deacetyl asperuloside
Peak:m/z	Relative Intensity
55.01889	0.3
57.03455	0.2
59.01378	15.2
60.01706	0.2
67.01895	1.3
68.99818	1.7
69.03455	3.4
71.01382	7.5
72.01714	0.2
72.99317	0.2
73.02979	0.7
81.03436	0.3
83.01387	0.9
85.02946	1.7
87.00869	0.4
89.02444	7.8
90.02768	0.2
92.02695	0.2
92.96437	0.2
93.03461	1.0
95.01389	1.8
95.05025	26.8
96.05377	0.8
97.02918	0.2
99.00878	0.3
101.02439	4.9
103.05551	0.2
105.03468	0.2
106.04259	0.8
107.05032	0.2
108.02176	1.0
109.02951	0.2
111.00880	19.7
112.01196	0.2
113.02451	3.1
119.03510	3.0
119.04974	1.2
121.02954	100.0
121.06570	5.3
122.03286	3.9
122.06901	0.2
123.04519	27.5
124.04828	1.4
131.03497	0.2
135.04533	0.6
137.02484	0.3
137.06082	2.5
138.06419	0.2
139.00371	16.7
140.00684	0.6
143.03505	0.3
146.03709	0.2
147.04526	2.0
149.02432	3.8
149.04543	0.3
153.05582	0.2
153.09181	0.4
159.03038	0.2
161.04590	1.0
161.05940	0.2
163.04018	0.5
165.05565	35.2
166.05894	2.1
173.04628	0.2
179.05591	0.8
181.05055	3.3
191.03510	2.2
197.08139	0.3
209.04536	2.5
223.78232	0.2
229.02150	0.2
251.05522	0.3
327.10806	1.0
371.09802	29.0
372.10098	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	371.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.8
61.98791	0.9
67.13713	0.8
69.85407	0.7
71.01373	0.8
71.46364	0.9
84.95096	1.1
89.02441	1.0
93.03437	2.2
95.04996	0.9
101.43689	0.7
108.02149	1.6
109.02949	60.4
110.03235	1.8
112.52278	0.7
121.02944	5.6
133.02921	1.1
135.04514	1.6
136.01662	21.6
137.02348	1.0
145.02911	4.4
146.03703	1.2
149.02412	1.7
151.04010	31.0
158.03711	2.6
159.04488	11.0
160.05293	50.2
161.02422	2.0
161.05713	2.8
164.04739	2.6
164.06793	0.7
167.37701	0.7
173.04503	1.2
174.03131	1.9
175.04036	2.2
175.07629	29.5
176.07971	1.3
178.08649	0.9
189.05501	0.9
191.05624	2.7
191.07121	1.0
197.06085	1.2
210.81575	0.8
211.07629	3.2
221.06105	2.3
222.06758	1.4
223.07611	1.5
225.05611	1.2
227.03470	1.3
228.04390	1.9
228.10086	0.9
238.06230	1.0
239.07104	16.0
240.07486	2.1
249.05511	3.3
250.06340	5.3
251.06862	1.2
251.12750	1.2
266.05878	3.0
267.06610	100.0
268.06967	8.3
281.08151	1.1
282.08954	70.1
283.09320	7.3
283.12833	1.5
283.15646	1.7
297.11310	69.5
298.11581	6.7
309.15012	3.9
310.14774	1.0
312.09988	11.1
313.10602	1.0
327.12366	99.9
328.12726	11.3
353.13907	2.2
371.11359	16.4
371.15112	10.6
372.11600	2.2
372.15659	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	371.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44061	0.9
52.06264	0.9
57.69769	0.9
59.01373	3.9
61.74211	1.0
69.25320	4.6
69.88471	0.8
71.01409	1.3
81.68661	0.9
84.95139	1.5
87.64470	1.0
93.03446	3.5
98.21864	2.0
108.02196	1.6
109.02959	68.3
110.03288	2.3
119.16062	1.0
121.02967	4.6
123.04482	1.3
135.04518	1.8
136.00694	2.0
136.01666	27.2
137.02409	4.0
145.02974	5.4
146.03714	1.7
149.02405	3.5
151.04015	35.8
152.04335	1.6
158.03726	2.7
159.04529	14.3
160.05302	52.4
161.02417	2.3
161.05656	3.3
164.04800	2.4
172.05170	1.1
174.03247	1.6
175.04018	2.3
175.07640	28.2
176.04845	1.5
176.07986	1.6
179.03488	1.8
188.04720	1.1
189.05635	1.3
191.05589	3.9
193.06607	1.3
197.06010	1.6
211.07681	3.3
221.06067	3.1
222.06876	1.4
223.07594	2.2
227.03662	1.7
228.04282	1.1
238.06555	1.3
239.07120	20.6
240.07484	1.8
249.05577	3.0
250.06339	6.2
253.08504	1.1
266.05762	3.6
267.06619	96.9
268.06909	7.3
282.08966	82.7
283.09259	8.0
297.11334	68.1
298.11560	6.8
301.14807	1.1
309.14972	4.6
312.10080	8.0
327.12387	100.0
328.12698	10.2
343.20068	1.0
353.13904	2.4
371.11258	16.3
371.15076	8.5
372.15421	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	371.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89563	0.4
58.44593	0.4
59.01375	2.8
60.99299	0.8
67.01893	3.5
69.03452	1.4
69.26895	1.4
69.27278	1.1
71.01374	3.5
81.03451	1.1
83.04994	0.7
84.66443	0.5
85.02940	1.0
88.00455	0.5
93.03460	23.5
94.03813	0.8
101.02464	1.1
109.02935	0.9
111.04519	4.6
113.02475	0.5
115.35120	0.5
137.02452	3.6
138.95499	0.5
149.40341	0.5
153.09219	9.1
153.10451	0.8
155.03505	4.3
173.04546	100.0
174.04865	3.9
191.05614	2.3
197.08186	4.4
319.96033	0.5
371.13449	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	371.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.3
59.01377	2.7
60.99298	0.8
61.84332	0.3
67.01889	3.8
69.03444	1.1
71.01380	3.8
71.48020	0.4
81.03464	0.6
83.05019	0.9
85.02969	0.6
87.00891	0.5
93.03459	26.6
94.03793	1.0
96.02139	0.4
101.02431	0.5
109.02973	0.6
111.00878	0.8
111.04511	4.7
112.59444	0.3
113.02489	0.3
118.30186	0.3
127.04004	0.7
137.02454	5.0
145.01416	0.6
153.09200	10.6
153.10452	0.6
155.03503	4.7
173.04547	100.0
174.04898	3.8
176.12469	0.3
183.69731	0.3
191.05579	2.2
192.70741	0.3
197.08188	4.0
231.42059	0.3
371.13437	7.0
372.13550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.7
59.01379	7.6
67.01888	1.3
69.03453	1.9
71.01384	3.1
73.02951	0.9
81.03442	1.4
83.05039	1.4
85.02945	2.6
87.00878	1.1
89.02447	2.6
93.03447	8.1
95.01367	1.0
95.05019	4.6
99.04573	0.7
101.02423	0.9
107.08571	0.7
109.02967	0.9
111.00876	3.5
111.04520	7.3
113.02439	1.7
119.03519	0.9
121.02963	21.0
122.03304	1.0
123.04543	5.0
127.03996	3.5
130.08737	1.3
135.04575	0.7
137.02457	1.6
139.00381	3.5
149.02492	0.7
150.09235	0.6
153.09213	100.0
154.09557	5.6
155.03506	5.4
165.05557	8.2
168.17952	0.6
173.04561	19.9
174.04941	0.5
191.05602	14.6
197.08186	50.9
198.08522	2.2
371.09586	5.3
371.13443	21.0
371.17123	0.9
371.22986	1.1
372.13895	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	371.3165
Annotation	CHEBI:79298
Peak:m/z	Relative Intensity
52.38190	0.4
55.25299	0.4
56.15844	0.4
56.32899	0.4
57.03462	0.9
59.01380	100.0
59.10195	0.4
60.01688	0.5
69.07470	0.3
69.40990	1.6
71.05017	0.5
89.04308	0.6
90.25997	0.3
98.21880	0.8
113.00925	0.4
118.90004	0.5
182.31735	0.4
237.22197	0.7
239.23863	3.1
253.25356	2.7
281.28430	1.6
293.28458	0.9
311.29553	13.4
312.29892	1.4
353.30594	1.6
371.06189	0.6
371.31668	65.4
372.11642	0.4
372.32019	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	372.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10841	5.0
58.25972	5.8
59.01371	9.2
61.98833	100.0
69.29959	25.3
80.02644	6.3
82.28672	5.4
97.21500	5.8
123.04509	11.2
139.98315	5.5
162.83961	9.5
197.48874	7.6
209.11526	15.7
217.08432	25.5
229.82257	5.9
231.09987	13.8
233.11600	88.6
264.09802	8.0
274.10690	13.0
283.16858	9.9
285.18381	26.2
313.17752	6.1
317.17307	19.1
329.17221	27.3
372.17770	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	372.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27454	0.9
58.15425	0.8
61.98830	100.0
65.43496	0.9
69.09248	6.3
74.52821	0.9
79.46535	0.9
89.13616	1.0
116.34126	0.9
257.34818	1.0
384.32211	0.9
391.39850	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10640	0.6
54.42557	0.6
59.01381	0.8
61.98829	100.0
67.33207	0.6
68.74374	0.6
73.23667	0.7
117.89397	0.6
119.88654	0.6
159.61310	0.6
227.70102	0.7
372.18134	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68672	2.3
59.01372	4.6
61.98829	100.0
69.03469	3.2
77.38783	2.2
88.18145	2.5
95.05026	2.9
98.22594	5.5
148.99976	2.2
212.06116	2.5
220.96263	2.8
223.05246	2.9
225.98285	2.8
238.26219	2.6
372.14822	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	372.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	2.6
61.98830	100.0
69.30504	7.1
77.06028	1.9
77.38326	1.8
80.44590	1.9
85.11440	2.0
96.96015	2.1
98.21893	4.7
128.97379	2.2
133.80621	1.9
162.83897	3.7
178.32765	2.4
233.11519	3.9
236.29338	2.1
313.17810	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	372.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01199	2.8
59.01382	100.0
60.01707	9.8
71.32303	2.2
79.57713	2.1
113.25168	2.4
143.29659	2.3
312.29980	12.5
333.31830	2.3
354.30945	3.6
372.32010	92.1
373.32126	5.7
379.52316	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	372.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98867	20.8
65.02887	13.7
66.83578	16.5
69.38487	15.1
98.22079	85.0
99.92603	59.5
112.53502	19.5
116.92920	25.9
117.85133	14.3
118.89970	88.6
125.52809	15.1
135.90254	28.0
137.10425	16.6
162.83957	18.5
167.29738	18.5
217.06752	17.2
336.13974	25.8
357.58347	14.4
359.13071	15.8
372.11606	100.0
375.34219	14.9
392.22540	18.0
397.85074	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1139
Annotation	Gentioflavoside
Peak:m/z	Relative Intensity
59.01381	100.0
59.24324	1.0
60.01705	1.1
65.06859	0.9
67.01882	2.1
69.03458	43.5
69.08023	2.2
69.08436	3.7
71.01383	41.2
72.99310	1.1
73.02950	1.4
83.01379	1.8
85.02959	8.4
87.00894	1.1
89.02448	40.6
93.03464	10.0
93.20988	0.8
95.01386	2.5
97.02956	55.0
98.03300	2.6
101.02451	17.0
105.03478	4.2
108.02151	0.9
109.77952	0.9
113.02461	11.4
119.03513	13.3
121.06599	2.1
123.04518	11.6
141.01913	3.5
143.03477	1.6
149.06099	19.1
150.06403	0.9
159.82565	0.9
165.64322	0.9
167.07120	3.8
179.05582	2.9
193.05063	23.5
194.05437	2.1
217.11385	0.8
267.07864	0.9
310.73184	0.9
315.97269	1.0
356.77408	1.1
373.11273	12.7
374.11603	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1292
Annotation	Shinjulactone C
Peak:m/z	Relative Intensity
56.47012	1.0
59.01367	5.2
66.70825	0.9
69.03456	1.8
71.01389	2.0
71.07846	1.6
89.02451	1.4
91.01871	2.1
93.03472	2.1
97.02946	1.5
101.02471	1.3
108.02184	2.0
108.62319	0.8
109.02959	16.3
111.06371	0.9
111.34385	0.9
113.02438	1.0
116.47931	0.9
117.03451	2.2
119.04969	1.0
121.02945	16.7
122.03783	4.2
123.04540	5.8
129.03412	0.9
133.02913	1.6
134.03773	5.2
136.05295	6.3
137.02420	3.4
145.02988	1.6
146.03763	10.2
147.04524	40.5
148.05334	9.5
149.02463	2.2
149.06004	0.9
150.03226	3.4
151.04018	3.2
155.03506	2.3
158.03694	1.8
159.04517	16.3
160.05304	18.8
161.02448	3.0
161.06079	13.1
162.03156	2.8
162.06844	2.1
163.04037	2.7
164.04796	1.4
171.10269	2.7
173.04611	1.5
173.06004	1.2
174.06847	1.2
175.07620	15.0
177.05576	2.3
178.06346	8.7
179.03563	1.1
192.07925	3.2
193.05003	2.1
193.08687	1.9
201.07759	1.6
215.12848	1.4
223.13368	1.2
252.07747	1.1
253.08655	1.2
268.07425	10.4
269.08221	5.6
280.55835	0.9
282.08844	1.0
283.09744	15.4
284.10498	31.4
285.10867	3.3
297.11392	2.7
299.12909	11.3
300.13135	1.1
309.09760	1.3
313.10724	2.4
329.13925	100.0
330.10504	1.4
330.14227	11.7
373.12964	26.8
373.18460	3.9
373.22562	1.3
374.13187	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	373.1292
Annotation	Cniforin A
Peak:m/z	Relative Intensity
59.01380	100.0
60.01733	1.4
64.01015	0.7
67.01879	1.2
69.03465	2.1
71.01381	40.0
72.99327	1.5
81.03439	1.0
83.01396	3.4
85.02954	8.8
87.00922	2.0
89.02444	57.5
90.02786	1.2
90.21227	0.7
95.01374	3.9
97.02946	2.1
98.21786	1.9
101.02444	34.0
107.01420	1.8
108.02174	16.4
109.02972	7.1
111.00871	1.9
113.02454	18.5
115.00365	0.9
119.03502	29.5
121.02969	1.9
122.03801	1.0
123.00871	7.8
123.04498	4.0
124.01714	4.9
125.02473	1.3
131.00171	0.8
131.03514	2.8
133.02896	1.2
134.03719	1.3
135.17056	0.9
136.01643	8.3
137.02405	1.4
143.03502	3.2
146.03760	1.2
147.04524	12.0
149.04570	2.2
150.03206	1.7
151.04001	5.6
152.07225	2.7
159.04541	2.0
161.02446	2.7
161.04588	1.7
162.03215	4.3
163.04013	17.3
173.02388	2.0
173.04579	1.8
174.03227	3.4
175.04004	3.6
176.04863	1.4
177.05551	6.0
178.06439	0.9
179.05615	3.7
186.03191	1.0
187.03941	1.2
188.04813	7.4
189.05553	1.9
190.28728	0.9
191.07101	1.5
193.05060	2.5
193.12291	6.3
205.05162	0.9
211.13510	1.2
221.08154	1.0
239.07310	1.0
269.08276	1.1
285.04010	2.8
295.06281	1.2
298.08456	14.6
299.08536	1.8
310.08542	2.5
311.10342	1.8
313.07574	1.7
313.10800	46.2
314.11203	4.7
325.10785	3.7
329.13992	1.1
341.11371	1.7
343.11862	13.6
358.10483	7.3
373.12930	62.7
373.18613	42.2
374.13266	7.7
374.18967	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	373.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.8
59.01382	7.0
59.93920	0.6
60.99298	5.0
63.32716	0.6
67.01891	11.2
69.03451	4.3
69.22464	0.5
71.01383	6.5
73.02943	1.3
77.96699	0.6
81.03463	1.6
83.05033	1.6
85.02951	1.7
87.00880	16.9
89.02467	1.3
93.03461	78.3
94.03847	1.1
97.02970	2.1
98.21871	1.5
99.00880	1.1
99.04506	1.2
101.02433	1.2
109.02963	0.9
111.00903	1.2
111.04529	13.1
113.02470	1.0
126.50302	0.6
129.01961	2.0
137.02470	1.0
137.09711	1.2
143.03496	0.6
145.59933	0.6
149.06041	0.7
155.03520	3.1
155.10783	18.3
156.11113	0.8
156.92226	0.6
173.04550	40.8
174.04863	0.8
185.11867	0.8
189.43134	0.6
191.05612	13.0
193.05058	1.0
199.09818	3.3
242.39864	0.7
348.28986	0.6
373.15039	100.0
374.15381	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	373.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26249	0.3
54.13372	0.4
57.03440	0.8
59.01376	3.8
60.99289	0.4
67.01885	4.2
69.03453	2.2
71.01378	4.0
73.02921	0.9
81.03448	0.7
83.05011	1.3
85.02907	0.8
87.00863	0.4
89.02412	0.6
93.03455	26.8
94.03783	0.7
96.02154	0.3
97.02934	0.6
99.00860	0.4
108.04593	0.4
109.02923	0.9
111.00866	1.0
111.04528	4.5
113.02419	0.7
132.04565	0.5
136.01662	0.6
137.02432	5.7
137.09660	1.9
151.04039	0.5
152.07144	0.4
155.03511	4.8
155.10780	21.0
156.11037	0.6
170.81973	0.4
173.04543	100.0
174.04884	3.9
191.05568	0.8
199.07904	0.7
199.09750	12.3
200.10094	1.3
297.12561	0.5
304.90485	0.4
373.15079	13.5
374.15366	1.3
380.39185	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.5
69.03434	1.2
71.01379	1.8
71.02988	0.5
72.97096	0.5
73.02937	3.6
78.95899	17.0
83.05049	0.7
83.46039	0.6
85.02979	1.2
89.02444	2.0
93.03459	5.9
96.96968	1.5
97.02959	1.9
101.02456	1.9
111.04517	3.6
113.02357	0.5
119.03452	0.8
121.03006	0.7
123.04491	1.2
135.08185	1.1
137.02434	3.3
137.09715	7.6
138.02608	0.5
149.06082	0.8
152.99609	1.8
153.99895	0.8
155.03513	4.6
155.10779	100.0
156.11122	4.5
171.00636	3.5
173.03065	1.0
173.04543	13.7
174.04881	1.5
190.35446	0.6
191.05544	0.9
193.05077	1.3
199.09755	64.9
200.10092	4.0
219.44377	0.6
220.03709	0.6
345.83420	0.6
354.11432	0.6
373.15121	29.8
374.15619	2.6
378.94855	0.7
383.17517	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1687
Annotation	Hydroxyzine
Peak:m/z	Relative Intensity
59.01372	3.9
61.98826	2.1
63.96238	51.2
64.97002	1.1
70.11037	2.1
79.95736	100.0
80.96520	15.2
89.02431	1.0
96.96010	6.6
119.98833	1.5
132.99657	4.0
137.09689	1.0
142.98769	0.7
148.31909	0.9
155.72116	0.8
162.83917	0.9
164.83559	0.8
171.10294	2.6
173.06392	2.4
183.13887	20.6
184.14200	1.0
189.05934	12.7
195.13939	2.7
201.11349	2.7
209.11929	1.0
223.13463	1.3
223.17162	0.9
245.08562	2.6
247.10040	1.3
258.13565	0.7
263.09622	4.6
273.18323	0.9
275.20236	2.1
284.92468	1.0
291.12213	1.0
291.19684	2.9
293.21204	22.0
294.21622	2.5
297.70374	0.8
341.19754	1.0
355.15878	6.5
373.16895	43.5
374.17200	3.4
376.34763	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1865
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01886	0.8
57.03432	1.4
58.00592	1.3
58.53008	0.8
59.01377	100.0
60.01705	1.6
62.22155	0.7
68.60227	0.8
69.03460	4.8
70.41914	1.0
71.01379	44.9
72.01691	1.3
72.99306	1.6
73.02931	1.9
79.95731	4.0
83.01367	3.4
85.02946	8.0
87.00873	2.6
89.02444	56.3
93.03445	1.8
93.69122	0.8
94.02962	0.8
95.01373	3.1
97.02931	2.8
101.02444	34.9
108.02161	1.3
109.02934	1.6
111.00916	0.8
113.02446	18.2
115.00343	1.3
119.03500	31.5
123.00893	1.1
123.04501	2.6
130.08664	0.9
131.03473	2.6
133.02901	2.2
136.01639	1.9
143.03453	2.3
147.04488	2.1
147.06984	0.9
148.81058	0.8
149.04509	2.5
149.06079	1.3
151.03964	1.6
152.07123	1.1
161.02391	0.8
161.04486	1.8
163.03983	1.9
173.04483	2.0
174.03136	1.0
176.04776	0.8
177.05495	0.9
179.05630	4.5
186.36671	0.9
191.07048	1.0
193.05064	1.8
193.12346	6.0
209.11903	1.5
222.15089	0.8
224.70299	0.9
253.21371	0.9
256.58887	0.9
285.04037	6.6
298.08328	2.3
313.10855	6.5
341.11380	1.0
343.11902	2.0
373.04803	2.0
373.13214	7.6
373.18539	41.1
374.13934	1.6
374.18869	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	373.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91700	0.5
55.87640	0.5
59.01379	11.5
69.12155	3.2
93.03458	2.0
98.22607	1.0
99.40242	0.5
106.67504	0.5
125.06111	1.2
144.32941	0.6
148.08891	1.4
163.11264	0.9
165.12837	23.9
166.13124	1.0
168.21448	0.5
175.11311	0.7
176.12135	0.9
177.12926	0.7
191.14474	1.0
231.10080	0.9
244.10823	3.7
247.20670	12.5
248.20946	1.3
273.18594	6.5
291.19666	100.0
292.20001	9.8
303.43414	0.5
313.17871	13.3
314.18307	1.7
369.34204	0.5
373.19940	15.5
374.20276	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.0
59.01378	15.4
59.77810	0.6
69.03477	0.6
93.03465	0.7
93.07093	1.1
94.66456	0.6
97.06578	2.1
117.47888	0.5
118.78977	0.6
121.10240	15.2
123.08123	1.1
125.09708	7.1
139.11264	1.1
147.08159	1.7
185.11832	11.4
186.12154	1.0
191.06874	0.6
197.11900	3.7
207.10019	3.8
209.11888	1.3
211.13458	1.7
223.13324	1.5
245.19081	7.1
247.20804	0.8
273.18716	1.1
291.19659	61.8
292.20016	7.4
311.16388	0.9
313.17844	100.0
314.18192	10.0
341.33844	0.6
373.19623	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27533	2.8
59.01380	39.8
61.98791	3.8
69.30390	11.7
71.18175	2.7
98.22630	4.4
125.09724	7.9
127.11279	6.6
153.12831	8.4
202.17287	3.2
245.19064	5.1
247.20656	8.5
263.20190	16.9
273.18536	11.2
291.19662	100.0
292.19839	9.5
295.16623	3.4
310.57077	3.2
313.17853	98.0
314.18137	9.0
322.93277	2.8
373.19827	9.9
373.27795	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	374.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	31.9
69.62183	31.2
71.01378	16.1
75.64484	15.9
92.33713	13.0
93.03477	16.6
155.10780	92.7
156.11110	100.0
173.04594	29.3
191.05644	16.1
199.09830	72.1
199.30763	14.3
200.10136	64.2
374.15161	44.5
375.16492	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
66.08785	18.4
71.01384	39.4
71.02305	35.0
85.02981	19.3
89.02459	36.2
91.59451	16.5
119.03510	21.5
123.62691	16.1
135.04514	27.7
165.05563	31.5
241.91667	16.4
369.86642	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	374.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	20.2
61.98831	100.0
66.72108	4.1
69.05876	29.1
76.93333	3.9
78.28114	3.8
80.03560	3.7
84.14889	5.1
93.21181	5.0
93.92204	3.5
125.20216	4.3
174.99220	8.7
183.84158	4.0
185.80006	4.2
217.00285	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	8.3
61.98829	100.0
63.35135	2.8
79.09662	2.5
79.83398	3.2
81.61653	3.5
84.58663	2.6
180.91360	3.4
217.00276	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	374.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.8
61.98828	100.0
70.96756	2.4
80.47738	1.5
85.00426	1.6
93.10944	1.5
98.84566	1.4
174.99286	2.8
199.89642	1.5
217.00356	7.9
374.99478	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	374.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93431	2.7
57.35530	2.5
59.01381	28.0
61.98831	100.0
62.65454	2.4
66.91746	2.3
72.73688	2.2
111.08164	4.6
142.19385	2.6
161.02451	3.0
171.44034	2.4
174.99216	7.0
197.45836	2.3
217.00281	27.5
219.10011	12.9
233.11531	7.4
284.46487	3.0
331.18921	5.2
370.89328	2.9
374.18414	3.0
374.24533	2.6
375.17899	3.5
378.22812	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	374.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74250	1.5
54.85028	1.4
59.01388	8.6
61.98830	100.0
70.14331	1.6
73.36737	1.5
95.56184	1.3
128.00543	1.7
128.01483	1.5
130.38548	1.3
172.15767	1.3
174.99207	2.3
217.00333	6.8
243.46803	1.7
275.20090	1.7
293.21198	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	374.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	42.2
61.98827	100.0
71.16400	10.4
71.16751	6.2
81.43749	6.1
93.03546	6.8
95.85619	7.1
101.88516	6.5
161.02481	23.8
174.99294	18.6
178.75189	6.4
182.75143	6.9
194.92860	6.4
202.21213	6.2
217.00308	65.8
327.15900	13.0
351.87558	6.1
374.99323	9.1
375.17850	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	375.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35448	1.0
56.94181	1.0
59.01365	2.3
60.99303	14.5
68.18192	1.0
83.01415	1.3
88.98804	100.0
107.01396	1.6
122.26813	1.0
133.02950	8.5
135.04503	4.0
149.02400	1.5
151.00359	4.9
168.56075	1.2
173.04547	1.1
175.03944	1.1
179.03468	2.7
217.00188	1.1
217.05074	1.5
231.48720	1.1
263.92258	1.1
285.04031	66.5
286.04367	6.7
287.05841	1.7
316.68311	1.3
319.45474	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.8
57.03445	2.2
59.01381	67.1
64.16666	1.3
69.03457	81.4
69.09724	6.8
70.03780	2.8
71.01385	27.8
73.02949	1.9
81.03474	1.6
83.01390	1.5
85.02952	7.7
85.53378	1.1
87.00874	3.7
89.02446	34.4
90.02763	1.6
93.03453	1.9
95.01329	2.4
95.05032	38.4
96.67432	1.0
99.04525	14.2
101.02425	13.9
107.05034	14.9
109.06600	3.8
113.02451	45.8
119.03509	11.2
125.06074	7.4
128.95911	1.5
131.03465	1.4
133.06595	3.1
135.04533	2.0
151.07648	13.2
161.04504	2.2
166.91693	1.2
169.08702	29.4
179.05624	3.7
195.06575	1.7
201.01564	1.3
213.07683	100.0
214.07954	5.9
239.42738	1.4
364.31360	1.2
375.12933	63.3
376.13184	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	375.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21474	1.6
55.01871	2.3
57.03438	2.5
59.01381	79.2
60.01705	2.7
69.03455	100.0
69.42178	3.8
69.42571	2.5
70.03754	2.2
71.01382	36.9
71.07231	1.6
78.60804	1.5
85.02950	7.1
87.00881	6.1
89.01923	3.1
89.02447	38.0
93.03446	2.7
95.01382	2.7
95.05024	45.2
99.04522	16.1
101.02444	18.3
107.05030	17.3
109.06576	2.6
113.02448	55.0
119.03493	15.1
121.06636	1.9
125.06097	8.7
133.06621	5.0
135.04521	2.9
151.07631	27.0
161.02361	2.3
169.07425	2.6
169.08719	33.7
170.09018	1.6
179.05699	1.8
195.06514	1.9
213.07683	99.1
214.08025	4.6
221.76183	1.5
244.82285	1.6
252.17247	1.6
367.12128	1.9
375.07568	3.5
375.12912	73.3
376.13290	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	375.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.6
57.03447	1.0
58.00579	1.1
59.01377	89.9
60.01702	1.3
63.18913	0.9
67.01886	1.2
69.03455	100.0
69.28137	1.5
69.28522	2.9
70.03778	3.1
71.01378	38.9
72.01723	1.2
73.02934	3.0
81.03462	5.7
83.01400	1.4
85.02957	7.9
87.00846	1.0
87.04545	5.0
89.02441	40.0
95.01364	2.9
95.05024	12.4
99.04523	8.4
101.02444	22.3
105.03426	2.7
107.05010	3.0
113.02448	18.3
119.03491	15.0
121.02986	2.3
121.06596	16.5
123.04504	1.2
125.02423	1.5
125.06078	4.8
137.59349	0.9
138.57523	1.0
139.07613	2.7
143.03510	6.2
151.07637	33.1
152.07947	1.7
155.10765	2.3
161.04526	3.2
169.08684	9.2
173.04497	1.8
177.01900	2.8
179.05594	2.2
195.06618	20.2
201.11319	11.5
213.99783	1.1
232.89734	1.0
353.96539	1.1
375.12872	50.7
375.16220	2.7
376.13168	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	375.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28276	1.8
55.01878	2.9
57.03420	2.6
59.01380	81.9
69.03455	100.0
70.26329	3.5
71.01383	33.3
79.59683	1.9
80.06923	1.9
83.01377	2.3
85.02950	5.3
87.00856	6.4
88.57420	1.8
89.02450	41.5
93.03464	4.6
95.01385	3.8
95.05025	46.6
99.04530	14.7
101.02442	18.6
107.05034	19.5
109.06603	4.7
113.02445	69.1
119.03486	18.6
125.06094	8.1
133.06621	2.0
134.76128	1.9
151.07651	18.8
169.08694	44.9
179.05682	2.6
213.07692	99.3
214.08110	6.1
375.12875	56.0
376.13293	6.0
377.94525	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	375.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91108	0.8
55.01884	2.8
57.03447	2.4
59.01380	100.0
60.01729	1.5
69.03457	1.9
71.01382	50.2
72.99333	0.9
73.02941	4.7
82.95430	0.9
83.01382	4.2
85.02955	13.4
87.00883	3.5
89.02446	54.5
95.01418	2.7
99.00906	2.1
101.02445	42.0
104.80337	0.8
111.00892	12.1
113.02455	21.0
116.92857	1.1
119.03510	29.9
121.94165	0.8
126.03270	1.4
131.03511	2.2
143.03514	2.4
149.04579	1.9
159.03041	1.2
161.04529	4.2
169.12231	1.4
173.00914	1.2
177.09195	2.0
179.05635	5.0
195.10249	1.1
213.11449	0.9
217.00201	0.8
222.13541	0.8
331.17767	1.3
357.00763	1.0
357.15515	8.6
375.16605	80.7
376.16876	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	375.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31394	1.1
51.90275	0.9
52.00407	0.9
52.57128	0.9
55.01864	2.9
57.03448	5.1
59.01379	65.7
59.68169	1.0
60.01735	1.8
67.01893	4.5
69.03457	2.5
71.01382	37.1
73.00052	0.9
73.02954	7.2
81.48345	1.1
83.01393	6.5
83.05033	1.3
85.02957	13.9
87.00879	3.4
89.02447	26.8
93.03457	21.7
95.01387	2.4
97.02981	1.7
99.00879	3.5
99.04525	1.3
101.02446	32.1
101.03094	2.1
111.00880	5.9
111.04542	4.0
113.02454	16.8
119.03497	14.6
126.19597	0.9
129.01901	1.3
131.03519	1.7
133.10284	1.1
137.02438	1.3
143.03525	1.5
148.04041	1.9
149.04523	1.6
152.07175	1.0
155.10732	1.3
161.04602	4.0
169.12381	1.8
173.00848	1.3
173.04567	43.0
174.04918	2.1
177.09248	5.7
178.09357	1.7
179.00243	1.8
179.05609	5.7
181.63557	0.9
191.05637	3.3
195.10323	1.3
201.11349	5.0
212.08328	1.7
212.85931	1.1
213.07713	1.3
217.00247	1.6
227.34993	1.3
255.08878	8.3
331.17612	1.5
357.11530	1.6
357.15536	18.7
358.15945	2.3
375.16608	100.0
376.16879	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	375.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08562	1.1
59.01382	15.7
71.01379	12.1
74.69569	0.9
80.91689	10.9
99.92572	4.5
102.46558	1.0
109.74086	1.0
111.92752	1.0
157.08705	1.5
174.99261	4.7
177.09288	5.3
190.09996	1.6
192.11577	10.3
205.12285	3.0
216.98392	2.0
217.00302	20.5
218.09479	1.4
220.12506	1.4
220.14676	41.4
221.15456	100.0
222.15828	8.5
229.16019	1.3
236.10536	87.4
237.10959	7.5
293.17606	44.7
294.17886	3.6
318.09561	2.8
321.15723	2.1
358.08670	4.0
374.99109	1.3
375.17911	12.2
376.17889	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
56.26093	0.5
69.74204	1.7
74.99055	2.0
93.00114	0.7
98.22163	1.3
106.32692	0.4
144.60493	0.5
144.79286	0.5
149.00955	0.6
159.08490	10.7
160.08670	0.5
161.06395	1.8
209.01251	1.8
217.07146	0.7
275.06033	0.7
277.07538	2.0
289.07629	1.3
291.09097	98.3
292.09241	12.5
309.10263	1.0
326.83752	0.5
357.13846	1.3
359.15353	100.0
360.15527	16.1
375.18439	8.2
376.18582	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	375.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98031	0.7
70.47581	1.0
70.47916	0.7
74.99076	2.4
93.00133	0.8
98.21943	0.9
98.22496	0.8
100.65064	0.6
159.08469	9.0
161.06374	1.9
188.29269	0.7
209.01279	2.2
217.07281	1.5
261.04199	0.8
275.05905	0.7
277.07556	2.0
279.73672	0.7
279.76797	0.7
289.07513	1.9
291.09100	97.8
292.09167	14.8
309.10373	0.8
349.03732	0.6
357.13757	1.4
359.15341	100.0
360.15497	19.7
375.18454	11.5
375.90973	0.6
376.18625	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
56.22900	0.4
57.03455	0.9
58.00609	0.4
59.01382	19.9
65.42656	0.3
66.84577	0.5
69.33501	0.4
71.01382	11.1
72.99302	0.7
73.02943	3.8
75.00884	0.4
83.01360	2.4
85.02950	4.5
86.00095	0.6
88.98826	3.1
89.02447	4.0
95.01382	1.3
95.53163	0.4
99.00868	1.7
101.02448	7.4
111.00855	0.7
113.02441	3.6
119.03474	1.1
126.39582	0.4
129.01897	1.0
135.04543	0.8
179.03583	0.4
183.13869	0.7
185.43135	0.4
195.13898	4.8
197.15469	3.7
213.07277	0.5
213.14967	20.3
214.15346	1.4
217.00273	1.0
219.83876	0.5
227.16486	0.5
279.92395	0.4
285.04099	2.9
357.18976	1.9
375.20233	100.0
376.20563	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	375.215
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29099	1.3
59.01381	41.4
67.26449	1.4
69.44936	3.7
69.45316	2.9
89.00080	1.5
94.21056	1.3
95.05028	2.7
95.08423	1.5
98.22653	2.3
108.10160	1.4
114.10116	1.5
121.10225	30.3
158.52621	1.5
171.10265	61.1
172.10623	2.5
174.99388	1.6
177.16444	2.5
185.11829	2.3
191.06815	2.1
197.11902	1.5
207.10005	3.5
231.21123	4.3
233.04915	1.6
246.12543	1.7
275.20151	100.0
276.20551	9.8
278.11316	11.8
293.21219	82.9
294.21539	9.8
297.18167	4.4
313.29279	1.7
315.19397	49.4
316.19827	3.7
359.18546	2.8
375.21494	38.0
376.21429	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	375.215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	20.5
63.56944	1.0
66.05359	1.0
66.79971	1.0
69.14505	6.2
82.68642	1.0
83.95854	1.0
87.85651	1.0
95.05022	32.1
98.21881	2.8
99.92589	3.3
150.03032	1.7
179.14439	2.1
189.05257	1.3
195.13922	10.4
196.14574	3.0
205.15927	1.1
223.13347	11.2
231.21359	1.2
246.12357	28.0
247.12688	2.3
256.13232	1.8
275.20132	6.2
278.11343	69.7
279.11740	5.1
288.03159	1.1
293.21219	100.0
294.21545	10.2
315.19397	25.7
316.19574	2.4
338.12143	2.8
358.12399	1.6
375.12585	1.7
375.21344	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	375.215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25532	1.2
57.03435	5.6
59.01378	30.9
59.17215	1.1
67.64220	1.2
69.36162	3.4
69.36536	2.4
76.20034	1.5
92.52362	1.3
93.03415	1.3
113.09734	23.2
121.06575	1.9
121.10221	5.9
139.11220	2.8
167.10747	4.3
169.09958	1.6
171.10243	10.4
177.12883	1.8
179.10744	3.2
195.13892	2.4
217.12064	6.7
225.09984	1.5
247.20416	1.4
249.11087	2.1
249.22098	1.6
272.13873	2.4
275.20160	14.4
293.21237	100.0
294.21494	10.6
315.19409	99.1
315.22345	1.1
316.19745	10.5
375.21512	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	375.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.2
57.88696	0.5
59.01379	15.9
67.83025	0.5
69.98690	0.5
70.97723	0.6
78.13807	0.5
78.69260	0.5
84.00697	0.5
93.03448	0.5
96.16017	0.6
97.06593	0.5
115.23647	0.6
123.08200	0.5
125.09713	3.8
128.47794	0.6
141.12808	1.2
149.09709	2.3
167.53087	0.5
185.11826	9.6
197.11861	3.7
198.12244	0.6
217.00255	1.1
247.20625	1.7
249.22151	1.3
267.67374	0.5
275.20203	0.6
293.21222	100.0
294.21564	10.1
304.99088	0.6
315.19406	35.4
316.19797	3.9
375.21490	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	377.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92641	0.7
60.99305	15.5
69.32177	2.9
88.98803	100.0
89.99134	0.7
95.03598	0.6
107.01414	1.2
133.02908	0.9
135.04501	5.0
148.97438	0.8
151.00348	4.0
224.94019	1.1
277.28928	0.7
287.05621	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	377.1423
Annotation	Go 6976
Peak:m/z	Relative Intensity
70.19266	0.5
71.28493	0.5
83.93101	0.5
84.93864	8.1
85.77663	0.5
85.93876	0.5
99.92580	69.6
100.92609	4.5
100.93367	21.7
101.93371	0.8
115.92075	18.8
116.92857	100.0
117.92873	4.7
127.86847	0.5
207.08083	0.5
241.03030	0.6
277.21786	0.7
282.05634	0.6
290.06165	1.0
308.07178	2.3
309.07495	0.9
315.14282	1.3
333.15219	1.3
341.11230	1.0
359.13162	4.5
360.13483	1.0
373.11172	3.2
374.11160	0.7
377.14218	52.9
378.14359	8.8
391.12271	3.0
392.12137	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33000	27.4
59.01372	50.7
61.98816	41.3
69.81886	84.6
71.05014	25.0
81.95296	34.5
85.02971	31.4
89.02440	25.1
95.05021	45.5
109.32991	21.8
109.79557	20.3
124.08430	22.8
128.59155	20.4
171.10243	87.8
174.89111	23.9
185.11699	32.3
207.10245	54.1
209.11812	100.0
225.11372	25.2
227.12773	19.6
321.70340	22.1
341.10907	72.1
362.32813	21.9
373.72940	21.5
377.08298	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.4
63.50077	0.8
69.36295	0.9
71.23283	0.8
77.93994	0.8
80.06477	0.8
90.80743	0.8
91.37873	0.9
95.05017	5.3
99.92526	0.9
109.82100	0.9
113.09712	2.9
118.34856	1.0
171.10263	4.3
177.28604	0.9
195.13913	17.1
195.83199	0.9
196.14224	1.1
217.12033	1.8
246.12340	2.1
249.22301	1.2
277.21735	19.0
278.11377	4.0
283.61014	1.0
295.22769	100.0
296.23120	11.1
299.19830	1.0
315.19266	1.7
317.20987	48.6
318.21359	5.6
361.19946	1.3
377.22958	9.2
378.23322	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	378.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86178	0.3
59.01381	12.9
60.01716	1.4
61.98831	100.0
62.30301	0.4
68.55836	0.4
69.39784	0.7
69.40170	0.9
71.01379	4.4
73.02951	0.6
83.34267	0.4
85.02966	1.2
89.02448	3.8
89.77850	0.4
96.95988	0.4
98.22648	0.6
101.02451	2.8
113.02458	1.6
119.03515	1.6
120.03846	0.5
123.04548	0.5
123.08208	0.4
124.08517	0.5
135.04572	0.8
143.03430	0.4
153.05511	0.8
158.82486	0.4
161.04597	1.4
169.61069	0.4
179.03613	0.6
179.05687	1.0
196.87531	0.4
197.08205	0.8
198.08553	1.0
199.09781	0.5
214.89494	0.4
220.76292	0.4
318.12921	0.6
341.10950	0.9
342.11316	1.2
362.17313	0.4
378.08936	0.9
378.14914	2.9
379.08209	0.9
379.15994	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	378.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23756	0.2
61.98830	100.0
70.92654	0.2
76.82070	0.2
96.96078	0.4
105.89878	0.2
126.67590	0.2
257.94421	0.2
263.00241	0.2
268.93625	0.3
288.48178	0.3
293.21262	1.9
294.21616	0.7
378.18930	4.5
379.19574	0.3
382.57953	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1581
Annotation	DMH-1
Peak:m/z	Relative Intensity
53.72788	0.3
59.01368	0.3
70.10786	0.8
77.22284	0.3
80.35892	0.3
84.93382	0.6
84.93868	7.9
84.94387	0.4
85.93865	0.4
89.29388	0.3
89.84824	0.4
96.96005	0.4
99.92584	64.7
100.92616	3.2
100.93349	18.1
101.93378	0.9
115.92075	20.2
116.92857	100.0
117.92883	4.9
117.93649	0.6
127.95707	0.5
164.39206	0.3
218.15489	0.3
279.23389	0.7
317.15683	0.7
335.16711	1.2
347.26019	1.0
349.14932	0.4
352.39383	0.3
360.78821	0.3
361.14682	1.5
362.14966	0.4
367.15878	0.6
375.12720	1.7
376.13019	0.6
379.15793	53.8
379.28510	11.3
380.16061	8.1
380.28989	0.9
393.13736	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	379.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
57.03448	1.1
58.00587	1.6
58.17989	0.6
59.01381	100.0
60.01693	0.8
69.37036	3.5
71.01384	58.2
72.01736	0.8
72.99327	1.7
73.02946	15.3
83.01402	3.0
85.02946	9.2
86.40298	0.6
87.00881	2.2
89.02448	96.8
90.02798	1.6
95.01394	2.8
97.02959	1.7
99.00884	15.4
101.02447	34.9
113.02457	18.4
119.03502	21.0
124.03948	0.6
125.02468	3.3
131.03506	14.5
132.03831	0.8
143.03510	4.8
149.04559	43.1
150.04924	1.2
161.04584	5.7
171.42642	0.7
179.05598	12.9
191.05595	8.2
199.09796	1.4
221.06583	2.2
243.26765	0.8
247.11856	7.2
251.07762	2.2
379.16086	41.6
380.16394	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	379.1607
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.59053	0.5
53.59255	0.5
55.01876	4.0
57.03455	3.8
58.00599	0.6
59.01380	37.3
59.38211	0.5
60.01688	0.9
65.09403	0.5
69.03462	1.4
69.38876	2.2
70.80871	0.5
71.01382	66.4
72.01722	1.0
72.99291	0.5
73.02946	29.4
75.00881	1.6
83.01388	8.9
85.02950	29.2
87.00864	2.6
89.02447	22.2
95.01376	4.9
97.02960	3.0
99.00878	10.7
99.04450	0.6
100.01705	0.6
101.02444	43.5
102.02761	0.8
111.00903	0.5
113.02454	26.8
114.24387	0.6
115.04022	1.3
119.03478	3.1
125.02460	3.3
129.01926	0.7
131.03482	3.6
143.03506	3.1
149.04523	3.2
154.31221	0.5
159.03011	5.6
161.04559	32.7
165.81355	0.5
179.05585	0.7
191.05658	1.0
233.06639	2.7
247.11852	52.8
248.12120	3.4
277.14960	0.6
280.45456	0.6
285.94647	0.6
293.08826	1.1
379.16080	100.0
380.16403	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	379.2854
Annotation	Persin
Peak:m/z	Relative Intensity
52.81776	1.4
53.91764	1.1
55.90665	1.3
59.01371	1.8
69.95258	3.6
84.93849	1.7
99.92581	24.5
100.92699	1.4
100.93374	3.7
105.87495	1.2
115.92075	7.2
116.92857	35.2
281.90131	1.2
295.09042	4.8
341.10605	2.5
347.25931	9.6
358.78506	1.4
363.15274	6.8
364.64996	1.3
379.08374	2.8
379.15698	24.4
379.28519	100.0
380.15970	4.2
380.28818	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	379.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68379	1.2
56.20665	1.4
59.01368	1.3
59.32350	1.0
63.02215	1.2
64.22150	1.2
69.61800	2.4
69.62184	2.4
72.86697	1.0
73.52274	1.1
84.93842	2.0
98.21974	1.8
99.92592	12.9
100.93356	1.8
110.93170	1.1
115.92088	4.6
116.92865	20.7
121.93286	1.2
163.37007	1.4
166.42480	1.2
179.50296	1.3
294.08600	1.7
295.08701	6.4
299.31879	1.4
327.01062	1.3
341.10883	3.5
347.25891	8.5
363.15332	9.0
379.15826	10.4
379.28528	100.0
380.16190	1.9
380.28732	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	380.1561
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
59.01380	17.8
59.76085	0.4
61.98831	2.3
69.58099	1.3
71.01380	24.1
71.05020	5.5
72.01733	0.6
73.02941	1.4
83.01395	1.2
85.02934	2.5
87.00865	0.5
88.04037	4.5
89.02442	6.4
95.01395	0.6
99.04515	1.3
99.08469	0.5
101.02439	7.6
113.02465	2.8
116.07191	1.0
119.03488	2.4
128.07205	1.8
129.05602	0.5
146.08235	42.8
147.08577	1.1
161.04576	1.2
174.11324	0.5
200.09213	0.6
218.10419	0.5
228.69475	0.4
263.11404	0.6
282.70715	0.4
308.13467	4.5
362.14700	1.9
372.48608	0.4
380.15610	100.0
381.15909	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	380.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88514	0.2
59.01374	0.3
61.98829	100.0
62.43710	0.2
64.55601	0.3
66.69108	0.2
77.69589	0.2
98.21888	0.6
112.28188	0.2
151.07698	0.3
181.12325	0.3
195.13892	0.5
199.13382	0.5
234.27536	0.2
237.14806	0.3
239.16534	1.2
251.20313	0.3
255.16014	0.3
277.18118	4.9
277.21356	0.4
278.22131	0.3
279.19690	1.8
295.19199	7.4
295.22818	2.8
295.39206	0.2
296.23117	1.3
298.23630	0.3
320.21881	0.3
343.79727	0.2
362.24344	0.3
363.25452	1.9
380.20538	7.5
381.21106	0.4
381.26233	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74853	0.9
59.01377	100.0
60.01711	1.1
61.72830	0.9
85.32571	1.0
217.00232	2.0
320.25412	1.3
343.39188	0.9
368.07242	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.3
59.01377	0.6
61.98802	0.5
63.02395	1.7
65.00323	5.5
69.03434	0.3
76.92230	0.3
78.79525	0.3
81.03465	0.6
83.01382	4.1
95.01420	0.3
107.01392	7.9
109.02995	0.4
111.15676	0.3
112.28216	0.3
121.02953	0.4
123.04508	2.2
124.01685	1.1
125.02448	13.1
126.02804	0.4
137.02414	0.7
146.03673	0.5
147.04588	0.3
149.02454	0.4
151.00371	26.7
152.00865	1.0
158.03752	0.6
159.04514	0.9
161.02454	4.4
162.03175	0.4
164.01204	0.3
165.01941	1.5
167.03534	3.6
168.03775	0.4
169.01408	0.5
171.04527	0.9
172.05304	9.5
173.05763	0.9
174.03233	1.2
175.04028	2.0
175.07625	0.4
177.01918	2.9
182.03772	0.6
183.04483	1.1
185.06064	2.6
186.06836	2.1
187.04016	2.1
187.07671	1.1
188.04761	0.9
189.01950	0.6
196.05316	2.1
197.04521	0.5
197.28308	0.4
198.03236	0.9
199.04031	1.4
199.07632	0.6
200.04803	3.1
200.08461	0.9
201.09206	3.3
202.09378	0.5
203.03366	0.5
203.07169	2.1
209.06075	0.9
210.06845	1.2
211.04051	1.0
211.07605	3.6
212.04843	0.6
213.05510	1.2
214.02681	0.5
214.06326	1.0
215.03474	0.8
215.07159	0.7
216.04045	0.5
217.00298	0.5
224.04803	5.0
225.05472	0.9
225.09193	0.6
226.02718	0.9
227.03522	2.3
227.07121	1.1
228.82899	0.3
229.08699	9.8
230.09045	0.7
233.06102	0.7
236.04733	0.5
237.05580	2.7
238.06354	1.6
239.03476	0.3
240.04295	1.4
241.05043	0.9
243.02977	0.8
248.04829	1.4
249.05562	0.7
250.02748	0.6
250.06424	0.4
251.03395	0.6
251.07085	0.6
252.07846	0.4
253.05006	1.5
253.08705	1.6
254.05692	0.5
255.06651	4.9
256.06970	0.5
261.05548	0.8
262.06305	1.0
263.03519	1.1
264.04257	3.1
265.04922	2.2
266.05798	3.1
267.02933	0.7
276.07925	0.4
277.05029	2.0
277.08405	0.6
278.05652	1.0
279.06592	1.2
280.03723	0.9
280.07150	0.6
281.04510	2.0
283.02399	0.8
283.06186	1.0
284.02893	0.3
290.05905	0.9
291.10007	0.5
293.04517	0.9
293.08228	1.0
294.05365	0.7
295.06497	0.6
295.09769	3.2
296.03217	1.1
297.04025	0.5
305.04608	1.6
306.05313	3.0
307.06195	1.7
308.03406	2.3
308.06708	0.6
309.04044	13.1
309.07242	0.5
310.04449	1.1
319.09644	0.4
321.07672	0.4
322.04767	3.9
323.05588	7.8
324.06055	0.8
333.04068	1.2
334.04782	4.0
335.05429	1.4
335.09210	0.5
337.07181	19.5
337.10693	1.0
338.07507	2.0
339.86426	0.4
351.05078	3.5
352.05743	2.0
354.03918	0.5
363.08755	1.8
381.09790	100.0
382.10138	11.9
382.15033	0.6
402.11505	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45081	1.0
56.86003	1.2
57.03424	2.2
59.01375	2.6
61.98832	1.4
63.02396	4.0
65.00320	13.3
70.18224	2.8
71.05023	1.4
83.01395	7.1
101.02439	1.4
107.01380	14.6
123.04518	2.4
125.02454	11.9
131.07162	1.3
131.69839	1.5
135.08159	3.4
149.02451	1.2
151.00372	42.0
152.00720	2.5
167.03511	2.4
169.01460	2.3
171.10280	2.5
172.05280	10.0
173.05969	1.3
177.01927	3.7
185.06081	3.3
186.06856	2.9
199.07657	1.6
200.04723	2.1
201.09209	37.4
202.09523	2.7
211.07741	1.4
217.00348	2.7
227.07100	2.5
229.08707	24.4
230.09058	1.5
255.02849	1.6
255.06645	3.7
266.05817	1.3
279.06519	2.2
295.09821	1.6
297.04056	2.3
306.05237	1.6
309.04123	14.7
323.89719	1.2
337.07224	6.7
338.07767	1.5
353.10495	5.5
363.08743	23.9
364.08871	3.0
381.09778	100.0
382.10147	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	381.123
Annotation	Nerolidyl diphosphate
Peak:m/z	Relative Intensity
52.06142	0.8
57.03449	1.1
59.01380	30.6
61.98818	1.2
69.03457	1.5
69.98492	1.9
69.98831	1.3
79.33652	0.9
85.95679	0.9
93.03477	2.2
95.05028	2.9
96.13639	0.9
109.06633	0.9
111.08225	1.1
121.06583	1.9
131.07161	1.3
132.98227	1.0
143.17162	0.9
156.58208	0.9
158.84686	3.5
167.10831	3.1
174.99265	5.5
179.14453	2.7
193.12422	1.0
195.13927	6.2
197.11922	1.6
205.12355	3.4
209.01375	1.5
217.00313	1.6
221.62492	1.0
223.13402	12.9
224.13786	1.1
245.05212	1.0
249.26227	0.9
255.02979	6.5
259.06555	2.6
265.03918	1.0
275.05933	1.8
276.86761	0.9
277.07611	6.9
279.09106	14.8
279.12009	1.1
283.02661	2.2
291.19711	1.2
293.10641	2.8
294.84488	1.0
307.19275	1.0
309.20929	1.8
321.10172	60.2
322.10474	4.8
343.24841	3.2
381.12405	100.0
382.12671	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	381.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94999	1.0
57.03446	1.3
59.01378	21.7
61.98828	16.1
65.50240	1.0
71.01384	12.4
72.00900	2.2
73.02943	5.3
75.00854	2.3
80.11790	1.0
80.49643	0.9
81.00839	0.9
83.01359	1.0
85.02944	3.9
87.00875	1.8
89.02438	11.3
92.05067	2.2
99.00900	1.6
100.04060	1.2
101.02440	9.3
113.02459	5.5
114.06425	1.2
116.05048	4.1
119.03510	3.0
130.06648	2.3
131.03726	4.0
132.04546	9.4
135.04509	3.0
142.06612	1.5
143.03523	1.5
143.06110	1.4
144.04524	8.5
149.04549	2.1
154.06586	1.5
156.06911	6.7
157.07701	5.5
158.04854	2.2
158.06097	3.7
158.77094	1.0
159.05582	2.3
160.04036	8.8
161.04535	3.3
167.06168	11.3
169.07715	4.6
170.06102	2.3
171.09264	9.7
172.04048	1.5
173.07176	9.7
176.07149	2.9
179.05856	2.5
180.06998	1.4
181.07703	59.8
182.06128	1.3
182.08009	3.4
187.08763	3.0
188.05914	3.1
189.01837	1.2
191.05505	1.7
197.07114	5.7
199.08751	34.7
200.09138	2.5
201.06688	4.3
207.08672	7.1
213.06732	1.3
217.00337	1.9
217.09772	3.3
219.01335	1.4
226.05048	3.9
243.07709	26.4
244.08101	1.8
249.09749	2.2
261.08789	100.0
262.09100	8.9
273.08829	2.3
291.09760	2.1
321.11761	1.4
339.12924	9.4
363.12064	3.5
373.05106	1.2
381.08646	1.4
381.13062	26.2
381.17130	2.2
382.13699	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	381.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.7
59.96731	2.3
61.98817	2.6
70.04135	2.6
74.99070	23.2
77.87674	0.8
91.02207	45.5
92.02160	0.8
92.99552	1.0
93.00125	15.7
99.92560	1.7
116.92941	1.4
118.89984	1.3
143.05276	1.7
159.08464	100.0
160.08638	4.4
161.06386	12.5
169.40079	1.0
174.21046	0.9
190.56078	0.9
217.00301	2.1
295.19128	1.0
308.76712	0.9
365.10919	2.3
381.29205	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67429	1.3
79.95744	2.5
84.93864	5.5
96.96008	13.9
99.92585	50.2
100.92609	2.6
100.93368	12.9
100.94014	0.8
115.92070	22.5
116.92860	100.0
117.92852	5.9
126.81654	0.9
127.95749	1.0
200.27219	0.9
240.64909	0.9
251.23714	1.0
303.38336	1.1
345.24081	1.3
351.16309	1.4
381.17368	74.2
381.23053	17.6
382.17545	12.3
382.23395	3.3
384.21362	1.1
391.30933	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.0
57.03449	3.9
58.00584	0.7
59.01377	40.3
60.01698	0.5
64.03127	0.4
69.03439	1.7
70.81979	0.5
71.01379	46.9
72.01720	0.5
72.99297	1.1
73.02944	30.9
74.03265	0.5
75.00880	1.2
81.03442	0.7
81.58407	0.4
83.01382	13.2
85.02949	27.8
85.06573	0.7
86.00105	1.2
87.00878	3.2
87.08149	1.2
89.02443	10.6
95.01389	3.0
97.02947	3.1
99.00875	10.1
101.02442	61.2
102.02773	1.4
109.02948	0.4
111.00857	2.0
112.37347	0.3
113.02444	20.5
114.02798	0.7
115.04025	1.8
119.03501	0.5
125.02428	3.7
129.01926	1.7
131.03511	2.9
143.03505	2.6
149.04538	1.2
157.08711	0.7
159.03009	4.3
161.04556	17.3
162.04919	0.5
177.01996	0.4
191.05630	0.8
205.03513	0.5
233.06615	1.8
249.13416	88.8
250.13770	5.8
293.08765	0.9
293.12222	0.7
381.17627	100.0
382.17950	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	381.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46365	0.4
55.01878	6.3
55.53141	0.4
55.67451	0.4
57.03453	3.7
58.00605	0.4
59.01379	43.9
60.01702	0.4
66.64310	0.4
69.03461	1.4
69.19341	2.3
71.01382	51.4
72.01734	0.8
72.99311	0.9
73.02947	35.7
74.03280	0.7
75.00867	2.1
81.03454	0.9
83.01387	12.4
85.02950	28.9
86.00091	1.9
86.03289	0.5
87.00872	3.9
87.08163	0.7
89.02446	11.8
95.01398	3.2
97.02962	3.5
99.00880	11.1
99.04517	0.6
101.02446	67.9
102.02806	1.8
111.00894	2.0
113.02452	21.5
114.02728	0.4
115.03991	2.1
117.03458	0.4
119.03497	0.5
123.04613	0.5
125.02461	3.0
127.03992	0.5
129.01944	1.9
131.03487	3.5
143.03496	2.8
149.04541	0.6
157.08713	0.9
159.03018	4.4
161.04558	18.3
191.05630	0.7
233.06654	2.0
249.13435	90.4
250.13745	5.0
293.08835	1.0
381.17648	100.0
382.18027	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	381.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05039	2.3
58.02853	2.7
59.01377	16.9
61.98829	6.3
62.67132	2.5
69.51453	10.8
72.39037	2.8
81.07087	5.9
81.46105	2.6
98.22660	3.7
105.01936	22.6
117.02827	2.8
120.05820	2.8
135.11810	7.6
163.11278	11.9
166.77158	2.9
174.99207	5.7
181.12248	4.4
185.11902	3.8
199.13397	38.8
200.13834	3.4
217.00322	30.8
221.34518	3.7
252.12798	2.7
295.19022	11.3
309.32352	2.5
314.37418	3.0
345.24017	3.3
381.26450	100.0
382.26749	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	381.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01341	1.0
61.98795	0.4
69.87337	0.3
69.87685	0.7
73.57337	0.2
75.51911	0.2
77.08469	0.3
82.10206	0.3
98.21902	0.3
101.06071	0.4
109.06568	0.6
115.72588	0.2
121.06525	0.3
137.06050	0.7
138.06873	2.0
141.09148	0.3
149.06033	0.8
151.07613	1.6
154.77074	0.4
164.08397	0.6
165.09203	0.5
170.05888	2.4
174.99237	0.3
181.12292	0.4
191.10815	0.3
192.11499	0.8
199.13394	0.9
217.00282	1.4
219.17606	0.3
233.19002	1.6
235.20634	1.0
249.18597	0.5
251.20158	3.2
261.18582	0.5
265.17947	0.3
277.18076	77.9
278.18417	7.1
279.19650	23.4
279.24106	0.4
280.20004	2.2
295.19131	100.0
296.19485	9.4
306.18384	0.3
335.25687	0.3
345.24463	0.8
363.25406	19.2
364.25775	2.6
381.26474	6.4
382.26886	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.6
60.54937	0.2
67.05609	0.3
67.91203	0.3
69.72591	0.2
69.87722	0.7
71.05038	1.1
97.06658	0.3
98.21884	0.3
115.04077	0.2
121.06633	0.2
122.03742	0.5
127.11283	0.8
134.46187	0.3
138.06863	1.5
151.11295	0.8
153.12848	4.0
155.14371	0.5
163.11276	1.9
165.09274	0.3
165.12823	5.0
170.05832	2.5
179.10771	11.6
180.11147	0.8
181.12340	35.7
182.12674	2.5
192.11548	0.7
192.31670	0.2
195.10248	2.6
197.11827	3.0
199.13387	100.0
200.13710	5.2
215.12839	2.8
216.13188	0.3
217.00342	1.0
255.15747	0.3
304.13986	0.3
345.24316	0.3
363.25397	5.8
364.25580	0.8
381.11325	2.1
381.26474	4.7
382.11401	0.4
382.26727	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01316	2.0
61.98759	13.8
69.03353	0.7
69.28258	2.3
70.67809	0.5
79.52134	0.6
82.88123	0.6
101.06010	0.8
104.18897	0.6
131.18114	0.6
137.06010	0.7
138.06795	2.1
149.06055	1.2
151.07587	1.0
164.08452	1.1
170.05833	3.1
174.99109	0.8
192.11398	0.9
199.13377	1.6
217.00235	2.6
226.16637	0.7
233.19054	1.8
235.20654	1.1
249.18701	1.4
251.20076	3.1
255.15988	2.0
259.17334	0.6
277.18073	79.0
278.18442	8.4
279.19629	23.7
280.19873	2.7
291.19647	1.0
295.19144	100.0
296.19501	9.1
345.24380	2.6
363.25421	17.5
364.25885	2.6
381.26416	6.1
382.26602	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2647
Annotation	2,6,10,14-Tetramethyl-6,10,15-hexadecatriene-2,3,8,14-tetrol 8-acetate
Peak:m/z	Relative Intensity
58.00588	1.3
58.30466	0.9
59.01365	2.8
61.98804	1.2
63.65224	0.7
69.40166	2.9
70.47176	0.7
71.05021	14.9
73.06573	1.4
97.06601	6.5
99.04526	1.8
101.06081	19.1
135.04532	1.2
174.99245	0.9
181.12473	1.6
185.11832	1.2
199.13440	2.7
215.33511	0.8
217.00304	4.2
273.18677	2.6
277.18024	4.3
279.19647	21.0
280.20013	1.8
283.22754	1.2
291.19601	7.3
292.20126	1.1
295.19189	5.0
309.20688	9.5
321.24249	2.0
345.24271	5.9
363.25464	7.1
364.25861	1.1
370.21240	0.8
381.26450	100.0
382.26816	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	381.2648
Annotation	2,6,10,14-Tetramethyl-6,10,15-hexadecatriene-2,3,8,14-tetrol 8-acetate
Peak:m/z	Relative Intensity
55.01857	1.2
59.01371	4.1
61.98823	1.0
71.44025	0.8
81.07088	4.6
85.06610	1.4
118.74324	0.9
120.56438	1.0
135.11797	8.9
155.14420	1.0
163.11278	11.8
163.13356	1.1
164.07434	0.9
174.99097	0.9
181.12344	6.4
185.11852	1.2
193.78406	1.0
199.13391	46.7
199.15247	2.2
200.13763	1.6
217.00296	6.0
291.19629	1.9
295.19128	10.4
322.90414	1.0
345.24286	2.6
363.25308	1.9
381.26471	100.0
382.26810	12.8
389.29874	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97152	0.5
55.01877	0.7
59.01372	5.6
60.01701	0.6
61.01763	0.6
61.98830	1.2
65.18633	0.5
69.03458	0.6
69.62577	0.7
69.62904	1.3
71.01384	6.2
72.01733	1.2
73.01811	1.1
73.02937	2.9
74.03260	0.8
74.39362	0.5
83.01393	0.7
85.02937	2.3
87.00874	0.9
89.02428	1.5
89.03929	0.8
91.01920	0.6
99.00896	0.9
101.02467	3.3
102.02804	1.0
103.02831	1.5
113.02435	1.9
115.88309	0.6
119.03590	0.5
132.04543	0.8
133.02965	5.4
135.00850	0.7
135.04529	1.4
149.02380	1.0
158.06097	1.5
161.02444	8.9
161.04564	1.8
162.04962	0.7
163.05086	0.9
177.01926	100.0
178.02298	3.4
179.03534	0.5
180.52576	0.6
191.05585	0.8
202.05112	0.6
219.03040	0.9
247.11848	0.7
248.12148	1.4
249.12408	1.7
250.12717	1.0
293.98175	0.5
301.80576	0.5
365.88962	0.7
373.36023	0.5
381.16586	1.9
382.12054	0.8
382.16888	10.0
383.09760	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	382.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.5
61.98841	3.3
66.12565	0.6
67.57316	0.6
69.14936	2.4
69.15330	1.2
71.01384	13.8
73.02944	0.8
74.93549	0.7
75.03284	0.7
85.02938	1.9
89.02431	6.2
92.05079	5.8
95.01406	0.7
98.22673	1.3
101.02464	3.7
112.98800	1.0
113.02453	2.8
119.03496	2.1
119.05058	0.8
120.04546	1.5
128.05084	9.7
129.05600	1.7
130.06627	52.0
131.07002	1.7
147.77972	0.7
148.07718	3.8
149.06097	1.1
158.06094	9.6
160.04030	0.8
161.02452	1.8
161.04567	1.1
163.04018	1.9
176.07162	100.0
177.05415	0.7
177.07489	3.1
179.07106	1.0
221.04610	2.8
261.78445	0.7
265.07114	1.3
277.07141	0.7
295.08121	0.9
296.11276	1.3
322.16025	0.9
323.16974	1.8
338.12408	2.2
343.56061	0.8
382.17798	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	382.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44699	0.5
59.01368	0.5
61.98827	100.0
65.00323	1.6
71.43778	0.6
81.03488	0.6
83.01405	1.2
94.68817	0.5
101.78318	0.5
107.01386	2.7
108.02187	1.5
123.04543	2.4
125.02431	3.4
134.03775	1.1
135.04581	1.1
136.01649	1.5
147.04556	0.6
148.05399	0.4
151.00359	7.6
164.01164	2.9
167.03471	4.6
172.05374	0.8
173.05939	0.6
174.03221	0.6
175.04042	1.7
176.04776	7.9
177.02054	0.6
177.05148	0.5
187.07680	1.8
192.73586	0.5
194.00250	0.5
196.00113	0.6
199.04057	1.0
201.01840	0.6
202.06360	0.7
215.07219	1.6
217.12343	1.0
231.10182	2.9
241.05055	0.6
249.10989	0.5
259.82071	0.4
283.13382	9.8
284.13745	1.1
285.03989	3.1
286.04727	3.8
299.09085	0.5
301.14456	8.9
302.14767	1.0
310.04446	0.8
319.15479	25.0
320.15814	2.3
339.08792	0.6
365.10474	0.7
367.17017	0.5
382.10260	3.9
383.11334	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	382.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85057	0.6
59.01378	100.0
60.01732	0.9
61.98832	0.8
71.14590	1.0
73.76320	0.9
86.29043	0.7
91.79117	0.7
111.44282	0.7
168.55824	0.7
178.03870	0.8
283.51602	0.9
322.27670	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.6
61.98817	0.6
69.90904	0.8
69.91257	0.9
71.01385	2.3
73.02933	1.1
79.95733	2.7
85.02934	0.8
89.02449	1.2
93.03477	1.5
94.98087	2.5
96.96014	100.0
101.02451	1.7
113.02407	0.7
133.02971	1.0
135.04521	1.8
151.00385	1.3
161.02499	2.5
161.04515	0.6
162.02800	0.7
173.04581	3.2
179.03485	1.2
188.98737	0.6
203.97394	0.6
255.03143	0.6
256.03815	0.7
284.03174	1.1
285.03943	2.7
340.99835	5.5
341.10815	0.8
342.00119	0.7
354.95621	0.6
355.98492	8.4
382.96848	1.6
383.00937	14.0
383.11182	0.6
383.17154	1.0
384.01093	1.5
384.98605	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1137
Annotation	(2S,3S)-3,5,7-Trihydroxy-2'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone
Peak:m/z	Relative Intensity
52.89587	0.4
59.01367	1.5
61.98822	0.5
63.02395	2.1
65.00327	11.9
69.38187	1.4
69.38594	1.1
70.66213	0.4
71.62415	0.4
74.75580	0.4
83.01392	6.1
85.96694	0.5
104.04079	0.4
107.01392	17.7
108.01669	0.5
112.74184	0.5
122.03719	0.5
123.04536	0.8
125.02441	3.2
134.03760	1.2
135.04509	0.9
136.01678	0.6
136.97415	0.5
148.05304	19.4
149.05708	0.8
150.03230	0.7
151.00372	100.0
152.00705	3.8
160.05284	0.6
162.03214	3.0
164.01144	3.2
165.01920	0.6
167.03500	1.4
169.01474	1.6
174.03246	1.1
174.06860	8.3
176.04756	1.1
177.01949	0.6
177.09175	0.5
180.04289	2.6
187.07632	0.6
199.04022	1.8
203.10779	68.8
204.11104	4.5
215.03508	0.5
226.37672	0.5
231.10254	52.3
232.10562	4.1
257.04422	0.5
257.08203	1.2
285.04059	3.7
286.04865	4.1
287.05081	0.5
383.11353	23.6
384.11691	2.8
408.04333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.1
61.98831	3.8
63.02399	1.9
65.00326	13.3
70.29430	0.7
71.01369	1.2
71.44759	0.9
81.03448	0.9
83.01396	6.4
107.01387	15.7
116.01671	0.8
120.28732	0.7
122.80785	0.8
123.04539	1.5
125.02451	3.9
133.02974	0.9
134.03755	1.7
135.04517	1.9
136.01736	1.4
140.94081	1.0
147.04504	1.6
148.05298	14.2
149.02457	1.0
151.00372	100.0
152.00720	2.7
162.03214	1.9
164.01128	3.7
165.05551	4.4
167.03519	2.4
169.01494	1.4
173.06075	1.1
174.06876	8.3
175.07613	1.2
177.01932	1.0
179.03622	1.2
180.04303	2.6
187.07643	1.7
199.03989	2.1
201.01932	1.4
202.06371	1.7
203.10779	63.3
204.11111	4.3
209.11801	1.1
213.09219	1.8
223.74864	0.8
231.10245	52.8
232.10670	4.2
257.08090	1.0
274.08786	0.8
285.04129	3.6
286.04849	5.9
365.10287	3.3
383.11353	28.6
383.15692	1.6
384.11676	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	383.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06522	0.3
57.03447	6.1
59.01379	0.7
63.02394	2.6
65.00324	16.9
65.03942	0.3
69.03422	0.4
81.03453	5.7
83.01384	12.7
84.01701	0.3
85.26075	0.3
95.05023	0.8
98.22646	0.5
99.04548	0.5
107.01389	23.0
108.01690	0.7
108.99339	0.5
122.03832	0.4
123.04530	20.0
124.01656	0.5
124.04859	0.8
124.63267	0.4
125.02446	48.2
126.02797	1.5
130.04263	0.5
135.04568	0.4
136.01671	0.5
139.14194	0.4
146.03757	1.5
149.06047	0.5
151.00371	100.0
151.03853	2.0
151.07663	1.3
152.00699	3.1
158.03700	1.8
159.04521	3.4
159.08136	0.5
164.01160	1.2
165.01996	0.5
167.03497	34.0
168.03865	1.5
169.01456	1.1
172.05296	9.8
173.06082	5.4
174.03229	0.4
174.06763	0.5
176.04805	0.6
177.02011	0.6
187.04140	3.8
187.07640	67.2
188.08006	4.7
194.50510	0.4
199.03979	1.3
200.04756	3.3
201.05566	12.2
201.09274	0.6
202.06351	25.5
203.06767	1.9
203.10844	0.6
204.04216	0.7
213.09180	2.2
215.07115	11.5
216.07794	1.5
227.03502	0.6
228.04286	0.7
231.10248	23.2
232.10619	1.6
257.08215	5.0
281.08093	0.3
285.04053	1.2
286.04843	1.5
297.11169	0.4
309.04037	1.2
310.04849	1.1
321.11200	0.6
334.01822	0.4
339.08719	19.3
339.12143	0.9
340.09058	2.2
365.10382	3.3
366.10571	0.4
383.11349	14.5
384.11646	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07333	0.4
57.03448	5.6
59.01385	0.6
63.02385	1.4
65.00325	17.6
70.00966	1.1
70.01309	0.7
72.00768	0.5
81.03463	4.6
83.01387	12.7
107.01391	23.2
108.01662	1.0
108.09462	0.6
123.04530	20.3
124.04839	0.8
125.02448	49.9
126.02724	0.9
128.28015	0.6
134.11925	0.4
135.04593	0.5
136.01654	0.5
146.03734	0.6
151.00377	100.0
151.03880	2.6
151.07657	1.6
152.00697	3.2
158.03754	2.0
158.12616	0.4
159.04552	3.0
164.01163	1.8
167.03503	36.3
168.03870	1.3
172.05310	9.6
173.06065	4.5
174.03221	0.7
175.54971	0.4
177.02010	0.5
187.04208	2.7
187.07648	71.5
188.08003	3.7
191.67738	0.6
195.03076	0.5
199.03984	1.1
200.04823	2.4
201.03767	0.4
201.05565	12.3
202.06363	28.0
203.06766	1.9
203.10661	0.6
213.09209	1.8
215.07124	11.2
216.07628	1.7
228.04230	0.7
229.08733	0.6
231.10266	22.1
232.10657	1.3
239.07118	0.7
257.08185	5.4
258.08438	0.6
281.88788	0.5
285.03998	0.6
286.04819	1.5
291.73941	0.5
297.11435	0.6
309.03931	1.5
310.04819	0.8
321.11398	0.7
339.08698	18.5
339.12238	1.1
340.09229	2.0
365.10175	3.7
366.10611	0.5
383.11383	15.7
384.11700	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1134
Annotation	Ophioglonol prenyl ether
Peak:m/z	Relative Intensity
53.52192	0.9
59.01364	1.2
63.02388	5.2
63.33321	1.2
65.00324	12.4
70.50610	2.3
80.02665	3.7
83.01376	5.1
95.01424	1.4
107.01380	15.8
108.02187	18.2
111.17347	1.0
119.04963	1.3
124.01693	2.9
125.02452	3.4
131.04990	1.6
133.02931	3.5
134.03748	13.0
135.04530	11.5
136.01666	21.4
143.05017	1.8
144.51611	1.0
145.02866	1.4
145.06615	1.0
147.04616	5.1
149.99588	1.5
151.00377	37.9
152.00919	1.9
155.05090	5.1
160.01683	1.4
161.02467	1.4
161.06085	2.1
164.01163	66.3
165.01573	2.3
167.03462	1.2
171.04530	3.9
173.02463	3.8
173.06117	1.4
174.03201	13.9
175.03943	6.4
177.01917	3.2
185.02386	1.8
185.06110	2.4
187.04021	4.5
188.04799	2.5
189.05585	4.0
196.00124	9.5
198.03214	2.0
199.03987	27.9
200.04611	2.1
201.01926	15.2
202.02583	1.4
211.04071	2.1
213.05533	4.8
215.03435	9.2
216.04204	3.4
217.04974	3.3
229.05074	1.4
230.05798	1.2
239.03458	1.6
240.04202	3.2
241.05063	5.7
242.05901	6.9
243.02924	3.2
257.04538	12.2
258.05267	7.5
268.03687	1.8
285.04044	69.2
286.04803	100.0
287.05237	8.4
309.20605	1.6
365.10291	3.2
383.11328	56.9
384.11679	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	383.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51274	0.6
55.01886	3.7
57.03444	2.6
58.00598	0.7
59.01379	45.6
60.27523	0.6
61.98818	1.0
69.03457	1.8
70.67635	0.7
71.01382	51.1
72.01723	0.8
72.99301	1.0
73.02945	24.9
73.42781	0.6
75.00877	1.6
76.21156	0.6
81.03455	1.5
81.16623	0.6
83.01394	9.4
85.02951	21.9
86.75144	0.7
87.00871	3.1
89.02446	23.9
95.01385	3.9
97.02933	4.8
99.00887	13.0
99.04520	1.1
101.02445	53.1
102.02794	1.8
111.00888	1.7
113.02448	20.0
115.03987	2.2
119.03535	3.9
125.02428	5.6
129.01894	1.1
131.03513	4.2
143.03488	3.6
149.04584	4.5
159.03017	3.7
161.02515	1.3
161.04558	27.6
162.04945	0.9
172.95848	0.6
179.05649	0.6
181.57024	0.6
191.05629	2.6
233.06625	5.1
251.11351	63.2
252.11682	3.3
293.08740	2.1
341.10815	1.0
383.15567	100.0
384.15891	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	383.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06517	2.6
57.29925	3.3
59.01386	7.4
61.98830	100.0
70.45421	5.4
70.67603	3.2
74.11373	3.2
75.29562	3.0
81.28999	3.0
89.02444	3.7
105.23537	3.0
117.17383	3.2
136.58022	3.1
212.10841	2.9
212.19641	2.8
222.96906	3.4
341.32492	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	383.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	5.4
59.44629	1.2
61.98832	2.2
64.88579	1.3
71.43139	1.4
79.76551	1.6
87.00882	1.5
116.85803	1.2
144.77193	1.2
179.14445	1.4
207.36484	1.3
281.58704	1.4
303.26913	1.5
347.25897	100.0
348.26282	12.7
358.31854	1.4
365.26941	34.0
366.27225	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	384.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.6
57.55331	2.0
58.01487	2.1
59.01379	84.5
69.68517	6.0
69.68872	3.7
71.01386	48.9
73.02938	5.3
79.06332	2.2
83.01418	2.1
85.02950	26.2
87.00880	5.5
89.02441	67.1
93.03448	3.6
101.02438	24.6
108.49913	2.1
108.95213	2.3
113.02436	19.6
119.03495	22.4
125.02460	3.0
127.72058	2.4
131.03519	5.6
134.93358	2.3
135.04463	2.4
139.00461	2.3
143.03493	4.7
161.04514	7.6
173.04584	4.6
174.64955	2.1
179.05602	25.1
191.05623	33.6
192.05988	20.6
300.05396	2.4
341.10898	100.0
342.11148	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	384.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.4
58.16954	2.2
59.01381	80.8
62.07436	2.1
63.82340	2.2
67.97181	2.6
70.61616	2.0
70.61953	2.8
71.01006	3.6
71.01383	48.9
85.02954	24.1
89.02442	61.8
97.02928	2.2
100.43002	2.0
101.02446	23.5
113.02449	16.5
119.03519	24.3
131.03510	2.5
143.03479	5.4
150.67947	2.3
155.47182	2.3
161.04527	5.1
179.05605	27.2
191.02043	4.8
191.05620	30.3
192.05963	23.8
271.35022	2.3
341.10898	100.0
342.11115	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	384.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68664	17.6
56.31940	18.7
59.01387	97.9
69.45091	70.2
71.01349	42.6
78.70975	16.6
85.02962	50.8
88.98830	33.4
89.02445	32.2
95.08647	57.4
98.21908	43.7
98.87254	17.2
101.02428	39.4
112.39458	17.8
127.04041	17.1
146.03748	36.4
149.02454	29.9
161.02319	29.2
164.04759	52.5
167.07088	22.7
169.08684	100.0
177.01892	25.6
179.07159	96.6
191.05632	29.3
203.28973	19.0
223.06033	41.1
349.14966	60.2
384.09933	20.9
385.11908	25.4
386.93048	21.0
400.23096	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.4
59.01385	2.4
59.34370	0.3
59.49509	0.3
69.33572	0.8
69.33954	0.6
71.01384	3.1
73.02942	1.6
83.01358	0.9
85.02943	2.5
89.02449	0.4
99.00875	0.7
101.02445	3.7
105.03487	0.7
113.02452	1.4
117.03468	0.7
132.02185	1.2
133.02957	32.0
134.03355	1.0
135.04518	6.5
152.03555	0.6
161.02444	100.0
162.02774	5.1
174.80505	0.3
179.03473	2.8
205.05046	0.4
223.06000	0.4
385.11392	69.5
386.11707	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	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.2
59.47443	0.6
62.19035	0.5
64.62457	0.7
69.37943	3.2
71.01389	3.1
71.39127	0.6
73.02954	1.1
83.01413	0.6
85.02952	2.2
90.74848	0.6
97.53930	0.6
98.21887	1.4
99.00857	1.0
101.02451	3.4
113.02477	0.8
117.03487	0.7
132.02136	1.2
133.02959	26.6
134.03441	1.2
135.04518	6.8
161.02449	100.0
162.02812	5.4
179.03494	3.5
223.06158	0.7
243.34331	0.6
385.11392	55.1
386.11639	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	385.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.8
59.01379	9.1
68.99839	0.9
69.03446	1.0
69.41790	2.3
69.42182	1.9
71.01388	7.1
73.02939	2.1
77.18991	0.7
83.01379	1.5
85.02960	3.5
87.00867	1.0
89.02448	2.9
98.21886	1.7
99.00865	1.3
101.02446	6.1
101.12173	0.7
104.91447	0.8
105.03497	0.9
111.00864	1.1
112.98779	1.9
113.02451	1.7
119.20731	0.7
123.04507	0.9
126.32526	0.7
128.50174	0.7
132.02153	1.3
133.02956	25.8
134.03668	1.5
135.04503	9.4
137.18941	0.8
142.99934	1.3
149.02417	1.4
149.06061	1.0
152.03539	3.7
161.02443	100.0
162.02800	5.5
164.04832	0.9
177.05554	2.1
179.03468	5.9
221.04591	3.0
223.06143	3.4
226.53131	0.8
298.00385	0.8
312.02859	0.8
385.11356	69.1
386.11453	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	385.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.7
57.03437	4.1
58.80835	1.1
59.01376	25.4
61.01809	1.2
61.98821	5.2
69.03453	3.1
70.21940	1.1
71.01376	22.4
71.44076	1.2
72.99282	1.4
73.02942	17.4
74.00996	1.1
75.00867	1.7
75.97344	1.2
79.17445	1.3
83.01402	5.2
85.02946	35.3
87.00859	3.2
89.02433	8.0
93.03493	1.3
93.18711	1.3
95.01360	1.8
97.02972	8.8
99.00852	5.8
101.02441	30.5
102.02776	1.5
113.02424	10.6
115.02552	1.7
115.04044	1.5
117.00465	3.3
119.03500	2.0
119.04986	1.3
123.04528	5.1
125.02451	2.5
129.01924	2.0
131.01938	2.6
131.03494	2.6
133.88525	1.4
135.04486	1.5
141.00415	1.6
143.03447	1.4
149.06100	1.6
155.38924	1.3
159.01549	1.5
159.02919	1.8
159.78532	1.2
161.04546	11.3
173.04521	1.5
175.03946	1.1
179.05519	1.6
183.01543	1.8
185.03040	3.1
187.09776	3.1
191.01955	6.1
191.05649	2.9
202.99011	1.5
207.08734	43.9
208.08922	2.9
209.03000	1.9
249.06186	7.7
274.99353	2.5
289.00876	2.3
293.08694	2.7
339.12933	100.0
340.13095	5.6
342.11169	1.7
357.00244	1.4
384.99683	1.3
385.11652	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	385.1403
Annotation	GS-1
Peak:m/z	Relative Intensity
56.63017	0.5
59.01368	2.3
61.98835	3.2
64.83138	0.5
66.92469	0.5
70.66525	1.0
71.01378	1.1
73.02931	0.6
91.38845	0.9
93.03411	0.6
97.48802	0.5
99.00857	0.9
111.00851	0.8
112.98826	1.3
122.06120	0.9
133.02979	0.8
135.04536	1.3
142.99875	2.3
150.05618	2.2
160.01726	0.5
161.02432	2.2
173.00929	1.9
174.01689	6.7
175.02376	0.6
177.05704	0.6
179.03526	0.7
190.05106	2.3
192.06741	0.7
193.07773	0.7
207.09242	1.3
211.13493	1.0
217.61763	0.5
218.04555	2.4
220.06303	1.0
221.07256	2.2
222.07687	3.2
223.08620	1.0
223.13472	0.7
234.08102	1.0
235.08727	9.8
236.09349	1.8
237.10268	2.4
249.04359	0.9
249.06714	9.1
250.07169	5.6
251.08266	0.8
251.12007	0.8
252.09056	0.9
253.09723	0.6
263.08224	18.4
264.08914	7.9
265.09830	3.1
267.07788	1.0
267.12042	0.8
278.06842	0.6
279.07803	4.3
280.08594	0.8
281.09332	3.9
282.09656	0.9
291.07864	3.9
293.05630	3.1
293.09311	1.5
295.10822	6.8
296.11398	1.2
307.07257	12.5
307.11142	1.4
308.07913	5.8
309.08713	1.5
311.10437	0.9
322.09680	1.6
323.10367	22.7
324.10605	2.5
325.08475	1.0
325.12405	0.6
339.09836	18.8
340.10373	4.3
349.13052	0.9
355.12973	100.0
356.13312	12.6
356.16870	0.4
367.13766	2.5
385.14090	15.3
386.14401	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09310	1.3
57.03438	2.5
59.01385	6.9
61.98826	9.0
62.94260	1.2
69.03464	1.8
71.01379	11.2
71.09142	1.5
72.99297	8.1
83.01400	3.3
85.02937	1.5
87.00872	2.2
89.02480	1.8
89.97765	1.2
99.00877	19.4
111.00881	4.5
112.98809	27.5
115.00381	8.3
124.98778	1.7
133.02858	1.4
135.04555	6.5
142.98808	2.8
142.99866	36.6
145.01428	2.0
156.00613	3.7
161.02444	3.8
162.57782	1.4
173.00912	24.9
173.04549	1.9
174.01704	100.0
174.09650	1.5
175.02376	7.7
179.03482	3.1
193.12399	1.7
195.13892	1.7
205.12367	2.6
211.13400	32.4
212.32898	1.5
219.69145	1.4
223.13390	12.6
235.13376	2.1
237.11348	1.6
237.14897	3.0
245.11743	1.7
249.11221	1.6
263.12979	4.4
267.12430	13.1
277.14618	1.7
279.12280	2.5
284.03244	2.0
287.12875	2.6
307.11844	11.5
325.13092	3.2
331.11945	3.7
337.12854	1.8
349.12918	8.0
367.13971	37.4
368.14233	4.0
385.15393	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	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00954	1.2
57.03453	3.3
59.01380	7.4
61.38980	1.1
68.99812	1.4
69.03469	1.2
69.13419	6.9
71.01377	13.7
72.99300	6.4
73.02972	1.3
73.40800	1.1
83.01392	3.3
83.05017	1.8
85.02928	1.6
87.00871	2.2
89.02479	1.6
93.21828	1.2
95.05028	1.7
99.00881	26.3
101.02416	2.0
101.33039	1.2
108.02229	2.0
111.00886	4.4
112.98795	24.1
113.99611	1.7
115.00388	5.6
124.98849	3.3
134.03819	1.3
135.04536	2.8
140.01147	1.9
142.99857	39.5
144.00171	1.3
145.01402	1.7
156.00682	4.0
161.02484	3.4
164.04839	1.5
173.00914	22.5
174.01691	100.0
175.02428	8.4
177.05624	1.8
179.03500	2.0
179.14357	1.8
195.13931	1.8
205.12291	2.9
207.13957	1.8
208.93993	1.3
211.13383	28.0
212.13719	1.4
219.13857	2.2
223.13374	20.4
224.13655	1.4
235.13403	1.9
237.11354	1.8
237.14970	2.5
245.11861	3.5
249.15320	1.5
251.12689	2.6
261.11270	1.6
263.12823	6.7
267.12296	18.4
268.12674	1.4
279.12476	6.4
281.13867	1.8
287.12967	1.7
289.11053	1.4
293.14008	1.6
305.14130	2.0
307.11893	22.6
325.12988	2.0
331.11807	3.3
337.12946	2.4
343.23013	1.3
349.09250	1.3
349.12692	6.9
367.13965	59.3
368.14240	6.3
385.14923	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.3
59.01373	4.5
61.98857	2.0
68.99844	1.7
69.20543	2.9
69.20949	6.6
71.01380	8.1
72.99315	7.8
73.02949	2.1
83.01389	2.8
83.04996	2.1
87.00849	2.0
99.00884	21.0
101.90405	1.8
111.00870	4.5
112.98814	23.9
115.00325	5.5
117.01862	1.8
122.19728	1.7
124.98787	2.3
139.03438	1.6
142.99863	39.0
145.01389	2.9
156.00673	3.5
162.02818	1.8
173.00922	19.9
173.04567	1.9
174.01692	100.0
175.02448	7.8
183.13965	1.8
195.13989	1.9
205.12282	3.3
211.13393	27.3
212.13658	1.9
223.13394	12.7
225.14871	2.3
237.11414	2.4
245.11763	3.2
251.12820	1.6
261.44302	2.1
263.12799	5.6
267.12360	16.2
271.15582	1.6
276.08777	1.8
279.12311	3.5
281.13974	3.1
307.11917	12.6
325.12714	4.7
330.46457	1.8
349.12967	4.7
367.13977	34.4
368.14276	4.9
385.15015	2.7
402.46173	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.3
59.01373	4.5
61.98857	2.0
68.99844	1.7
69.20543	2.9
69.20949	6.6
71.01380	8.1
72.99315	7.8
73.02949	2.1
83.01389	2.8
83.04996	2.1
87.00849	2.0
99.00884	21.0
101.90405	1.8
111.00870	4.5
112.98814	23.9
115.00325	5.5
117.01862	1.8
122.19728	1.7
124.98787	2.3
139.03438	1.6
142.99863	39.0
145.01389	2.9
156.00673	3.5
162.02818	1.8
173.00922	19.9
173.04567	1.9
174.01692	100.0
175.02448	7.8
183.13965	1.8
195.13989	1.9
205.12282	3.3
211.13393	27.3
212.13658	1.9
223.13394	12.7
225.14871	2.3
237.11414	2.4
245.11763	3.2
251.12820	1.6
261.44302	2.1
263.12799	5.6
267.12360	16.2
271.15582	1.6
276.08777	1.8
279.12311	3.5
281.13974	3.1
307.11917	12.6
325.12714	4.7
330.46457	1.8
349.12967	4.7
367.13977	34.4
368.14276	4.9
385.15015	2.7
402.46173	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	99.7
61.98826	53.9
69.51418	60.5
71.01380	35.9
80.49784	12.4
85.02946	99.4
87.03928	10.9
88.10394	11.1
88.62312	12.7
89.02462	16.5
93.03403	14.5
101.02453	21.4
109.80894	12.4
111.16880	11.8
113.02434	16.2
134.03700	12.2
149.02481	20.0
149.55156	13.0
151.03983	18.7
173.04507	13.4
191.05623	28.7
223.06036	21.6
230.85022	14.8
244.90968	11.7
349.15021	26.7
385.11581	29.6
385.16370	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	385.1868
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
50.87367	0.3
55.01878	2.3
57.03444	3.1
58.00591	1.2
59.01378	66.1
60.01713	0.8
61.83661	0.4
68.99812	0.4
69.03464	0.9
69.27763	1.4
71.01380	60.8
72.01723	0.7
72.99316	0.9
73.02946	12.5
75.00870	0.8
81.03473	0.4
83.01384	4.2
83.05022	0.9
84.02185	0.5
85.02951	20.0
86.03269	0.4
87.00882	1.6
89.02442	28.5
90.02773	0.3
91.68003	0.4
95.01387	3.9
95.05042	2.1
96.82775	0.3
97.02942	4.6
99.00882	3.6
101.02443	31.9
102.02821	1.1
105.07104	1.3
107.04974	0.4
107.09478	0.4
108.05854	1.8
109.02965	0.4
109.06607	1.8
111.04528	1.1
113.02452	22.1
113.06083	2.3
114.02824	0.5
119.02650	0.5
119.03504	9.9
121.06569	0.5
122.03691	2.1
123.08169	3.4
125.02446	0.8
125.06081	6.4
129.01950	0.6
131.03506	1.5
133.02968	1.1
135.08167	0.8
136.05302	3.0
137.06079	2.1
138.06868	23.3
139.07686	7.3
143.03546	2.5
147.08112	0.5
149.04567	0.7
149.06100	0.9
150.70447	0.3
151.07646	17.4
152.04803	1.5
152.08434	35.5
153.09213	100.0
153.66693	0.4
154.09547	4.3
158.38866	0.3
159.03001	3.4
161.02542	3.6
161.04547	17.3
161.09715	1.0
162.04906	0.7
163.11276	2.7
164.11659	0.4
165.09184	2.0
167.07121	1.1
175.32814	0.4
179.05638	3.1
179.10777	0.4
187.11273	0.8
189.09207	0.9
190.09908	1.8
191.10345	0.3
205.12323	28.8
206.12682	1.6
223.13394	15.2
224.13763	1.2
346.83249	0.4
385.11487	1.6
385.18661	9.1
386.18921	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	385.1866
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
55.01861	6.6
55.02098	1.4
56.96080	1.3
57.03424	3.8
59.01380	33.8
61.98813	1.3
69.07744	3.1
69.08154	6.2
71.01382	100.0
73.02943	37.2
75.00860	3.0
83.01380	12.1
85.02954	49.4
87.00851	2.2
89.01144	1.5
89.02443	12.7
91.52882	1.3
95.01411	7.2
97.02969	1.8
99.00879	15.4
101.02447	56.6
113.01703	3.0
113.02454	49.4
114.02782	2.3
119.03522	3.0
129.01964	1.8
133.02931	2.2
135.04547	2.8
142.99911	2.1
143.03487	6.0
157.93242	1.7
159.03011	13.9
161.02486	3.4
161.04559	57.1
162.04849	3.1
174.01680	3.3
179.03476	1.7
179.14401	16.9
191.05618	1.6
223.13345	5.8
262.49469	1.7
268.03638	1.4
385.14011	1.5
385.18643	34.6
385.23508	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.223
Annotation	Oleandolide
Peak:m/z	Relative Intensity
59.01373	4.4
61.12658	0.7
61.98826	21.8
66.08488	0.7
69.23479	4.3
71.01365	1.4
83.04934	0.7
89.02449	1.5
91.03999	3.1
98.22662	0.9
99.92590	2.1
110.83161	0.7
121.02928	1.3
122.03680	1.2
122.44601	0.7
125.02406	1.1
135.04529	0.9
141.86775	1.1
151.00356	0.9
167.14384	3.2
191.05583	2.6
193.15991	0.9
207.17465	1.6
210.52901	0.8
211.13400	2.2
223.20686	2.1
247.17085	0.7
249.18562	7.0
267.19629	100.0
268.20013	8.3
275.16544	11.5
276.16724	1.7
293.12296	2.5
293.17569	71.5
294.17819	6.4
311.18649	12.2
312.19016	0.8
367.21320	7.5
385.22275	69.2
386.16550	2.0
386.22562	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	385.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
69.22653	11.8
81.71889	2.1
98.21912	4.9
103.91570	2.2
133.89923	2.1
197.64392	2.5
213.71013	2.7
338.30276	2.2
353.30423	2.1
396.92734	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	386.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26977	0.3
54.95457	0.3
56.31791	0.3
59.01358	0.5
61.98829	100.0
65.86027	0.3
69.03467	0.3
69.65179	1.1
76.10800	0.3
81.27506	0.3
94.42758	0.3
113.08553	0.3
191.05707	0.3
209.11844	0.6
305.17673	0.9
393.98199	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.0
61.98830	100.0
69.03432	1.2
85.69771	1.2
87.00868	1.2
89.02523	1.3
93.03461	1.9
93.71021	1.0
94.44672	0.9
116.62739	1.0
118.53043	1.1
121.33639	1.0
137.02646	1.1
143.07454	1.3
178.32690	1.0
191.05637	8.0
204.93063	1.3
211.13359	2.8
278.22705	1.2
280.59833	3.9
281.09979	1.9
369.13626	1.6
387.17245	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	386.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.4
61.98830	100.0
63.30205	0.7
64.97221	0.6
67.01882	0.8
70.75346	1.2
77.27824	0.8
87.00826	0.8
93.03484	1.2
138.94189	0.8
145.05522	0.8
146.04129	1.3
161.02448	0.8
162.83913	15.7
173.04617	1.1
191.05605	4.9
211.13283	3.5
212.04396	0.8
223.13498	1.0
259.08997	1.0
278.11996	0.8
280.59912	3.5
281.10199	1.3
305.13629	1.4
310.14636	0.9
343.15729	0.7
369.13510	1.1
385.97311	4.7
386.16669	1.6
386.97638	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60189	0.2
61.98831	100.0
69.22563	1.2
71.99422	0.3
84.30791	0.2
85.02991	0.4
93.03461	0.4
96.96037	0.3
111.04463	0.2
127.04059	0.2
131.29565	0.3
134.99173	0.3
173.04509	0.3
191.05626	3.9
207.10335	0.3
225.11293	0.2
278.98370	0.3
305.17688	0.7
313.27600	0.3
319.49219	0.3
386.16669	0.9
387.14758	0.3
389.45093	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93920	0.5
52.40107	0.6
52.44212	0.5
59.01375	0.9
61.09495	0.5
61.98830	100.0
70.21079	0.8
70.21408	1.3
94.63272	0.7
98.22552	0.6
106.37844	0.7
124.37807	0.7
133.77922	0.6
165.79684	0.6
168.49356	0.6
206.14365	0.6
322.04977	0.6
405.11365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86454	0.7
56.99392	0.6
59.01382	3.4
61.98829	100.0
69.69443	2.9
79.95728	5.6
80.96493	3.7
82.02805	0.7
82.03708	0.8
85.02981	1.0
93.03468	1.5
96.96021	3.6
98.22608	0.8
99.92586	3.6
109.06619	1.2
123.48466	0.7
141.93684	0.9
173.04619	1.0
176.01300	1.1
191.05623	8.5
192.05925	1.0
211.13486	2.5
218.62971	0.8
236.12836	0.8
280.59937	1.1
282.79239	0.8
287.16739	0.8
289.18011	5.2
307.19287	1.2
344.53149	0.8
366.69119	0.8
386.10413	1.4
386.16846	2.1
386.22791	1.2
386.67303	1.0
387.14697	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	387.1086
Annotation	Cimiracemate D
Peak:m/z	Relative Intensity
57.22205	2.0
59.01362	5.3
65.18618	2.0
68.22481	2.3
68.99827	3.1
71.01381	4.0
71.47197	2.6
74.43690	2.1
76.58335	2.0
81.44499	2.0
81.74259	1.9
84.78899	2.0
89.02421	2.2
101.02435	6.2
108.02181	5.5
111.00881	2.5
123.04522	4.0
133.02963	9.3
134.03758	15.3
137.02467	4.7
160.05299	2.9
161.02415	12.8
191.20621	2.3
193.03285	4.7
193.05060	100.0
194.05360	4.9
195.36525	2.0
219.06808	2.6
225.11296	10.1
273.03992	2.3
355.09256	2.1
396.94098	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.2
59.01378	74.9
60.95258	1.7
61.98806	2.0
71.01011	3.0
71.01381	43.7
72.99287	2.9
73.02950	3.5
73.19969	1.7
79.18736	1.6
85.02943	7.4
87.00866	2.5
89.02441	62.9
95.01395	4.0
97.94321	1.5
101.02440	19.4
102.98150	1.9
113.02442	20.9
115.15322	1.6
119.03497	26.5
131.03519	3.6
143.03427	3.4
149.04573	2.6
161.04532	3.9
173.37915	1.9
177.73143	1.7
179.05597	24.6
233.75438	1.8
266.16138	1.7
341.10852	100.0
342.11151	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	387.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.1
55.01886	1.2
57.03446	1.6
58.00604	0.8
59.01380	56.5
60.01726	0.8
67.01889	2.6
68.99818	33.2
69.03458	18.0
69.22130	0.4
71.01383	31.2
72.01723	0.4
72.99311	1.9
73.02942	3.5
73.24815	0.5
75.00872	0.7
79.01891	8.9
81.03450	3.4
83.01383	2.0
83.05019	2.5
85.02951	6.3
87.00866	3.7
89.02448	28.6
90.02814	0.5
93.03455	3.8
95.01390	7.1
95.05041	3.9
96.02177	0.8
97.02948	5.5
99.00861	0.6
99.04511	1.1
101.02448	76.9
102.02798	1.6
105.03440	2.3
106.04247	0.7
107.05006	1.0
108.02168	1.1
109.02995	0.5
110.26927	0.4
111.00910	0.6
111.04524	33.8
112.04853	0.8
113.02458	12.8
114.02737	0.6
119.03514	13.1
119.05030	1.4
121.02968	13.8
121.06612	1.7
122.03303	0.5
122.99983	0.6
123.00898	15.7
123.04537	21.8
125.02434	0.6
127.03986	2.1
131.03534	1.3
131.05046	0.6
133.06648	0.9
135.04555	1.7
137.02509	1.1
137.06157	2.0
137.09778	0.5
138.03326	0.5
143.03503	1.7
147.04512	1.5
149.02451	17.6
149.04466	1.0
149.06042	2.9
150.02843	0.9
151.03996	0.9
153.05559	0.9
155.03511	100.0
156.03844	4.0
159.02971	0.6
161.04562	3.8
161.05894	0.8
162.03387	0.4
163.04021	1.6
163.07616	0.6
163.11334	0.9
164.28688	0.4
165.05573	8.5
175.03984	0.9
177.05499	1.1
177.45572	0.4
179.05646	2.1
179.07008	0.5
181.05075	10.4
181.08792	0.4
182.05423	0.5
189.05547	0.9
193.05063	6.8
195.06601	0.5
197.04527	1.9
197.08183	5.2
197.15344	0.4
207.06619	8.9
207.13994	0.6
208.07082	0.5
217.04947	0.5
221.08168	0.7
223.06183	0.8
225.07686	17.0
225.14932	4.2
226.08072	1.3
267.08701	1.0
311.10294	0.6
327.11023	0.5
355.10373	2.3
387.12906	22.0
387.20206	15.2
388.13315	1.9
388.20776	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.1
55.01886	1.2
57.03446	1.6
58.00604	0.8
59.01380	56.5
60.01726	0.8
67.01889	2.6
68.99818	33.2
69.03458	18.0
69.22130	0.4
71.01383	31.2
72.01723	0.4
72.99311	1.9
73.02942	3.5
73.24815	0.5
75.00872	0.7
79.01891	8.9
81.03450	3.4
83.01383	2.0
83.05019	2.5
85.02951	6.3
87.00866	3.7
89.02448	28.6
90.02814	0.5
93.03455	3.8
95.01390	7.1
95.05041	3.9
96.02177	0.8
97.02948	5.5
99.00861	0.6
99.04511	1.1
101.02448	76.9
102.02798	1.6
105.03440	2.3
106.04247	0.7
107.05006	1.0
108.02168	1.1
109.02995	0.5
110.26927	0.4
111.00910	0.6
111.04524	33.8
112.04853	0.8
113.02458	12.8
114.02737	0.6
119.03514	13.1
119.05030	1.4
121.02968	13.8
121.06612	1.7
122.03303	0.5
122.99983	0.6
123.00898	15.7
123.04537	21.8
125.02434	0.6
127.03986	2.1
131.03534	1.3
131.05046	0.6
133.06648	0.9
135.04555	1.7
137.02509	1.1
137.06157	2.0
137.09778	0.5
138.03326	0.5
143.03503	1.7
147.04512	1.5
149.02451	17.6
149.04466	1.0
149.06042	2.9
150.02843	0.9
151.03996	0.9
153.05559	0.9
155.03511	100.0
156.03844	4.0
159.02971	0.6
161.04562	3.8
161.05894	0.8
162.03387	0.4
163.04021	1.6
163.07616	0.6
163.11334	0.9
164.28688	0.4
165.05573	8.5
175.03984	0.9
177.05499	1.1
177.45572	0.4
179.05646	2.1
179.07008	0.5
181.05075	10.4
181.08792	0.4
182.05423	0.5
189.05547	0.9
193.05063	6.8
195.06601	0.5
197.04527	1.9
197.08183	5.2
197.15344	0.4
207.06619	8.9
207.13994	0.6
208.07082	0.5
217.04947	0.5
221.08168	0.7
223.06183	0.8
225.07686	17.0
225.14932	4.2
226.08072	1.3
267.08701	1.0
311.10294	0.6
327.11023	0.5
355.10373	2.3
387.12906	22.0
387.20206	15.2
388.13315	1.9
388.20776	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1483
Annotation	Cetirizine
Peak:m/z	Relative Intensity
53.86104	0.8
57.52987	0.9
59.01375	5.4
61.98828	27.0
69.03439	1.4
69.55464	3.0
71.05011	3.3
79.95737	50.5
80.96516	43.4
83.04996	0.9
93.03463	1.3
95.05018	2.3
96.96011	30.2
98.22655	1.2
98.30936	0.9
101.28780	0.9
109.06606	6.6
111.04508	3.7
111.08150	1.1
123.08141	1.6
127.07637	1.5
133.02980	0.9
145.06624	0.8
167.10832	1.7
179.10762	1.7
191.05556	1.3
195.13872	2.4
211.13425	1.3
237.15067	1.1
245.19128	3.2
259.99203	1.0
263.16708	0.9
269.89230	0.9
271.16907	1.3
287.16568	2.2
289.18109	46.5
290.18344	4.3
305.17447	1.5
307.19156	4.0
309.10291	1.9
346.79077	1.0
387.14810	100.0
388.15173	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	387.1562
Annotation	GS-3
Peak:m/z	Relative Intensity
55.24143	0.3
55.87485	0.4
59.01376	1.4
61.80139	0.4
68.63702	0.3
69.10524	0.8
69.10924	1.3
81.36424	0.3
88.29472	0.3
94.06644	2.1
104.05065	0.4
107.03772	11.0
109.37069	0.3
120.04562	1.4
121.05327	1.1
122.06122	50.8
123.06451	1.4
124.07658	0.6
130.02979	3.6
131.03764	6.9
132.04549	8.7
134.06128	1.8
135.04471	0.5
136.01682	0.5
139.02740	0.9
145.05191	0.4
146.06126	2.9
147.03235	0.9
148.04050	2.0
150.05579	0.6
151.04005	0.4
152.07169	100.0
153.07500	4.5
156.42369	0.3
158.02473	12.6
159.02873	0.6
160.04012	2.4
161.02437	0.6
162.05623	5.7
164.07172	1.0
172.03825	0.4
175.02704	0.5
176.03511	1.8
179.03502	0.4
190.05093	51.6
191.05479	2.7
192.06628	1.1
202.05132	0.4
222.07707	42.7
223.07993	2.1
234.07700	1.6
237.10240	0.4
246.52823	0.3
265.09821	0.5
295.11252	0.3
296.11584	0.5
297.12231	0.8
311.10471	0.4
323.10239	0.5
340.10641	0.7
340.38300	0.3
349.18515	0.4
355.13004	3.7
356.13306	0.5
359.16132	1.4
387.15594	85.9
388.15930	11.2
403.38806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1661
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
59.01382	100.0
60.45616	1.1
65.74838	1.1
68.99828	1.5
69.16679	7.0
71.01380	20.5
83.01378	2.4
85.02958	3.0
89.02448	18.6
95.01372	1.7
101.02447	12.7
113.02457	6.0
119.03513	6.8
151.04068	1.9
155.03479	1.1
161.04503	1.5
163.11276	14.4
166.39391	0.9
179.05664	1.1
181.05054	1.8
207.10309	3.0
225.11206	1.1
360.32138	1.1
387.16602	93.7
388.16895	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	387.1661
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
51.33232	0.8
59.01381	86.0
69.61797	1.3
69.62180	1.6
71.01385	15.6
73.02918	0.9
81.03443	0.7
83.01382	0.9
85.02961	3.6
87.48336	0.8
89.02442	13.9
101.02437	9.2
113.02423	4.8
119.03532	4.2
125.02453	1.3
147.03030	2.2
147.08147	0.9
151.46878	0.7
163.11285	44.1
164.11609	2.7
207.10316	1.5
259.46292	0.7
268.60287	0.7
317.81653	0.9
370.16006	0.8
387.16589	100.0
388.16989	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75729	0.7
55.01879	0.9
55.79913	0.7
59.01381	91.2
60.01725	1.0
69.09644	3.1
69.10063	1.8
71.01382	15.2
72.72606	0.8
72.99310	1.1
73.02949	0.9
83.01392	2.0
85.02921	3.3
89.02446	17.6
95.01394	2.4
101.02444	11.7
113.02464	5.7
116.63645	0.7
119.03503	4.4
147.02998	1.4
147.08182	1.2
160.31850	0.7
163.11290	43.9
164.11639	2.7
339.45346	0.9
387.16602	100.0
388.16983	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	387.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45340	5.4
58.45532	5.2
59.01382	100.0
61.98823	12.4
70.72423	8.9
77.07754	6.2
85.02941	20.1
87.92865	5.6
123.04523	6.6
124.23903	5.7
141.01717	7.2
241.42880	5.8
283.26376	18.4
376.85056	6.9
387.25922	9.3
387.31076	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
60.65889	18.4
68.85740	19.0
76.16809	21.6
76.94038	19.6
79.67020	20.4
108.96556	20.3
130.54236	19.9
135.01172	18.6
155.93768	21.5
203.19933	26.1
241.71431	20.9
245.94284	22.5
321.54022	20.4
396.45959	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67185	0.9
61.98831	100.0
70.10807	1.9
70.11141	1.1
96.96007	2.5
126.51819	0.8
133.02913	1.5
134.03732	1.5
135.04523	1.0
178.02747	1.8
191.05692	1.1
211.13377	1.2
263.73441	1.0
329.94641	1.0
351.94931	0.9
389.16397	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	388.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63295	0.5
61.98830	100.0
65.65388	0.5
70.26913	0.6
70.27235	0.9
109.83047	0.5
127.72742	0.5
148.81390	0.6
163.57307	0.6
192.57333	0.6
261.89841	0.6
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
59.01394	7.0
60.92725	3.5
61.98833	100.0
68.29802	4.2
69.30167	18.6
85.25474	3.3
86.92152	3.2
92.21286	3.2
136.25038	3.3
143.09654	3.2
149.30017	3.3
208.70522	3.3
224.74590	3.5
333.01279	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	388.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10225	1.8
52.89548	1.7
55.30687	1.6
59.01370	3.5
61.85515	2.2
61.98830	100.0
69.69235	7.4
79.95746	4.2
96.95999	12.2
109.16047	1.7
133.02977	2.5
134.03711	4.5
135.04494	4.4
137.02342	2.1
163.15656	1.8
178.02710	5.0
179.03407	3.8
181.44984	2.0
198.58702	2.0
206.47832	1.7
211.13293	2.6
246.60864	1.8
327.16147	2.4
351.28488	2.0
389.16476	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	388.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52652	0.8
55.23837	0.8
61.98830	100.0
69.19691	5.2
76.50768	0.8
96.95998	1.5
96.99430	0.9
149.89420	0.8
151.71855	0.9
217.45142	0.9
388.14761	1.1
389.16632	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11425	1.1
59.01383	1.5
60.46583	1.1
61.60774	1.1
61.98829	100.0
69.41354	3.0
69.41740	1.8
72.41502	1.0
79.95739	9.1
84.42107	1.1
96.96012	12.4
133.02954	4.4
134.03716	4.2
146.69406	1.2
149.44972	1.1
150.31133	1.2
164.83591	7.5
165.78271	1.2
177.01956	2.1
178.02718	5.9
195.71196	1.1
211.13425	2.6
223.13400	1.2
236.69902	1.3
249.92140	1.2
327.15860	2.2
339.39572	1.6
345.17133	1.7
380.06235	1.4
387.97159	3.1
389.16397	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	388.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56333	0.4
61.98830	100.0
69.45129	1.7
71.22256	0.4
110.76468	0.5
247.75026	0.5
286.35962	0.5
307.19247	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	388.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	26.3
61.98821	100.0
69.30456	64.7
75.20414	12.3
109.32504	13.8
113.06152	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	389.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74627	1.2
59.01376	58.7
61.87732	1.2
67.01900	1.7
69.03077	2.3
69.03457	45.1
70.03770	1.4
71.01376	17.8
82.95416	12.7
83.01415	1.8
85.02943	11.0
87.00865	3.7
89.02443	19.8
93.03445	3.9
95.05013	12.2
98.22659	3.1
98.42493	1.2
101.02441	13.7
103.55235	1.3
106.04221	3.1
111.04502	2.1
113.02435	9.9
115.92114	1.2
116.92931	1.4
118.49615	1.2
119.03495	8.4
121.02946	4.1
121.06593	25.1
123.04518	3.2
139.00352	3.2
139.07611	2.1
150.03244	2.9
161.04625	2.8
165.05562	11.5
173.04507	3.7
179.05568	2.8
183.06590	7.0
191.05605	100.0
192.05997	3.6
209.04518	8.8
215.09309	1.9
258.34296	1.7
264.71262	1.4
325.30496	1.3
345.11920	10.0
353.08771	10.3
389.10696	28.1
390.11020	1.3
404.24081	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	389.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74627	1.2
59.01376	58.7
61.87732	1.2
67.01900	1.7
69.03077	2.3
69.03457	45.1
70.03770	1.4
71.01376	17.8
82.95416	12.7
83.01415	1.8
85.02943	11.0
87.00865	3.7
89.02443	19.8
93.03445	3.9
95.05013	12.2
98.22659	3.1
98.42493	1.2
101.02441	13.7
103.55235	1.3
106.04221	3.1
111.04502	2.1
113.02435	9.9
115.92114	1.2
116.92931	1.4
118.49615	1.2
119.03495	8.4
121.02946	4.1
121.06593	25.1
123.04518	3.2
139.00352	3.2
139.07611	2.1
150.03244	2.9
161.04625	2.8
165.05562	11.5
173.04507	3.7
179.05568	2.8
183.06590	7.0
191.05605	100.0
192.05997	3.6
209.04518	8.8
215.09309	1.9
258.34296	1.7
264.71262	1.4
325.30496	1.3
345.11920	10.0
353.08771	10.3
389.10696	28.1
390.11020	1.3
404.24081	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	389.109
Annotation	Epikingisidic acid
Peak:m/z	Relative Intensity
55.01865	1.2
57.85026	1.2
59.01381	99.9
65.03969	1.3
67.01881	2.2
67.77051	1.1
69.03455	100.0
69.16738	5.8
69.17136	1.6
70.03771	1.7
71.01383	27.5
85.02958	7.2
89.01928	2.3
89.02454	33.1
93.07082	2.7
95.01378	2.5
95.05029	24.1
101.02454	16.6
106.04245	6.1
111.00867	1.5
113.02448	14.5
119.03500	17.4
119.04948	1.1
121.02988	6.9
121.06596	42.7
122.06991	1.4
123.04514	4.3
131.03542	1.9
139.00374	6.4
139.03976	1.7
139.07631	5.0
149.04492	1.3
153.60902	1.2
160.52429	1.4
161.04538	2.3
165.05582	20.7
179.05641	3.8
183.06653	12.7
209.04549	11.8
345.07803	2.0
345.11899	22.6
389.10907	52.0
390.11154	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	389.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.2
59.01379	2.7
67.01886	32.3
68.02222	0.5
68.99813	33.5
69.03454	0.5
69.21966	0.6
70.00151	0.5
71.01376	2.0
72.99291	0.2
73.02956	0.3
78.35078	0.1
81.03478	0.3
83.01387	0.3
85.02949	0.5
87.00870	0.3
87.74883	0.2
89.02455	0.9
95.05049	0.2
97.02936	0.4
99.00877	0.3
99.04507	0.7
101.02439	100.0
102.02786	2.1
106.04227	0.2
107.05037	1.4
111.00876	1.0
112.01685	1.6
113.02444	0.5
119.03536	0.2
119.05090	0.2
121.06617	0.7
123.04495	0.4
125.06059	0.4
127.04008	86.0
128.04346	3.1
131.05061	0.2
133.06581	0.4
135.04515	0.3
137.02420	0.3
143.03499	0.9
149.06071	0.8
151.04036	0.3
151.07619	0.3
155.03479	0.3
169.05087	0.1
173.04591	0.2
177.05554	0.7
177.63751	0.1
178.95107	0.2
181.08665	0.2
191.05626	0.4
191.07208	0.2
195.06606	0.5
209.08168	2.1
223.09698	0.5
225.07788	0.1
227.09236	75.6
228.09560	4.8
248.95107	0.2
263.08240	0.2
269.10193	0.3
347.17245	0.2
357.11877	1.1
389.07526	0.3
389.13791	1.3
389.18445	0.5
390.18036	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1816
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03419	0.6
59.01380	4.6
65.57698	0.4
69.34448	1.8
71.01380	4.9
73.02933	1.5
73.41816	0.4
75.99739	0.4
80.02670	1.6
81.03455	1.4
81.04212	0.4
83.01408	0.7
83.05025	6.4
84.02153	1.0
85.02955	2.5
89.02442	2.0
89.40733	0.5
94.68409	0.4
95.05016	1.0
101.02449	5.0
111.08128	0.4
113.02423	1.7
119.03482	0.6
125.06036	0.8
135.08192	0.7
136.01657	1.2
147.11906	0.6
151.04004	2.1
161.04547	0.8
163.11281	5.3
165.12825	3.1
171.29057	0.5
179.05586	0.5
181.12434	0.7
191.10837	1.3
207.03369	0.4
209.11819	100.0
210.12163	5.7
213.20911	0.4
227.12886	33.8
228.13185	2.6
229.08640	1.0
229.14188	0.5
237.07614	0.9
389.18118	26.8
390.18454	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	389.1817
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
50.56960	0.9
55.83448	0.8
56.82582	0.9
59.01381	70.8
60.01724	0.9
69.73501	3.1
69.73843	1.2
71.01385	10.6
73.02939	3.0
83.01393	2.3
85.02938	4.7
87.00854	1.0
89.02423	6.1
99.00858	1.5
101.02435	10.6
113.02444	3.5
119.03488	2.3
120.55776	1.0
161.04526	1.4
166.02679	1.1
191.05624	2.8
216.49893	1.0
217.57156	1.1
227.12822	1.0
371.16620	1.3
389.18164	100.0
390.18484	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	389.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.4
59.01382	33.4
59.44235	3.0
61.98825	21.7
62.45335	2.9
67.01915	3.5
70.69784	4.6
73.61646	2.9
74.68300	3.1
74.68774	2.7
78.91879	4.1
80.02700	3.6
80.96490	3.4
81.03437	5.5
83.01379	12.9
85.00410	3.2
95.00623	2.5
95.05003	4.0
97.02928	6.4
97.06582	7.8
109.06580	3.1
111.92899	4.8
121.06511	3.4
123.04523	7.8
123.08142	4.0
125.09723	14.4
137.09735	5.9
158.40559	2.4
163.11258	16.4
164.02196	2.5
169.18614	2.9
175.07336	8.6
185.11809	10.3
191.14380	11.2
207.10088	8.9
209.11824	61.5
210.12155	2.7
211.13423	2.9
224.30273	3.3
225.11351	4.6
231.09991	100.0
231.12305	4.8
232.10449	6.2
233.06830	2.9
233.11478	6.8
245.19084	24.3
246.19402	3.6
289.18073	71.2
290.18375	5.3
307.19162	44.4
308.19507	6.6
329.17252	13.3
365.48776	3.0
389.19302	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	389.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.8
61.98833	3.8
66.50266	1.1
68.71942	1.0
70.47047	2.1
70.96955	1.1
71.05034	6.4
80.91685	12.7
81.03450	1.8
83.05039	3.3
93.03472	2.8
95.01394	1.9
95.05025	1.7
96.96016	1.2
98.03767	1.2
99.92598	3.8
106.04265	1.3
109.06593	14.7
111.04528	12.0
111.08232	1.0
115.92088	1.1
121.06607	2.7
123.08141	2.7
127.07636	2.9
130.39140	1.1
137.06093	1.2
145.06602	3.8
149.06079	7.7
149.09645	1.3
167.10832	2.8
173.09685	1.0
195.13914	2.4
215.10600	2.1
217.12071	6.3
231.66541	1.1
235.13232	2.6
243.17545	1.2
245.19131	4.4
247.09586	2.3
249.11079	2.3
251.16652	1.4
257.11603	8.1
258.11975	1.0
261.18527	1.5
271.13028	1.5
271.17093	2.0
272.13965	1.4
273.14896	1.3
287.16394	2.0
289.18109	100.0
290.18472	8.9
300.13400	2.7
307.19083	10.0
311.16226	5.9
329.17334	70.6
330.17780	6.3
372.10214	1.2
389.15967	1.4
404.09610	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	9.4
59.01378	50.2
61.98833	5.9
71.01368	7.1
76.65116	2.9
83.05018	4.2
97.06602	21.5
111.08160	6.7
115.58454	2.8
125.09669	4.0
135.08211	3.0
138.77522	2.6
149.09688	2.8
151.11307	18.6
155.10776	4.0
163.11304	3.2
165.12834	23.1
166.13326	3.3
175.01479	15.6
179.10783	4.2
181.12251	28.4
191.10786	15.6
191.14417	5.0
209.11835	92.1
210.12257	4.0
211.13367	6.0
217.08403	5.9
231.09862	3.3
233.11555	11.4
233.13780	3.5
245.19154	15.3
248.10252	13.8
249.11055	3.3
258.08893	2.9
258.35178	3.0
263.20038	5.1
264.09750	3.5
279.19699	4.1
285.18256	6.3
287.97772	2.8
289.18173	24.4
305.17456	4.8
307.19119	43.1
308.19693	7.0
317.17346	5.6
329.17395	17.1
332.16159	20.6
372.22861	11.6
389.19150	20.5
389.23630	5.3
390.23981	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.2
59.01383	42.1
71.01391	7.0
78.91895	1.9
80.02673	5.0
91.05550	3.7
95.05023	8.4
97.06585	10.1
109.02952	2.4
111.08154	4.0
123.04526	6.8
137.02290	2.0
137.09657	2.6
149.09689	6.8
151.07933	2.0
151.11319	6.3
154.17603	2.3
155.10753	2.8
163.11281	7.3
165.09019	2.2
165.12837	11.7
167.10843	4.4
179.10814	3.1
181.12326	26.3
191.10765	8.8
191.14363	2.6
201.08984	3.0
203.10536	7.2
209.11777	55.9
210.12257	4.4
211.13332	3.9
215.18109	2.4
217.08453	28.4
218.06601	2.2
221.11488	2.1
223.13078	3.3
231.09987	16.4
232.10739	3.4
233.11583	100.0
234.12030	3.9
245.19150	7.7
249.11032	6.1
253.10692	3.6
260.10330	5.1
263.12595	3.0
263.20175	2.4
264.09882	2.9
265.67566	2.0
283.16736	10.2
285.18353	40.0
289.18164	11.1
307.19208	15.3
315.15753	2.3
317.17325	15.8
329.17319	43.6
330.17737	4.1
389.19357	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	389.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47147	1.7
57.03448	5.2
59.01382	44.0
64.67379	1.6
65.71547	1.5
80.02679	2.5
81.03442	5.5
83.01383	12.4
83.05023	4.3
95.05020	4.2
97.02938	5.6
97.06601	13.0
106.04274	2.4
109.02929	2.4
109.06622	2.9
109.68735	1.7
110.03799	2.4
110.60286	1.6
118.22251	1.6
119.08649	1.7
120.74960	1.9
121.06635	2.9
121.10231	1.7
123.04517	10.8
123.08163	5.1
123.14429	1.7
125.09734	19.8
135.08157	4.5
137.06065	1.9
137.09732	10.8
141.12859	1.7
149.06125	2.4
149.09698	2.0
163.11304	17.0
165.12878	6.8
175.07420	3.5
177.12772	2.8
181.12366	4.0
185.11858	13.6
191.10753	3.8
191.14430	15.1
193.12398	1.9
197.11893	2.1
207.10265	13.2
209.11829	79.0
210.12199	5.7
211.13420	2.3
225.11343	8.2
231.10014	51.7
232.10359	3.4
233.11491	3.2
245.19069	37.6
246.19579	3.4
247.17348	2.0
263.20230	3.0
271.17081	4.2
285.18427	13.1
289.18097	100.0
290.18381	13.3
291.12042	4.4
307.19144	65.1
308.19406	7.6
317.17285	3.3
329.17325	13.2
375.06216	1.7
389.19455	16.2
390.19601	3.0
408.68369	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	100.0
69.70315	75.3
69.70639	91.0
77.65442	41.0
80.42656	40.9
98.10130	49.6
124.11951	40.8
127.34388	44.5
153.64333	42.7
169.83139	43.6
173.62926	49.6
230.79744	44.6
307.65759	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	389.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21511	46.4
65.61187	49.1
70.46742	100.0
73.54224	47.9
78.88285	44.7
88.77074	50.1
98.21935	55.4
102.43999	42.8
267.64511	52.0
381.10007	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2699
Annotation	3alpha,12alpha-Dihydroxy-5beta-chol-6-enoate
Peak:m/z	Relative Intensity
59.01374	8.5
61.98832	10.3
65.42707	4.2
67.20064	4.5
69.34225	9.6
69.34632	16.7
70.23721	4.4
76.97368	4.0
81.88583	4.6
94.50223	5.2
115.01844	4.3
142.11603	5.3
165.21609	5.2
189.59334	5.2
191.42781	4.9
238.38107	5.4
263.20129	8.5
273.21979	6.7
281.21201	100.0
282.21475	7.9
291.19714	16.9
293.21127	18.2
320.19913	7.9
325.17978	5.0
327.26859	14.6
371.25888	34.8
389.26932	78.7
390.27386	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	389.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89301	2.8
59.01379	100.0
61.98818	4.2
69.62809	11.2
74.21268	2.7
98.21861	5.4
98.22520	6.2
357.76370	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	390.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40105	0.4
61.98829	100.0
67.75294	0.4
70.30434	0.5
70.30758	0.8
71.93604	0.4
79.95763	0.6
94.41363	0.4
96.95991	2.0
116.86626	0.4
144.00629	0.4
237.53157	0.5
328.99173	0.4
335.09421	0.5
380.70319	0.4
390.16998	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	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47267	0.6
61.98832	100.0
69.16361	3.2
69.16756	0.8
71.98696	0.7
110.45007	0.6
119.80210	0.6
124.56715	0.7
137.84180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1239
Annotation	Shermilamine E
Peak:m/z	Relative Intensity
55.01867	1.1
57.03453	1.1
57.99614	1.0
58.00583	1.1
59.01379	100.0
60.01709	1.5
60.24486	0.8
69.03459	3.6
69.14271	6.5
71.01380	40.0
72.01723	1.2
72.21508	1.1
72.99290	1.9
73.02948	2.5
83.01399	2.0
85.02951	9.2
89.02444	39.3
95.01392	2.8
97.06556	1.7
101.02435	26.6
107.05009	1.1
113.02459	16.3
118.84043	1.2
119.03500	17.5
121.06574	2.2
123.04539	1.5
123.05769	0.9
123.08159	33.3
125.06056	1.6
143.03513	1.2
143.07155	1.7
149.04565	1.2
159.31534	1.1
161.04599	1.1
167.07112	3.1
179.05644	2.1
184.36235	1.0
185.08180	2.5
211.06126	7.4
211.09737	2.1
217.10881	1.3
223.24742	1.1
227.13657	1.1
229.42717	1.0
280.33591	1.2
282.04004	1.0
308.07498	1.3
340.61423	1.2
347.13461	53.3
348.13794	3.7
390.28256	1.2
391.12393	82.3
392.12711	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	391.1245
Annotation	Caryoptosidic acid
Peak:m/z	Relative Intensity
55.01880	2.9
59.01380	100.0
61.98821	3.7
63.83424	1.8
68.33114	1.4
69.03458	38.4
70.02830	1.6
71.01008	3.0
71.01384	46.1
72.99296	2.0
73.02949	7.4
78.95892	3.1
81.03466	1.5
83.01381	5.2
85.02956	22.6
87.00886	7.7
89.02452	43.2
89.09406	1.4
93.03462	21.5
95.01378	3.7
95.05017	8.5
95.46127	1.6
97.02953	26.5
98.99369	1.6
99.00904	3.4
101.00936	3.2
101.02446	29.2
111.04506	3.2
113.02451	37.8
115.04000	5.8
119.03493	16.2
119.05024	4.8
121.02958	1.9
122.03790	2.9
123.04528	23.4
125.02399	3.4
125.06097	1.5
134.03770	3.2
135.04529	18.6
137.06079	24.0
141.00417	6.4
141.05569	6.7
143.03510	2.6
149.06091	4.3
153.00496	2.1
161.02458	2.5
161.04591	13.4
167.07133	5.1
168.16911	1.8
171.00676	2.1
174.99231	3.3
179.03484	5.6
179.05588	5.4
181.05080	2.7
185.08194	12.5
188.11774	1.5
191.05670	3.1
201.02644	3.3
211.06122	4.4
216.98528	2.8
217.00291	5.2
229.07169	72.2
230.07549	4.5
259.08206	10.7
271.06516	1.7
301.07645	2.7
331.08908	23.4
331.83133	1.5
332.09003	4.6
332.13385	1.5
391.04639	21.9
391.12393	75.3
392.04681	2.7
392.12717	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	391.1247
Annotation	Shermilamine E
Peak:m/z	Relative Intensity
52.13092	0.9
55.01876	6.8
57.03450	6.2
59.01379	94.2
60.01711	1.9
61.04572	1.0
69.03438	3.0
69.35723	4.9
71.01380	96.1
72.01736	1.3
72.99326	1.7
73.02946	45.0
75.00852	2.8
81.03436	2.2
82.95403	1.1
83.01384	16.5
84.95135	1.0
85.02950	47.5
87.00868	4.0
89.02441	27.8
93.03429	1.2
93.62244	0.9
95.01402	8.1
97.02954	8.7
98.21862	1.9
99.00880	18.9
99.04519	1.8
101.02441	76.9
102.02763	2.0
111.00886	1.6
113.02445	38.3
114.02773	1.4
115.04025	5.0
116.94693	1.0
119.03490	2.6
125.02441	12.3
129.01900	1.2
131.03490	6.1
135.04535	2.6
143.03522	7.5
149.04517	2.3
152.08607	1.0
159.03003	9.2
161.04556	65.1
162.04877	2.4
173.04538	2.8
178.65361	1.1
179.03482	1.6
179.05569	1.1
191.05640	5.5
206.16386	0.9
208.29900	1.0
233.06668	9.7
259.08218	91.7
260.08524	4.9
262.96533	2.3
293.08755	5.8
317.20438	1.0
331.13998	4.8
349.98032	1.0
391.12427	100.0
392.12723	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	391.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74151	0.4
59.01376	100.0
69.03463	1.0
69.09363	0.5
69.49758	2.2
71.01378	19.6
73.02959	0.7
81.46320	0.5
85.02961	3.3
87.00849	1.2
89.02441	32.2
90.02776	0.5
93.18216	0.6
93.78937	0.5
95.01395	1.0
98.21879	0.5
101.02446	9.9
112.43893	0.4
113.02448	8.8
114.02855	0.5
118.93118	0.5
119.03495	10.6
131.03490	0.9
143.03508	2.4
149.04544	1.1
161.04549	3.0
179.05617	6.3
179.06982	0.6
240.34415	0.5
391.16229	1.8
409.44797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.4
59.79113	0.4
61.11803	0.4
61.98840	0.4
69.73484	1.0
71.01382	2.4
73.02917	0.6
75.00895	0.4
78.95913	0.4
85.02969	0.7
89.02423	1.0
93.03481	0.4
96.96015	0.9
99.08154	0.5
101.02451	1.1
113.02495	0.4
115.00365	0.8
123.11804	0.5
133.01425	1.2
135.04462	0.5
167.10773	100.0
168.11111	4.7
191.05551	0.5
209.04597	0.5
211.09735	9.6
213.09378	0.6
229.14505	0.4
231.10245	1.0
275.09271	1.6
391.19342	0.5
391.27405	0.5
393.82397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	28.8
61.98833	2.8
69.65308	3.5
73.09715	1.5
75.00873	21.9
78.95905	4.1
80.08717	1.4
95.05016	6.9
96.96957	5.8
97.93153	7.3
98.21919	2.8
98.93918	4.1
109.06616	2.1
113.92620	2.6
114.93394	12.2
121.10223	27.6
158.99777	1.7
171.10263	58.0
172.10713	3.2
174.99208	4.8
177.61404	1.7
183.13924	4.4
189.97923	2.1
211.13327	1.6
225.04587	1.8
231.21172	5.1
235.17006	2.4
239.02301	2.2
249.18764	1.9
265.04053	3.8
269.07037	11.4
275.20139	97.1
276.20526	10.5
284.02017	1.7
293.21216	100.0
294.21503	11.1
322.10864	1.9
331.16693	2.1
354.09897	5.5
373.12814	2.2
391.17987	73.7
392.18231	7.5
397.87488	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82493	1.5
51.56703	1.7
57.03436	2.8
59.01375	19.3
75.00870	13.9
97.93143	3.4
113.09715	16.4
114.93398	3.5
121.06558	2.2
121.10228	1.8
139.11264	2.6
171.10281	8.1
174.99211	4.6
195.13997	2.4
210.61732	1.7
275.20154	12.0
293.21216	100.0
294.21530	12.7
315.19562	2.1
331.16800	24.0
332.17029	3.3
349.17203	2.0
391.08694	1.6
391.18109	32.4
392.18710	2.8
395.69009	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88958	0.6
55.01874	2.2
57.03439	1.7
58.00583	1.1
59.01379	63.1
60.01688	0.8
60.01989	0.7
61.98801	1.9
70.06992	1.5
70.07328	1.1
71.00960	0.8
71.01380	32.6
73.02944	100.0
74.03265	1.7
83.01389	2.9
85.02948	10.3
87.00879	1.6
89.02444	32.3
90.02826	0.9
95.01401	1.7
97.02957	1.0
99.00909	1.2
101.02440	19.9
102.01678	0.6
113.02461	13.1
119.03499	13.7
135.04442	0.7
143.03506	2.4
149.04538	1.2
161.02513	0.8
161.04605	3.9
179.05557	5.4
191.05649	1.7
211.13393	24.9
212.13788	1.5
317.16028	3.1
391.19724	94.6
392.20023	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	391.21
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.7
61.98830	26.0
69.03455	9.2
71.92075	1.2
79.95753	6.6
80.91676	4.1
82.95420	1.4
93.03452	3.5
95.51678	1.1
96.96021	15.7
99.92579	8.0
115.92108	1.3
121.10239	6.8
123.08117	1.2
125.09727	5.3
173.03864	1.1
184.73827	1.0
185.11826	5.1
193.08458	2.5
197.11772	2.4
197.66112	1.2
207.10043	15.4
211.13396	29.3
212.13750	2.1
217.15945	1.1
218.18089	1.3
233.11594	6.4
245.15257	1.2
245.19075	10.2
247.20813	1.2
261.11057	4.3
261.14731	1.3
267.10825	1.5
287.16376	6.0
289.18188	1.6
291.16440	1.9
291.19638	26.8
292.19949	2.5
293.21017	1.6
311.16318	1.6
313.17850	100.0
314.18250	11.1
326.12228	2.4
331.18115	3.9
339.28183	1.5
391.12845	1.9
391.17691	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	391.21
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29136	1.1
54.14254	1.1
56.19928	1.1
57.58979	1.1
59.01376	17.9
61.51318	1.2
66.73253	1.2
69.86970	2.8
69.87373	2.4
80.91669	1.2
83.42731	1.2
111.08165	16.1
147.11819	4.8
156.37781	1.6
165.12814	4.4
169.12335	4.6
187.10992	1.6
197.11823	66.2
197.13664	3.2
198.12170	2.8
211.13319	3.2
215.10497	7.9
216.86493	1.5
219.10030	2.0
233.11569	100.0
234.11978	6.0
249.13484	1.8
263.20117	2.2
279.46606	1.4
291.19647	10.3
293.12445	3.8
305.05164	2.2
309.20676	43.8
310.21127	5.3
313.17657	2.3
331.18970	7.8
350.96698	1.2
354.77182	1.6
391.20990	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	391.21
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00578	2.0
59.01377	31.7
69.03445	3.0
70.49515	3.5
80.91702	4.2
82.59740	1.9
98.21977	2.2
99.81934	1.8
99.92561	2.8
107.57824	1.9
108.95434	2.0
111.07383	2.2
111.08159	45.2
111.98463	2.2
113.48535	2.0
127.07605	2.8
151.11288	6.4
165.12836	4.1
169.12364	10.8
197.11830	100.0
198.12175	4.2
199.13394	4.7
211.13419	12.8
215.10497	4.3
219.10022	92.9
220.10280	3.5
233.11603	44.5
251.11266	4.4
263.20184	4.5
287.16269	4.2
291.19705	18.1
293.12506	4.7
309.20712	87.3
310.21094	7.9
323.05814	2.4
331.18906	40.9
332.19299	2.7
353.58704	1.9
391.20871	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	391.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.3
58.00610	6.0
58.33652	2.7
59.01382	42.3
59.98534	8.2
69.03447	4.5
69.80374	2.8
69.95556	5.9
71.01389	5.5
71.05022	6.1
74.46991	3.0
93.03471	4.3
98.22562	3.4
99.00629	4.2
99.04543	6.5
99.92542	3.0
113.06118	3.5
113.99358	3.8
119.08694	6.7
121.10232	11.3
125.09729	6.7
127.07653	4.1
129.98882	2.9
137.09740	10.4
139.17104	3.0
140.00928	7.9
147.08138	6.9
168.36076	3.0
171.10225	5.4
181.04857	4.9
185.11859	6.2
191.06938	3.2
193.08441	18.1
197.11887	4.8
207.10020	25.1
211.13553	3.8
219.09999	4.4
227.17935	4.0
229.19574	3.4
245.19099	8.5
273.14667	6.5
275.20166	4.2
285.14819	8.1
291.19727	25.4
292.19922	3.8
293.15378	3.9
295.16763	10.8
297.18344	100.0
298.18680	8.5
311.16220	3.5
313.17859	60.3
314.18451	5.6
329.17343	21.6
331.18668	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	391.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	100.0
61.98799	39.5
71.22173	54.0
88.04453	33.0
95.63382	32.0
102.01736	34.7
253.81888	37.4
255.23586	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36811	53.8
59.01376	100.0
70.60895	65.2
81.95544	63.1
93.45543	65.4
98.21942	59.2
98.22488	89.0
118.96456	53.3
159.88312	56.3
216.44522	56.1
255.23315	83.0
327.07083	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.229
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33773	0.8
61.98831	100.0
67.74955	0.9
70.52448	1.2
83.37106	0.7
98.22583	0.9
118.11958	0.9
245.10999	0.8
297.03522	0.9
392.08704	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	392.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29335	0.6
56.24799	0.7
59.01384	0.8
61.98830	100.0
63.99248	0.8
69.28143	3.5
100.17859	0.7
121.02976	1.7
135.04585	1.2
168.86740	0.8
179.03650	0.8
197.18051	0.7
258.01349	1.1
329.23483	1.6
392.05069	3.6
392.24619	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54935	0.7
59.01364	1.7
60.56347	0.6
61.98831	13.1
67.82494	0.6
69.36782	3.4
83.77041	0.7
83.93137	0.8
84.93870	7.5
93.58739	0.6
98.21808	0.9
99.00880	1.1
99.92586	69.2
100.92616	3.7
100.93358	25.4
100.94048	1.3
101.06198	0.6
101.93340	0.9
115.51019	0.7
115.92078	30.7
115.92905	1.5
116.92860	100.0
117.92883	5.9
121.10242	1.8
121.65243	0.6
135.08168	1.0
156.92305	0.9
171.10298	1.2
230.99745	0.8
275.20267	4.2
293.21216	2.7
306.05640	1.0
328.07901	0.7
339.10400	0.8
349.14954	1.1
357.11469	1.8
371.09509	2.7
375.12686	24.1
376.12988	3.9
389.10492	2.4
393.13751	30.0
393.18057	1.1
394.14035	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	393.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73286	0.6
59.01374	4.8
61.98830	11.2
69.69067	2.5
71.01377	1.8
72.99287	1.5
83.14536	0.7
83.93079	1.8
84.93861	5.0
89.02429	1.9
95.19022	0.6
99.00874	2.4
99.92586	99.2
100.92615	5.0
100.93354	35.1
101.93370	1.3
103.52888	0.9
115.00367	2.4
115.92079	42.1
116.92862	100.0
117.92869	5.0
131.19128	0.6
134.15007	0.8
142.91833	0.8
221.67465	0.9
230.99811	0.9
244.05618	0.9
260.05219	1.1
262.06656	1.8
275.20062	4.0
278.06161	1.4
293.21350	3.6
294.21579	1.0
303.23322	4.9
304.33868	0.8
306.05600	4.2
307.06192	2.1
311.40448	0.8
321.68173	0.8
324.06720	1.1
357.11499	4.0
357.20731	1.0
371.09515	2.9
375.12686	36.4
376.12991	5.3
389.10815	4.7
393.13797	26.8
393.22717	2.2
394.09409	0.9
394.13882	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	393.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02861	0.6
55.61316	0.8
55.90688	0.7
57.03433	3.6
59.01378	100.0
60.01676	1.1
61.98828	15.6
69.25446	0.9
69.46118	2.0
69.46507	1.4
71.01378	11.9
71.04995	1.3
72.99312	1.2
73.02917	0.9
79.05514	1.3
82.95411	1.2
83.01393	0.8
85.02953	7.2
87.00874	1.1
89.01924	1.3
89.02443	13.1
95.01373	1.9
95.05019	7.9
96.95979	1.3
96.96951	1.4
97.06578	1.3
98.99358	1.0
101.02448	11.0
104.31879	0.7
107.05025	1.7
109.06618	5.2
111.04512	1.7
112.98507	0.8
113.02444	8.7
119.03497	12.1
121.03012	0.8
123.04532	1.1
123.08113	0.8
125.06079	12.3
126.06380	1.0
127.07672	3.8
135.04576	1.2
136.93964	0.8
139.07649	1.8
141.00464	0.8
146.99748	2.9
150.05551	0.8
151.07658	2.8
153.05591	4.0
161.01358	1.0
161.04562	3.4
163.07831	1.0
165.05542	1.3
167.07109	6.7
169.08696	2.2
171.06635	67.0
172.06990	3.5
174.99222	2.0
179.05597	5.8
181.08768	1.7
183.06665	1.2
189.00827	1.3
191.05609	1.1
195.06546	1.7
213.04471	0.9
213.07690	20.4
214.08075	1.2
217.00235	1.1
225.07654	3.4
243.08723	1.7
243.52840	0.9
271.99020	0.9
273.08176	0.8
273.09909	1.0
303.82050	0.8
331.45685	0.8
333.08392	1.2
333.11728	2.7
333.15314	1.1
352.76361	0.8
375.12985	1.0
393.09448	1.1
393.14099	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	393.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09858	0.5
55.01878	1.6
56.64241	0.5
57.03445	1.3
58.00591	1.3
59.01379	100.0
60.01723	0.9
68.47052	0.4
69.03461	0.7
69.23987	0.9
69.24387	1.5
69.79108	0.4
71.01382	60.3
71.11442	0.4
72.01745	0.9
72.99312	1.6
73.02945	14.2
75.00871	0.9
81.03439	0.7
83.01384	3.9
85.02955	10.2
87.00881	3.6
89.02446	90.9
90.02773	1.3
95.01392	3.1
97.02966	1.7
99.00881	11.2
101.02444	36.7
102.02762	1.1
105.01929	0.5
111.00919	0.8
113.02454	20.4
115.04039	1.1
119.03502	22.2
120.03826	0.6
125.02456	3.0
130.27585	0.4
131.02521	0.6
131.03506	13.1
143.03506	4.6
149.04555	32.3
150.04916	0.9
161.04579	4.7
165.04082	0.9
179.05617	11.1
185.61809	0.4
186.89003	0.5
191.05612	8.3
221.06744	0.9
233.06656	1.9
251.07684	1.6
261.13403	12.8
262.13794	0.9
293.08780	0.8
311.09784	0.8
315.00409	0.5
393.17670	46.9
394.17990	4.3
412.66730	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
59.01379	100.0
60.01706	1.0
61.98824	4.3
70.96639	0.7
71.01385	7.2
73.02950	1.8
78.23785	0.5
83.01374	0.6
83.31096	0.4
85.02973	2.1
85.48501	0.4
87.00874	0.5
89.02431	5.0
97.02998	0.7
99.00935	0.8
101.02440	5.0
113.02463	2.8
119.03519	2.2
137.06145	0.6
161.04541	5.6
171.10283	0.6
179.05698	1.5
180.04184	0.4
234.93814	0.5
260.38724	0.6
333.15521	10.9
334.15833	1.1
393.18002	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17702	0.9
52.38157	0.7
52.97802	0.8
55.01873	1.2
57.03439	1.5
58.00589	1.3
59.01376	100.0
60.01708	1.8
61.98820	1.3
69.33823	4.8
71.01376	62.4
72.99286	1.1
73.02946	11.4
75.00850	2.7
83.01399	3.1
85.02950	11.4
87.00844	1.8
89.02441	94.7
90.02802	0.9
95.01385	3.1
97.02946	1.7
99.00880	6.8
101.02441	32.5
113.02445	18.7
115.03954	1.1
119.03493	20.1
124.59034	0.9
125.02444	2.5
129.31897	0.9
131.03490	15.1
135.04524	1.0
143.03508	4.5
149.04541	33.5
159.28793	0.9
161.04535	5.0
161.53802	0.9
179.05585	13.3
191.05569	7.8
192.06067	1.2
194.10504	0.8
237.06142	1.1
251.07869	1.6
261.13516	5.4
393.17462	13.5
394.18094	1.3
409.95340	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62178	2.8
59.01381	11.5
61.36347	2.6
61.98830	41.4
64.74680	3.1
69.03449	9.5
71.01395	2.9
71.46204	5.4
83.05001	4.2
84.02171	3.4
95.05031	4.7
118.10105	3.7
122.03729	4.4
125.09675	4.0
133.02986	3.6
135.04527	11.0
147.04501	5.8
151.23479	3.2
161.02435	6.2
163.11264	4.7
171.10287	6.7
172.05341	4.2
174.71587	4.0
175.04001	23.0
176.04794	79.6
179.03467	6.9
191.05640	4.0
193.12337	6.9
211.13409	18.7
216.96519	3.2
217.12195	5.1
225.14915	5.3
230.82169	3.1
243.16031	9.5
257.15442	3.5
268.03702	3.5
269.04510	12.6
270.04453	3.0
273.99017	3.0
275.09216	8.6
283.13394	44.5
297.97299	3.8
301.14407	82.4
302.14798	6.5
319.15445	29.6
320.15915	3.3
331.11987	9.6
357.22806	100.0
358.23529	6.8
392.60422	3.2
393.19351	41.0
394.19479	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	393.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62178	2.8
59.01381	11.5
61.36347	2.6
61.98830	41.4
64.74680	3.1
69.03449	9.5
71.01395	2.9
71.46204	5.4
83.05001	4.2
84.02171	3.4
95.05031	4.7
118.10105	3.7
122.03729	4.4
125.09675	4.0
133.02986	3.6
135.04527	11.0
147.04501	5.8
151.23479	3.2
161.02435	6.2
163.11264	4.7
171.10287	6.7
172.05341	4.2
174.71587	4.0
175.04001	23.0
176.04794	79.6
179.03467	6.9
191.05640	4.0
193.12337	6.9
211.13409	18.7
216.96519	3.2
217.12195	5.1
225.14915	5.3
230.82169	3.1
243.16031	9.5
257.15442	3.5
268.03702	3.5
269.04510	12.6
270.04453	3.0
273.99017	3.0
275.09216	8.6
283.13394	44.5
297.97299	3.8
301.14407	82.4
302.14798	6.5
319.15445	29.6
320.15915	3.3
331.11987	9.6
357.22806	100.0
358.23529	6.8
392.60422	3.2
393.19351	41.0
394.19479	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	393.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23919	0.5
57.43772	0.6
59.01383	6.9
65.23715	0.5
67.53239	0.6
72.99287	0.5
75.00871	12.1
78.95971	2.0
81.12943	0.5
93.03504	0.6
95.05024	6.1
96.96083	0.7
96.96943	2.9
97.06665	0.5
97.92616	0.6
97.93200	2.3
98.21868	1.1
113.09693	2.8
113.92663	1.5
114.93420	2.8
133.47807	0.5
152.99649	0.7
174.99268	3.7
177.12875	0.6
179.14514	1.0
195.13908	13.9
196.14238	0.9
210.78162	0.5
210.80260	0.6
265.03903	2.9
270.00577	1.3
277.21701	13.1
278.22125	0.7
279.05429	1.3
284.02182	1.3
295.22772	100.0
296.23117	8.5
311.11740	2.7
319.63675	0.7
321.10034	0.7
333.18292	2.1
354.09848	6.2
355.17233	0.7
375.14883	0.7
389.12759	0.6
393.15598	1.9
393.19519	22.6
393.26968	0.9
394.19998	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	393.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32944	0.5
56.83066	0.4
59.01377	100.0
60.01712	1.1
65.46578	0.6
71.01378	5.2
73.02951	1.9
83.01393	0.7
85.02973	2.1
87.00882	0.8
89.02454	5.6
95.01405	0.5
96.95516	0.5
99.00850	0.6
101.02433	4.6
113.02445	2.6
119.03522	3.1
137.55136	0.5
143.03525	0.9
159.03004	0.5
161.02432	0.8
161.04564	2.4
179.05640	1.7
191.05630	0.5
235.00485	0.5
275.08594	0.6
333.19186	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	393.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54371	0.4
53.56295	0.4
59.01381	100.0
60.01722	1.1
61.85682	0.3
67.15894	0.3
69.03445	0.3
69.12033	1.8
70.43361	0.3
71.01388	5.0
73.02943	1.4
83.01408	0.4
85.02960	1.9
87.00907	0.4
89.02441	5.2
95.01427	0.5
99.00869	0.5
101.02457	3.7
113.02461	2.3
119.03494	2.4
131.03490	0.4
135.04604	0.6
135.23206	0.3
143.03571	0.5
149.04549	0.4
152.89461	0.3
161.04546	2.3
179.03575	0.5
179.05676	1.8
191.05751	0.5
248.88972	0.4
264.12216	0.3
288.90546	0.3
296.51828	0.3
331.12143	0.4
333.19183	6.6
333.23019	0.4
334.19720	0.6
366.65289	0.4
393.21201	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	6.2
59.01380	32.9
61.98823	21.5
72.98699	5.9
73.78932	5.5
84.02184	8.7
95.46453	5.6
99.92590	6.7
100.29202	6.1
113.09743	13.7
129.09241	12.7
134.24216	6.1
147.11900	6.4
159.29840	6.7
165.12732	5.6
180.18924	6.6
181.12341	7.8
186.48190	5.8
197.11821	10.8
199.13481	6.7
211.13409	21.8
215.10568	10.7
219.10004	40.1
233.11540	95.3
255.63184	7.4
265.14468	16.9
293.12375	6.3
293.21173	18.0
311.22293	100.0
315.19443	12.4
329.57669	6.4
333.20486	16.3
393.22427	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	393.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	22.9
59.29525	1.4
61.98840	2.0
63.48431	1.5
70.52313	2.3
74.90476	1.5
78.89044	1.4
80.91692	2.0
88.38432	1.3
97.06662	1.7
99.08167	1.6
99.92603	3.3
113.09750	2.3
129.09201	3.8
139.11264	3.9
147.11778	3.0
147.71727	1.4
152.03252	1.3
154.10358	1.4
165.12845	4.6
169.12305	2.7
171.10291	4.1
181.12402	3.2
193.08459	5.4
193.12321	3.1
197.11803	9.5
199.13432	3.9
211.13406	13.3
215.10506	8.3
233.11578	95.1
234.11929	5.7
268.95047	1.5
293.12366	4.2
293.21219	17.1
311.22281	100.0
312.22672	11.7
315.19333	2.2
333.20587	8.2
393.22632	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36806	1.2
56.94751	1.1
57.03436	3.1
57.47191	1.2
59.01377	25.5
61.98820	1.5
69.03438	1.2
69.51019	4.8
70.76311	1.2
71.23917	1.1
80.91704	1.9
84.75233	1.3
98.22636	2.5
98.99159	1.4
99.08169	1.9
99.92574	6.9
103.01484	6.0
109.06512	1.4
113.09731	6.5
118.51436	1.3
125.09742	1.6
128.04294	1.5
129.09227	4.5
139.11258	7.2
147.11842	1.7
151.11301	2.0
155.10692	2.0
158.17062	1.4
158.78749	1.3
165.12846	4.1
165.35072	1.2
169.12320	2.7
171.10255	16.9
179.10565	1.4
181.12329	3.9
183.13882	1.8
185.11914	2.2
193.08412	3.3
193.12323	2.6
197.11848	6.9
199.13321	3.2
201.11319	2.6
207.10040	9.6
211.13397	13.5
215.10446	5.1
219.10017	16.9
233.09286	2.6
233.11580	32.0
247.13901	1.3
247.20641	1.8
249.13524	1.7
251.11212	2.4
293.12265	1.8
293.21161	11.5
311.22266	100.0
312.22665	9.1
315.19461	13.0
333.20477	35.6
334.20761	5.1
376.13416	1.7
377.19449	3.7
393.22119	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	393.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52502	3.1
57.03455	7.3
59.01376	33.9
61.98826	6.3
69.39540	3.5
70.44691	6.0
70.45036	3.3
78.95909	10.9
80.91695	6.3
87.25294	3.3
93.03441	5.2
99.92585	16.5
100.93400	3.7
113.09721	26.7
116.92875	11.0
121.06617	7.4
152.99554	17.2
165.12860	9.6
177.12799	4.5
179.10707	7.5
195.13885	10.9
203.10451	4.2
205.12256	6.8
207.10062	4.2
215.10410	6.4
217.12135	5.4
219.10016	31.3
223.13382	47.8
229.19559	5.5
233.11620	43.5
245.11543	9.5
247.20616	6.5
272.13855	4.9
277.21606	11.6
293.21207	40.6
294.21283	5.3
297.18243	11.1
299.19888	52.7
305.13696	8.8
313.17902	4.9
315.19409	100.0
316.19705	12.8
331.18866	24.6
333.20496	17.7
393.13828	5.8
399.88226	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	393.2282
Annotation	Melissoidesin P
Peak:m/z	Relative Intensity
55.01862	3.3
59.01378	100.0
61.98826	25.9
65.18285	2.4
68.99815	3.3
69.50849	9.9
71.01385	23.4
72.99310	42.9
75.00875	5.8
77.79260	2.8
83.01394	6.3
83.05020	3.4
84.93863	3.0
87.00864	4.9
88.37032	2.3
89.02439	21.1
98.00081	2.8
99.00881	68.0
99.92585	34.4
100.93362	8.7
107.19802	2.8
113.99595	8.3
115.00381	66.9
115.92065	10.0
116.01170	3.4
116.92078	3.7
116.92855	35.0
117.01945	12.7
135.65378	2.7
231.21207	3.5
269.19162	3.5
275.20151	89.6
276.20535	7.0
277.21634	12.4
287.20215	5.1
293.21136	9.0
303.23282	79.3
304.23672	8.0
313.18069	4.6
313.21420	5.6
313.89957	3.1
329.21143	5.9
331.19052	14.7
331.22678	6.7
332.19315	3.5
333.20511	8.4
335.22366	3.9
357.20706	8.7
375.12625	11.3
375.21790	23.6
376.22076	3.6
389.45868	3.3
393.13831	9.7
393.22827	54.0
394.22922	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	393.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27631	2.7
59.01382	18.3
61.98826	100.0
64.98804	2.7
69.98835	4.2
69.99141	4.1
78.95950	2.7
79.05516	2.8
83.01363	6.4
83.05022	4.0
97.06578	4.9
98.22517	5.3
99.92593	13.1
106.04256	6.3
110.98051	2.8
111.08189	5.2
114.73618	2.8
121.02970	6.9
125.09686	3.5
127.07625	4.0
139.11270	7.6
159.11795	34.7
161.09875	3.2
163.88921	2.9
171.10260	85.3
172.10626	7.0
175.11264	7.0
191.10718	4.7
193.08429	7.7
201.11276	4.0
203.10785	79.1
204.10986	4.3
221.15425	16.4
233.15482	14.6
241.04836	3.1
247.13319	7.7
265.14395	15.7
277.14465	34.5
278.14609	3.1
289.21664	5.3
293.21136	4.0
295.12491	3.7
303.23236	3.5
311.22354	23.4
313.18134	4.0
313.21588	22.4
314.22031	3.8
317.17700	3.0
331.22723	13.2
333.20477	5.9
357.20547	11.0
367.15613	3.1
375.21744	47.5
376.21973	6.8
393.22595	9.5
394.18655	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
60.79956	34.5
70.03691	100.0
84.50923	34.1
98.22565	56.4
234.60847	37.2
322.27353	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36304	0.3
61.00814	0.3
61.98831	100.0
163.43512	0.3
197.11838	1.4
199.13411	0.3
294.20743	0.3
296.09708	0.4
305.14661	0.3
309.20758	0.9
310.21033	0.5
394.18457	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	394.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
61.98831	100.0
69.34644	2.2
78.95908	12.4
80.70609	0.5
84.00890	0.6
99.92628	0.9
102.27091	0.6
127.29069	0.5
197.11874	1.8
278.14877	1.5
309.20697	1.4
312.22644	2.3
334.20789	0.8
374.71048	0.5
376.22064	1.4
394.18417	3.9
394.23584	3.3
395.18900	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47520	100.0
98.22574	51.0
102.78906	21.4
201.73320	23.7
224.84387	23.0
356.04297	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42899	26.0
56.60427	27.3
57.68125	25.6
69.21036	100.0
69.21462	69.3
98.21880	70.6
102.26215	29.8
120.04527	30.9
207.94994	31.2
228.48413	27.9
263.26886	28.9
357.07657	29.1
412.50595	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39808	3.8
57.03438	4.6
59.01382	100.0
61.98830	33.7
71.01386	59.7
71.05022	4.8
71.15015	4.5
71.67112	3.5
72.99306	4.9
73.02938	13.7
83.01379	6.3
85.02967	19.6
87.00861	4.3
89.02439	50.5
93.03468	6.0
95.89027	4.8
99.00885	9.9
101.02444	43.7
101.06130	5.5
109.02930	5.8
113.02457	22.4
119.03473	10.5
123.04489	6.0
123.77399	4.1
125.02435	6.9
135.04514	17.8
137.02435	46.5
149.04572	9.1
149.06056	4.3
151.59540	4.4
159.04440	3.9
161.04539	16.6
173.08101	6.5
179.05554	5.2
185.67644	4.5
191.05573	19.1
193.19560	4.1
197.04515	11.6
213.83871	3.8
217.00229	6.2
222.65887	4.7
239.05681	6.5
244.01721	4.2
263.11267	13.0
264.22110	4.2
328.46237	4.4
335.13492	10.4
359.09824	33.5
395.10922	6.6
395.15509	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.4
61.98829	27.6
63.55127	1.3
69.09205	4.8
69.09612	2.4
72.99296	2.9
84.93871	4.7
99.00887	1.4
99.92582	58.5
100.92643	3.0
100.93358	30.4
101.93353	1.9
109.11155	1.2
115.00378	4.1
115.92079	45.6
116.58275	1.6
116.92859	100.0
117.92894	4.0
195.13847	2.1
276.19434	1.5
277.21915	1.6
295.22711	14.2
296.22992	3.0
297.23367	3.1
305.24863	10.2
320.07162	4.8
333.20596	2.4
345.24219	9.5
359.12933	3.1
373.11301	6.9
374.11639	2.4
377.14267	37.1
377.26947	5.8
378.14426	5.7
391.12247	12.5
392.12375	2.3
395.15314	31.3
395.28378	7.2
396.15720	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	395.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.4
56.42670	0.8
57.03444	3.2
58.00597	1.3
59.01379	80.6
60.01716	0.9
61.98831	4.7
69.03450	2.7
69.55275	3.1
71.01382	100.0
71.05021	6.8
72.01738	1.4
72.99297	1.2
73.02947	35.6
73.03362	1.8
73.06588	1.9
74.03262	1.0
75.00851	2.7
81.03445	2.2
83.01380	8.0
83.05026	6.0
85.02953	31.9
87.00879	4.3
89.02445	86.6
90.02776	1.4
95.01379	5.4
97.02938	6.8
98.21938	1.7
99.00877	27.5
99.04501	1.6
101.02443	58.0
101.06077	18.0
102.02776	2.1
111.00915	0.8
113.02448	33.1
115.03968	3.7
119.03506	8.9
123.04491	0.9
124.48638	0.8
125.02445	13.8
129.01981	1.6
131.03511	14.7
135.04594	0.8
137.02466	1.1
143.03497	4.2
149.04558	37.7
159.02969	5.9
161.04555	37.5
162.04863	1.1
173.04527	0.8
173.83646	0.8
176.54054	0.7
179.05649	2.8
183.43849	0.8
189.05629	0.8
191.05629	11.4
213.34683	0.8
221.06543	1.6
233.06653	12.6
251.07681	2.4
254.47214	0.9
263.11356	25.0
264.11722	1.2
284.41495	0.9
293.08813	9.2
335.13321	2.4
359.09995	4.7
377.14597	1.0
394.16885	0.9
395.15573	81.5
396.15866	8.8
399.34033	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.2
57.03436	3.5
57.05996	0.9
59.01379	86.3
60.01697	1.4
60.32745	0.7
61.98825	1.9
63.49018	0.8
69.03441	3.1
69.17310	0.8
69.43812	1.4
69.44224	2.5
71.01382	100.0
71.05016	9.5
72.01705	1.8
72.99311	1.9
73.02946	39.1
73.06567	1.5
75.00871	2.2
81.03456	2.4
83.01391	8.8
83.05023	5.6
85.02451	1.6
85.02951	29.3
87.00877	3.7
89.02443	85.2
90.02782	1.4
95.01397	5.3
97.02969	5.8
99.00880	27.5
99.01524	1.7
99.04518	1.2
101.02441	65.7
101.06083	19.6
102.02768	1.7
106.21384	0.9
113.02448	33.0
113.06091	1.1
114.02801	1.5
115.04037	4.3
119.03486	7.8
125.02444	11.2
129.01945	1.7
131.03499	12.2
143.03459	4.5
149.04556	41.1
159.02957	4.7
161.04555	29.9
179.05582	2.9
191.05592	10.6
196.05017	0.8
202.29510	0.8
221.06664	2.3
233.06670	11.5
245.10133	1.1
251.07787	2.2
263.11359	22.0
264.11652	1.5
293.08807	9.3
353.32852	0.9
359.10077	2.0
359.73975	0.9
377.14374	1.1
395.15570	76.0
396.15906	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	395.192
Annotation	Creoside IV
Peak:m/z	Relative Intensity
55.01876	5.7
57.03450	4.1
58.00597	0.7
59.01379	40.9
61.98826	1.0
69.03451	1.2
69.28077	1.4
71.01380	46.5
72.01703	0.8
72.99294	1.4
73.02946	30.0
74.03300	0.6
75.00865	1.5
75.01266	0.4
81.03436	0.6
83.01386	13.7
83.01882	0.7
85.02948	29.2
86.00097	1.3
86.03251	0.4
87.00864	2.9
89.01927	0.7
89.02447	9.8
92.35034	0.4
95.01398	3.2
97.02947	2.4
98.21867	0.7
99.00882	9.4
99.08153	0.9
101.02444	59.6
101.09697	0.8
102.02769	0.9
111.00899	1.3
113.02449	21.3
114.02735	0.6
115.04030	1.1
119.03493	0.6
125.02410	2.7
129.01959	1.3
131.03496	2.6
143.03534	2.1
149.04570	1.3
159.03001	3.7
161.04547	17.8
162.04913	0.5
171.10284	0.5
174.65338	0.4
188.08150	0.4
191.05670	0.5
233.06754	2.0
263.14984	100.0
264.15344	7.2
293.08630	0.7
395.19205	69.3
396.19565	7.5
409.72266	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03226	0.6
57.03446	1.1
57.50509	0.6
59.01377	100.0
60.01709	0.9
61.47860	0.5
61.98829	5.7
62.06499	0.5
67.27892	0.5
69.03450	0.6
70.44037	1.0
71.01379	15.5
73.02945	5.8
83.01394	1.5
84.15549	0.6
85.02945	5.8
87.00869	0.6
89.02441	8.6
93.03483	0.7
95.01415	1.2
97.02972	1.2
99.00890	2.9
101.02442	12.9
109.02977	1.4
113.02449	6.1
118.68195	0.5
119.03509	3.7
122.03770	1.3
123.04533	2.0
125.02442	0.8
129.33324	0.5
131.03548	1.1
137.02437	7.5
143.03534	1.0
149.02463	1.3
149.04590	1.0
150.03267	1.8
151.04008	8.7
159.03026	1.7
161.04556	8.7
173.02359	0.9
173.08228	0.5
179.05650	1.3
179.07158	0.8
191.05663	0.6
197.04649	0.8
203.54501	0.5
233.06717	0.9
263.11365	4.3
298.07904	0.6
299.09335	1.0
317.16092	2.2
320.38358	0.5
335.17078	21.0
336.17337	1.3
359.09695	0.8
395.15475	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	395.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96562	0.8
55.01870	1.8
57.32310	0.7
59.01379	100.0
60.01707	0.9
61.98810	2.4
62.75652	0.7
63.02946	0.7
67.74312	0.8
68.31400	0.8
71.01382	20.1
71.47205	1.0
72.99294	0.9
73.02961	4.9
75.04895	0.7
80.42613	0.8
83.01374	2.2
85.02953	8.0
87.00868	1.1
88.98795	5.4
89.02451	12.7
99.00900	1.6
100.58816	0.9
101.02446	17.8
101.04303	3.8
111.00871	1.0
113.02458	9.0
117.99223	0.8
119.03515	6.8
133.02974	0.9
135.04633	0.8
143.03513	1.9
149.04541	1.1
159.02989	1.8
161.02499	1.4
161.04544	11.3
169.09990	0.8
173.11639	0.9
179.05624	1.9
262.96622	0.8
275.49088	0.8
288.72888	0.9
317.16040	8.5
318.16440	1.2
335.17105	42.1
336.17407	3.1
380.52872	0.7
395.10104	1.2
395.18463	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	395.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68326	0.2
55.01878	5.6
57.03447	4.1
58.00595	0.6
59.01377	39.6
60.01702	0.6
61.98825	1.4
68.27907	0.2
68.99825	0.3
69.03454	1.2
69.08393	0.8
69.08815	0.5
71.01380	49.1
72.01718	0.6
72.99314	1.4
73.02946	30.1
74.03288	0.5
75.00877	1.5
78.95897	0.2
81.03455	0.5
83.01386	13.1
84.01690	0.4
85.02950	27.9
86.00094	1.6
86.03292	0.7
87.00871	2.9
89.02445	8.8
95.01389	3.7
97.02958	2.6
99.00880	9.9
99.08182	1.0
101.02443	58.8
101.09718	0.9
102.02782	1.3
108.76009	0.2
111.00884	1.8
113.02447	20.3
114.02782	0.5
115.04004	1.4
119.03522	0.6
125.02463	3.0
129.01927	0.9
131.03506	2.4
135.04524	0.3
140.08342	0.2
141.01982	0.4
143.03506	1.9
143.10641	0.2
149.04538	1.3
159.02977	3.7
161.04556	17.7
162.04900	0.5
171.10262	0.8
173.04408	0.3
191.05583	0.9
219.16553	0.2
233.06636	1.8
263.14981	100.0
264.15314	6.7
264.18185	0.4
293.08688	0.9
294.09244	0.2
307.14160	0.2
320.80505	0.2
395.19186	71.8
396.19595	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	395.2438
Annotation	3-[8-[(Acetyloxy)methyl]-13-hydroxy-4-(hydroxymethyl)-12-methyl-11-tridecenyl]-2(5H)-furanone
Peak:m/z	Relative Intensity
55.79329	2.3
59.01384	19.2
61.98821	2.9
63.50320	2.9
65.93157	2.9
70.47815	6.7
71.01376	7.0
72.99311	67.0
83.01379	9.9
83.77657	2.5
87.00868	4.5
96.95966	2.5
99.00883	13.1
99.47383	3.0
99.92564	3.2
102.74449	2.7
113.99588	6.6
115.00359	58.6
116.01160	3.6
116.92840	5.0
180.74696	3.1
192.11516	3.0
243.44792	3.1
261.18594	4.4
275.79059	2.5
277.21741	5.5
279.16220	3.1
279.23264	11.8
289.21683	3.5
295.22797	11.5
305.24866	100.0
306.25143	12.2
307.22754	5.4
315.23221	3.7
333.20657	21.4
333.24384	15.4
334.24591	3.1
335.22247	6.8
345.24350	22.5
346.24747	5.7
359.22266	6.5
363.25314	6.5
377.23236	31.8
377.27158	14.7
395.23950	68.2
395.28174	17.2
396.24377	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	395.259
Annotation	Neurymenolide B
Peak:m/z	Relative Intensity
57.03168	1.6
57.03447	28.1
69.55337	3.6
88.06481	0.9
91.07633	0.8
98.21858	1.7
98.22506	2.2
98.28448	1.0
123.02403	1.0
139.63487	0.8
163.11282	100.0
164.11639	5.6
165.00833	0.8
167.94606	0.8
177.52525	0.9
213.53271	0.9
219.13872	37.0
220.14230	2.8
221.78363	0.8
229.12419	0.9
246.04805	0.8
313.27823	1.2
337.21796	3.0
378.75604	1.0
384.47873	0.9
395.25861	95.9
396.26242	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	395.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
61.98831	13.2
85.06586	2.0
99.69714	0.5
100.92603	0.8
116.92872	0.7
181.12328	0.5
205.43623	0.5
233.19102	1.5
259.17017	1.6
262.48456	0.6
277.18027	2.3
308.11176	1.1
309.20718	31.1
310.21057	3.2
313.52371	0.5
345.24332	4.1
346.24481	0.7
363.25360	1.7
377.26956	2.1
390.84894	0.5
393.26636	0.6
395.27997	100.0
396.28336	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	395.28
Annotation	12,20-Dihydroxy-19-acetoxy-14-methylenegeranylnerol
Peak:m/z	Relative Intensity
55.01883	2.0
59.01366	0.6
61.98831	10.7
69.66518	1.6
81.05797	0.5
81.07083	3.0
99.92570	1.2
100.92587	0.9
106.04285	0.6
119.05006	0.6
120.05798	1.7
121.06610	0.6
135.11812	2.3
151.11330	0.6
155.14369	0.7
163.11288	28.1
164.11621	1.4
165.09079	0.5
172.01840	0.4
179.10860	0.4
181.12360	2.1
199.13391	38.6
200.13786	2.1
207.10236	1.2
293.21289	0.9
308.11343	0.5
309.20529	0.5
342.87454	0.4
345.24323	7.1
346.24628	0.8
363.25391	1.8
377.26981	3.5
380.83093	0.4
395.28006	100.0
396.28366	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	396.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83379	0.5
55.23040	0.4
59.00898	0.5
69.39663	1.3
69.40079	0.7
76.97431	0.4
83.30445	0.4
83.93092	0.7
85.48789	0.4
96.96020	1.3
98.48795	0.4
99.92589	52.2
100.92590	2.7
100.93358	3.8
103.91302	0.9
115.92069	5.5
116.92856	6.9
118.89981	100.0
119.89984	4.4
119.90771	5.3
134.89476	4.1
135.90257	16.1
136.90335	0.8
138.58940	0.4
141.93631	1.3
150.88972	0.9
161.91817	0.6
183.20300	0.5
212.01483	0.4
360.13956	11.5
361.14319	2.3
366.70508	0.5
396.11636	44.7
397.11819	5.9
397.22549	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	396.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.5
61.98830	100.0
69.31567	2.6
77.91144	0.5
83.77085	0.4
113.09567	0.5
122.60052	0.5
296.09732	0.7
311.22427	1.9
312.22516	0.7
358.82187	0.5
396.20059	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	396.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
65.44459	1.3
69.11980	1.5
70.00146	3.3
70.00507	3.6
70.72591	1.5
96.96006	3.8
97.93109	2.2
98.22568	2.3
99.85724	1.5
99.92583	54.7
100.92626	3.6
100.93333	3.2
103.24593	1.6
110.60087	1.3
115.92075	6.4
116.92870	7.8
118.89981	100.0
119.89993	5.9
119.90742	3.6
122.05400	1.3
134.89474	5.9
135.90237	14.9
260.96005	1.5
273.06265	1.9
311.16949	2.8
339.19821	2.3
341.01984	1.6
345.24530	2.0
346.24609	4.9
346.50275	1.5
347.55103	1.9
360.13940	10.9
364.25613	4.8
396.11646	42.7
397.11945	5.6
397.22610	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	396.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34664	44.5
58.82757	44.6
59.01392	54.4
70.95750	68.6
91.73162	45.4
96.96032	75.4
112.07703	45.2
310.06784	45.7
338.68719	54.0
397.22656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37991	2.1
55.01874	4.7
57.03434	4.6
59.01380	54.3
59.61144	1.6
60.74505	1.5
61.98818	3.0
63.72266	1.4
69.03452	3.9
70.79644	2.0
71.01384	76.5
73.02947	30.1
75.00871	3.5
83.01392	10.1
85.02953	31.8
87.00877	2.5
88.38295	1.6
89.02444	31.6
95.01388	6.8
97.02938	4.6
99.00885	16.0
101.02448	68.1
102.02734	2.0
103.07618	1.6
113.02459	27.3
115.03992	3.1
119.03526	4.5
125.02454	7.7
131.03505	4.5
143.03473	5.0
149.04575	11.3
159.02994	6.7
161.04564	30.0
177.01901	1.9
191.05676	4.4
206.08667	2.0
233.06667	5.3
235.11992	3.8
252.90657	1.7
265.12927	62.7
266.13342	3.9
278.34064	1.6
306.35391	1.9
359.09637	2.8
378.59476	1.9
397.12616	11.8
397.17160	100.0
398.17392	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	397.127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37991	2.1
55.01874	4.7
57.03434	4.6
59.01380	54.3
59.61144	1.6
60.74505	1.5
61.98818	3.0
63.72266	1.4
69.03452	3.9
70.79644	2.0
71.01384	76.5
73.02947	30.1
75.00871	3.5
83.01392	10.1
85.02953	31.8
87.00877	2.5
88.38295	1.6
89.02444	31.6
95.01388	6.8
97.02938	4.6
99.00885	16.0
101.02448	68.1
102.02734	2.0
103.07618	1.6
113.02459	27.3
115.03992	3.1
119.03526	4.5
125.02454	7.7
131.03505	4.5
143.03473	5.0
149.04575	11.3
159.02994	6.7
161.04564	30.0
177.01901	1.9
191.05676	4.4
206.08667	2.0
233.06667	5.3
235.11992	3.8
252.90657	1.7
265.12927	62.7
266.13342	3.9
278.34064	1.6
306.35391	1.9
359.09637	2.8
378.59476	1.9
397.12616	11.8
397.17160	100.0
398.17392	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	397.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	9.9
59.01380	100.0
61.98827	12.2
62.29136	5.9
69.83851	13.9
69.84177	12.6
71.01385	22.9
73.02921	10.1
85.02943	12.0
89.02398	16.3
98.21918	12.2
101.02438	24.1
113.02441	8.3
161.02376	8.3
161.04514	10.1
191.05550	13.1
242.49438	7.8
265.84427	6.4
337.18445	21.1
361.14932	9.9
365.57556	7.1
397.12616	62.1
397.17218	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	398.132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83503	0.6
60.19242	0.5
61.98822	0.8
70.97501	0.7
95.29939	0.5
96.96025	0.7
97.93137	1.0
99.92583	78.2
100.92683	3.6
100.93361	3.4
103.91256	0.8
113.44035	0.5
115.92072	9.6
116.92058	1.0
116.92854	10.5
117.92851	0.8
118.89975	100.0
119.89977	4.5
119.90762	6.2
134.89476	6.3
135.90244	23.2
135.91307	0.7
136.90271	0.9
141.93591	1.1
147.96274	0.5
150.88959	1.4
169.96695	0.5
210.44019	0.5
264.99371	0.7
318.16281	0.8
340.20261	0.8
362.15518	10.6
363.15820	1.7
379.41006	0.5
398.13193	54.6
399.13446	7.4
415.87814	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49255	13.8
63.28928	12.9
64.62502	14.4
67.22125	15.9
69.52834	62.5
89.53660	16.3
90.42164	15.0
95.83881	13.5
96.96047	20.5
98.22650	30.9
99.92591	76.8
114.09637	14.3
116.92878	16.1
118.90025	100.0
135.90187	18.4
165.05669	14.8
190.34201	14.0
194.72975	13.9
398.13138	68.6
398.22888	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.9
61.98819	1.3
66.39138	0.4
67.03071	0.4
69.38496	1.6
71.01363	0.6
85.02950	0.6
89.03999	0.7
91.01883	0.5
98.21884	0.9
99.00822	0.5
109.02988	0.8
113.63188	0.4
133.02937	1.6
176.32425	0.5
177.01924	100.0
178.02278	4.9
191.05630	0.7
193.04893	0.5
219.02946	0.5
232.59256	0.5
268.03760	0.4
283.14703	0.5
399.13495	1.1
400.17117	0.5
414.60788	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.6
58.05915	1.5
59.01373	25.4
61.98835	2.2
71.01382	21.6
71.27382	2.0
72.92599	1.4
73.02949	17.7
83.01405	3.9
85.02956	14.4
89.02451	6.7
90.21379	1.4
92.41278	1.4
99.00874	5.8
101.02449	32.4
102.02738	1.3
105.13779	1.5
113.02448	11.0
113.92553	1.6
117.00459	4.5
125.02444	1.8
129.01831	2.2
131.01994	11.2
145.03525	1.7
147.84454	1.6
148.62804	1.3
159.01474	3.1
159.02965	1.8
161.04559	10.5
179.31792	1.4
191.95578	1.5
207.08733	50.3
208.09038	2.2
222.10394	1.6
231.02016	3.0
246.23701	1.9
257.01486	2.1
273.03156	5.1
287.04825	7.6
323.03796	1.7
339.12952	100.0
340.13306	4.2
371.03183	3.4
399.09866	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	399.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.3
61.59522	1.0
61.98823	5.0
65.29629	0.9
69.03442	1.2
69.18562	3.8
69.87019	0.9
71.01386	0.8
78.95901	3.1
82.01728	1.6
83.02467	1.0
84.00913	2.1
84.04504	1.3
84.08165	2.0
85.04063	1.8
87.05640	46.9
89.02425	1.8
91.05531	2.6
93.03497	1.1
95.02489	2.9
97.00422	1.6
98.22624	1.4
101.07207	1.7
102.05616	1.1
111.01995	3.5
111.05650	3.4
113.03576	33.7
115.05139	1.8
116.05068	31.9
117.03355	0.9
117.05378	1.0
118.06623	4.2
123.05609	1.8
125.02479	1.3
125.03552	2.6
125.07194	2.9
127.05135	15.1
128.05014	5.5
130.08737	8.2
131.07053	1.3
131.10461	1.0
133.02925	1.5
135.04510	4.8
136.34532	0.9
137.02513	1.1
138.07977	1.2
140.04631	1.3
140.07240	0.9
140.08301	2.0
141.06706	33.0
151.00302	1.0
151.05147	1.0
152.99564	6.7
157.07698	4.5
158.06152	1.9
161.02406	4.3
161.07185	2.7
167.04662	1.3
169.13487	4.3
172.06392	8.3
173.04582	2.3
173.07199	2.8
175.08798	1.1
177.02022	0.9
179.03525	3.0
180.08998	0.9
185.07259	1.8
186.05544	1.3
187.05103	1.1
187.08743	1.7
189.06721	2.8
191.05556	1.0
198.08107	1.1
199.08691	1.2
200.05896	1.8
201.06683	27.4
201.08646	1.7
202.07152	1.8
203.08238	5.4
212.09564	2.0
214.09923	1.0
229.13449	59.3
230.13771	4.9
232.10898	100.0
233.11189	5.4
240.07768	7.0
241.13493	3.0
253.08496	1.6
253.13464	1.4
255.15004	8.3
256.09531	0.9
256.15009	1.3
257.13031	7.6
268.10864	3.6
270.12567	1.9
271.10898	2.8
285.13580	1.3
296.14020	1.5
297.89896	1.0
298.14273	5.2
308.14944	1.0
314.11575	1.8
324.17346	1.0
325.16602	1.2
331.11856	2.7
340.19556	1.1
355.21362	38.0
356.22012	4.4
363.14340	1.5
363.18347	2.0
381.09961	4.3
381.19318	26.2
382.19431	2.6
390.37173	0.9
399.20343	31.1
400.20618	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	400.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	34.7
69.03476	9.6
70.03159	21.7
71.01383	27.3
81.03470	38.6
89.02435	27.0
93.24953	10.7
94.61213	8.1
119.03496	9.6
125.02440	100.0
126.00426	9.4
159.90181	7.5
161.02437	25.8
162.02766	15.3
179.05672	10.8
195.06612	18.0
248.84602	7.9
249.19209	8.3
357.11801	11.3
357.94244	8.9
400.13202	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50780	2.4
60.40672	2.8
65.82925	2.8
66.79136	2.3
69.85696	6.1
85.22162	2.4
96.13066	2.6
99.92589	56.7
115.92091	7.7
116.92865	8.6
118.89973	49.7
119.89981	3.1
134.89481	6.4
135.90256	18.2
155.34438	2.6
238.59706	2.9
253.10442	3.0
364.17053	16.6
400.14752	100.0
401.14990	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	400.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56559	25.7
69.33485	100.0
83.51315	24.1
198.27110	23.3
268.56531	25.6
409.54224	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	401.109
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85595	2.3
59.01378	69.3
61.98824	7.8
62.39844	2.5
68.99821	3.1
69.70747	7.3
71.01381	34.4
72.99306	3.3
73.02952	7.0
83.01382	2.6
84.61089	2.5
85.02954	9.7
86.98472	2.2
87.00874	64.9
89.02441	45.8
95.01393	2.2
101.02435	22.1
113.02484	15.6
119.03529	14.8
123.00866	6.7
131.03542	4.3
146.03793	4.3
149.02397	3.1
161.02477	5.5
161.04671	5.1
163.04022	21.8
164.04793	17.0
165.05591	4.4
166.02739	8.6
166.28624	2.1
173.02359	4.0
175.04076	2.7
176.04814	11.6
177.01904	5.6
177.05457	3.8
178.06352	18.6
179.03508	10.2
179.05608	16.8
179.07138	36.9
180.07558	2.5
181.05048	11.0
191.03484	21.4
191.07118	8.7
192.04169	4.3
193.05022	9.1
193.08742	3.2
194.05800	9.0
198.03616	2.2
203.03490	8.8
205.05064	9.0
206.05922	12.0
207.06549	2.8
209.08218	8.7
218.05829	6.1
219.03030	4.8
220.03726	3.3
221.04637	3.0
221.08174	9.5
222.05365	3.7
234.05396	3.9
235.06155	3.3
236.06970	2.5
237.07719	2.5
247.02386	7.7
247.05885	3.2
249.07619	7.5
251.09236	4.7
262.04797	12.2
265.07184	63.4
266.07416	4.5
277.07166	32.8
278.07410	3.3
295.08231	68.1
296.08597	6.2
341.10873	72.3
342.11185	4.2
355.10324	23.7
374.76733	2.7
383.09796	8.5
401.10870	100.0
402.11246	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	401.1093
Annotation	Apodanthoside
Peak:m/z	Relative Intensity
56.02164	1.6
57.03453	2.6
58.00572	2.4
59.01381	86.2
59.51223	2.3
61.98832	52.1
67.01855	2.1
68.99798	2.2
69.03458	20.4
70.57208	1.8
70.84528	1.9
71.01382	39.4
71.43816	2.0
72.99299	3.0
73.02931	4.0
81.03457	39.9
82.03783	2.3
85.02970	10.0
87.00861	5.3
89.01910	3.6
89.02442	37.3
93.03423	2.1
95.01382	4.3
95.05040	10.0
97.02961	6.7
99.00872	4.8
101.02450	24.9
105.07088	4.4
107.01352	2.9
107.05044	4.3
109.03021	3.8
113.02443	12.0
115.05473	2.3
119.03532	11.9
121.02956	2.1
123.04543	5.5
125.02452	100.0
126.02773	3.9
128.46213	1.8
131.03473	2.7
131.04987	3.6
133.02956	2.9
133.06590	21.1
135.04536	23.3
146.03735	2.3
147.04471	2.6
149.02437	1.8
149.06075	7.2
151.03966	2.4
151.07628	5.2
159.04497	5.1
161.02467	4.8
161.04518	4.5
165.05466	2.1
167.07086	2.8
169.01439	25.0
177.01999	13.6
177.05586	27.6
178.05960	2.3
179.03505	26.6
179.05569	6.5
179.07158	8.2
189.05577	2.7
191.05621	9.4
195.06607	19.2
201.00800	9.8
221.04567	33.0
233.04518	4.5
239.05602	13.0
244.72890	1.8
265.03955	4.1
295.08246	2.5
320.02927	2.0
341.10867	27.5
357.11932	36.5
358.12067	2.6
401.10931	37.9
401.15820	5.5
402.15906	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	401.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15581	1.8
59.01380	59.5
59.13018	1.9
61.40592	1.9
61.52789	1.9
69.66566	6.2
69.66908	2.1
71.01380	38.6
71.95395	1.7
85.02950	5.5
89.02441	52.6
89.72188	2.0
95.01356	2.8
101.02455	19.3
113.02457	14.1
117.34987	1.9
119.03503	17.9
131.03516	3.4
143.03496	5.1
161.04529	5.8
177.45161	1.9
179.05637	26.0
185.60768	2.2
191.05595	2.5
243.87521	2.3
278.04874	2.1
341.10873	100.0
342.11145	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	401.1451
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.42050	1.0
55.01873	11.3
57.03449	7.1
58.00592	2.1
59.01380	61.5
67.46626	1.0
69.03458	3.7
71.01383	100.0
71.16655	1.3
71.34930	1.1
72.99310	2.1
73.02946	48.6
75.00884	3.0
81.03452	1.6
83.01385	18.2
84.02151	1.0
85.02953	50.8
86.03314	1.2
87.00858	5.3
89.02440	17.9
95.01378	7.0
97.02963	5.8
99.00877	16.2
101.02445	87.0
111.00908	1.4
113.02457	42.9
115.04002	5.0
125.02451	8.1
129.01976	2.1
131.03513	3.6
137.00034	0.9
143.03514	5.4
149.04631	1.3
159.02988	9.0
161.04564	50.7
162.04897	1.3
191.05583	1.5
233.06635	5.3
269.10303	79.1
270.10580	6.5
293.08646	2.5
305.83795	1.1
311.11697	1.3
401.14505	78.3
402.14893	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	401.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01719	0.9
61.98827	2.3
64.71391	0.6
69.31061	2.9
71.01382	3.4
72.99344	0.6
74.02487	0.7
85.02965	1.7
87.00896	1.2
89.02439	3.8
98.21891	1.2
101.02468	2.6
111.16994	0.7
113.02470	1.4
113.27569	0.6
119.03540	1.3
134.03769	0.7
135.04533	1.7
140.80432	0.5
145.03021	0.7
146.03754	18.2
147.04338	0.6
150.03281	1.6
161.04817	0.8
161.06126	5.3
164.04813	14.1
165.05583	2.3
171.87233	0.6
179.07143	56.6
180.07553	1.9
191.05652	2.2
310.76334	0.6
341.10690	3.4
341.68994	0.8
401.11130	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	401.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64530	0.7
59.01381	100.0
59.24695	0.7
60.01724	1.0
60.44569	0.8
69.31179	3.4
71.01362	0.7
89.02425	0.8
98.21790	1.2
101.02448	0.9
101.12810	0.7
102.21013	0.7
110.80203	0.6
116.85329	0.6
145.02991	0.6
146.03741	20.9
147.04123	0.9
161.06116	7.6
161.97958	0.7
164.04802	15.4
165.05312	0.6
179.07138	59.6
180.07526	2.9
311.90775	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45027	6.4
57.82186	6.3
59.01390	9.5
61.98811	6.6
64.70633	5.2
69.64539	10.6
69.64934	13.7
80.66087	6.3
85.00436	17.7
87.00878	14.8
94.70951	6.8
95.64401	5.4
98.21880	5.3
98.27767	5.2
121.02934	33.0
125.09715	11.4
162.83937	8.6
176.24280	5.4
186.36267	5.7
187.14854	11.9
231.13899	25.1
264.91690	5.3
269.69919	5.6
401.09097	22.6
401.23273	100.0
402.23471	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	401.2331
Annotation	Macrolactin F
Peak:m/z	Relative Intensity
58.32780	0.7
59.01382	4.4
59.38462	0.7
61.98821	1.5
62.90001	0.7
65.03967	7.3
71.01379	0.8
74.81815	0.7
89.02495	0.9
91.05529	3.6
97.06595	1.9
105.07098	1.8
115.05500	1.1
119.08672	1.4
121.02972	2.9
123.08131	1.0
125.09722	12.7
133.10231	2.0
145.10352	0.8
159.11787	1.3
173.95294	0.8
185.09706	0.9
187.14932	18.5
188.15308	1.2
213.12920	1.7
231.13905	31.1
232.14194	2.4
235.13318	1.1
254.15247	0.8
286.97952	0.8
301.02942	1.4
302.02548	0.8
313.06946	1.0
339.23349	1.7
357.24240	1.9
383.22198	5.1
384.22711	0.9
401.23318	100.0
402.23672	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	401.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26096	14.6
57.43894	13.9
80.44246	19.7
84.80554	17.3
96.37437	19.3
165.58293	17.2
207.31607	20.5
283.11731	16.0
333.39929	17.5
365.27057	100.0
366.27170	23.9
367.05872	19.2
408.86688	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	402.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.5
61.98828	100.0
67.10480	0.4
70.89649	0.7
71.01382	1.3
75.69489	0.4
76.00435	0.3
85.02940	0.6
87.00890	0.7
89.02433	1.8
101.02470	0.8
104.99683	0.4
105.67861	0.3
110.52472	0.3
118.78004	0.4
119.03497	0.5
179.05679	0.8
191.05623	2.8
200.59692	0.4
216.97983	0.4
234.99292	0.5
236.77048	0.3
266.07559	0.5
269.10034	0.3
276.30704	0.4
342.11194	2.6
361.85794	0.4
402.11276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37297	0.4
61.95018	0.3
61.98828	100.0
62.88974	0.4
69.57941	1.6
121.02950	3.6
122.03329	1.6
125.09747	0.8
127.04026	0.5
151.00354	0.6
191.05646	1.3
209.11995	0.4
215.97499	0.4
269.04657	0.8
282.65613	0.4
297.11304	0.4
303.16022	1.2
314.07510	0.6
314.72583	0.4
321.17169	1.1
329.23187	0.6
402.08966	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96129	0.4
52.35174	0.4
56.85616	0.5
59.01361	0.7
61.98830	100.0
78.93498	0.5
85.02947	0.5
92.42564	0.5
93.03471	1.9
93.44799	0.4
97.06614	0.8
101.82097	0.5
111.08151	0.8
117.03479	5.2
121.02944	0.6
122.24975	0.4
125.09704	1.0
133.03058	0.6
135.04591	0.9
139.04056	0.4
139.81195	0.4
154.04259	0.5
159.04486	2.3
161.02470	0.7
171.04559	0.7
173.04651	0.5
173.06087	1.5
173.08218	0.7
191.05690	0.8
197.06078	10.1
199.04102	2.0
203.03516	0.9
209.06224	0.4
215.12914	1.6
223.03958	0.8
241.05055	19.2
265.05115	3.1
267.03009	0.6
283.06149	5.4
285.15170	0.7
303.16061	1.8
306.07327	0.5
309.03934	2.8
321.17114	0.8
403.08243	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	403.0825
Annotation	2'-Methoxyisodiospyrin
Peak:m/z	Relative Intensity
59.01378	4.5
61.98830	41.3
70.97759	1.2
71.01387	2.5
80.09722	1.0
92.83640	1.0
93.03442	8.5
97.06599	1.5
99.57874	1.2
116.92896	2.8
117.03470	22.9
125.09791	1.9
129.49936	1.0
133.02975	2.4
135.04523	3.5
143.05035	2.0
147.04446	1.7
154.04221	2.1
159.04536	11.7
159.06689	1.2
161.02437	5.8
167.03125	1.0
171.04530	2.9
173.04573	3.8
173.06097	5.3
179.03474	1.6
182.03755	1.7
195.04506	1.8
197.06062	49.6
198.06506	3.0
199.03995	8.3
203.03540	3.4
209.06142	2.2
223.03990	3.5
236.43257	1.3
239.07074	1.6
241.05058	83.4
242.05437	6.6
263.44821	1.4
265.05051	16.1
267.02948	6.7
278.61185	1.2
283.06119	23.5
284.06454	2.0
306.07217	1.3
307.34076	1.1
309.04053	12.3
335.07742	1.6
403.08228	100.0
404.08530	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	403.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	86.5
64.26251	2.3
67.01891	6.2
68.99821	11.7
69.03455	26.8
69.35903	10.1
71.01386	48.1
85.02948	9.2
89.02441	57.0
92.26713	3.0
93.03522	2.2
95.01397	4.4
95.05029	36.8
101.02441	34.1
111.00878	23.6
113.02452	20.1
119.03516	23.1
121.02958	100.0
121.06626	4.0
122.03262	3.0
123.04528	25.0
127.04011	9.8
137.06082	3.8
139.00392	19.3
144.57692	2.7
147.04501	3.3
149.02473	2.8
161.04515	4.1
165.05559	23.6
179.05627	10.8
179.07150	4.5
181.05124	4.5
187.87392	2.6
191.03435	2.7
223.06075	12.7
324.22928	2.4
335.35107	2.7
344.68057	2.4
353.87576	2.8
371.09747	25.9
372.10471	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	403.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79818	1.2
59.01378	79.2
61.25822	1.3
67.05521	1.5
69.03434	1.3
71.01383	38.2
78.83263	1.4
80.53536	1.3
83.01398	1.7
85.02951	8.7
87.00856	3.4
89.02445	49.6
95.01382	3.0
98.21784	2.6
99.04525	5.9
101.02444	21.0
113.02459	15.5
119.03506	18.9
121.02977	2.7
124.05323	2.8
131.03499	3.0
133.10304	1.3
135.11807	5.1
143.03513	3.2
149.04529	1.8
161.04523	3.2
161.09756	2.7
164.79907	1.6
177.14214	1.5
179.05606	8.7
179.10779	37.0
180.11081	2.2
191.05707	1.7
218.12869	1.3
223.09753	100.0
224.10120	6.8
241.05112	2.5
381.15225	1.6
403.15259	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1762
Annotation	Cochliomycin A
Peak:m/z	Relative Intensity
59.01363	1.6
61.98831	6.8
69.80762	1.6
75.25334	0.5
80.37270	0.5
81.03443	0.8
81.19193	0.5
83.05013	1.0
85.45492	0.5
93.03442	2.6
95.04984	0.5
106.04173	0.7
108.02150	2.8
109.02953	14.2
121.02921	3.1
122.03749	3.8
123.04517	0.7
129.15704	0.6
133.02948	2.4
134.03720	2.0
135.04523	1.6
137.02487	0.8
146.03725	2.2
147.04549	1.2
157.93581	0.5
158.03717	1.5
159.04506	3.2
160.01735	1.4
161.02448	3.1
161.06128	0.8
161.13368	3.2
162.14952	0.6
163.03978	0.8
172.05273	5.3
173.06041	2.3
174.03209	3.6
174.06868	0.9
175.03992	2.0
176.04745	0.5
177.12854	1.8
185.06053	3.5
186.06770	1.3
187.04010	8.7
187.07617	5.1
187.11317	1.0
191.05542	0.6
192.04228	2.1
197.06084	2.8
198.06813	1.9
199.04007	1.0
199.07635	1.3
200.04736	4.6
200.08438	1.4
201.05548	2.4
201.09111	0.7
202.02635	2.7
202.06229	0.5
203.03352	0.6
203.10789	0.6
205.12321	22.0
206.12659	1.1
211.07683	2.2
212.04749	0.7
213.05551	2.1
213.09074	0.8
214.06348	0.6
215.07158	5.9
217.05023	1.9
221.11751	1.7
224.04730	0.8
227.07057	0.8
229.12300	0.7
231.02901	2.0
231.10243	1.0
232.03709	0.6
237.14993	0.8
245.04504	1.0
245.08261	0.7
249.11348	5.8
261.11209	0.6
266.11621	0.6
281.13776	3.9
283.16776	0.6
297.15149	3.1
299.16425	0.7
309.14926	4.0
315.15936	1.4
325.14410	4.1
326.15082	1.7
327.15994	1.9
343.15363	2.1
344.16330	5.4
345.16638	0.7
353.13989	3.6
359.18539	1.6
371.15088	6.8
372.15201	0.8
375.17798	0.7
385.16547	9.4
386.17041	1.2
388.15405	1.3
403.17551	100.0
404.17926	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	403.1974
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
51.93591	1.2
55.01879	2.1
57.03444	3.6
59.01381	100.0
61.98845	1.1
64.39767	1.1
67.01917	1.2
68.99802	1.7
69.03460	5.4
71.01383	58.5
73.02944	7.0
83.01392	3.1
85.02956	14.7
87.00902	1.9
89.02444	56.7
95.01401	4.2
95.05018	6.2
96.93465	1.1
97.02937	1.6
97.95226	1.2
99.00851	2.6
101.02445	40.7
102.96408	1.0
111.00884	3.6
113.02456	24.3
119.03506	24.1
121.02959	16.2
123.04541	4.1
127.11393	1.2
131.03535	2.6
133.10271	1.6
135.04518	1.3
137.06157	1.4
139.00389	2.8
143.03511	3.5
147.08165	1.4
149.04539	1.8
159.03018	2.2
161.02464	1.6
161.04515	12.7
161.09702	5.2
163.11311	1.9
165.05605	4.9
171.50983	1.1
177.12875	1.2
179.05661	8.5
179.10860	2.7
223.06171	2.9
223.10127	7.6
223.13393	71.1
224.13791	4.8
225.14973	1.7
229.14580	1.4
241.14409	12.8
327.09790	2.3
359.20819	1.9
371.09555	6.9
403.19739	73.8
404.20123	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	403.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	27.3
61.98837	98.8
66.95470	14.2
69.48500	40.5
69.48839	21.8
70.52296	15.4
87.00889	91.0
95.94508	14.5
134.69688	17.8
141.71892	16.4
143.65318	14.3
162.01488	15.0
337.36063	13.9
367.13626	47.7
403.25140	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	403.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57541	3.2
59.01372	2.9
60.64759	2.8
61.98833	25.7
68.75121	2.8
71.38210	3.1
79.95763	2.9
96.95998	3.1
105.03448	5.5
111.29480	2.9
133.02956	43.0
135.04591	4.3
149.02449	3.4
150.76630	2.7
152.99565	3.0
161.02426	8.6
162.83946	5.1
164.04910	4.3
164.83623	10.2
177.01936	12.2
179.03477	3.8
183.75504	2.9
192.04285	100.0
193.04826	5.3
211.13387	6.0
239.26756	3.0
271.22882	5.3
385.16397	3.5
403.17908	5.5
406.39130	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	24.8
69.48235	12.6
89.58736	2.5
96.95995	2.5
105.03452	4.1
133.02943	39.0
135.04553	5.1
139.84460	2.6
141.51288	2.7
152.99535	5.5
161.02487	7.2
162.83925	4.5
164.83609	8.8
177.01921	12.7
179.03372	3.3
192.04265	100.0
193.04865	4.2
197.84537	2.9
211.13437	6.1
245.36781	2.8
271.22726	6.6
286.02148	2.6
354.72031	2.7
403.17484	8.3
403.96454	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	403.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93651	1.1
59.01366	1.5
61.98827	9.9
64.31620	1.0
70.79049	1.3
72.99302	8.3
85.72437	1.1
88.29111	1.1
97.06580	10.8
99.92551	2.4
100.92602	1.3
116.92821	1.2
119.79762	1.3
120.89689	3.4
121.89689	1.9
125.06081	97.9
126.06438	3.1
127.57755	1.0
137.90009	1.3
143.07140	96.2
144.07466	2.7
144.68954	1.1
148.83905	1.0
153.07042	1.2
277.21725	100.0
278.22031	10.2
391.24570	1.2
403.14679	4.2
403.28439	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	404.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.0
59.01380	28.9
61.98833	100.0
66.51627	0.8
68.99828	4.8
69.03452	1.5
69.25142	2.2
69.25532	1.6
71.01388	15.5
73.02927	1.3
83.01409	1.0
85.02952	3.1
87.00875	1.7
89.02446	17.4
95.01409	5.0
97.02940	2.3
101.02450	23.3
109.02956	2.9
109.03628	0.9
113.02461	4.6
115.00322	0.9
119.03510	7.0
123.04531	2.2
133.02957	2.3
134.03714	1.8
135.03595	1.4
135.04547	18.3
136.29294	0.7
137.02390	1.1
141.05589	11.4
143.03520	1.3
143.04602	1.3
149.04724	0.8
149.06079	3.8
155.03505	13.0
161.02473	17.0
161.04561	3.0
162.02806	0.9
164.91006	0.8
175.02563	3.7
177.05579	8.2
179.03500	31.2
179.05562	2.6
180.03836	1.6
193.05025	1.8
221.04556	13.7
221.06651	0.5
225.07542	0.9
233.04561	1.1
243.08731	8.7
251.05623	13.3
251.63422	0.8
281.06680	26.2
282.06924	1.7
302.30518	0.8
306.07550	1.2
341.08798	30.8
342.09048	3.4
372.84610	0.8
405.17609	2.8
405.21866	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	404.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	25.5
61.98831	100.0
69.44750	2.2
69.45140	1.9
71.01376	13.6
72.99323	1.1
73.02950	1.5
89.02439	18.1
95.01319	1.0
96.25562	0.9
96.96000	1.1
97.02942	2.3
98.22648	1.6
101.02448	12.5
104.47375	0.9
107.05013	1.8
109.02937	2.7
113.02435	4.4
117.01975	1.2
119.03474	5.2
127.04079	1.2
131.03499	1.0
133.02965	3.3
135.04529	42.4
136.04791	1.3
149.06056	2.9
159.04532	1.3
161.02457	19.7
161.04549	2.2
161.06036	1.6
162.02856	1.2
171.04514	1.7
179.03502	77.2
179.05571	6.3
180.03860	2.9
189.05588	13.4
199.26547	0.9
207.06670	3.0
221.04631	1.0
224.06401	1.0
225.07649	4.1
233.04544	14.2
234.04837	1.1
235.82202	0.9
243.08852	1.2
251.05556	2.3
281.06677	2.2
323.07990	1.0
341.08759	33.9
342.08768	2.1
404.16061	1.8
405.17737	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.8
61.01772	0.3
61.98829	100.0
64.74619	0.2
64.81700	0.2
67.78164	0.2
67.78519	0.3
69.54894	0.8
71.01388	1.0
72.01692	0.4
74.30978	0.3
85.02975	0.4
89.02451	1.0
89.09222	0.3
97.75320	0.2
98.21647	0.3
101.02465	0.6
112.98792	0.4
113.92249	0.3
119.03510	0.6
120.08934	0.3
122.19121	0.3
123.08206	0.3
126.65761	0.3
133.06329	0.3
135.04512	0.5
137.94504	0.2
139.62592	0.3
142.99911	0.3
149.70229	0.3
158.38875	0.3
169.08667	1.6
203.20154	0.3
213.07790	1.0
341.35681	0.3
342.11423	0.3
343.11545	0.6
344.11856	1.3
404.09259	0.3
405.08844	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25787	0.3
56.48975	0.3
61.98828	100.0
69.16579	0.8
69.16975	1.4
95.51595	0.3
98.22603	0.6
104.85339	0.3
120.88335	0.3
128.62740	0.3
151.30762	0.4
231.75119	0.3
239.09773	0.4
332.66159	0.4
393.54474	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	7.6
59.01377	18.9
61.98825	2.6
66.03499	1.0
68.05042	1.1
70.02968	1.1
71.01391	7.1
71.79601	1.1
72.00926	1.1
72.99275	1.0
73.02943	2.5
74.02470	18.0
81.04566	1.1
82.02971	2.1
83.77312	1.0
85.02943	2.0
86.02469	8.0
86.06115	1.7
86.99115	2.0
87.05637	5.0
89.02425	4.3
90.00179	2.5
97.04069	2.0
98.21849	2.0
99.00923	1.0
99.05637	18.0
101.02430	3.0
101.07191	2.4
102.05602	3.0
109.04083	2.9
109.07698	1.2
111.00875	4.0
111.05643	1.1
112.01218	2.1
112.04018	2.3
113.02487	2.4
116.01759	1.4
119.03519	1.5
120.99825	0.9
123.05645	2.7
127.04070	1.2
127.05113	2.8
128.03535	47.2
131.04594	1.6
135.04555	1.2
135.05635	4.1
137.07150	1.2
141.06737	4.9
143.04614	65.6
144.04913	1.0
145.06200	2.0
146.04588	6.2
153.06670	3.5
155.03488	1.3
160.00746	18.3
161.04572	1.4
166.09856	2.7
167.04625	4.4
167.08260	1.9
177.03372	6.1
179.04594	11.7
179.07028	1.4
185.05681	3.0
191.05627	1.3
192.07611	1.3
197.05658	1.6
198.08784	1.5
210.08823	9.5
231.04675	1.1
242.07732	2.7
254.07799	17.7
272.08875	26.4
273.09265	1.8
288.06622	11.4
303.62460	1.0
306.07639	100.0
307.07874	6.1
341.08670	1.7
345.15457	1.4
360.13794	2.3
405.17542	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
57.03448	1.7
59.01377	100.0
59.66956	1.4
60.01698	1.6
61.98829	49.9
63.55122	1.4
64.16578	1.4
67.01886	2.9
68.99810	6.7
69.33605	7.7
71.01376	55.5
72.01715	1.7
72.99297	2.0
73.02955	3.6
80.29027	1.6
85.02944	9.1
85.20370	1.7
85.53953	1.3
87.00876	2.6
89.02441	76.1
90.02779	1.7
95.01374	3.6
96.95996	4.3
97.02940	3.1
99.00905	2.1
99.04510	1.7
101.02445	49.0
107.05007	3.4
107.86628	1.3
111.00943	2.1
113.02448	22.5
117.01946	15.3
119.03513	30.5
121.06582	1.7
122.06123	3.0
123.04501	1.6
127.04012	11.8
131.03505	5.1
133.02939	2.2
135.04556	10.1
143.03516	8.5
149.04597	2.5
149.06093	5.5
155.03487	2.0
161.02449	8.7
161.04543	13.0
165.50436	1.5
167.10777	5.8
177.05547	3.5
179.03505	18.7
179.05600	33.9
189.05537	2.9
191.05589	4.3
193.05103	1.9
195.06680	2.1
198.05275	1.8
200.12949	1.4
221.04564	4.2
225.07669	5.7
233.04565	2.4
243.08720	15.2
251.05565	3.5
281.06494	7.7
289.11520	1.5
341.08704	13.6
405.21402	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	404.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22816	1.9
53.68859	1.7
59.01377	91.2
61.98826	100.0
68.99802	10.7
69.03454	3.1
69.20371	9.6
71.01009	3.4
71.01379	46.5
73.02946	3.8
85.02950	8.2
87.00854	4.4
89.02448	49.4
95.01385	8.4
97.02930	3.2
98.21878	3.9
101.02434	46.7
109.02962	3.2
113.02430	14.3
115.00363	4.2
119.03512	24.7
123.04508	5.7
123.48632	2.0
127.04002	3.3
133.02992	2.1
134.03786	2.3
135.04507	24.9
141.05583	14.2
143.03549	2.4
143.04648	2.0
149.06056	4.3
155.03506	19.6
161.02437	16.8
161.04559	6.7
163.07631	5.4
175.02464	6.1
176.06793	2.0
177.05498	5.4
179.03493	39.0
179.05580	9.3
181.08580	2.9
191.05576	2.6
221.04495	8.9
226.93207	2.5
233.04546	3.2
243.08759	8.0
251.05586	10.9
281.06650	19.4
282.06949	3.0
331.13998	5.6
341.08771	26.7
343.13950	30.5
344.14072	3.3
361.15027	35.9
362.15323	2.9
405.17270	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	404.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.5
61.98827	100.0
69.08615	0.3
78.37772	0.4
90.23136	0.4
205.12300	0.4
386.16714	0.5
386.45938	0.4
404.17896	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	404.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84366	0.4
59.01380	1.5
61.98831	100.0
69.03448	0.5
69.11047	1.9
69.11472	1.2
71.01405	0.5
72.99326	1.2
79.76117	0.4
85.02949	0.5
87.00886	0.5
93.03491	0.6
98.22594	1.1
104.14309	0.6
109.02979	0.5
111.04507	0.6
121.02957	0.5
125.02418	0.6
133.02965	0.9
134.03751	0.6
135.04578	0.7
137.02521	0.5
148.05246	0.5
151.00412	0.4
152.99641	0.6
164.04785	0.5
169.08676	0.6
171.10316	1.2
177.02042	0.6
178.02728	0.6
191.05647	0.8
211.13422	0.7
231.11703	0.4
242.08220	0.6
281.10263	0.8
318.01578	0.9
341.19611	0.8
354.14313	1.0
360.15381	0.8
369.28516	0.5
388.52362	0.5
404.13589	0.8
404.18423	0.6
405.16107	0.9
405.26099	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04959	0.6
60.01716	0.7
61.98827	100.0
69.55583	2.7
78.99529	0.6
142.07722	0.9
151.45778	0.8
215.23909	0.7
225.94266	0.7
266.69000	0.8
275.97147	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.34922	3.0
98.22595	1.8
121.88543	0.7
130.36369	0.8
152.36072	0.8
209.11877	1.0
226.27048	0.7
269.83347	0.8
352.37619	0.8
424.02505	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1191
Annotation	(-)-2,3-Dihydro-9-O-beta-glucosyloxy-2-isopropenyl-7H-furo[3,2-g][1]benzopyran-7-one
Peak:m/z	Relative Intensity
59.01379	9.4
61.98818	2.3
71.01395	4.7
71.45325	0.6
85.02940	1.5
89.02446	4.5
93.03458	100.0
94.03783	2.0
101.02473	2.9
107.11623	0.5
108.02153	0.7
113.02415	1.4
119.03476	2.3
121.02959	9.5
133.02928	2.2
135.04552	0.9
137.02448	50.6
138.02774	1.9
139.03996	0.9
161.02484	0.8
179.05635	0.9
197.06090	0.6
199.07651	28.6
200.08018	1.5
220.24854	0.5
225.11327	1.3
225.14972	6.9
226.15327	1.0
243.06615	48.3
244.06839	2.9
303.49377	0.5
346.91415	0.5
405.11899	70.8
405.20868	2.3
406.12219	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	405.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96978	1.8
57.01888	1.7
57.03464	2.2
58.00591	2.9
58.57549	1.7
59.01381	88.5
61.98833	65.5
62.98540	3.2
63.99244	5.2
67.26131	1.5
68.99825	2.1
71.01383	58.5
72.99310	2.9
73.02945	2.7
78.81586	1.7
83.01383	4.4
85.02961	10.8
87.00881	11.1
89.02446	65.4
95.01376	3.9
98.99371	3.4
101.00966	3.0
101.02451	34.7
107.05016	2.0
108.42204	1.6
113.02470	20.0
114.92296	1.8
117.00483	2.3
119.03528	26.3
121.02982	7.1
123.04596	2.1
125.00967	3.1
126.98875	2.4
127.04014	2.6
129.01982	2.0
131.03548	3.3
134.03751	6.7
135.04541	30.6
135.40854	1.6
137.02487	2.9
138.03268	2.5
141.00441	20.7
143.03444	4.1
147.04536	3.2
149.02463	14.4
149.04567	3.7
149.06024	1.7
152.04831	1.8
153.00438	1.9
153.05579	3.5
155.03448	3.1
161.04572	7.8
165.01938	2.4
165.05539	6.3
168.99828	3.1
177.01938	100.0
178.02267	5.4
179.03648	1.6
179.05597	10.8
179.60262	1.6
183.01567	3.3
191.03569	2.0
191.05632	3.5
192.04301	49.6
193.04811	3.4
194.37425	1.6
195.03003	7.9
195.06693	3.5
207.06584	14.2
210.05315	6.7
225.07715	18.7
243.08923	2.9
285.01450	2.0
285.08353	21.6
297.09723	5.9
303.62784	2.1
327.09518	2.0
345.10358	26.1
346.10855	3.1
387.13025	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	405.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.8
57.03444	2.2
58.00589	2.8
59.01379	94.5
61.98830	88.0
62.98538	3.7
68.99825	2.5
69.27633	6.8
69.28043	3.9
71.01381	54.3
73.02940	5.8
83.01381	4.2
85.02950	13.2
86.98429	2.1
87.00864	8.3
89.02447	71.1
90.02797	2.5
95.01364	4.1
97.02967	2.3
98.99366	4.9
101.02443	34.1
107.04998	2.3
111.00898	2.2
113.02465	23.1
119.03505	26.4
123.04507	2.3
126.98942	3.3
127.03944	2.7
131.03474	3.7
134.03741	9.7
135.04520	41.7
136.66800	2.3
138.03212	2.6
141.00458	32.9
143.03491	4.9
147.04471	2.9
149.02431	17.0
149.06090	3.1
153.00346	2.6
153.05602	3.1
155.01999	2.1
160.01761	2.5
161.04474	7.3
165.05583	9.0
168.99930	2.8
177.01924	100.0
177.03479	4.8
178.02318	4.2
179.03392	3.5
179.05563	9.4
183.01532	5.5
191.03630	2.1
192.04269	54.0
193.04744	5.1
195.02945	5.2
195.06586	2.5
200.21622	2.2
207.06610	14.8
210.05356	5.8
225.07733	19.5
243.08801	3.3
277.00247	2.5
285.08273	37.1
286.08508	4.6
297.09793	10.2
303.09344	2.9
327.09274	4.6
341.09140	2.5
345.10355	36.5
346.10596	4.1
387.12897	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1402
Annotation	Ipolamiide
Peak:m/z	Relative Intensity
55.01878	1.1
57.03447	1.0
59.01376	100.0
60.01726	1.4
65.33232	0.8
67.01897	2.5
68.99813	3.6
69.03461	1.8
71.01379	43.6
71.05016	3.5
72.99291	1.2
73.02946	4.6
83.01413	1.0
83.87337	0.7
85.02949	9.0
87.00881	2.4
89.02444	44.0
93.03423	0.9
95.01382	4.3
97.06588	8.6
98.22620	1.9
101.02441	25.8
106.04259	0.8
111.00884	2.9
113.02448	16.6
116.16879	0.7
119.03502	21.1
119.04884	0.9
120.03860	0.7
120.23505	0.8
121.06585	2.2
123.04626	0.8
123.08184	2.2
125.06098	3.4
127.04023	3.8
131.03508	1.7
135.04587	0.9
139.00369	8.1
143.03511	2.7
143.04572	1.0
149.04507	1.8
149.06044	4.4
151.04018	6.2
155.03546	1.3
161.02454	1.2
161.04544	6.7
163.07600	1.6
167.07141	2.9
177.03281	1.4
179.05598	7.5
181.08719	4.3
182.17703	0.8
191.05701	1.0
193.05060	6.1
211.06085	7.0
222.04176	0.8
225.07632	5.8
243.08733	1.7
243.12476	1.0
295.09680	1.6
329.11346	3.6
345.15488	10.8
346.16089	1.1
347.21161	0.8
373.11230	6.0
399.89017	0.8
405.13547	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	405.1408
Annotation	Harpagide 7-acetate
Peak:m/z	Relative Intensity
57.03443	1.1
59.01381	59.5
60.01707	0.8
61.98832	6.5
65.82380	0.6
67.01889	2.9
68.99820	32.7
69.03458	9.0
69.08214	4.1
71.01382	30.9
72.01745	0.8
72.99319	1.5
73.02944	2.7
83.01386	1.5
85.02941	4.8
87.00886	3.0
87.04519	1.9
89.02449	37.3
89.38155	0.7
90.02798	0.7
93.03448	1.3
93.75699	0.7
95.01393	25.3
95.02010	1.3
95.05029	3.2
96.01754	0.9
97.02956	5.7
98.21899	1.5
101.02447	100.0
102.02802	1.7
107.05027	0.7
108.02173	0.9
109.02976	0.7
111.00854	0.9
113.02467	11.5
114.02800	0.6
115.00391	2.7
117.01948	1.0
119.03506	15.3
121.02940	1.2
121.06572	2.8
123.04529	20.3
125.02435	0.9
127.04022	4.3
131.03534	1.3
138.16475	0.5
141.05589	63.4
142.05920	2.0
143.03519	2.5
149.02544	0.7
149.04674	0.8
149.06108	4.2
153.05583	0.7
155.03513	65.5
156.03835	1.6
161.04564	4.8
175.02486	8.1
179.03513	1.0
179.05623	6.6
181.05141	1.3
191.05699	0.9
193.05089	5.8
199.06139	1.5
225.07748	3.0
243.08727	38.6
244.09145	1.5
363.16635	0.9
367.16110	1.3
405.13565	3.5
405.17950	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.1
59.01381	59.5
60.01707	0.8
61.98832	6.5
65.82380	0.6
67.01889	2.9
68.99820	32.7
69.03458	9.0
69.08214	4.1
71.01382	30.9
72.01745	0.8
72.99319	1.5
73.02944	2.7
83.01386	1.5
85.02941	4.8
87.00886	3.0
87.04519	1.9
89.02449	37.3
89.38155	0.7
90.02798	0.7
93.03448	1.3
93.75699	0.7
95.01393	25.3
95.02010	1.3
95.05029	3.2
96.01754	0.9
97.02956	5.7
98.21899	1.5
101.02447	100.0
102.02802	1.7
107.05027	0.7
108.02173	0.9
109.02976	0.7
111.00854	0.9
113.02467	11.5
114.02800	0.6
115.00391	2.7
117.01948	1.0
119.03506	15.3
121.02940	1.2
121.06572	2.8
123.04529	20.3
125.02435	0.9
127.04022	4.3
131.03534	1.3
138.16475	0.5
141.05589	63.4
142.05920	2.0
143.03519	2.5
149.02544	0.7
149.04674	0.8
149.06108	4.2
153.05583	0.7
155.03513	65.5
156.03835	1.6
161.04564	4.8
175.02486	8.1
179.03513	1.0
179.05623	6.6
181.05141	1.3
191.05699	0.9
193.05089	5.8
199.06139	1.5
225.07748	3.0
243.08727	38.6
244.09145	1.5
363.16635	0.9
367.16110	1.3
405.13565	3.5
405.17950	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30735	1.0
50.45243	1.1
55.01873	1.4
55.14262	1.0
59.01379	39.5
71.01381	14.8
73.02950	5.3
77.49933	1.3
85.02943	1.9
89.02449	13.5
95.01373	1.7
95.05014	1.4
101.02433	6.3
113.02477	6.1
119.03517	5.8
142.60770	1.1
163.11287	3.8
181.12358	26.9
190.15990	1.0
225.11325	100.0
226.11601	5.7
243.12340	1.6
405.17618	39.6
406.17999	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	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
58.00609	0.9
59.01377	100.0
60.01703	1.2
69.12982	3.7
69.13388	2.3
71.01378	34.0
73.02935	2.8
77.28973	1.0
83.01369	1.3
84.96130	0.8
85.02951	7.4
87.00885	1.3
89.02443	40.8
93.83405	0.9
95.01372	4.2
99.00909	1.4
101.02448	17.3
105.27081	0.9
113.02451	13.1
119.03507	16.2
120.83813	0.9
131.03543	1.4
139.11270	1.5
143.03464	2.4
149.04509	2.2
161.04576	4.8
163.11287	3.3
179.05643	4.6
181.12349	38.0
182.12637	1.7
183.10211	3.4
199.07028	1.1
199.13426	3.3
214.71622	0.9
225.11322	68.8
226.11703	3.9
243.12323	11.8
285.13477	2.5
345.15485	10.2
405.17639	47.5
406.17667	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
57.03438	1.1
58.04584	0.9
59.01378	100.0
60.01709	1.6
61.98839	6.8
67.01891	1.0
68.99806	2.6
69.03460	2.2
69.43272	3.4
71.01380	25.0
73.02947	8.2
83.01390	1.9
85.02940	7.5
87.00873	1.9
89.02444	14.4
95.01385	3.2
95.91178	0.8
96.96007	1.6
97.02960	2.2
99.00888	2.4
100.62474	0.9
101.02449	20.5
107.19002	0.9
113.02448	11.7
113.89346	0.9
119.03512	5.9
122.06139	2.0
123.04519	1.6
127.04006	3.9
131.03546	1.3
136.04848	0.9
137.09717	2.5
141.05585	2.0
143.03493	1.9
149.06070	1.3
153.05467	1.3
155.03482	4.2
159.02950	1.8
161.02444	1.5
161.04547	21.3
162.02728	1.1
162.04820	1.2
166.96352	0.8
179.03433	2.0
179.05600	2.7
181.08574	1.0
183.10234	1.6
191.05594	3.3
197.08040	1.4
225.07693	3.4
227.56432	0.9
243.08720	5.0
245.12895	1.3
289.11966	1.5
342.09180	1.8
345.15439	6.4
405.17679	16.8
405.21490	0.8
405.22610	1.3
406.17606	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	405.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24485	0.8
55.01881	1.4
56.13225	0.8
57.03427	2.2
59.01380	100.0
60.68989	0.9
71.01379	36.1
72.01739	1.1
72.71750	0.8
72.99281	1.2
73.02942	3.5
83.01387	2.1
85.02952	7.6
89.02444	36.9
95.01393	3.1
98.22693	1.6
101.02444	19.4
113.02441	12.4
115.73389	0.9
119.03502	17.2
131.03517	1.5
139.11308	2.8
143.03505	2.9
155.03502	1.2
155.42294	0.9
161.04576	4.6
163.11281	3.4
179.05626	5.4
181.12340	34.8
182.12720	1.3
183.10254	5.5
199.13342	2.9
211.99998	1.0
225.11330	68.0
226.11613	4.4
243.12373	21.2
257.13995	0.9
285.13470	4.8
312.32111	1.3
315.14468	2.3
345.15561	12.1
353.67145	1.0
405.17618	48.8
406.17902	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	405.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70656	7.1
54.45681	6.5
58.29760	7.2
59.01377	45.1
61.98819	36.9
68.99829	12.2
71.05022	24.1
80.91667	86.3
80.96503	30.2
83.22150	8.5
87.44412	7.0
93.03481	14.2
95.01373	24.6
95.05055	11.2
97.02966	7.8
97.06548	13.7
99.04516	8.9
99.92599	40.1
106.04229	9.1
107.05037	9.5
108.88300	8.3
116.92838	10.8
122.41172	7.7
131.48839	7.6
151.07611	17.7
164.52437	8.4
175.11227	11.2
215.10614	22.6
217.12090	24.2
219.13887	18.5
231.09892	9.6
243.09976	23.7
245.11507	9.5
247.09579	12.8
259.13132	21.3
271.13049	9.7
287.12576	100.0
287.16296	15.3
299.16299	26.2
323.16846	18.0
327.15591	27.2
328.16345	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	405.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
57.03447	12.5
58.00592	1.1
59.01379	100.0
60.01708	0.9
68.99818	0.4
69.03460	1.2
71.01381	56.6
72.01729	1.0
72.99307	1.6
73.02946	4.6
74.02483	0.3
75.00859	0.4
81.03460	0.4
83.01382	2.1
83.05009	1.2
84.30622	0.2
85.02950	12.1
86.03264	0.3
87.00872	2.2
87.04520	0.9
89.02443	65.3
90.02786	0.7
93.03461	0.4
95.01391	4.3
95.05027	0.4
97.02958	1.2
97.06587	0.3
99.00878	1.2
100.90121	0.2
101.02444	30.0
103.00977	0.2
108.52833	0.2
109.02975	0.3
109.06608	0.6
112.05299	2.4
113.02449	21.7
113.06084	0.6
114.02772	0.5
115.04063	0.3
119.03503	26.1
120.03823	0.4
120.05814	1.1
121.02861	0.3
121.06602	1.0
123.04537	0.7
124.05223	0.2
125.02444	0.6
125.06105	0.5
125.09706	0.4
127.04057	0.3
128.03548	0.4
129.03966	0.2
131.03499	2.7
131.08679	0.5
133.86801	0.2
134.07388	4.2
135.00882	0.5
135.08185	3.7
137.09712	2.7
139.07663	4.8
139.11307	1.0
139.68549	0.3
143.03523	4.7
143.04567	0.5
149.02464	0.3
149.04527	1.9
149.06084	0.9
149.09718	38.4
150.10069	2.0
152.08423	0.3
152.74957	0.2
153.01933	0.4
153.09213	22.6
154.09581	1.2
155.03500	1.2
159.02992	0.7
161.04549	9.4
162.04898	0.3
167.10770	65.9
168.11098	3.4
171.10251	0.9
179.05615	9.4
180.06004	0.5
183.06598	0.6
191.05568	0.5
193.05040	1.3
207.13878	1.9
209.11858	2.6
225.07701	0.5
225.11424	0.3
225.14972	4.7
226.15388	0.5
233.10291	0.3
243.16002	12.9
244.16380	0.8
294.21851	0.3
306.07892	0.3
307.07941	0.7
317.10400	0.2
320.02924	0.2
341.08752	0.3
345.15399	0.3
346.71045	0.2
359.13251	0.2
363.16785	0.3
405.13098	0.5
405.21591	5.6
406.21487	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2127
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01870	0.9
57.03449	0.6
58.00577	0.7
59.01379	55.5
60.01711	0.7
61.98824	1.1
65.07717	0.4
67.36555	0.4
69.32254	1.1
69.32662	1.6
71.01380	47.0
72.01714	0.4
72.99294	1.3
73.02934	1.3
79.95727	0.6
82.95396	0.4
83.01377	1.3
85.02942	5.5
87.00896	0.6
89.02440	25.1
95.01393	1.4
97.06592	0.4
98.21823	0.9
99.00857	0.6
101.02439	16.1
113.02451	10.8
116.92850	2.5
117.92863	0.6
119.03502	10.5
127.11350	0.9
131.03435	0.5
133.02919	2.1
137.57870	0.4
139.11244	0.7
143.03479	1.0
149.04593	0.6
153.12854	2.4
155.14389	0.6
158.72701	0.4
161.02354	0.6
161.04543	0.6
173.04559	0.6
175.53557	0.5
176.81006	0.4
179.05644	2.1
181.12337	0.9
181.66776	0.5
199.13385	5.5
207.13942	0.7
225.11433	0.8
225.14961	2.4
243.15990	0.8
255.11357	0.9
285.12341	2.4
317.14972	0.5
319.14069	0.5
322.75488	0.6
329.11505	0.6
387.20200	2.0
393.69226	0.5
405.21259	100.0
406.21664	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
57.03448	10.8
58.00584	1.2
58.02980	0.8
59.01378	100.0
60.01710	1.4
61.98837	0.7
68.99783	0.6
69.03460	1.1
69.20756	1.5
71.01380	54.3
72.01727	0.9
72.99303	1.5
73.02950	5.0
74.02461	2.0
83.01384	2.2
83.05006	0.8
84.04553	0.4
85.02950	10.6
86.02499	0.5
87.00885	1.9
87.05633	0.6
89.02441	59.8
90.02785	1.2
95.01379	4.1
97.02946	1.2
97.06586	0.5
98.61684	0.4
99.00904	1.1
99.05663	1.7
101.02443	33.7
102.02813	0.5
113.02447	20.6
114.02841	0.7
119.03500	28.9
121.06618	1.1
122.03712	0.6
123.04507	0.6
123.08173	3.6
124.00903	0.4
125.02480	0.5
125.06079	2.1
127.04067	0.4
128.03529	4.9
131.03526	3.3
133.06935	1.0
135.05597	0.6
143.03500	4.0
143.04645	6.9
144.05016	0.9
146.04599	0.7
149.04584	2.1
149.06064	0.7
155.03503	0.8
159.02995	1.1
161.04564	11.5
162.04953	0.5
167.04727	0.4
167.08295	0.4
167.10776	5.4
179.04353	0.7
179.05666	9.8
182.08969	0.5
188.45879	0.4
191.05676	0.5
193.05087	1.5
197.05661	0.4
210.08897	1.3
217.26620	0.4
225.07564	0.5
243.16014	9.6
254.07768	2.3
255.08278	0.7
272.08862	3.1
273.09213	0.6
277.12036	0.5
298.36041	0.4
306.07516	1.2
307.07965	1.5
341.08759	0.7
342.64444	0.4
362.15234	0.8
363.16769	0.6
405.21320	48.9
406.16519	5.7
406.21674	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	405.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60246	19.8
56.25532	18.9
61.98803	36.3
69.46131	100.0
83.04642	21.6
101.32640	19.7
131.88353	20.9
157.66696	19.7
163.61067	25.2
209.11813	58.9
226.07498	25.7
264.80331	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	405.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30610	0.6
57.04601	0.7
61.66623	0.7
61.98822	2.4
63.78179	0.7
77.43011	0.8
83.05022	2.5
85.06590	21.3
85.07108	1.1
86.49831	0.7
111.04530	11.1
129.05577	100.0
130.05882	3.7
170.29176	0.6
275.20142	3.8
276.20370	0.7
277.92767	0.7
279.19565	1.1
293.21237	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	405.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.9
59.01389	1.0
69.23988	1.4
69.24388	3.4
70.69043	0.6
81.03491	0.8
83.05006	0.8
91.05557	0.7
95.05045	1.4
111.08150	0.9
121.43922	0.7
137.09700	1.1
152.97874	0.8
163.72746	0.7
195.17453	0.8
211.13330	1.3
213.15012	2.3
225.15073	0.7
231.17580	0.9
232.63800	0.7
239.16586	2.5
241.18129	1.7
247.17168	0.9
275.16599	0.7
288.88632	0.8
313.25171	0.9
315.27005	1.7
325.25253	4.1
333.28046	2.0
341.24835	2.6
343.26404	4.0
359.25928	2.7
361.27481	2.2
369.24173	4.7
377.27002	1.2
387.25507	9.1
388.25674	1.3
405.26437	100.0
406.26791	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	405.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.4
61.98809	5.3
92.52930	1.1
97.06636	1.4
102.00806	1.2
110.02406	0.9
116.92850	1.5
137.09712	1.8
185.11775	1.7
196.48137	1.3
213.14984	1.6
239.16570	3.5
241.18103	1.5
241.42610	1.3
289.18192	1.7
291.19623	2.0
307.19122	1.9
307.22565	1.2
315.26984	2.6
323.22195	2.3
325.25305	3.8
333.27670	1.3
343.26428	3.6
359.25748	4.3
361.27484	3.1
369.24353	4.7
377.26764	2.4
387.25330	11.4
388.25922	1.9
405.26456	100.0
406.26865	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	406.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	13.0
59.01385	17.5
61.98825	7.5
66.03501	2.5
71.01387	6.1
72.00911	2.5
74.02470	25.8
82.02988	3.2
85.02941	1.5
86.02479	13.3
86.06125	1.8
87.02745	1.3
87.05643	4.6
88.04044	1.3
89.02435	4.7
96.04546	2.6
97.04078	4.2
99.05647	24.9
101.02445	5.4
101.07196	4.0
102.05610	5.4
102.98620	1.7
106.57906	1.3
109.04085	5.1
109.07777	1.3
111.05636	1.5
111.65862	1.5
112.04050	3.6
113.02465	2.2
119.03553	1.9
123.05632	2.0
124.04045	1.6
125.03582	1.8
126.04353	3.2
127.05157	5.7
128.03549	65.8
129.03882	2.3
133.06943	15.7
135.05667	8.6
137.07234	1.4
141.06709	3.5
143.04634	100.0
144.04961	3.4
145.06155	3.9
146.04616	9.1
149.07213	2.4
150.03169	1.4
153.06668	7.0
161.04584	2.2
166.09886	5.2
167.04630	5.5
167.08319	7.0
170.03348	2.5
171.04117	1.6
179.04616	19.9
185.05719	3.3
192.07819	3.0
197.05643	4.4
210.08865	21.9
254.07825	43.0
254.10510	2.5
255.08124	3.2
272.08896	50.5
273.09225	3.4
277.12326	6.2
283.04999	2.3
308.07468	3.7
355.04761	1.3
363.16656	1.7
388.15561	8.0
406.16559	65.0
407.16992	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	406.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	13.0
59.01385	17.5
61.98825	7.5
66.03501	2.5
71.01387	6.1
72.00911	2.5
74.02470	25.8
82.02988	3.2
85.02941	1.5
86.02479	13.3
86.06125	1.8
87.02745	1.3
87.05643	4.6
88.04044	1.3
89.02435	4.7
96.04546	2.6
97.04078	4.2
99.05647	24.9
101.02445	5.4
101.07196	4.0
102.05610	5.4
102.98620	1.7
106.57906	1.3
109.04085	5.1
109.07777	1.3
111.05636	1.5
111.65862	1.5
112.04050	3.6
113.02465	2.2
119.03553	1.9
123.05632	2.0
124.04045	1.6
125.03582	1.8
126.04353	3.2
127.05157	5.7
128.03549	65.8
129.03882	2.3
133.06943	15.7
135.05667	8.6
137.07234	1.4
141.06709	3.5
143.04634	100.0
144.04961	3.4
145.06155	3.9
146.04616	9.1
149.07213	2.4
150.03169	1.4
153.06668	7.0
161.04584	2.2
166.09886	5.2
167.04630	5.5
167.08319	7.0
170.03348	2.5
171.04117	1.6
179.04616	19.9
185.05719	3.3
192.07819	3.0
197.05643	4.4
210.08865	21.9
254.07825	43.0
254.10510	2.5
255.08124	3.2
272.08896	50.5
273.09225	3.4
277.12326	6.2
283.04999	2.3
308.07468	3.7
355.04761	1.3
363.16656	1.7
388.15561	8.0
406.16559	65.0
407.16992	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	406.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
61.64644	1.4
61.70724	1.3
61.98830	100.0
69.30789	3.1
69.31197	3.8
84.87289	1.2
134.09802	2.7
181.08879	1.2
182.43468	1.4
318.20645	4.1
333.86145	1.6
344.22330	4.8
362.19690	4.9
406.22546	2.6
407.07578	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	406.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	4.8
61.98829	100.0
64.08096	2.2
65.42403	2.0
74.50096	1.8
83.45982	2.2
93.22956	2.0
99.92577	11.1
115.92053	2.3
116.92894	5.9
117.92863	2.5
141.86798	3.5
163.72743	2.0
293.43274	2.2
356.32693	2.1
359.11935	1.9
405.27988	2.2
406.10782	3.8
427.59552	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	407.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31197	2.0
59.01376	3.2
61.98831	46.3
70.31282	2.2
71.43688	2.1
71.44071	2.4
74.09155	2.2
84.93873	2.9
99.04534	3.7
99.92581	58.8
100.92673	3.2
100.93358	35.4
115.92085	69.7
116.92093	4.0
116.92860	100.0
117.78929	2.0
117.92879	2.9
123.04501	2.3
141.53783	2.2
151.95853	2.1
205.01518	2.3
289.18033	5.5
295.37402	2.7
315.41190	2.4
319.06500	2.4
326.46725	2.1
332.07013	3.2
345.13983	3.8
345.20657	3.9
347.14969	7.4
367.06625	3.7
371.09531	18.9
372.09781	3.0
385.07541	9.9
389.10678	30.6
389.15811	5.7
390.10553	3.6
391.03009	2.4
403.08408	10.4
407.11783	14.2
408.12949	3.2
417.06216	2.5
431.13983	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34546	0.4
59.01377	1.1
61.98828	0.7
67.01890	0.9
68.99823	9.6
69.03455	17.6
69.10224	2.8
71.01405	0.7
79.95746	1.4
83.01395	1.7
88.04053	1.0
89.03965	0.6
91.05556	0.7
93.03426	0.8
94.02988	0.7
95.05047	0.5
95.79966	0.4
96.04518	0.6
96.96014	3.8
101.02446	24.6
107.05025	2.1
109.02965	1.7
109.06611	0.5
111.00880	12.9
117.03497	0.7
125.07248	0.6
130.08749	0.7
133.02962	9.2
134.03749	8.4
134.04704	0.7
135.04529	100.0
136.04855	4.3
137.02487	0.9
143.03511	2.2
147.04575	0.5
159.04500	2.8
161.02448	19.7
162.02831	1.3
162.09251	0.7
163.04048	0.4
164.07187	0.4
173.04573	0.6
175.04033	2.7
178.02678	0.5
179.03499	80.9
180.03856	3.4
181.05049	2.2
193.04927	0.6
195.06613	0.5
203.03511	15.7
204.03836	0.8
213.07704	6.0
220.12149	1.5
243.27484	0.5
245.04233	0.6
249.16087	1.3
273.04501	0.7
273.07639	2.5
275.09131	0.5
275.17709	0.9
277.07065	0.7
293.15115	0.8
303.16159	0.5
343.07968	0.8
347.11432	0.6
361.12979	1.0
363.19214	4.0
375.10822	0.7
407.13342	1.3
407.17978	7.3
408.18173	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78268	1.3
59.01359	4.1
61.95765	1.2
61.98836	11.3
69.03455	31.0
71.02129	1.1
72.99298	1.8
78.95907	7.5
80.57035	1.2
85.02937	2.1
95.05024	3.0
99.45270	1.7
101.02470	1.6
107.04997	2.2
117.03471	1.4
117.86146	1.3
121.02967	1.5
125.06080	2.5
133.02963	6.2
134.03731	8.0
135.04529	100.0
136.04831	4.6
150.82375	1.2
151.07634	5.8
161.02444	29.6
162.02763	2.5
169.08719	1.5
173.04596	1.4
179.03493	75.8
180.03815	3.0
181.39589	1.3
245.10281	2.5
261.07706	11.6
275.09351	2.0
313.10907	3.3
331.11862	84.9
332.12292	8.2
401.24411	1.3
407.06665	3.4
407.17468	4.1
407.22153	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	407.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03763	1.1
59.01376	8.5
61.98819	11.1
67.11153	1.4
69.03459	30.1
69.03811	2.0
71.01392	1.8
78.95900	12.1
83.05045	1.2
87.17037	1.2
89.02463	1.4
94.09172	1.3
95.05014	2.0
101.02467	2.2
107.05062	1.4
109.02943	1.2
113.23343	1.2
121.02988	1.2
123.04504	1.5
133.02965	9.7
134.03745	5.9
135.04523	100.0
136.04865	3.5
148.05287	1.4
151.07704	2.9
161.02434	33.4
173.04544	1.4
179.03497	88.7
180.03819	3.8
191.05577	1.3
209.11826	1.9
219.28398	1.3
261.07669	23.5
265.07697	1.9
313.10913	3.0
331.11856	69.0
332.12146	8.4
407.17914	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	407.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96552	1.0
59.01368	4.1
61.98815	2.7
68.99810	4.6
69.03453	26.4
69.10888	7.6
71.01379	1.6
73.02918	1.3
74.76065	1.1
79.95736	27.6
80.96510	4.2
83.01360	1.9
84.71906	1.3
85.02933	3.3
88.04028	3.1
89.85391	1.2
93.03408	1.1
95.05031	1.9
95.95229	4.6
96.96008	96.9
101.02437	17.7
107.05014	2.1
109.02970	2.6
109.06586	1.5
111.00891	10.3
120.99625	2.6
130.08752	1.6
133.02965	7.0
134.03772	8.7
135.04523	100.0
136.04846	4.8
137.02434	1.7
143.03476	2.7
159.04446	1.2
161.02444	25.6
162.02843	1.6
171.10240	7.0
178.08723	1.7
179.03491	85.0
180.03775	2.3
181.05046	1.6
193.05159	1.3
203.03479	9.4
211.08986	1.1
211.13374	4.8
213.07648	4.1
215.78465	1.1
229.14473	9.7
235.06467	2.8
239.12842	1.4
245.10335	1.2
261.07819	5.9
273.07571	2.3
275.09406	1.4
327.21735	9.3
331.11865	39.0
332.12131	4.0
361.12393	1.4
363.19186	3.7
407.17471	98.5
408.17966	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	407.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.2
61.98819	0.6
65.43760	0.4
68.99827	0.8
69.03453	2.6
69.59599	0.6
69.59938	1.8
73.02956	0.5
79.95736	33.1
80.96510	3.4
83.77959	0.4
85.02957	2.6
88.04032	0.9
89.17887	0.5
89.94353	0.5
95.95229	5.4
96.96009	100.0
97.06603	0.8
101.02443	2.1
109.02945	1.0
110.99900	0.4
111.00886	1.9
120.99648	0.8
127.11246	0.8
133.02939	1.1
134.03748	1.5
135.04527	15.2
137.09648	0.6
161.02443	4.6
164.98602	1.1
165.12846	0.7
171.10284	6.8
172.10652	0.7
177.12947	0.5
179.03500	9.8
183.13890	0.8
187.04088	0.5
203.03534	1.6
209.11810	0.9
211.13383	5.6
212.13708	0.5
221.11905	1.3
229.14442	10.5
230.14954	0.7
235.06451	2.0
239.12949	0.7
247.20610	0.6
291.19745	0.7
309.10156	0.7
309.20847	0.6
327.12631	0.5
327.21741	10.7
328.22263	0.7
337.09396	0.6
347.11401	0.8
361.12952	1.0
363.19226	2.5
407.17468	95.9
408.12589	0.7
408.17816	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	407.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	23.1
61.98830	2.2
71.45415	1.5
73.16302	1.8
75.00874	16.4
78.95905	4.3
96.96961	8.6
97.93124	5.3
111.08164	14.6
113.92632	2.9
114.93402	11.3
115.00449	1.4
147.11725	1.8
147.16769	1.5
169.12381	3.5
174.99297	2.0
197.11819	54.6
198.12117	3.9
211.13393	4.5
217.05292	1.5
225.04460	1.7
247.38866	1.5
249.08897	5.6
251.05934	2.9
253.07518	2.6
263.05966	4.7
263.20209	2.0
265.07532	19.7
265.18359	1.9
267.09204	13.3
291.19666	16.3
295.08615	10.1
309.10205	100.0
309.20694	57.0
309.44675	1.7
310.10489	7.6
310.21014	6.0
349.13507	2.0
407.13602	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	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24277	0.4
57.03441	0.4
59.01381	100.0
59.30743	0.4
60.00866	0.4
60.01721	1.5
68.02315	0.4
69.25026	1.5
71.01388	8.6
72.71384	0.4
72.99318	0.6
73.02942	2.3
83.01402	0.9
85.02962	3.5
87.00893	0.8
89.02449	7.9
90.87793	0.4
95.01417	0.8
99.00873	0.6
101.02437	7.5
113.02454	4.3
116.92882	0.4
119.03504	4.7
122.95963	0.4
125.02428	0.5
140.13202	0.5
143.03523	0.8
152.74599	0.4
155.10814	0.5
161.04541	3.9
179.05623	2.0
180.37407	0.5
185.11827	1.3
186.99268	0.4
209.11928	0.4
259.07367	0.9
261.13416	0.5
271.07297	0.6
287.10526	1.2
313.08365	1.2
331.09433	0.6
347.17108	22.8
348.17706	1.8
390.51971	0.4
407.10684	0.8
407.19293	1.4
408.19324	0.5
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	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
59.01382	100.0
60.01718	1.3
61.98807	2.8
69.03446	0.5
71.01384	12.8
71.01782	1.0
71.23184	0.6
72.99313	0.8
73.02943	7.3
83.01388	1.5
85.02948	4.2
87.00912	0.9
89.02458	4.2
95.01382	0.8
99.00899	1.1
101.02450	9.3
110.19522	0.6
113.02454	6.0
119.03529	1.6
143.03535	1.3
151.04071	0.8
159.02994	1.1
161.04565	13.7
191.05554	0.8
206.09943	0.6
209.04654	0.8
209.11856	1.0
227.12889	6.3
227.14792	0.7
236.26645	0.6
244.04938	1.2
259.07336	1.4
287.10501	2.3
313.08459	2.6
317.10364	0.7
331.09409	1.4
347.17123	15.8
348.17618	1.2
381.31119	0.6
407.11331	1.7
407.19046	5.5
429.69055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1922
Annotation	Daumone 4
Peak:m/z	Relative Intensity
55.01873	2.9
57.03451	1.4
59.01380	77.6
60.01703	1.5
61.98807	1.9
69.45852	4.6
71.01383	34.7
72.99303	1.3
73.02946	91.7
74.03280	1.5
83.01385	4.1
85.02953	12.9
87.00885	2.5
89.01926	1.8
89.02444	25.7
95.01362	2.6
97.34284	1.0
99.00869	3.9
101.02447	28.2
111.00917	1.0
113.02445	14.9
114.02827	1.3
115.00394	2.5
119.03509	9.4
123.58983	0.8
131.03487	1.3
143.03487	3.8
149.02396	3.6
149.04559	1.7
150.03201	3.0
159.02986	2.6
161.04539	14.3
165.01883	1.4
165.05565	2.9
175.02568	4.5
179.05624	3.9
181.04961	1.1
191.05630	1.5
195.06584	2.0
203.14903	0.9
209.04721	1.1
227.13010	1.5
233.06586	1.6
269.02661	1.2
275.05954	8.3
297.11270	2.1
315.12296	2.1
333.15451	2.5
347.17084	14.9
348.17599	1.3
389.18094	2.0
407.10181	9.2
407.19199	100.0
408.19586	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	407.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15467	2.9
59.01377	22.9
61.98826	7.6
62.18615	2.7
66.22775	3.1
68.34309	3.2
69.03464	4.0
69.16335	15.7
71.01406	3.4
80.91671	5.8
83.05013	3.7
84.02170	100.0
85.02943	4.7
93.03445	3.2
95.05035	11.4
97.06582	6.0
99.92590	4.4
107.05109	3.3
114.51579	3.3
116.92867	3.9
123.04591	3.7
125.09712	10.8
127.07654	5.0
135.08180	4.6
137.73590	3.5
153.09239	8.9
165.12888	4.2
167.10730	6.7
181.12389	4.0
193.08502	7.7
197.11775	5.4
207.09973	5.7
209.11725	14.5
215.92105	3.2
219.10014	11.8
221.11752	8.8
223.13319	7.6
231.10081	19.1
233.11717	3.7
249.11096	9.1
262.53885	3.1
278.11191	9.0
313.17844	5.9
338.10532	9.6
387.75281	4.1
407.28165	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	407.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69636	2.3
57.03463	2.6
59.01370	8.7
61.98826	6.3
62.33793	2.2
63.64880	2.2
69.41930	8.1
70.64075	2.3
71.01376	25.6
78.91875	4.0
80.91677	63.6
83.13177	2.4
95.05028	5.1
99.92535	5.5
123.04515	9.2
125.09712	3.0
127.07650	12.1
127.56638	2.3
131.43227	2.3
133.02972	3.0
134.03726	2.9
139.07681	3.0
141.09071	2.7
153.09172	4.5
163.34521	2.5
171.10263	6.5
178.09888	2.3
185.11807	7.7
186.22430	2.5
197.11852	9.2
207.10036	19.8
209.11821	27.4
219.09941	6.6
221.07935	9.4
233.11627	3.0
260.10239	24.4
278.11359	100.0
279.11697	5.1
289.17883	3.2
307.19138	28.2
325.20166	28.8
326.20477	4.0
329.17249	52.1
330.16895	2.4
338.11966	2.4
347.18060	24.8
348.17517	3.2
372.09894	3.4
378.49582	2.5
404.93506	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2052
Annotation	Ser Phe Arg
Peak:m/z	Relative Intensity
54.44472	2.6
55.91117	2.2
57.03449	3.9
59.01384	27.7
61.98829	8.9
67.45022	2.6
69.03471	4.0
69.30378	12.2
69.50612	2.2
71.01386	5.7
71.05027	6.3
77.04220	2.1
80.91676	19.4
81.03450	2.7
83.05042	4.2
85.06544	2.5
87.04488	2.5
93.03446	3.6
95.05029	6.5
96.96017	4.6
97.02940	7.0
97.06589	5.9
98.21827	4.6
99.92590	5.9
109.06580	29.0
125.06092	2.5
125.09714	4.0
127.07690	4.3
133.06512	3.3
151.11278	5.2
153.12909	2.8
159.27705	2.3
169.12296	6.9
171.13943	5.1
176.80290	2.2
181.12402	4.4
183.13953	3.3
193.12283	4.7
197.11821	33.4
197.26907	2.3
198.12061	3.4
199.13513	3.7
201.09003	2.9
209.11763	4.6
211.13374	30.8
219.10019	100.0
220.10381	6.4
221.11641	5.4
222.52542	2.3
233.11633	16.0
235.13391	3.0
237.09814	10.6
237.15100	3.0
249.11163	11.2
259.13120	5.8
261.11295	3.0
271.13165	8.7
279.10791	3.3
289.18265	3.4
293.12372	4.2
307.19073	3.1
311.16238	5.1
325.20197	81.8
326.20465	7.3
329.17245	3.9
347.18277	6.0
407.20596	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	407.2204
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
54.47800	1.1
59.01369	6.8
69.09274	3.7
69.09685	3.2
78.95907	100.0
81.42545	1.1
93.86318	1.2
96.96986	8.8
97.06664	1.2
121.38931	1.0
126.20813	1.1
150.98029	1.8
152.99593	85.4
153.94057	1.1
153.99968	1.9
171.00648	71.9
174.99307	1.5
249.18629	2.9
265.90717	1.3
298.04199	1.5
309.20935	2.2
407.17480	21.5
407.22110	2.9
408.17682	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2203
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
59.01387	0.6
63.49903	0.5
69.84198	1.3
75.78001	0.5
78.95901	100.0
96.96964	8.1
98.22558	0.7
99.92606	0.9
108.20696	0.5
116.92838	0.6
150.98030	1.9
152.99583	88.5
153.99892	1.4
171.00636	70.8
172.00990	0.9
221.59119	0.6
266.43958	0.5
293.21173	0.6
325.18488	0.9
348.10144	0.6
359.97443	0.5
407.17346	1.1
407.21979	3.5
407.26764	0.8
408.22513	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95813	1.0
59.01379	82.0
69.03456	32.8
69.73625	3.3
71.01380	30.0
73.02972	1.3
82.92945	1.1
85.02947	6.4
89.02445	33.7
91.47231	1.1
93.03461	8.5
95.01385	2.4
97.02946	44.2
97.03568	2.6
101.02444	17.1
102.37311	1.2
105.03439	3.9
108.81933	1.3
113.02464	11.1
119.03505	15.8
123.04531	10.5
133.82858	1.2
141.01903	1.4
149.04781	1.8
149.06075	18.8
155.28581	1.1
161.04578	6.2
167.07162	6.0
179.05693	5.6
193.03264	2.0
193.05046	36.6
194.05370	1.4
216.86166	1.3
225.40514	1.3
255.28183	1.1
284.39630	1.2
297.98065	1.1
349.18683	6.8
373.11386	100.0
374.11707	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	409.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	84.7
60.01708	5.0
61.98824	20.1
69.03454	14.0
70.28465	5.8
70.28792	6.0
71.01389	48.6
73.02948	8.8
75.00877	17.6
76.52405	4.9
83.01392	5.0
85.02949	9.3
89.02454	51.3
93.03465	4.6
97.02943	14.1
97.79290	4.6
98.22575	4.9
99.00880	7.7
101.02436	28.7
111.00884	28.0
113.02464	13.0
119.03519	10.1
121.02883	4.6
121.06621	4.8
123.00876	9.0
123.04562	4.7
125.02403	6.2
131.03516	8.8
149.04568	13.7
149.06073	34.8
150.03223	12.8
161.04568	10.2
165.05562	27.6
185.06664	4.6
191.05688	5.2
193.05067	23.3
211.06088	33.5
229.09837	4.5
251.07912	4.8
277.12817	7.3
308.89453	4.4
320.32367	4.6
349.18671	4.8
350.34058	4.8
361.12817	9.9
373.11426	38.5
409.09061	100.0
409.17020	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.4
59.94571	1.1
61.98830	14.3
61.99137	1.9
84.93878	2.6
99.92587	61.5
100.92623	4.0
100.93357	21.6
115.92087	24.1
116.92863	100.0
117.92870	4.7
160.84253	3.3
197.11836	3.1
214.68388	1.1
260.05212	1.7
278.06110	4.0
281.04819	4.8
293.05103	1.4
296.07211	1.6
309.20697	1.8
322.05130	23.0
323.05414	2.4
373.10907	3.2
391.12405	1.7
409.13251	33.5
410.13339	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	409.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64184	1.1
59.01366	5.1
61.98829	24.9
62.69252	1.2
78.95917	1.3
99.92585	65.8
100.92603	3.6
100.93349	19.2
102.19794	1.2
103.77442	1.3
107.28577	1.2
111.08161	1.9
115.92081	31.7
116.92860	100.0
117.92889	6.0
140.58971	1.2
184.52489	1.2
193.12483	1.7
197.11803	3.6
198.12141	1.8
260.05014	2.4
264.48965	1.3
276.04321	1.4
278.06033	5.7
281.04788	2.8
293.04773	2.0
296.06912	1.3
309.10220	2.2
309.20700	5.4
310.10504	1.6
311.22141	5.4
312.07608	2.8
322.05182	26.1
323.05374	4.1
326.14334	1.2
373.11145	3.5
391.12299	2.5
409.07925	2.3
409.13260	32.6
409.18564	2.5
410.13260	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	409.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03409	0.9
59.01384	5.4
61.98819	2.0
64.93402	0.8
68.01440	1.0
69.03446	2.2
71.01372	1.1
78.67947	0.7
79.95740	3.9
80.91676	4.6
85.02940	2.3
95.95226	1.0
96.96011	8.4
97.02960	4.1
98.21796	1.7
99.92587	1.7
109.06613	4.6
111.00910	0.9
116.05055	2.4
118.06677	0.7
121.01476	0.8
121.06573	2.7
131.48691	0.9
133.02948	1.0
135.04478	0.9
137.09741	1.8
138.05608	1.6
141.09265	0.9
142.06622	5.2
161.02470	1.3
165.09149	1.7
165.12843	1.4
167.06149	100.0
168.06509	5.9
169.07707	1.7
171.10295	4.5
180.06924	8.9
192.10242	1.3
193.08482	5.4
194.09856	1.4
205.19609	0.8
211.13362	2.2
217.07610	1.4
219.09253	1.1
220.11407	1.0
221.11583	1.3
229.14430	1.6
231.09317	3.3
233.08730	1.2
233.11572	9.4
243.09320	1.1
245.10846	3.6
246.09286	2.0
246.11456	1.3
247.10063	1.5
247.12373	7.2
251.08958	0.8
251.11426	3.1
259.08786	4.7
259.12448	1.1
260.09494	5.5
261.10492	3.5
261.13937	7.5
262.12299	2.8
263.12003	0.8
268.03799	1.0
269.04538	1.1
271.12408	1.7
273.10397	4.2
274.11069	3.0
277.09869	1.1
285.04037	1.2
287.12097	1.4
289.13480	43.6
290.13770	2.7
291.11487	2.3
305.12958	7.8
306.13599	2.6
321.16080	40.1
322.16309	4.0
327.21796	10.3
331.18631	1.1
333.12418	5.4
349.19846	11.5
350.20245	0.9
365.15048	21.8
366.15366	2.5
377.11322	1.0
403.34863	0.8
409.13925	29.0
409.19168	11.3
410.14252	2.6
410.19470	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.1
56.36251	0.5
57.03445	1.1
58.00597	1.7
59.01379	100.0
60.01706	1.2
61.98824	2.6
69.03451	6.1
69.34624	1.6
69.35032	0.8
70.87632	0.4
71.01381	63.0
72.99319	1.3
73.02946	20.6
74.03291	0.4
75.00903	0.9
81.03506	0.6
83.01389	3.1
85.02948	10.3
87.00867	2.6
88.04180	0.6
89.02445	96.2
90.02781	1.4
93.03452	1.0
95.01395	1.5
97.02951	7.7
98.90363	0.5
99.00886	21.9
101.02446	42.3
102.02799	0.8
111.00910	0.7
113.02451	12.7
114.02745	0.5
115.04026	1.2
115.07669	0.8
119.03497	6.8
123.04502	1.6
125.02453	4.4
131.03505	18.5
132.03883	0.6
143.03516	2.6
149.04556	57.0
150.03235	2.0
150.04927	1.0
151.79683	0.5
159.03009	0.7
161.04567	6.9
165.05576	3.1
167.07181	1.2
179.05606	2.3
187.09776	1.1
191.05617	13.7
193.05058	5.2
195.06660	1.2
221.06693	1.5
233.06686	0.8
251.07738	3.3
251.24989	0.5
258.54932	0.5
277.12930	10.0
278.13217	0.8
293.08777	0.7
349.15240	0.9
349.18643	2.6
373.11389	14.3
374.11868	1.4
404.92627	0.5
409.17099	19.6
409.22592	1.1
410.17493	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	409.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	20.2
61.98815	9.3
69.03427	6.7
71.01381	57.1
76.57324	5.9
87.12037	6.0
88.28073	5.6
89.02396	7.5
93.03440	15.1
97.02975	8.0
98.21763	13.9
101.02436	10.7
109.02978	17.5
115.00373	42.8
125.60994	7.5
133.01472	35.1
133.02963	22.7
134.02818	9.7
134.03752	100.0
134.37556	6.4
135.04526	47.2
137.02477	38.3
145.85486	5.9
151.03984	9.0
161.02473	12.5
171.10231	8.9
173.04524	17.2
177.01892	22.2
178.02713	51.5
179.03525	27.5
191.05583	7.9
203.64426	5.9
228.87480	8.1
231.10286	15.6
264.48990	8.6
275.09259	25.9
293.10245	69.5
409.19913	28.4
417.21674	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	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61512	0.9
57.03457	1.9
59.01380	100.0
61.98832	4.1
64.69415	1.1
68.99093	0.9
69.03445	2.3
69.44936	4.4
71.01007	2.1
71.01383	28.9
71.01784	1.6
72.99313	1.0
73.02936	4.8
75.10009	1.0
82.88203	1.0
83.01385	2.5
85.02957	7.2
87.00871	2.7
88.12447	0.9
89.02445	33.7
95.01398	2.3
97.02961	2.8
99.00882	1.2
100.97628	1.0
101.02448	22.4
103.10024	1.0
111.11249	1.0
113.02453	15.0
116.92867	1.3
119.03500	12.2
122.93971	1.0
123.70248	1.0
125.02416	1.0
131.03561	1.9
143.03499	3.7
159.02937	1.3
161.04565	12.0
179.05620	10.5
185.54254	1.0
187.13402	2.9
193.04903	1.4
194.02972	1.0
195.06470	0.9
235.99678	1.1
277.12927	1.6
331.17545	2.3
349.18658	49.2
350.18936	4.9
363.16571	3.5
373.11322	5.8
409.20734	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	409.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
57.03459	1.3
58.78947	0.5
58.88951	0.6
59.01379	100.0
60.01696	1.0
69.03465	1.2
69.33643	2.0
69.34044	1.4
71.01383	20.3
73.02943	7.4
75.00906	0.7
76.55304	0.6
83.01415	2.3
85.02949	8.0
87.00871	1.3
89.02445	10.2
89.02943	0.9
95.01394	1.5
97.02937	1.6
99.00883	1.5
101.02445	17.5
113.02448	8.3
119.03515	4.5
132.37691	0.7
143.03525	1.8
159.03011	1.7
161.04564	15.8
179.05626	7.2
187.13458	1.1
221.06694	1.7
306.26038	0.6
349.18652	36.3
350.19104	2.7
373.11508	2.8
409.16840	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	409.208
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75424	0.7
59.01379	100.0
60.01741	1.3
61.98833	4.3
69.95387	1.5
69.95731	0.8
71.01380	21.8
71.05028	0.9
73.02938	5.1
83.01400	2.8
84.91470	0.6
85.02957	7.4
87.00878	1.5
89.02448	19.9
95.01424	1.0
97.02974	1.0
99.00904	1.4
101.02446	15.7
101.03085	0.9
113.02443	10.5
119.03496	9.9
121.65371	0.6
131.03551	1.4
143.03529	2.3
149.04608	0.9
157.83501	0.7
159.03003	1.1
161.04587	10.8
176.36490	0.7
179.05632	9.2
191.05635	0.9
232.94530	0.8
247.15585	0.7
263.77948	0.7
277.12927	22.0
277.15857	1.3
278.13272	0.9
331.17621	1.4
349.11688	1.2
349.18594	8.4
363.16556	1.4
409.16382	1.1
409.21097	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	409.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
59.01379	100.0
60.01721	1.0
61.08860	0.5
61.98826	1.0
69.55521	1.1
69.55906	1.0
71.01382	15.8
71.88983	0.5
73.02949	5.0
83.01407	1.7
85.02963	4.8
89.02447	12.0
95.01409	0.7
97.02979	1.5
99.00876	3.1
101.02446	12.5
105.86572	0.5
113.02438	6.0
119.03505	1.6
125.02440	0.6
131.02626	0.5
131.03526	1.7
143.03500	1.1
149.04585	7.0
149.05913	0.9
159.03029	1.2
161.04564	12.4
162.05075	0.6
178.42387	0.4
178.49620	0.4
179.05727	0.7
187.13411	1.0
191.05637	1.7
193.05087	1.0
349.18680	27.4
350.18976	2.5
373.11429	1.5
409.17133	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	409.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	2.3
57.04374	1.3
59.01375	7.7
62.51298	1.3
69.03476	2.3
71.01373	4.1
74.65781	1.3
79.95734	8.2
80.02724	1.5
80.91684	40.2
83.05039	2.7
84.02180	2.0
85.02967	6.4
96.96002	20.9
97.02962	5.9
97.06608	2.9
99.92590	5.4
115.92101	2.9
125.09750	3.0
127.11298	2.2
133.02989	1.6
135.04497	1.7
137.09747	5.3
163.11246	2.3
165.12852	21.2
167.14436	2.1
171.10263	15.8
173.04489	1.8
179.10538	3.6
183.13937	2.5
193.08449	21.9
193.12186	4.0
203.10478	2.4
205.12108	5.9
207.10048	16.9
209.11781	1.9
211.13394	20.4
215.10796	1.9
219.10048	4.2
221.11687	10.8
222.08708	2.3
223.11807	1.4
229.14452	15.8
231.10138	9.5
233.11595	95.6
234.11922	4.8
243.10182	1.7
249.11336	11.0
251.11420	27.7
252.11699	4.8
261.11136	25.1
278.11539	2.2
279.10995	2.9
291.19858	3.3
313.17963	6.0
327.21790	52.8
328.22040	3.3
329.86673	1.7
331.18808	14.9
349.19934	100.0
350.20340	8.3
371.14487	1.7
409.19150	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	409.236
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
61.98833	0.7
70.46597	1.0
74.11726	0.6
78.95901	50.0
96.96956	6.8
118.94497	0.5
150.98024	1.2
152.99585	100.0
153.99948	1.4
171.00655	3.8
241.21841	0.6
255.23277	1.2
292.13596	0.5
409.23624	8.0
409.29544	3.0
410.23849	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31292	1.1
61.19193	0.9
61.93637	1.0
69.43821	3.2
69.44210	1.6
96.96009	12.5
99.91966	2.2
99.92587	31.8
99.93247	1.8
100.92603	1.7
100.93326	1.8
104.02390	1.1
107.75924	1.2
108.19640	0.9
115.92094	5.8
116.92847	5.6
118.89977	100.0
119.89997	4.5
119.90746	1.7
134.89468	2.4
135.90244	10.1
150.88885	1.1
217.83725	1.0
226.03134	1.2
241.15150	1.0
313.17908	1.4
370.80750	1.4
374.11844	5.7
375.12241	1.3
392.08533	2.5
410.09607	22.7
411.09897	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	410.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.7
60.22983	3.1
61.98829	100.0
62.21829	2.9
69.55186	8.0
69.55571	6.5
99.92597	25.4
100.93395	4.9
104.33047	4.0
109.69035	4.4
115.92073	9.5
116.92853	32.8
175.89728	3.2
177.81778	3.0
284.03308	4.7
309.10303	6.1
310.10602	12.8
311.22260	4.4
312.22653	16.4
322.05225	7.6
409.90665	11.6
411.14786	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94654	6.1
60.38966	5.4
61.98827	100.0
63.12342	6.4
69.43520	23.1
98.07266	5.4
98.22622	13.4
99.92603	11.3
116.92865	23.8
201.92395	5.3
293.21191	11.1
307.01630	6.9
384.44540	6.2
401.93094	5.6
409.90100	6.6
411.15045	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	411.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93465	3.5
57.03465	3.2
57.13166	3.8
59.01379	100.0
61.98834	24.0
69.03458	8.5
71.01379	64.9
73.02943	19.4
83.01416	3.6
85.02939	22.8
87.00877	11.1
89.02442	66.5
89.19951	2.9
97.02961	4.1
99.00891	17.8
101.02450	53.7
104.75982	2.9
111.00872	3.8
113.02469	26.4
117.05628	3.3
119.03511	12.6
125.02403	4.4
129.02046	3.4
131.03502	8.3
143.03526	7.0
145.02887	5.9
147.04526	3.5
149.04549	19.6
159.02895	3.1
161.02437	9.5
161.04559	13.5
161.05965	5.7
162.03224	10.5
163.12891	2.9
168.99843	3.7
177.05528	6.1
179.05626	11.6
191.05621	8.6
195.06581	4.4
213.07658	9.2
222.03908	4.6
249.00171	6.2
279.10986	5.5
279.14191	5.6
307.04959	3.8
351.05331	5.2
351.12811	5.5
351.16681	12.2
357.11835	10.0
369.14038	10.0
375.12946	27.8
411.03598	3.4
411.10239	22.8
411.15097	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	411.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
59.13762	8.2
61.98832	25.3
69.03461	11.4
69.28336	29.2
69.28731	22.4
71.01385	40.9
85.02964	11.9
87.00879	18.5
89.02447	71.6
95.05063	10.8
101.02441	23.4
113.02464	31.2
119.03503	37.5
145.03015	11.0
161.02472	13.9
161.04565	16.6
162.03255	27.6
177.05559	26.0
179.05579	67.1
191.05632	10.6
192.16547	8.6
219.88205	9.3
249.00255	9.3
351.16409	24.8
357.11902	40.0
375.12885	32.0
411.10522	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64878	6.2
59.01377	32.3
61.98837	100.0
69.03399	8.7
71.01385	20.7
78.42317	6.3
85.02943	7.2
89.02444	17.3
117.03422	9.3
119.03495	8.9
132.04523	11.9
133.34042	6.6
145.03003	7.7
152.07170	15.6
179.05602	8.6
191.05615	11.4
341.11746	9.9
351.20328	8.7
364.58960	6.9
373.13843	12.5
375.16901	10.8
377.51706	7.7
411.12573	7.5
428.64636	6.8
431.07715	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	411.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14048	0.6
55.01874	1.6
57.03462	1.7
59.01379	100.0
60.01712	1.3
61.98828	2.8
63.35625	0.5
63.70865	0.5
69.65892	2.2
71.01382	21.8
73.02952	8.8
83.01385	3.7
85.02953	10.3
89.02464	4.2
95.01396	1.8
97.02965	1.0
99.00905	2.7
101.02444	21.8
101.03096	1.1
111.00912	0.6
113.02449	9.0
119.03539	1.2
125.02505	0.8
143.03528	1.5
159.03011	2.6
161.02510	1.2
161.04550	17.5
161.05821	1.3
162.04895	0.9
189.15009	2.1
221.23619	0.6
221.68718	0.6
237.75822	0.8
254.87096	0.6
279.14481	13.2
280.14877	0.7
311.14362	0.7
351.20224	44.3
352.20636	4.6
363.44769	0.7
375.16736	2.2
411.18665	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	411.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14048	0.6
55.01874	1.6
57.03462	1.7
59.01379	100.0
60.01712	1.3
61.98828	2.8
63.35625	0.5
63.70865	0.5
69.65892	2.2
71.01382	21.8
73.02952	8.8
83.01385	3.7
85.02953	10.3
89.02464	4.2
95.01396	1.8
97.02965	1.0
99.00905	2.7
101.02444	21.8
101.03096	1.1
111.00912	0.6
113.02449	9.0
119.03539	1.2
125.02505	0.8
143.03528	1.5
159.03011	2.6
161.02510	1.2
161.04550	17.5
161.05821	1.3
162.04895	0.9
189.15009	2.1
221.23619	0.6
221.68718	0.6
237.75822	0.8
254.87096	0.6
279.14481	13.2
280.14877	0.7
311.14362	0.7
351.20224	44.3
352.20636	4.6
363.44769	0.7
375.16736	2.2
411.18665	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	411.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21033	2.5
54.58963	2.5
57.03468	2.8
59.01371	11.2
61.98829	3.4
66.95261	2.5
67.00468	2.3
69.03455	2.7
71.01369	2.9
78.02168	2.5
80.91682	39.5
99.08144	5.4
99.92576	5.8
125.09706	3.9
127.11324	3.5
133.02992	2.9
135.04509	7.1
139.11316	16.0
139.66641	2.3
161.02422	10.8
163.01146	2.5
165.08989	4.6
165.12875	21.4
171.10286	18.3
173.04536	3.3
179.03479	5.7
191.05595	7.8
193.08420	33.0
201.93719	2.6
205.11981	3.6
209.11868	3.1
211.13400	22.0
215.10516	2.5
219.10066	3.0
221.11615	10.2
229.14497	13.2
231.09967	8.3
233.11600	98.6
249.11035	11.2
251.11490	17.9
251.12566	23.1
283.13480	3.5
329.23352	64.1
330.23578	6.1
339.18265	2.5
345.79932	3.1
351.21524	100.0
352.21658	8.8
389.31845	3.0
411.22507	7.4
412.15424	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	411.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68490	5.0
59.01373	17.4
61.98819	54.3
65.21676	5.0
69.39298	9.8
69.39676	12.5
71.01372	6.6
75.00874	58.5
89.02444	6.5
99.92572	17.3
100.92630	6.7
105.82520	5.1
115.92041	10.3
116.92873	31.8
117.92938	7.4
118.92676	9.0
121.10228	19.8
122.10648	6.1
135.03012	71.7
171.10245	48.3
231.21098	6.1
256.34427	5.1
275.20111	88.7
276.20645	9.6
293.21246	100.0
294.21503	10.2
324.05627	6.2
411.14264	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41192	0.9
58.84853	0.8
59.01379	13.5
60.40604	0.9
61.98833	8.4
71.01384	3.6
72.99310	2.9
75.00872	41.1
89.02439	5.7
99.92586	3.3
100.92584	2.0
101.92419	2.8
109.98827	1.0
115.92016	1.1
116.92856	3.6
117.01952	1.9
117.91924	1.0
117.92829	1.7
118.92686	3.6
119.45412	1.0
128.60432	0.9
135.02998	45.2
136.03345	1.1
160.84160	1.2
162.83885	3.3
195.13863	4.6
196.14432	1.0
223.13419	5.5
233.06079	1.0
239.85486	1.0
256.13199	1.7
275.20218	6.0
293.21225	100.0
294.21582	10.4
313.09308	1.5
324.05161	2.0
411.13681	4.6
411.26743	0.9
411.90555	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	411.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.97049	2.2
61.98807	2.3
63.86850	1.7
68.65322	2.0
79.98102	5.4
82.13470	1.7
83.32603	1.8
85.31953	1.6
113.18919	2.2
201.96590	2.3
279.23373	3.6
291.19666	2.5
411.31064	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	411.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07738	0.4
55.11781	0.4
59.01378	100.0
60.01702	0.8
69.55196	1.1
69.55599	0.9
79.98107	0.5
105.59879	0.4
112.39503	0.4
115.23129	0.5
118.81902	0.5
141.09329	0.6
251.15849	0.4
406.22260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70124	1.2
53.37884	1.2
56.25934	1.3
61.98822	4.0
69.35729	2.3
69.36102	2.4
70.47393	1.4
96.52036	1.3
96.96001	13.0
99.92582	71.4
100.92662	3.2
100.93339	2.9
102.99283	1.2
103.91277	1.7
115.71171	1.3
115.92075	9.1
116.86910	1.3
116.92854	10.0
118.89975	100.0
119.89977	3.4
119.90771	4.9
134.89455	7.5
135.90240	22.5
141.93593	1.5
142.20454	1.1
157.49190	1.4
162.27086	1.3
197.95612	1.4
216.06120	1.3
218.10849	1.4
219.92191	1.4
376.13440	15.5
377.13284	2.5
412.11111	88.0
413.11243	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	412.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23818	0.7
61.46061	0.7
61.98817	1.2
62.19161	0.8
74.04736	0.8
75.00889	1.3
79.98107	1.1
92.85592	0.7
94.92520	2.0
96.96013	45.6
97.93147	1.3
99.92584	81.2
100.92687	4.6
100.93360	4.5
103.91322	1.0
115.92081	12.5
116.92071	1.7
116.92854	17.3
118.89979	100.0
119.89990	3.4
119.90771	6.6
134.89470	29.3
135.89282	1.3
135.90260	25.1
135.91309	1.2
136.90240	1.2
141.93643	1.5
150.88945	1.1
260.93961	0.9
325.09122	1.0
339.06903	1.1
340.11313	13.9
341.11588	1.5
343.06445	2.4
354.09229	1.9
356.10645	1.4
357.07855	1.1
358.12427	15.1
359.12500	1.4
372.10297	2.7
374.13840	0.9
376.09100	3.3
376.13434	35.2
377.13605	5.0
394.09888	2.5
395.10187	0.9
411.23550	1.4
412.11124	24.1
413.11136	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	412.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	2.0
65.81920	0.5
69.12558	3.9
78.95887	0.8
79.95717	0.7
79.98109	1.2
84.93851	0.9
89.59135	0.6
96.96014	40.4
96.96958	1.3
99.92583	42.9
100.92599	2.2
100.93369	4.1
102.52749	0.6
112.12535	0.5
115.92085	8.4
116.92857	10.5
117.92842	0.8
118.89979	100.0
119.89983	4.0
119.90784	4.7
120.25978	0.7
134.22583	0.6
134.89476	27.7
135.89423	0.9
135.90268	12.7
140.90793	0.5
141.93582	1.0
179.94347	0.6
249.66951	0.6
278.05972	0.8
284.59979	0.6
307.06445	3.8
308.07233	1.1
321.04398	1.4
322.05066	1.7
325.03217	1.5
329.85022	0.7
339.05481	1.3
340.11533	2.8
357.01938	0.9
358.12408	21.9
359.12631	3.1
372.10382	2.1
375.08835	0.6
376.08975	3.0
376.13419	29.4
377.09323	0.9
377.13577	3.9
387.36288	0.5
410.50775	0.6
412.11166	8.1
413.11121	0.9
414.21741	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.2
59.46022	0.4
61.98829	100.0
66.95840	0.4
69.03484	0.5
69.35120	1.0
69.35530	1.0
71.01377	2.9
73.02955	1.3
85.02966	1.0
87.00906	0.5
89.02465	1.5
96.96031	0.8
101.02415	2.6
113.02483	0.7
113.90749	0.4
119.04986	0.5
123.04560	0.4
135.04564	1.2
151.07753	0.5
153.05666	0.5
161.02512	0.9
161.04599	0.7
179.03537	1.1
180.01262	0.7
180.06566	0.4
189.05664	0.7
221.10275	3.5
232.04500	1.5
251.02573	0.5
275.25696	0.4
281.06424	0.4
353.14517	6.3
353.18439	0.6
375.13107	0.8
376.08328	0.4
376.13507	1.2
377.14890	0.7
413.11972	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47388	26.6
59.35127	27.2
61.98821	100.0
69.96933	45.7
72.65479	33.2
86.78168	29.0
115.98953	26.0
124.28394	30.0
295.22931	30.8
350.81082	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	19.4
70.06701	8.0
70.07031	13.2
80.02006	7.2
93.35653	7.8
96.96026	50.5
99.92593	90.5
115.92068	10.9
116.92863	15.8
118.89972	100.0
134.89458	42.8
135.90253	35.6
157.90349	7.6
159.60336	7.0
235.01416	7.0
358.12317	27.4
359.26660	8.8
376.13394	57.2
412.11142	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	413.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27196	0.5
53.98194	0.4
57.02700	0.5
59.01390	2.0
61.43850	0.5
62.60541	0.5
70.44399	1.0
71.01392	0.8
74.75016	0.5
82.35166	0.5
89.02444	22.5
93.64584	0.5
101.02441	0.8
105.03514	0.5
107.05019	0.6
108.32706	0.5
117.03464	2.5
119.05024	0.7
123.04488	0.7
132.02136	2.6
133.02963	17.0
134.03325	0.6
135.04529	28.8
136.04843	0.9
145.02971	3.2
160.01671	3.8
161.02448	100.0
162.02789	3.8
163.04042	0.7
164.89777	0.5
170.41217	0.5
179.03499	29.0
180.03841	1.5
251.05620	16.5
252.05937	1.1
323.07712	44.1
324.08112	3.1
324.94672	0.5
341.08737	14.1
362.80780	0.5
413.10748	20.2
414.11032	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	413.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	2.7
55.61988	2.5
56.44888	2.4
59.01379	33.4
61.98828	33.7
69.03449	4.2
71.01378	27.7
71.44681	2.6
73.02953	17.6
83.01374	6.1
85.02965	15.8
87.00887	4.8
89.02445	18.2
96.96019	4.7
97.02921	3.8
99.00876	3.9
101.02448	28.3
109.02912	3.1
113.02447	16.7
117.05566	4.1
119.03521	5.9
119.05010	5.6
133.02937	6.9
135.04512	15.4
135.47885	2.6
143.03539	3.0
145.11913	2.1
149.06093	3.3
161.02451	20.0
161.04559	12.3
161.06088	6.9
163.04016	9.3
171.24814	2.9
177.05669	4.7
179.03481	12.3
179.05629	4.1
189.05568	68.6
191.03510	2.4
191.05650	9.0
207.06625	7.4
213.07744	6.0
221.04564	3.4
221.10281	43.8
251.05545	19.8
281.06625	10.6
326.09122	3.2
351.10846	4.2
353.02866	2.6
353.14502	100.0
354.14911	5.1
363.88861	2.9
375.06937	14.9
375.13016	8.6
377.14340	6.1
413.02676	4.3
413.12000	55.0
414.12155	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	413.122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44973	4.3
56.13722	4.8
59.01378	69.4
61.98832	100.0
64.35088	4.5
69.03449	9.8
71.01386	37.6
73.02969	7.5
82.95428	17.6
85.02943	17.9
87.00882	7.0
89.02446	23.9
93.03470	7.8
96.95999	7.2
99.00869	6.2
101.02440	28.5
109.02938	5.6
113.02440	18.1
117.05580	11.3
119.03480	8.4
119.04981	18.7
123.08139	16.7
133.02951	15.4
135.04527	37.7
149.06085	6.9
161.02466	48.4
161.04538	12.0
163.03960	26.7
167.07101	14.2
168.35045	4.6
169.08688	8.5
177.05576	8.5
178.22516	5.3
179.03488	49.2
179.05017	6.9
189.05566	62.6
191.03757	5.0
191.05605	28.5
197.08151	22.2
207.06627	9.2
207.08661	10.5
213.07697	9.8
221.04604	11.5
221.10320	11.1
251.05626	43.3
251.11435	5.5
281.06659	33.6
353.14468	18.4
353.18396	6.7
375.07162	28.5
375.12750	18.2
377.14462	44.8
381.60687	5.1
413.01880	8.2
413.11978	71.1
414.12125	6.2
414.18890	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	413.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45612	0.4
58.02977	3.1
59.01367	0.4
65.65627	0.4
69.25021	0.9
69.25408	1.3
73.04064	1.5
82.06654	0.5
84.04575	0.7
84.09745	0.4
87.05638	21.4
88.89507	0.5
97.04079	0.5
99.05653	0.4
101.07189	1.3
105.60252	0.4
110.02471	2.2
111.05653	2.0
112.04070	1.0
116.36743	0.5
126.06752	2.1
127.05125	1.0
129.06705	25.5
129.10355	1.1
130.08739	49.6
131.09099	1.3
139.08762	0.5
140.07156	1.1
141.10323	0.8
143.08298	0.7
143.11903	2.4
144.07784	5.0
151.08763	0.6
152.07263	0.5
157.13510	0.8
168.07761	1.6
168.09048	3.6
169.09845	1.6
186.08847	1.8
187.07277	0.6
196.14531	1.5
199.18150	12.3
200.18593	0.7
212.42905	0.4
214.15619	2.3
221.92557	0.5
225.16125	2.0
238.15593	1.4
243.17137	5.8
244.17397	0.5
256.20276	7.1
257.20813	0.5
266.86166	0.4
281.16174	0.6
282.14737	0.5
300.19281	0.7
327.23959	4.2
369.24915	0.8
371.23007	0.8
413.24048	100.0
414.18860	0.9
414.24307	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	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88292	0.6
57.79294	0.7
59.01379	100.0
60.01696	0.8
61.98816	0.7
63.43675	0.8
63.46528	0.6
64.76775	0.6
69.96410	2.0
76.12761	0.6
80.54092	0.6
85.74126	0.6
88.93890	0.7
96.96040	1.1
98.22145	1.5
136.27632	0.6
163.63414	0.6
288.18069	0.7
347.86560	0.7
363.06863	0.8
388.49097	0.7
421.58298	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21762	3.5
58.43989	3.5
61.98837	4.5
67.46726	2.9
71.04004	3.3
96.96008	5.1
120.89692	3.7
129.44215	3.3
142.42952	3.4
151.07570	4.7
165.12936	4.5
165.50244	3.5
179.10686	4.2
192.11574	9.3
195.10231	7.0
205.12358	4.7
243.33226	3.1
261.18652	4.9
293.17789	4.0
293.21222	7.6
301.25415	3.8
318.84479	3.6
345.24350	82.2
346.24698	6.0
354.74954	4.1
363.25302	10.4
377.26920	58.3
378.27222	6.5
395.28006	100.0
396.28348	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	414.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42364	1.1
61.98828	3.8
69.57145	2.9
69.57507	2.4
79.95737	2.4
94.92509	3.8
96.86908	1.4
96.96008	74.9
99.92581	100.0
100.92590	4.9
100.93359	6.3
102.80279	1.3
103.91313	1.9
108.73009	1.2
115.92078	20.8
116.92851	28.4
116.93689	1.5
118.89972	88.6
119.90015	2.5
119.90749	10.8
134.89474	70.7
135.90274	27.4
141.93619	2.3
143.95871	1.5
151.13580	1.5
169.58813	1.2
189.86395	1.2
190.74336	1.3
216.49629	1.2
278.06073	2.1
298.86536	1.3
321.07886	1.9
342.12900	3.2
360.13965	44.2
361.14243	7.8
363.09100	1.8
374.11862	5.5
378.10565	6.8
378.14984	80.1
379.15161	12.4
392.12845	5.3
396.11652	3.8
401.84451	1.6
414.12692	18.1
415.12955	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	414.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
71.01392	48.9
71.70478	22.3
84.05870	17.3
85.02937	20.4
101.02443	45.7
113.02438	38.7
242.31538	20.9
243.11247	20.3
371.20639	57.9
415.19330	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91475	1.0
59.01381	36.0
65.11491	1.0
67.77145	1.1
69.03455	42.7
69.61243	2.6
70.36024	1.0
71.01386	18.3
72.99277	1.2
73.02951	1.2
81.03471	1.7
85.02943	3.8
89.02438	14.5
91.05539	1.1
93.03441	1.4
95.01364	1.9
95.05034	16.8
99.00912	1.2
101.02444	10.4
106.04236	1.2
108.02177	54.9
109.02959	65.6
110.03259	2.3
113.02442	7.0
117.05474	1.5
119.03527	7.1
121.02927	3.6
121.06583	6.7
125.02454	1.2
129.07095	1.4
135.17090	1.1
139.04022	4.1
143.66319	1.0
147.02969	1.8
147.08147	4.6
152.01154	65.1
153.01949	33.3
154.02223	1.9
164.19914	1.2
165.09207	9.9
169.31612	1.1
179.05609	1.1
191.07164	12.8
196.08102	1.0
295.93591	1.3
301.13190	1.1
315.07208	4.3
357.08200	7.8
371.13446	28.8
372.13794	2.6
397.11295	3.0
415.12448	100.0
416.12732	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	415.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33722	0.3
59.01380	6.3
69.03456	2.3
71.01379	4.7
73.02954	1.5
74.14542	0.3
83.01381	0.5
85.02935	2.1
87.00866	0.3
89.02444	2.9
91.04016	0.8
95.05038	1.0
101.02442	4.0
107.04982	0.3
108.02117	0.5
109.02940	0.5
113.02453	1.8
117.03443	0.8
119.03524	0.5
121.06579	0.6
132.02199	1.3
133.02956	31.9
134.03235	0.9
135.04521	9.5
136.04839	0.5
146.03738	2.7
153.01907	0.4
157.57632	0.3
159.03035	0.4
161.02441	100.0
162.02785	4.1
162.78552	0.3
164.04790	1.6
165.09302	0.4
179.03500	4.7
179.07111	4.9
180.03867	0.6
191.05621	0.4
191.07149	0.8
253.09435	0.3
264.36725	0.3
276.36447	0.3
276.64029	0.4
363.77176	0.3
371.13492	0.6
378.51337	0.4
415.12445	65.0
416.12720	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1609
Annotation	2-Phenylethyl O-alpha-arabinopyranosyl-(1->6)-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01882	0.8
57.03447	0.7
58.00588	1.3
59.01377	94.8
60.01711	0.9
69.03452	1.0
69.09830	2.5
71.01379	54.9
72.01710	0.9
72.99302	0.7
73.02943	20.4
83.01390	1.7
85.02940	5.7
87.00862	0.8
89.02442	100.0
90.02794	1.3
95.01397	1.4
97.02944	1.4
99.00880	24.9
99.04500	0.5
100.01216	0.6
101.02443	34.7
113.01695	1.0
113.02450	11.9
115.04002	0.8
119.03500	7.0
125.02460	4.6
131.03506	17.5
132.03879	0.6
139.96910	0.5
143.03471	2.7
149.04556	54.5
150.04839	1.1
161.04596	2.2
179.05632	3.4
191.05617	13.8
219.99101	0.5
221.06520	1.8
223.80812	0.4
227.76569	0.5
233.06569	0.6
251.07761	3.1
415.16177	8.6
416.15985	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1611
Annotation	2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01886	1.8
56.93808	0.9
57.03440	1.7
58.00602	1.2
59.01379	96.7
60.01704	0.8
68.26186	0.9
69.03473	1.1
70.61046	0.8
71.01382	71.7
73.02946	19.6
73.03356	1.1
83.01391	2.8
85.02953	10.9
87.00891	2.2
88.84492	0.7
89.02445	100.0
90.02776	1.1
93.03459	1.2
94.57591	0.8
95.01382	1.5
97.02981	1.8
99.00877	18.6
101.02443	44.2
113.02446	16.8
115.04034	1.4
119.03495	11.3
125.02439	4.6
131.03511	18.8
143.03506	3.0
144.64171	0.8
149.04562	55.9
150.04852	1.3
159.17924	0.8
161.02446	1.1
161.04576	8.4
173.04546	2.7
179.05603	5.6
179.07034	1.4
191.05634	14.1
192.05930	1.1
221.06569	1.9
233.06665	1.4
246.19122	0.9
251.07790	2.3
283.11841	12.4
284.12189	1.0
415.15979	17.7
415.20972	1.4
416.16537	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	415.2126
Annotation	Hellebrigenin
Peak:m/z	Relative Intensity
59.01389	1.0
61.98819	3.7
68.99796	1.0
71.01380	3.3
71.09159	1.2
76.59014	0.9
97.02937	10.9
99.80655	1.1
101.02456	1.3
104.56084	0.8
109.02871	1.0
133.06577	2.6
146.03723	3.1
147.04510	3.7
159.04584	4.4
160.05251	1.6
161.06094	5.3
165.05551	5.7
172.05321	6.4
173.06071	4.3
174.03255	2.9
174.06853	3.5
175.04060	5.0
175.07597	2.8
185.06049	4.4
186.06865	3.8
187.03877	1.0
187.07622	3.2
188.04707	1.5
189.05579	8.8
196.05255	1.9
197.06047	3.1
199.04103	1.9
199.07640	7.0
200.04788	30.0
200.08392	5.2
201.05360	3.2
201.09190	5.3
203.07123	5.3
204.07898	9.7
205.08368	1.1
209.06039	1.3
211.07623	2.3
211.13399	4.0
213.05595	8.1
214.06244	4.6
214.09880	4.4
215.07048	3.1
224.08493	1.1
225.05531	4.4
225.09196	3.7
226.06323	1.2
227.07094	7.2
227.10754	1.6
228.07878	16.2
229.08687	48.7
230.08978	2.9
239.07097	4.6
243.06596	1.8
243.10181	1.2
253.08623	2.2
254.09506	4.0
255.10529	1.3
255.13841	1.5
269.11734	1.6
272.10504	9.6
281.11749	1.3
283.13342	1.1
287.12888	2.4
295.17279	1.0
297.14978	4.1
299.12918	4.2
299.16104	1.1
307.13388	1.6
315.16113	1.5
318.14731	2.6
323.16501	1.7
324.13635	1.5
325.14401	9.9
325.18103	4.7
335.16415	2.1
341.17554	1.4
341.23260	1.9
342.14621	4.8
343.15451	10.0
344.16168	1.1
351.19601	2.0
353.17572	41.3
354.17865	4.2
361.18219	1.5
367.15256	1.7
368.16177	3.7
369.20642	2.5
371.18649	36.1
372.18982	4.4
379.14621	1.7
379.19113	18.2
380.19531	2.2
386.17285	2.5
397.09589	2.0
397.20178	37.2
398.20560	4.6
415.21259	100.0
416.21613	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	415.2123
Annotation	Arenobufagin
Peak:m/z	Relative Intensity
55.51500	1.5
58.39384	1.4
59.01379	2.3
61.98811	1.5
62.06777	1.4
65.29769	1.3
65.72647	1.4
65.81361	1.3
67.13505	1.4
71.01367	4.6
72.99313	2.4
97.02928	13.0
97.06609	2.0
131.07089	1.7
135.04482	2.3
146.03722	2.8
147.04515	2.4
157.03191	1.8
159.04497	3.1
160.05223	1.7
161.06061	3.6
172.05344	7.0
173.06096	3.7
174.03220	2.3
174.06859	3.6
175.03966	5.7
175.07500	2.9
185.06027	4.8
186.06793	3.1
187.03966	2.1
187.07574	3.5
189.05597	8.1
196.05254	1.8
197.06012	2.0
199.03842	1.6
199.07596	7.3
200.04771	30.0
200.08392	5.2
201.05377	4.5
201.09151	5.1
201.22588	1.6
203.07144	4.4
204.07913	11.1
211.07738	2.0
211.13373	3.6
213.05504	8.4
214.06227	4.4
214.09898	3.6
215.07228	1.9
216.08049	1.8
222.61972	1.5
224.08493	2.0
225.05545	4.4
225.09160	3.7
227.07147	5.4
228.07910	13.2
229.08685	57.7
230.09004	4.5
239.07147	6.2
243.06653	2.6
247.13487	1.4
254.09424	3.0
255.13878	2.5
272.10672	8.9
287.12802	1.9
297.15015	2.9
299.12863	5.7
299.16281	1.7
317.13971	2.3
318.14700	4.9
323.16565	3.0
324.13623	1.7
325.14392	10.8
325.18060	4.0
327.19321	2.6
335.16507	2.5
341.17343	2.5
341.23166	9.1
342.14713	7.4
343.15616	9.7
351.19662	3.4
353.17563	48.8
354.17645	3.7
361.17969	2.0
368.16144	3.7
371.18582	35.5
372.18930	3.6
379.19110	21.3
380.19299	1.9
383.11401	3.5
386.17383	3.5
397.20203	34.9
398.20416	4.9
415.15720	3.6
415.21262	100.0
416.21396	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	415.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41162	0.5
57.57936	0.4
59.01373	0.5
69.28522	1.0
69.28915	1.3
74.99092	5.7
77.00663	73.4
77.82338	0.4
78.01012	0.6
91.26778	0.5
107.44479	0.5
147.08170	1.8
149.09711	1.6
161.09769	0.7
163.11256	2.9
174.50563	0.5
187.11243	2.6
190.50368	0.4
209.71204	0.5
265.12183	0.9
279.13831	1.0
280.14670	1.1
309.22165	1.9
322.19226	0.6
337.21710	100.0
338.22046	11.4
415.23108	18.4
416.23419	1.8
422.34848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	7.5
59.01379	100.0
69.03436	1.0
70.65306	1.4
71.05016	2.9
80.43391	0.8
85.06586	7.4
86.53775	0.8
86.79108	0.8
97.06572	2.7
115.07647	46.9
116.08025	0.9
116.92841	1.1
119.02597	0.8
137.82605	1.0
160.84181	4.0
162.83907	12.2
163.11316	3.3
202.46115	0.8
235.13429	0.9
239.23824	5.3
253.25256	3.1
324.48975	0.9
337.31113	2.5
339.23215	0.9
353.34131	5.4
364.35199	1.0
397.33145	3.0
415.06146	1.5
415.34259	99.9
416.05389	4.6
416.34595	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	415.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.9
59.01378	100.0
60.01706	0.5
61.63786	0.4
61.98827	0.6
63.09975	0.5
69.03483	0.5
70.51395	0.7
70.51910	0.4
71.05021	2.0
76.21155	0.4
85.06577	2.4
93.93807	0.5
97.06613	1.0
99.04556	0.5
100.03417	0.5
101.06072	0.5
103.27008	0.5
115.07623	5.0
116.92899	0.5
123.08170	0.6
125.09672	0.9
209.19310	0.6
211.20671	2.3
211.76942	0.5
225.22229	10.7
226.22565	0.7
237.22179	0.8
253.25388	1.2
265.25595	0.7
283.26343	3.0
284.26721	0.6
307.30075	1.4
337.30936	0.6
355.32132	12.1
355.36493	0.7
356.32632	1.6
380.14868	0.5
397.33258	2.6
415.34262	98.2
416.34598	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	416.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.6
61.98832	12.4
69.43794	1.6
71.01370	0.6
83.04986	0.5
85.02949	5.3
85.09501	0.4
87.00860	0.9
93.03447	2.4
96.01266	0.4
101.02441	0.5
109.02955	0.5
111.04518	0.9
113.02409	0.5
121.02955	0.7
123.04539	0.6
127.04006	1.6
133.02991	0.7
135.04520	0.9
147.39818	0.5
161.02386	1.0
173.04567	0.8
179.03459	0.9
191.05617	100.0
192.05936	3.3
207.95238	0.5
353.08759	11.3
417.13943	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	416.141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50594	0.3
59.01377	0.7
60.58183	0.3
61.67498	0.3
61.98831	100.0
62.87601	0.3
69.23199	0.9
69.23607	0.7
71.01385	0.4
85.02949	0.3
89.02448	0.4
93.03435	0.3
106.63540	0.3
112.03627	0.3
166.02666	1.7
180.81837	0.3
181.05093	1.8
191.05609	3.8
192.05939	0.4
242.52065	0.3
353.08783	0.6
397.91864	0.3
417.14456	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.5
61.73322	0.5
61.98829	100.0
69.03465	0.6
69.26732	2.5
71.01380	3.4
71.52295	0.5
73.02961	0.5
74.02467	0.6
75.00874	0.6
82.95466	0.7
85.02967	0.8
87.00877	0.5
88.04032	0.5
89.02465	2.2
93.03475	0.8
101.02462	1.3
108.02183	1.8
109.02961	0.9
113.02477	0.6
123.04542	1.5
125.02480	0.9
133.42636	0.5
146.08264	2.3
152.01141	3.4
173.04565	0.6
191.05583	5.3
293.08832	1.3
353.08990	0.5
364.74911	0.5
371.13681	0.7
380.15585	5.9
385.03040	0.5
417.10092	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	416.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78241	4.8
54.33818	5.7
59.01381	84.8
67.01893	6.7
68.99838	7.4
69.37919	23.3
69.38251	6.4
71.01409	26.7
73.02951	8.9
79.01405	5.2
80.67294	5.1
81.03470	7.6
85.02949	10.5
87.00886	9.3
89.02445	21.8
93.03465	22.2
101.02460	27.1
111.04520	10.3
113.02491	6.1
135.04541	12.1
137.02435	17.9
145.02986	10.4
151.00381	19.7
161.02419	12.9
163.04070	5.5
166.02713	63.4
173.04559	44.4
179.03473	11.5
181.05074	100.0
191.05614	28.4
205.56700	5.1
209.11768	13.2
243.12354	17.4
282.34296	6.1
387.10834	19.9
402.13214	10.6
417.16574	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	417.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.0
69.03455	1.5
69.48576	1.0
69.48967	1.5
71.01383	4.4
73.02938	1.6
73.03323	0.5
81.03490	0.6
85.02937	1.1
87.00832	0.7
89.02453	2.5
93.03460	0.9
95.01364	0.9
99.00900	0.6
101.02453	1.6
107.32018	0.5
108.02172	53.1
109.02969	24.0
111.04537	0.6
116.92873	3.1
120.13630	0.6
121.02967	1.3
123.04505	2.2
126.38443	0.5
127.04003	1.3
133.02925	1.3
137.02454	0.6
151.03989	2.5
152.01151	100.0
153.01476	3.5
155.03490	1.8
161.02403	0.9
163.04004	2.0
173.04510	0.7
177.01950	0.7
180.04276	2.3
191.05626	2.5
192.05942	1.5
195.06670	3.8
198.42746	0.5
205.27495	0.6
241.07152	3.7
267.05161	0.5
285.06250	1.2
293.19571	0.5
294.22162	0.5
295.04855	0.7
329.08401	0.7
371.13251	1.7
408.79874	0.6
413.72867	0.6
417.10330	91.2
418.10645	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	417.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69435	1.6
59.01379	76.4
69.27660	3.8
69.28066	6.0
71.01381	41.9
73.02949	17.5
83.01363	2.7
85.02950	7.4
85.98009	1.8
89.02448	100.0
90.02815	2.5
97.02975	1.7
99.00879	27.0
101.02451	41.2
113.02438	7.3
113.89133	1.7
125.02436	3.4
131.03511	16.3
143.03476	5.0
149.04556	79.4
161.04561	3.6
191.05615	19.8
194.75035	1.8
199.44244	1.9
221.06668	4.9
251.07704	7.8
293.08463	2.2
311.09808	3.6
392.63629	1.8
417.13516	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.152
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98035	1.5
57.97554	1.1
58.99594	1.3
59.01374	1.9
61.98831	9.0
64.95247	58.7
68.01408	5.2
69.22817	4.1
69.23228	2.6
71.01014	1.7
71.01380	23.8
71.99127	5.1
72.99906	2.9
73.97042	4.7
74.00696	7.2
75.92215	1.3
76.95264	1.3
81.04574	1.2
83.82539	1.3
83.99113	4.4
86.02471	12.3
87.98615	3.4
88.95258	6.5
94.02979	14.9
95.02496	11.5
99.98632	11.0
102.00225	1.7
102.98598	9.5
105.97898	6.8
109.04072	14.6
111.05650	1.8
112.00408	51.6
113.01176	2.6
114.02003	6.6
116.98900	2.6
117.32401	1.5
122.02477	27.2
123.02848	1.5
126.00188	5.4
127.98141	1.8
128.58597	1.1
137.03571	46.1
138.01991	8.1
139.05136	2.3
141.01299	6.3
145.99181	26.3
151.23926	1.3
155.04602	2.2
165.03043	7.3
168.63913	1.2
169.00774	4.8
178.99176	1.8
202.99521	5.1
247.13577	1.8
255.16170	1.3
264.16022	3.4
270.15250	2.2
279.10925	14.0
288.16492	2.4
301.14780	1.8
308.18695	2.5
308.99771	1.3
316.61926	1.5
321.80640	1.4
340.15976	8.9
341.23209	2.4
348.23322	1.3
351.19235	100.0
352.19577	9.5
355.16876	12.2
356.17224	2.3
357.18463	6.6
374.14828	6.2
383.16412	16.7
384.16370	1.4
417.15216	22.2
418.15457	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82577	3.4
59.01379	100.0
61.60674	4.8
68.74812	4.0
69.03480	6.8
69.59993	12.9
71.01389	24.9
73.02950	6.6
81.03459	25.9
83.01442	4.3
85.02934	9.4
87.00872	6.8
89.02451	26.9
95.01376	5.3
95.05015	5.7
97.20744	3.7
99.14160	3.6
101.02426	21.0
111.67769	3.6
113.02448	11.8
114.06886	3.5
119.03460	7.3
123.04524	23.7
125.02436	62.0
127.04028	6.8
135.04556	5.6
151.07684	5.2
161.04477	7.0
179.05678	7.0
186.43620	4.0
193.03487	4.4
195.06641	16.2
249.13414	17.1
357.11746	8.1
381.17661	60.7
382.17966	4.5
417.10413	7.5
417.15280	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88534	0.6
59.01377	16.5
61.98796	0.7
64.46668	0.7
70.50468	1.0
71.01386	7.0
72.99274	0.6
81.03435	0.6
84.70715	0.6
85.02967	1.1
89.02441	8.0
90.25804	0.7
94.06621	1.8
99.79082	0.6
101.02440	5.3
101.94172	0.7
109.02937	0.8
111.21330	0.5
113.02469	3.1
119.03497	4.5
120.04548	2.6
121.05249	0.7
122.06130	9.0
125.02454	1.7
130.03030	0.7
131.03740	1.7
132.04536	3.5
134.06096	0.9
134.97610	0.6
135.04506	1.6
144.04581	0.9
146.06117	1.2
148.04018	2.2
149.04810	0.9
150.05612	25.9
158.02457	3.2
160.03992	1.1
162.05615	2.7
179.05659	1.5
190.05083	14.5
191.05501	1.4
192.06665	2.0
207.09250	2.3
218.04619	1.4
219.09280	0.9
220.06471	1.7
221.07220	3.0
222.07712	11.4
222.09731	1.1
233.07240	1.0
234.07907	1.8
235.08768	12.5
236.09447	2.8
237.10251	2.2
237.14998	2.1
247.08725	2.4
249.06668	11.3
250.07065	4.0
251.08263	1.3
252.09042	0.9
263.08234	21.0
264.08914	8.6
265.07129	0.7
265.09744	5.3
267.07562	0.9
267.11423	0.9
276.08795	1.3
277.06189	0.8
277.09705	0.8
279.07822	5.4
279.10947	0.9
280.08420	1.4
281.09274	5.0
291.07770	5.1
292.08405	1.5
293.05688	3.6
293.09354	2.7
294.10092	0.6
295.10889	8.9
307.07297	14.6
307.10840	1.7
308.07968	8.5
309.08685	2.0
310.09537	1.6
311.10495	1.1
311.17380	1.1
322.09570	2.5
323.10358	29.4
324.10654	2.7
325.11871	1.5
335.10385	2.8
339.09863	21.8
339.13977	1.1
340.10461	5.1
353.11288	3.3
355.12982	100.0
356.13199	8.3
367.12769	0.9
385.14047	96.4
386.14395	10.5
417.16406	1.1
417.21036	8.9
418.21924	0.9
433.86945	0.6
434.27945	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37800	0.8
53.18053	0.8
55.01871	3.0
57.03453	1.9
57.61369	1.0
57.81844	0.9
59.01382	100.0
69.03448	1.9
71.01385	37.4
71.01781	2.1
72.01727	1.5
73.02953	12.2
79.51974	0.8
81.03413	2.0
83.01395	4.7
85.02960	12.9
87.00897	1.4
89.02456	13.7
90.02790	2.4
91.02891	2.0
95.01421	2.4
97.02947	1.5
99.00880	4.0
101.02449	26.7
102.02777	1.3
111.08149	1.2
113.02448	15.7
119.03505	1.9
121.02985	3.0
123.04536	11.4
125.02466	6.3
125.51176	0.9
139.07660	21.5
143.03484	2.6
149.02409	1.0
149.04552	2.9
151.05014	1.4
155.03545	1.4
159.02979	3.1
161.04567	41.1
179.05574	1.4
181.16711	1.0
183.10349	1.3
191.05618	1.7
192.06039	1.1
195.10298	3.0
233.06487	1.4
243.12341	3.1
247.84160	1.1
258.26932	1.1
310.83530	1.1
357.15530	25.9
358.16022	2.3
417.17621	4.5
428.33350	1.0
444.82129	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53102	0.5
57.03441	1.3
59.01376	11.1
62.02092	0.4
67.01889	4.5
69.03441	1.4
69.23129	2.6
70.81751	0.4
71.01382	4.2
72.99340	0.5
73.02970	0.6
79.63747	0.5
81.03465	1.6
83.05025	1.4
85.02956	0.8
87.00864	0.6
89.02439	0.7
93.03458	28.4
94.03786	1.1
98.36288	0.4
101.02466	0.8
109.02937	0.8
111.00881	1.7
111.04520	5.4
113.02487	0.9
119.03569	0.6
125.02464	1.2
127.03993	0.8
136.07132	0.5
137.02429	6.8
137.09720	0.5
139.11285	6.4
152.25317	0.5
155.03503	6.2
173.04547	100.0
174.04900	3.8
181.12364	4.3
183.10271	9.1
191.05566	0.6
195.06670	0.8
199.13411	2.6
225.11339	1.3
243.12355	30.5
244.12694	1.6
289.25226	0.5
417.17621	30.0
418.18076	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1766
Annotation	Ascleposide B
Peak:m/z	Relative Intensity
57.03426	2.3
59.01377	9.2
60.99298	3.9
67.01891	9.1
68.99760	0.9
69.03449	3.1
69.14836	4.3
71.01375	5.6
73.02927	1.2
81.03454	2.4
83.05018	1.8
85.02933	2.1
87.00872	15.3
89.02434	1.7
93.03454	69.4
94.03781	1.6
99.00880	1.4
99.04521	0.6
101.02420	2.0
111.00887	1.0
111.04520	10.9
113.02439	1.0
120.29597	0.6
121.02930	0.8
125.02435	1.8
127.04001	0.8
129.01955	2.7
132.12840	0.6
135.02975	1.5
135.04546	1.6
137.02420	0.9
139.11275	4.2
155.03510	3.6
156.69662	0.7
161.02417	1.9
173.04543	27.0
174.04930	0.7
181.12300	2.3
183.10263	5.1
191.05630	9.8
199.13429	1.7
225.11240	1.1
243.12357	7.3
244.12730	0.9
305.21759	0.7
355.17630	1.1
357.15421	2.4
399.16577	1.5
417.17621	100.0
418.17862	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	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37876	2.7
59.01374	6.6
61.98836	7.2
69.57132	10.7
71.01402	6.6
72.99297	6.9
75.00890	7.1
87.00865	3.2
90.87245	2.7
99.00861	20.9
112.98827	23.9
115.00366	6.6
135.02992	3.1
142.99852	36.7
156.00586	4.4
164.04858	4.2
173.00882	30.7
174.01703	78.7
175.02460	4.9
193.12396	3.7
211.13393	29.2
223.13420	9.1
225.14777	3.0
237.11423	3.3
244.06807	3.0
263.12903	7.5
267.12381	11.9
279.12366	4.7
285.04062	4.2
305.14038	5.5
307.11960	18.6
325.13046	3.8
349.12781	8.1
364.58057	3.4
367.13928	100.0
368.14163	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	417.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47586	2.0
59.01357	2.4
61.98817	4.5
71.43811	2.2
71.65312	2.3
84.95114	6.4
85.00436	100.0
91.31504	2.8
97.44982	2.3
171.86240	2.4
182.18854	2.4
184.43442	2.2
216.35103	2.6
287.59695	2.5
351.40057	2.5
359.82571	2.5
417.30313	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	417.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	7.3
55.96999	0.4
57.03447	5.2
58.00583	0.9
59.01379	61.5
59.23702	0.5
61.72557	0.4
62.98724	0.4
69.03452	1.9
70.15380	0.4
71.01382	100.0
72.01732	1.1
72.99306	2.0
73.02944	31.4
74.03283	0.6
75.00867	1.9
81.03465	1.1
83.01389	10.9
84.02146	0.7
85.02951	44.0
86.03281	1.1
87.00873	4.0
87.04507	2.7
89.02448	30.5
93.03484	0.5
95.01386	7.8
97.02963	1.5
99.00883	11.2
101.02445	58.8
102.02779	0.7
108.95320	0.5
111.00911	1.7
113.02452	40.4
114.02763	1.4
119.03504	13.8
125.02461	2.5
129.01947	1.5
131.03496	1.5
133.89732	0.5
135.04543	1.7
143.03510	5.2
149.04591	1.3
159.02991	8.1
159.04224	0.6
161.04556	52.0
162.04926	1.7
175.84456	0.5
179.05626	2.8
247.28185	0.4
255.19647	3.0
281.04391	0.5
297.20706	0.8
388.78537	0.5
417.25058	38.4
418.25412	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	417.2648
Annotation	Salvimirzacolide
Peak:m/z	Relative Intensity
57.47514	1.3
59.01366	3.1
61.26365	1.5
61.98828	3.3
66.87696	1.4
69.47594	4.8
71.87231	1.3
82.95407	1.7
83.05008	2.2
85.00442	2.4
96.53651	1.3
96.96017	2.6
98.95591	3.7
99.92569	4.1
100.92593	2.6
106.63007	1.4
116.92850	1.9
119.30856	1.2
120.89735	3.0
136.89149	2.1
196.52463	1.5
211.13405	3.0
239.16675	2.2
247.13391	2.7
251.16859	1.6
251.76657	1.5
274.41473	1.5
295.19092	1.6
312.57819	1.4
327.26816	1.8
337.25266	3.1
351.04340	1.6
355.26413	9.0
361.14203	2.1
373.27640	2.2
379.14926	2.8
381.24313	3.3
399.25436	10.4
417.13129	2.7
417.26450	100.0
418.26785	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	418.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32562	2.3
54.22615	2.1
59.01381	100.0
61.66933	2.2
66.97566	2.3
68.99792	2.6
69.03449	5.4
69.62247	7.6
71.01379	19.3
71.50435	2.2
72.99301	8.7
73.02930	3.8
84.19263	2.1
85.02955	9.4
89.02459	17.6
98.21896	3.1
101.02438	20.1
103.53747	2.2
113.02478	7.1
113.37757	2.2
119.03480	5.4
126.95353	2.6
130.28221	2.5
135.04506	3.2
143.03510	2.6
153.01782	2.4
161.02460	4.4
161.04546	6.7
191.05560	4.6
197.08214	2.9
261.22327	2.5
264.55066	2.5
337.05496	2.3
359.17090	19.1
419.18958	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	418.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	36.6
62.88347	11.4
70.91731	22.4
291.09009	74.0
333.20740	43.2
359.15283	100.0
375.18539	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43185	8.1
58.64049	7.3
59.01379	37.1
69.19913	42.1
71.01389	15.3
93.03456	12.2
95.01385	9.0
101.02435	19.6
111.40628	7.6
116.33405	7.4
119.99141	7.2
133.02995	18.5
135.04530	84.7
137.02458	56.3
151.00386	34.3
152.00758	17.8
153.54941	8.3
155.03500	25.9
161.02428	57.9
166.02690	81.0
167.03056	51.5
173.04575	22.2
179.03508	22.8
181.05060	100.0
182.05377	76.4
188.74542	7.6
191.05557	50.1
255.02983	13.0
256.03748	15.0
286.03009	8.2
299.67511	7.8
323.08038	9.3
353.08621	14.0
388.11276	26.1
403.13425	19.6
418.15894	53.7
418.20917	13.0
419.09842	18.8
419.15213	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01711	1.4
61.98827	2.1
66.81641	0.5
68.01015	0.6
69.79725	0.7
69.80081	1.9
71.01382	4.6
73.02941	1.0
78.91871	1.7
83.05049	0.6
85.02938	1.0
89.02439	2.9
98.22591	0.9
101.02461	2.7
113.02484	1.2
117.00480	0.8
119.03499	0.9
120.01219	0.6
125.00980	0.7
126.16583	0.6
133.02972	0.8
134.03761	4.8
134.04698	1.4
137.02434	5.6
141.00424	3.3
149.06033	5.1
151.47664	0.6
152.04837	1.7
153.00447	0.9
161.04572	1.6
162.03258	0.9
179.05699	0.7
180.81396	0.6
182.05836	21.7
182.07420	1.1
183.06288	0.9
186.64339	0.6
195.06688	0.8
197.08183	60.8
198.08525	3.2
199.15544	0.6
217.00372	0.7
239.05862	0.8
269.54922	0.6
298.99377	0.7
320.81375	0.6
359.08386	2.5
359.12936	0.9
419.13351	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	419.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.8
57.03440	1.4
59.01381	100.0
61.26752	1.5
68.99802	1.5
69.03441	1.5
69.08167	8.9
71.01385	32.6
72.99310	41.3
73.02966	7.0
75.00822	1.7
85.02966	11.9
87.00888	2.7
89.02447	23.2
98.21864	3.2
99.00885	5.0
101.02446	29.4
113.02484	12.9
117.01952	3.5
117.07138	1.6
119.03507	8.6
120.05782	1.9
127.04017	5.5
133.02946	2.8
135.04477	1.5
135.08159	6.1
143.03578	2.2
159.02959	1.7
161.02454	6.2
161.04556	16.7
179.03613	3.7
179.05685	2.0
179.07126	45.3
179.67760	1.3
180.07489	2.1
191.01955	10.3
191.05685	2.7
213.67273	1.4
227.09296	3.7
323.07770	1.8
328.55316	1.6
359.13486	75.1
360.13635	4.9
419.11444	2.9
419.19498	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.9
61.98834	13.0
62.92777	1.2
71.46264	1.0
84.28941	1.0
102.78211	1.0
108.02165	4.7
109.02956	100.0
110.03277	2.6
135.04543	1.5
161.02426	1.5
176.01132	3.1
189.12836	12.6
205.12366	4.5
207.13997	1.5
233.11813	10.4
237.28235	1.2
256.03754	1.2
265.14441	22.5
266.14792	2.1
275.37775	1.4
306.87656	1.3
309.13467	12.9
387.14240	6.0
419.03958	1.7
419.09259	1.2
419.11121	1.1
419.17072	27.9
420.17407	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	419.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
57.03460	0.6
59.01381	100.0
60.01706	1.2
69.03464	1.1
69.84205	1.5
71.01382	11.8
71.41903	0.5
72.99305	2.6
73.02942	2.9
75.00883	0.5
81.03503	0.5
83.01401	1.0
85.02954	3.6
86.73965	0.6
87.00893	1.3
89.02442	9.8
95.01393	1.1
97.02955	0.5
99.00917	1.0
100.60011	0.5
101.02450	8.1
113.02460	4.7
118.65398	0.5
118.93894	0.5
119.03525	4.9
120.55520	0.5
125.02459	0.6
129.53705	0.5
133.03029	0.7
135.04562	1.4
143.03526	1.8
149.04454	0.6
159.03098	0.7
161.02448	2.5
161.04555	8.0
173.04666	0.7
179.03537	1.3
179.05621	2.6
191.02011	0.8
191.05701	1.2
239.05858	0.7
359.17120	22.2
360.17609	2.0
419.14447	1.0
419.19214	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	419.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65722	0.6
59.01377	94.9
60.16063	0.7
61.98829	1.6
63.99604	0.7
69.39693	0.6
70.95624	0.9
72.03843	0.6
84.47684	0.6
87.00874	0.7
95.05066	1.0
103.01493	100.0
104.01835	1.0
119.96513	0.8
125.87325	2.8
126.87312	0.7
126.88114	4.9
127.87030	4.0
128.87820	4.8
157.86317	0.7
188.04364	0.7
233.29796	0.7
246.12407	1.1
269.04025	0.8
278.11124	1.3
289.18024	0.9
293.21039	2.6
313.03177	3.4
314.03107	2.9
315.02554	2.9
335.10986	0.8
349.00446	2.5
350.00983	8.6
350.96317	1.0
351.00317	13.7
383.10825	1.2
419.07828	1.3
420.06989	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	419.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00451	28.4
59.01365	59.7
61.23564	29.0
61.98812	100.0
62.27555	30.1
70.08710	78.1
74.00882	28.9
82.44238	27.6
82.95487	38.2
85.00441	86.6
98.22534	39.3
105.01924	44.3
291.19632	65.6
419.09964	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75076	11.9
57.88706	12.9
59.01368	15.9
61.98817	21.6
62.11927	11.9
62.12249	10.4
63.93540	9.7
70.45784	26.2
85.00441	100.0
107.84408	11.3
121.02993	13.2
138.26341	11.9
206.32640	12.7
307.57819	15.2
360.07706	12.6
367.46393	13.0
419.24551	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	419.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78226	25.5
58.74413	26.0
61.98822	87.1
69.77083	100.0
101.02414	54.6
140.89175	29.4
144.60570	29.0
148.67657	34.2
155.31520	29.5
156.85008	25.1
202.43886	30.5
287.13058	30.3
337.94308	30.7
342.07822	28.1
444.48785	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	50.1
69.78960	100.0
86.90939	26.6
88.98797	86.3
89.02462	53.1
104.55367	26.8
144.28549	33.2
235.07825	28.1
270.99875	27.2
407.38205	32.7
427.34634	30.0
429.28845	36.1
444.47025	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2441
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
51.43665	0.7
59.01219	2.3
59.01540	1.7
65.03802	2.8
65.04175	1.5
68.99693	1.0
69.03307	0.9
72.99297	0.7
74.74259	0.7
76.21242	0.8
81.03312	1.0
83.04890	1.6
85.66080	0.8
91.05344	2.0
95.04861	1.0
97.06375	3.4
101.02216	2.1
105.06934	1.6
107.04868	0.7
109.06390	1.1
114.40768	0.7
115.05384	1.2
122.03585	0.9
123.07999	1.4
125.09488	13.3
125.10471	1.9
133.10014	1.8
153.09023	1.1
153.40353	0.7
159.11580	1.0
167.73526	0.8
185.09509	1.1
185.11665	1.7
187.14922	17.4
187.16464	0.8
205.12157	1.1
209.11583	2.7
211.13168	1.2
213.12619	2.6
231.13889	32.5
232.14030	1.3
235.13220	1.5
237.14812	1.5
249.15001	9.5
250.11884	1.4
250.14944	0.9
307.55106	0.8
329.24747	1.4
339.23056	2.1
357.24118	1.2
373.23505	1.1
383.22141	4.6
384.22617	0.9
391.24899	1.7
401.23322	100.0
402.23682	11.7
419.24435	33.0
420.24692	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	419.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.5
60.41802	1.0
61.39772	1.0
61.98837	1.9
68.84943	1.1
71.43067	1.2
72.99302	5.9
73.97095	1.1
91.72495	1.0
97.06588	4.3
125.06091	44.2
126.06464	1.4
143.07141	68.4
195.13873	8.2
196.14558	1.7
223.13409	9.0
247.11139	1.0
256.13309	1.5
275.20108	3.0
293.21222	100.0
294.21558	7.8
419.28040	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	420.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80107	0.5
59.01382	3.5
61.98829	100.0
71.01417	0.8
81.03440	0.8
85.02962	0.6
89.02438	0.8
108.02189	0.9
109.02960	4.9
113.02431	0.9
122.02508	1.2
125.02447	1.3
126.02774	0.7
134.61252	0.5
135.04530	0.5
136.00058	0.4
153.01935	3.7
161.02461	0.9
246.78214	0.5
266.09073	0.5
284.64105	0.5
420.09354	3.6
421.11197	0.7
421.16034	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	420.2756
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
59.01374	1.0
61.98821	0.9
63.79567	0.5
69.06160	0.4
70.06625	1.4
78.95892	1.8
90.70737	0.5
95.14944	0.5
105.26205	0.4
108.14942	0.5
111.57592	0.5
121.02959	100.0
122.03286	2.1
127.87043	15.3
136.89357	0.5
155.90137	1.5
159.86028	4.0
199.89128	1.5
321.75186	0.5
353.14014	0.6
420.03775	1.4
420.27560	60.1
421.27890	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	421.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70413	0.8
57.03445	3.7
58.02980	1.5
59.01382	13.6
61.52012	0.8
69.26518	4.2
70.02982	10.6
71.01387	5.6
71.05017	12.4
72.99296	1.0
73.02946	5.2
75.00878	1.3
85.02952	2.8
87.05639	3.9
89.02444	3.8
98.21886	2.4
99.04499	5.9
101.02442	8.5
113.02464	3.0
116.07146	2.1
119.03510	1.4
128.03467	0.9
130.03355	7.3
132.02191	1.0
133.02969	14.7
134.03700	0.9
135.04533	5.2
146.08232	75.5
147.05980	3.0
147.08589	1.4
161.02449	73.8
162.02803	3.3
163.04021	1.1
167.07106	6.2
179.03493	2.7
181.08730	2.4
183.71146	0.9
184.34340	0.9
191.05568	1.9
197.11989	1.0
217.11897	17.4
241.10852	5.8
251.67223	0.9
277.12271	100.0
278.12582	3.6
279.85974	1.0
361.14865	2.3
377.18097	3.1
385.11389	69.1
386.11853	5.4
421.12396	1.1
421.16345	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	421.1139
Annotation	Amburoside A
Peak:m/z	Relative Intensity
59.01370	1.8
69.58497	1.1
71.01391	2.4
73.02949	0.6
76.27217	0.4
78.95914	1.4
85.02956	2.1
89.02439	0.6
92.28651	0.4
93.03452	1.5
96.23989	0.5
96.96016	0.5
101.02457	1.7
107.05024	0.4
108.02175	46.7
109.02979	19.8
110.03252	0.7
113.02438	1.3
121.02957	1.3
130.79356	0.4
133.02974	0.7
135.04526	1.9
142.43300	0.4
152.01157	100.0
153.01941	56.4
153.03255	0.9
153.09224	0.4
154.02280	1.7
161.02466	1.2
163.04028	0.6
169.06604	0.5
173.04530	1.3
179.03470	0.8
180.83968	0.5
191.05696	0.5
196.05283	0.5
197.06052	2.8
214.06316	0.9
215.07132	14.7
216.07448	0.7
247.09886	0.5
258.05453	0.7
259.06085	36.4
260.06384	2.3
273.18729	1.1
289.16751	0.7
315.07245	21.7
316.07599	1.6
421.11560	2.6
421.25781	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	421.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91412	0.3
57.27421	0.4
59.01373	2.6
61.98833	0.6
69.11313	2.4
71.01400	1.8
73.02941	1.0
80.93763	0.4
85.02961	0.9
89.02435	1.0
91.01899	0.4
93.03461	2.1
99.00893	0.5
101.02463	1.3
101.89144	0.4
108.02180	8.9
109.02955	49.2
110.03313	0.8
113.02454	0.6
123.00899	0.6
123.04509	0.4
133.02913	0.5
135.04541	0.5
137.02434	3.1
139.04025	0.5
149.04575	0.9
152.00089	0.3
152.01160	20.2
153.01941	100.0
154.02271	4.0
161.02458	0.7
161.04546	0.6
173.04626	0.9
186.06747	0.3
191.05632	3.0
215.07118	8.4
215.96327	0.4
216.07466	0.6
259.06113	31.2
259.19116	0.5
260.06491	1.5
289.16510	0.8
304.93381	0.4
315.07236	61.5
316.07510	3.7
366.67523	0.4
368.58884	0.4
421.11380	13.2
421.25064	0.7
422.11880	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	70.8
61.98827	4.4
69.03464	1.8
69.53193	0.9
71.01375	30.6
71.44231	1.1
72.99295	1.3
73.02968	2.6
76.73027	0.8
78.91888	1.9
80.22862	0.9
80.91687	7.8
80.98563	1.1
83.01385	3.1
85.01440	2.2
85.02937	5.3
87.00866	2.2
89.02438	31.0
95.01392	2.1
97.02937	1.2
98.99379	4.1
99.00882	2.4
101.00951	5.6
101.02440	12.4
113.00944	17.1
113.02434	8.2
117.00435	4.4
119.03490	9.7
121.06579	3.7
123.03026	2.4
125.00924	7.5
126.98867	2.4
127.02494	1.1
127.04016	1.4
131.03497	1.9
139.99667	2.4
141.00438	35.6
141.01544	1.8
142.00641	1.6
143.01981	3.3
143.03520	2.5
144.99942	2.1
151.02507	1.1
153.00433	4.6
155.02005	19.1
156.02167	1.3
156.17795	1.0
157.03560	1.6
161.02470	1.4
161.04530	4.1
162.03186	2.6
165.05525	4.2
167.02020	9.6
168.99936	4.1
169.03548	1.2
171.01488	2.8
179.05594	14.6
183.01462	16.7
184.01796	1.5
185.03064	3.3
191.05664	3.3
195.01488	3.8
195.06525	1.4
207.08810	2.7
213.02597	1.9
237.10242	1.1
241.07108	2.7
243.03601	2.8
247.06708	5.4
257.05319	1.3
259.03214	1.0
269.05219	1.5
275.06696	1.0
279.56812	0.9
287.06256	2.7
289.07785	96.3
290.07895	9.1
331.08902	1.5
339.12976	3.4
343.13983	1.0
357.11969	1.5
361.10294	1.0
361.15097	1.4
375.05609	1.0
403.10989	5.6
421.12009	100.0
422.12207	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.5
61.98832	2.1
67.01891	1.4
68.99820	12.6
69.03456	17.6
70.03802	0.5
71.01389	0.5
81.03458	5.6
87.00872	0.6
93.03489	0.7
96.96001	1.7
98.88019	0.5
101.02447	20.9
107.05049	1.7
117.03482	0.9
121.02890	0.6
123.04486	0.5
125.02450	10.3
125.03299	0.8
127.00684	0.5
127.04042	1.3
132.02194	0.6
133.02960	3.8
134.03743	5.7
135.04527	96.1
136.04852	3.7
137.02405	0.7
139.03972	0.7
151.00290	0.7
157.05060	7.0
161.02448	18.6
168.17249	0.5
173.04579	1.0
173.06056	9.4
179.03496	100.0
180.03804	4.7
191.05652	0.9
195.06628	7.3
196.07185	0.6
196.67473	0.5
217.05040	13.1
217.07071	0.8
218.05365	0.7
223.13367	0.5
227.09238	9.4
235.08612	0.4
252.51512	0.5
259.11807	0.5
287.06033	0.7
287.09244	7.1
288.09430	0.6
291.08899	0.5
319.08099	0.7
357.09641	1.4
361.12924	2.0
375.14484	0.5
389.12390	3.4
421.19000	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	421.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.9
57.03461	4.3
58.02967	2.0
59.01108	1.2
59.01377	12.1
61.98815	2.0
69.03492	0.8
70.02972	9.9
70.28056	1.5
71.01378	4.7
71.05020	14.7
71.91634	0.8
73.02953	5.1
83.01424	1.1
85.02953	2.5
87.05630	4.5
89.02437	3.4
99.04520	6.4
101.02450	9.1
113.02440	2.4
115.05153	1.8
116.07172	1.7
119.03494	1.6
129.05630	1.8
130.03307	9.1
133.02971	7.7
135.04512	3.1
146.08235	78.1
147.05936	4.5
147.08545	2.4
161.02451	43.5
161.04520	1.8
162.02805	1.7
167.07076	4.1
179.03418	2.3
179.05530	1.3
181.08693	1.7
182.28940	0.8
185.47682	0.8
191.05498	1.2
217.11909	15.4
241.10770	8.2
277.12259	100.0
278.12549	5.5
345.43423	0.8
354.77707	0.9
356.02835	0.8
361.14822	1.3
377.18179	4.7
385.11377	32.5
386.11682	3.2
421.16461	6.8
421.21625	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.2
59.01378	100.0
59.41828	1.0
60.01722	1.0
61.98829	4.3
69.60509	2.6
71.01380	36.0
72.99304	1.0
80.62120	0.8
83.01373	1.6
85.02931	4.0
87.00873	1.9
89.02444	65.6
95.01385	1.6
95.42985	0.8
98.21913	1.7
101.02448	19.7
113.02447	17.0
119.03503	23.6
125.02470	1.2
131.03510	2.7
143.03479	5.9
149.04579	2.6
161.04520	6.1
177.01898	2.1
179.05608	25.4
180.05940	1.1
215.43901	0.9
287.43927	0.8
343.13919	2.9
361.14960	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	421.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04790	0.8
59.01377	100.0
60.01699	1.7
62.55414	0.7
68.29236	0.8
70.29517	1.0
71.01377	30.0
72.99310	1.1
73.02936	1.0
79.21592	0.8
83.01378	1.3
85.02936	4.5
87.00859	1.4
89.02438	35.9
95.01373	0.8
101.02446	15.0
113.02447	10.1
119.03494	12.5
119.08680	1.9
131.03470	1.1
136.82135	0.8
143.03479	1.9
149.04568	1.5
161.04533	2.6
163.07675	5.8
177.01762	0.9
179.05647	8.2
331.13885	7.0
343.09766	1.7
343.13965	31.4
344.14273	3.6
357.07971	0.8
361.15030	35.7
362.15424	3.4
419.38196	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83749	1.3
54.52649	1.2
55.98513	1.1
58.00595	1.6
59.01382	100.0
61.98831	2.6
69.40984	6.1
71.01383	34.2
74.73929	1.1
85.02958	4.5
86.93703	1.1
87.00877	2.5
89.02447	55.6
95.01411	2.9
100.08530	1.3
101.02451	16.8
113.02458	13.4
119.03506	18.4
120.99728	1.4
125.76170	1.4
131.03525	2.7
137.09686	1.2
143.03505	5.3
149.04509	1.2
161.04578	4.2
177.01982	1.9
178.73872	1.4
179.05620	18.3
223.27637	1.2
343.13947	3.7
361.15186	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	421.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.2
57.03437	4.4
58.02994	1.6
59.01379	33.0
60.68132	1.2
61.98822	1.9
69.15137	4.9
70.02969	9.9
70.80581	1.6
71.01379	11.8
71.05016	13.2
73.02943	7.2
75.00887	1.1
83.01407	1.7
85.02936	4.8
87.05626	5.4
89.02440	6.9
98.21885	3.3
99.04520	6.2
101.02431	15.6
113.02452	5.0
115.05084	1.3
116.07178	2.2
119.03517	2.3
119.08688	2.0
130.03334	9.6
133.02948	9.8
135.04576	2.2
137.09737	7.8
146.08228	76.4
147.05986	3.0
147.08600	2.9
161.01080	2.2
161.02437	45.0
161.04449	7.2
162.02818	2.1
167.07140	5.5
169.08653	2.6
179.03494	2.9
179.05692	1.8
181.08704	39.0
191.05579	2.5
197.11839	1.5
199.09753	4.3
217.11903	17.1
226.22168	1.2
241.10762	8.2
275.56586	1.3
277.12250	100.0
278.12427	4.8
357.14581	1.3
361.15027	42.8
362.15341	4.3
377.36011	1.3
385.11392	31.3
386.11719	2.2
421.16516	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	421.232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08620	0.5
58.74717	0.5
59.01379	95.8
60.01726	0.8
61.98847	0.6
87.00900	1.2
94.74863	0.6
97.08578	0.5
97.45940	0.6
103.01497	100.0
104.01838	0.7
122.89394	0.9
125.87322	9.2
126.87325	0.7
126.88136	3.0
126.93044	0.6
127.87043	10.4
128.87811	4.6
129.05568	1.2
154.89395	0.7
157.86324	2.6
159.85979	2.5
196.88617	1.0
198.88316	1.0
277.21725	0.8
295.22757	3.3
313.03101	3.0
314.03226	2.7
315.02634	1.5
317.20883	2.1
322.00180	1.1
327.04132	0.7
349.00656	1.0
350.00867	2.0
351.00327	3.7
365.26849	0.8
385.12296	1.7
407.16754	0.6
411.17383	0.6
421.09570	8.0
421.22821	1.1
422.08966	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	421.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09958	0.5
61.98828	0.7
69.80691	1.7
78.95903	0.5
79.05512	0.4
80.91669	2.2
98.03709	0.4
98.21925	0.9
124.43298	0.5
125.87304	0.9
163.11281	100.0
164.11583	5.6
173.24841	0.4
174.32797	0.5
185.02232	1.4
210.79047	0.5
333.21536	0.5
339.23270	78.1
340.23575	9.0
354.77777	0.5
421.22476	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87552	10.9
52.07988	10.7
56.78515	11.6
58.17029	10.3
59.01378	38.0
69.57209	47.0
79.29694	12.2
88.98815	70.0
89.02464	21.9
92.44633	11.8
102.64382	10.7
103.01475	28.9
104.01950	11.3
105.01940	20.5
121.30382	10.0
127.87044	36.9
128.87854	70.3
129.86752	18.1
132.98068	10.7
139.59442	10.3
142.23880	12.0
171.88152	12.0
201.93025	14.3
293.21255	54.7
294.08139	13.8
314.03229	22.8
315.02597	15.9
351.00439	43.6
352.00616	100.0
353.00061	49.9
421.07730	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	421.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12540	2.4
59.01365	3.6
60.14888	2.4
61.98819	7.0
62.07414	2.3
67.26913	2.1
69.99789	5.4
74.12222	2.2
79.64265	2.2
83.05028	5.3
88.98819	5.1
89.02498	3.3
97.06569	4.9
111.08095	3.3
125.09713	12.1
133.02957	5.2
161.02393	2.2
171.10280	14.3
179.01961	2.2
185.11778	2.3
187.15018	2.7
189.16547	3.7
192.04309	12.4
205.16037	3.5
207.10007	4.6
211.13414	8.6
215.14433	5.0
233.15454	44.9
249.14932	4.4
251.16618	4.3
257.17441	2.8
263.34979	2.1
276.70963	2.2
351.61566	2.3
376.33380	2.5
385.23947	8.1
403.17325	3.7
403.24893	82.7
404.25302	7.2
421.13870	5.0
421.25967	100.0
422.26282	12.6
425.99850	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	421.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31872	17.2
56.13953	16.7
59.08088	19.0
61.98818	23.9
69.43523	53.3
72.66480	18.5
88.98801	58.9
89.02456	66.0
105.48490	21.0
107.67357	17.4
116.81274	18.0
121.02966	32.7
133.03020	25.3
190.08917	20.9
192.04221	100.0
288.23755	18.0
309.20914	17.8
403.18100	26.8
421.27386	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	421.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02299	9.6
59.01374	21.5
61.98823	30.9
64.19273	9.9
69.24353	45.1
88.98792	26.5
89.02448	24.1
96.95995	13.4
96.96948	10.9
121.02940	20.0
125.09705	24.9
171.10210	10.9
192.04234	38.1
200.32825	9.5
211.13425	11.3
233.15456	44.9
335.11539	13.1
363.11349	15.9
403.24905	100.0
421.15869	15.4
421.26190	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2591
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
59.01371	2.3
61.98821	7.5
62.01258	1.5
71.10956	2.1
88.98795	6.5
89.02460	11.3
94.35560	1.5
97.02962	3.8
97.06581	3.0
121.03014	1.8
123.08173	2.2
125.09724	13.2
133.02950	5.8
137.09705	2.2
164.01137	1.7
177.01884	3.1
192.04279	20.2
207.10110	2.8
211.13506	8.0
215.14375	4.0
233.15471	68.2
234.15823	5.5
245.02592	1.8
247.02174	2.1
251.16513	5.6
324.00259	1.8
331.26227	3.3
341.24713	1.6
355.90948	1.7
385.23703	5.6
393.26624	2.4
403.24887	100.0
404.25162	8.7
421.25977	22.0
422.26315	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	421.2593
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
57.03433	1.8
59.01367	6.1
61.98829	14.4
68.67525	1.6
69.03461	3.5
69.53719	7.2
71.05023	2.8
83.05031	4.1
86.51464	1.9
86.70884	1.8
93.03452	2.5
95.05049	4.3
97.06592	4.7
109.06588	5.5
118.22729	1.5
123.04549	4.8
123.08170	4.1
127.07630	1.9
135.08163	2.7
137.09727	3.1
140.55003	1.6
149.06091	2.7
149.09711	2.6
149.42293	1.9
151.11266	1.8
153.12782	2.9
170.09451	1.9
185.11826	13.9
189.12767	1.8
191.14381	4.7
199.13408	2.1
205.12245	2.2
207.13927	17.1
209.15495	3.7
213.14929	4.7
217.12335	2.8
233.15561	2.8
235.13376	70.4
236.13690	4.0
237.14937	4.0
249.15059	3.4
251.16519	2.8
253.14442	15.2
275.16434	2.4
276.17252	1.9
277.17935	2.5
323.23444	2.0
330.46951	1.8
341.24908	8.5
357.24341	2.6
359.25955	10.2
359.59796	2.1
367.22806	6.6
375.25540	4.2
385.23837	26.9
386.24585	2.2
393.26489	3.1
403.24875	90.2
404.25302	10.3
421.25919	100.0
422.26352	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2595
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
57.03514	0.9
59.01148	0.5
59.01464	3.0
59.46675	0.3
60.27279	0.3
61.98918	3.0
65.03727	0.3
65.04033	0.8
69.03194	0.6
69.03548	1.1
69.26709	0.7
69.27103	1.0
71.01469	0.6
71.05097	0.7
74.14111	0.3
80.02775	0.3
80.24646	0.3
81.03561	1.0
83.05139	6.2
85.06702	2.3
87.43896	0.4
91.05631	0.5
93.03548	0.7
95.05154	1.1
95.27129	0.3
97.06712	3.2
98.22575	0.9
99.92686	0.9
100.93417	0.7
105.07164	0.7
107.05048	0.4
107.08758	1.0
109.06726	1.9
111.08154	2.4
115.92210	1.3
116.92863	2.8
119.04338	0.3
119.05090	0.8
119.08731	0.5
121.06722	0.7
123.08163	1.8
125.08876	0.4
125.09716	8.0
127.11395	0.7
133.03081	0.8
133.06674	0.4
135.08263	0.6
137.09853	1.3
141.12990	0.5
149.09848	0.5
151.11436	0.8
153.09364	0.6
159.11852	0.7
163.11456	0.7
167.10931	0.5
171.10266	21.1
172.10651	0.7
183.13914	0.5
185.11948	0.7
187.14877	1.7
189.16656	1.4
192.04326	1.9
197.11884	0.4
201.13058	0.5
201.15115	0.5
203.14626	0.4
205.15968	3.6
207.13982	0.5
209.11829	2.6
211.13409	5.7
213.13055	0.4
213.15074	0.5
215.14336	1.8
219.10336	0.5
221.15468	2.6
231.13896	3.0
233.15451	26.8
234.15965	1.5
237.15129	0.8
239.16696	1.0
247.13675	0.8
249.14951	10.4
251.16541	1.8
252.13818	1.0
257.17572	2.6
265.18222	0.6
283.19199	0.8
313.25385	0.7
323.23843	0.6
331.26349	1.9
339.22968	0.5
341.24799	2.8
357.24271	0.9
359.25891	1.7
367.22763	1.3
375.25421	1.4
377.26810	2.2
384.11676	0.4
385.23843	5.0
393.26587	1.6
403.24875	46.7
404.25165	5.9
421.10590	1.8
421.25931	100.0
422.20804	0.8
422.26303	12.6
436.03943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40627	1.7
50.53352	1.7
52.79828	1.5
55.01888	3.5
59.01379	86.1
61.98829	3.7
62.19591	1.6
69.72916	6.2
71.01379	56.7
73.02952	19.3
83.01389	6.3
85.02938	21.1
87.00877	3.0
87.04526	4.9
89.02444	42.7
95.01418	2.8
98.22588	2.3
99.00880	6.6
99.18273	1.7
101.02451	37.9
113.02460	21.3
119.03497	11.3
125.02424	3.7
129.43291	2.0
131.03485	3.7
143.03545	3.5
143.04610	2.5
149.04538	5.4
159.02969	2.9
161.04529	18.8
165.05664	2.9
171.10320	2.5
179.05638	7.8
180.05956	2.1
191.05678	2.5
197.00650	1.9
201.11287	9.9
214.91785	2.1
222.39645	1.8
232.13620	1.8
233.06737	1.8
247.11859	18.3
260.09116	2.4
291.14511	8.0
306.07700	3.9
363.16620	22.3
379.16074	100.0
380.16309	7.4
423.10498	3.8
423.18652	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	423.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90257	0.5
59.01378	26.7
60.01691	0.8
61.98828	17.8
69.03426	0.6
69.39686	1.0
69.40079	1.3
69.70857	0.7
71.01011	1.0
71.01380	15.5
72.99298	1.6
73.02937	2.9
75.00860	1.2
78.39752	0.6
79.95728	5.3
80.91669	1.8
80.96535	0.7
82.95396	1.7
83.01389	1.3
83.05043	0.7
85.02951	4.0
87.00871	1.5
89.02439	13.8
93.03426	0.8
95.01380	0.7
95.24030	0.6
96.95986	1.1
97.02943	3.1
99.00888	1.5
99.92602	0.9
101.02432	10.5
113.02455	6.2
116.92081	0.7
116.92864	9.7
119.03513	4.5
119.05022	64.0
120.05375	2.9
123.04514	0.9
125.02430	0.8
129.05602	0.8
129.08286	0.6
131.03494	1.3
135.04520	11.5
141.00423	1.3
143.03418	0.7
149.04514	1.1
159.02905	0.8
159.06599	1.5
160.04037	1.9
161.04582	3.7
163.04007	28.8
164.04318	2.2
167.07137	1.1
179.05652	4.4
181.05054	10.4
183.01343	0.7
190.63002	0.8
191.05687	1.3
195.01482	1.0
199.00703	23.9
200.00955	1.1
215.00182	14.0
216.00446	0.7
222.25047	0.6
223.06181	1.1
232.64063	0.7
242.99594	2.3
243.03554	3.4
261.00644	8.4
261.09784	1.1
262.00916	0.7
262.25504	0.7
281.06607	0.7
291.10938	1.7
313.12979	0.7
341.10944	5.6
342.11722	0.7
343.10159	2.8
363.16602	2.3
366.07993	0.9
391.06845	0.6
423.06000	100.0
423.14178	7.4
424.06335	7.9
424.15369	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.3
59.76019	0.6
70.99882	0.9
71.01378	7.5
71.18800	0.5
73.02943	0.9
74.99383	1.8
78.95914	0.8
80.91681	0.8
82.75401	0.6
82.99889	1.6
83.01375	1.4
85.01474	3.2
85.02929	1.5
86.99368	1.4
89.02443	6.3
92.68629	0.5
96.96027	0.8
96.96959	1.6
97.01456	0.6
97.02926	1.5
98.98757	1.0
98.99376	13.3
99.00868	1.4
99.64346	0.5
99.99464	0.6
100.00155	0.9
101.00945	6.6
101.02435	3.2
102.98875	2.6
111.00871	0.6
113.00945	3.7
113.02462	2.2
115.99641	1.5
117.00485	2.9
117.25068	0.5
119.03472	2.2
119.05011	1.0
120.09110	0.5
121.23763	0.6
123.08142	0.6
125.00951	11.0
126.01038	0.9
126.98905	1.2
127.02467	1.0
129.00421	0.6
141.00439	52.4
142.00542	3.3
143.99168	3.2
151.02513	1.0
153.00430	20.4
153.01668	1.1
154.00580	1.2
155.01994	1.9
161.04559	0.9
163.04054	0.7
165.00398	1.2
167.01952	3.4
168.99921	0.7
169.08682	1.5
171.01466	4.0
179.05606	2.8
182.00604	0.7
183.01492	16.2
184.01707	0.8
191.05574	0.9
195.01476	41.5
196.01651	2.8
201.02541	11.1
202.02734	1.5
207.01486	1.0
213.07631	1.0
217.02061	1.1
225.02504	1.4
231.08606	0.8
243.03578	100.0
244.03783	10.1
247.51141	0.6
255.03606	1.6
261.04614	1.2
273.04706	3.0
273.17969	0.7
303.05682	10.0
304.05829	1.3
341.10818	7.0
363.07813	21.9
364.07977	2.8
423.04910	0.8
423.10242	3.2
423.14896	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67856	16.3
66.25017	16.6
69.24363	100.0
127.97765	18.4
188.49461	19.1
224.31169	18.1
403.10995	16.2
408.75845	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	423.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67856	16.3
66.25017	16.6
69.24363	100.0
127.97765	18.4
188.49461	19.1
224.31169	18.1
403.10995	16.2
408.75845	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	423.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	24.7
64.52045	15.0
69.07961	100.0
71.01370	17.0
71.36646	13.8
73.30122	15.0
75.00838	13.2
84.25785	13.0
94.03112	14.4
132.33487	14.3
141.63281	15.4
165.05403	15.5
224.63995	13.4
291.02795	15.4
292.09525	17.1
293.26166	14.1
384.14645	15.8
423.10986	15.3
423.17758	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93014	1.1
51.64004	1.0
53.17272	1.3
59.01386	1.8
68.83937	1.1
68.99825	7.1
69.03454	3.7
71.01404	1.7
74.99099	3.0
78.35403	1.1
90.60651	1.1
91.05476	1.2
93.03465	1.8
101.02448	4.5
107.05033	9.2
109.57444	1.2
118.98158	1.4
121.02972	9.7
122.03810	6.2
123.04558	2.3
129.10315	1.2
130.04262	2.9
133.54570	1.2
135.04524	11.1
136.05319	11.1
136.99074	1.8
137.06090	100.0
138.06441	2.6
139.03964	1.2
143.05029	3.3
145.02991	1.4
145.06577	3.9
145.35037	1.3
149.02448	18.6
150.03242	6.7
151.03984	6.4
158.03746	4.3
159.04483	1.9
161.02420	2.5
161.06082	1.3
163.03979	2.8
165.05574	39.8
166.05902	1.9
171.04576	1.8
172.05223	1.5
173.04681	1.4
173.06009	6.8
174.03227	4.4
175.03979	1.3
176.58755	1.3
177.01985	1.6
177.05479	1.3
178.02750	3.5
179.03470	14.9
186.03105	1.2
187.04007	5.3
189.05562	3.6
189.09236	2.7
193.01396	1.7
199.04031	1.9
199.07727	2.2
201.05525	5.6
202.02774	4.2
202.99953	1.4
208.03777	3.8
209.04553	73.4
210.04901	2.6
215.03465	3.3
217.05049	5.5
217.08662	3.1
225.09326	2.9
227.07280	1.6
231.02905	2.2
239.07188	1.8
243.06732	1.3
243.10329	1.3
245.04552	9.3
253.08699	2.1
259.02408	3.0
259.06122	4.0
263.05469	2.1
267.06558	3.9
271.06180	2.2
289.03546	23.1
289.07181	15.2
297.07590	4.6
311.05756	1.5
315.08722	20.3
316.09100	1.5
321.06174	2.6
331.08160	3.5
341.06610	22.0
342.06967	2.1
347.11319	4.4
359.07724	46.7
360.08017	3.0
373.09372	1.4
391.10410	7.8
405.11823	5.0
423.12720	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	423.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.6
57.03439	3.1
59.01379	100.0
61.98816	4.8
69.24930	1.2
71.01381	61.4
72.01718	1.7
72.99286	2.6
73.02949	18.2
75.00858	1.4
83.01391	6.5
85.02945	18.5
85.88145	1.2
87.00876	3.7
87.04517	5.9
89.02441	47.9
95.01374	3.3
95.26589	1.2
97.02911	1.5
99.00875	10.3
101.02445	41.2
113.02454	21.8
115.04035	1.8
116.92882	2.3
118.98068	1.9
119.03506	15.2
122.06003	1.8
125.02447	2.5
127.44330	1.3
131.03491	3.7
143.03459	5.2
149.02489	1.9
149.04582	9.0
149.05597	1.5
150.03226	2.1
159.02971	2.9
159.21872	1.6
161.04564	13.8
161.78629	1.6
165.05533	4.6
171.10243	4.4
179.03426	1.8
179.05638	10.0
191.05637	6.0
195.06573	3.2
201.11316	12.2
225.11600	1.6
233.06561	2.9
247.07077	1.7
258.39563	1.5
291.14496	33.4
292.14676	1.9
293.08755	3.8
363.16614	39.6
364.16711	1.8
380.16357	8.4
405.08939	1.6
423.09711	6.8
423.18613	54.3
424.18839	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	11.4
61.98825	5.4
65.33062	2.4
69.03462	3.2
80.91675	14.8
83.04958	3.1
84.02168	2.8
92.92812	4.2
95.05020	8.4
97.06575	17.5
99.92611	18.5
115.92057	4.6
116.92879	8.2
124.53062	2.6
137.09685	3.2
165.12950	2.6
168.64275	2.6
171.10291	5.4
189.05305	3.4
193.08475	5.1
193.12317	15.3
203.80887	2.5
211.13397	7.7
215.10509	16.5
225.14941	26.1
232.10765	12.5
233.11528	12.2
243.16058	11.8
247.13086	9.6
264.09814	30.0
265.14178	5.2
279.12088	6.9
290.13455	2.3
309.13312	3.2
341.23300	100.0
342.23764	11.8
345.20361	4.6
363.21069	23.0
423.11169	5.7
423.23810	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	423.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05186	0.7
59.01373	12.7
61.98835	1.3
67.01872	0.9
69.03445	2.9
69.44424	2.0
69.44813	1.3
72.88281	0.8
80.91682	9.6
83.05026	1.0
84.02148	5.1
95.05037	7.2
97.02958	4.8
97.06587	22.7
98.06912	0.8
98.22707	1.0
99.04508	1.8
99.92579	5.0
115.92126	0.8
116.92832	1.5
125.09676	2.2
137.09723	1.6
165.12794	2.0
171.10286	18.1
172.10593	1.2
175.11299	2.0
179.14384	1.4
183.13863	5.1
185.11790	1.2
193.08464	15.0
193.10158	1.3
193.10522	1.5
193.12309	20.8
194.12601	1.8
197.15675	1.0
211.13391	63.1
212.13763	2.9
215.10532	14.2
216.11024	0.8
221.11736	1.3
225.14952	26.0
226.15404	1.1
231.09981	1.5
232.10815	13.0
233.11580	8.8
243.15988	11.3
244.16309	1.2
247.13170	9.7
253.14555	1.5
259.09567	1.0
261.11087	1.3
264.09781	27.0
265.10107	1.8
265.14240	4.5
279.12283	5.6
291.19492	1.0
309.13092	3.0
331.18146	1.0
341.23294	100.0
342.23596	8.2
345.20319	5.0
363.21170	19.1
364.21680	1.6
407.20453	1.9
423.23505	7.0
424.15445	1.2
424.23883	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	423.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80522	0.8
75.70494	0.2
78.22482	0.2
78.95907	6.3
104.71821	0.2
110.82604	0.2
110.98534	5.0
125.21925	0.4
141.86827	0.5
142.92543	0.4
143.86526	0.8
152.99599	0.4
159.87886	0.3
161.63918	0.3
167.01146	4.2
185.02188	2.9
194.05536	0.3
255.23297	100.0
256.23657	8.0
423.25137	11.2
423.30847	0.4
424.25485	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50618	1.0
54.78076	1.0
60.68807	0.9
69.52374	4.1
70.80743	0.9
71.73627	0.9
72.97095	1.0
78.95901	4.6
98.21857	1.9
110.98518	3.1
120.60446	1.0
124.00210	1.4
167.01094	3.2
185.02205	2.6
232.03644	1.2
255.23293	100.0
256.23688	7.7
333.25421	1.1
423.25311	11.5
449.34735	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23368	0.8
52.00084	0.7
59.01387	0.9
61.98814	2.4
63.18685	0.7
65.21176	0.7
69.48218	3.1
71.01382	0.8
94.53725	0.7
95.05020	0.8
102.27888	0.7
167.10733	1.0
183.13942	6.2
193.12383	1.6
209.11784	3.7
211.13390	100.0
212.13736	4.5
213.15056	0.7
227.12918	0.9
354.09949	3.2
405.26443	15.3
406.26834	1.2
423.15887	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64272	0.6
59.01381	1.3
61.67195	0.6
61.98822	2.0
69.03419	0.7
69.33068	2.8
69.36794	0.6
72.48399	0.7
73.68262	0.7
74.66288	0.6
80.26562	0.6
99.92550	0.9
109.06550	0.6
114.59494	0.6
116.92879	1.0
122.88004	0.6
183.13846	6.1
193.12378	2.1
211.13391	100.0
212.13725	5.5
337.07260	0.7
405.26431	10.7
406.26559	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41846	0.2
59.01377	4.9
61.98830	100.0
70.26977	0.5
71.01387	1.9
73.02947	0.5
82.95405	1.5
83.01416	0.4
84.95134	0.6
85.02964	0.7
89.02441	2.1
95.01444	0.3
99.00912	0.3
101.02422	1.5
104.36890	0.3
111.51075	0.3
113.02480	0.8
116.92895	0.5
117.57894	0.3
119.03516	0.7
143.03548	0.4
152.30203	0.3
161.04620	0.8
179.05716	0.4
319.29330	0.3
365.14224	0.6
365.18420	1.7
425.16440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.0
60.01712	0.9
60.99225	0.2
61.01794	0.6
61.98827	100.0
69.03481	0.2
71.01379	2.7
72.01723	0.4
73.02953	0.6
82.95431	1.0
84.95096	0.3
85.02968	0.8
87.00883	0.4
89.02442	3.2
90.02808	0.7
91.02889	0.3
91.68182	0.2
96.35036	0.3
99.00920	0.7
101.02438	2.2
102.02792	0.6
113.02473	0.8
119.03501	0.8
122.40685	0.2
131.07130	0.5
135.04517	0.5
143.03380	0.3
144.26105	0.2
149.04588	0.4
161.02415	0.4
161.04616	0.8
162.04852	0.3
179.03496	0.3
179.05653	0.3
180.05956	0.3
191.05661	0.6
203.03563	0.3
292.14804	0.7
305.85574	0.3
341.99692	0.4
346.14801	0.8
353.62372	0.3
363.16013	0.5
364.16333	1.2
424.18732	1.9
425.16653	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.3
60.01685	0.4
61.83074	0.3
61.98830	100.0
65.74417	0.3
69.24329	1.3
71.01394	1.1
82.95419	0.5
84.95118	0.5
85.02932	0.4
89.02478	1.2
91.02931	0.3
100.00370	0.3
101.02467	0.6
113.02460	0.5
113.75500	0.3
135.26801	0.3
173.74438	0.3
178.93378	0.3
179.05693	0.3
188.78419	0.3
196.85474	0.3
283.64777	0.3
295.16608	0.3
308.25360	0.3
318.30521	0.3
365.14395	0.4
365.18274	0.5
424.19458	0.3
425.16449	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03239	2.3
59.01352	2.9
59.35616	2.4
61.98825	5.3
62.76390	2.3
67.21931	2.6
69.02949	2.4
71.01382	20.9
71.17420	2.2
71.46097	2.1
72.99306	4.6
92.92794	10.5
115.00397	3.2
163.37721	2.7
163.70607	3.3
181.12276	3.6
212.13770	2.3
218.14537	2.2
230.60526	2.5
247.20552	3.6
291.19669	19.7
309.20712	100.0
363.87122	2.4
424.16187	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	425.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.7
60.34842	1.2
61.98824	5.1
67.89452	1.1
69.20018	6.5
70.68073	1.1
71.01377	1.4
81.48475	1.1
83.93061	1.5
84.93869	3.8
98.95596	1.3
99.00921	1.6
99.92586	64.8
100.92627	4.0
100.93359	34.3
109.06427	1.2
111.00876	1.5
115.92078	46.0
116.92863	100.0
117.92877	3.3
135.67499	1.2
174.35051	1.1
196.14249	1.4
209.11844	2.3
243.03328	1.3
276.04379	1.7
289.18228	1.4
294.05582	2.2
305.93723	1.2
307.19162	1.7
320.03638	2.0
321.04141	1.7
338.04636	2.9
357.07910	1.7
359.09515	2.4
371.09531	2.7
375.08981	1.2
377.10632	2.3
387.15173	1.3
389.10654	39.1
390.10797	5.7
403.08524	10.2
404.08582	2.5
407.11572	6.9
408.11649	1.5
421.09482	4.8
425.12723	29.9
426.12982	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	425.1455
Annotation	Hymenoside V
Peak:m/z	Relative Intensity
59.01381	7.4
69.24551	1.6
69.44358	0.3
70.35274	0.5
71.01376	3.0
85.02950	1.1
89.02462	2.3
93.03467	0.8
98.21851	0.7
101.02451	2.0
106.04216	1.1
107.05019	0.6
108.02169	0.4
111.00864	0.5
113.02443	1.2
117.03476	0.5
119.03480	0.6
120.73786	0.4
121.02970	2.2
133.02966	15.5
134.03746	50.0
135.04543	32.2
135.05330	0.4
135.05629	0.6
136.04828	1.2
137.02446	12.2
139.04018	3.8
149.02527	0.4
150.03210	1.5
161.02454	9.7
162.02925	0.4
177.02014	0.5
178.02721	7.2
178.15692	0.4
179.03494	22.9
180.03810	1.0
201.09183	3.3
245.08145	3.4
247.09695	1.6
263.09183	0.4
317.25684	0.3
381.15677	0.7
425.14529	100.0
426.14871	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	425.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61067	1.1
59.01365	1.1
61.98832	1.8
71.01380	29.4
72.99304	8.1
73.74804	1.0
83.35503	1.0
92.92798	7.9
113.09766	1.4
115.00361	12.6
115.01048	1.5
116.92877	1.1
133.01431	6.8
165.12900	2.1
181.12364	2.5
182.29915	1.2
195.13841	1.6
197.11780	1.3
211.13564	2.0
226.57050	1.1
240.13570	1.6
247.20645	2.6
281.21124	1.2
291.19617	20.6
292.20328	1.3
309.20703	100.0
310.21027	9.0
407.20718	4.3
425.21930	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	425.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.6
66.81545	1.1
69.51718	4.1
71.01382	26.6
72.99301	7.1
76.91669	0.9
92.92804	12.4
97.93141	1.1
98.22594	1.1
98.68270	0.9
111.08154	2.0
112.39700	1.0
115.00373	4.5
116.90554	1.4
147.31192	1.0
149.63863	0.9
153.09222	0.9
153.12852	2.9
155.10808	1.1
179.14400	1.2
181.12381	2.4
197.11845	2.9
207.14090	1.2
227.12880	1.3
247.20593	2.7
273.18610	1.3
274.94589	1.0
291.19641	22.5
292.20169	2.0
307.19516	1.2
309.20715	100.0
310.21136	9.4
319.22998	1.8
349.15332	1.2
381.18271	1.8
407.20859	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	425.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03896	12.7
51.08385	13.1
54.99744	13.6
59.01377	14.0
61.98832	30.9
69.72062	30.4
71.01373	32.9
82.95421	22.0
96.70122	12.5
99.92574	79.9
108.67957	12.6
115.92061	41.0
116.92852	100.0
135.04437	13.5
185.44769	13.8
208.41338	12.9
289.56461	15.1
309.20499	13.8
311.41827	13.3
393.37665	14.7
425.12637	51.6
425.24551	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95586	0.4
52.46693	0.4
57.03421	0.5
59.01376	5.3
60.01733	0.5
60.99316	0.4
61.98829	100.0
63.49408	0.4
67.01849	0.6
69.03433	0.4
69.20602	2.5
71.01379	3.9
72.01724	0.6
73.02963	0.8
81.43786	0.4
85.02960	3.1
87.00901	1.8
88.98856	0.5
89.02441	2.9
90.02824	0.4
93.03459	2.3
99.04552	1.2
101.02434	2.6
102.02799	0.6
109.02937	0.4
111.04512	0.9
113.02452	0.8
119.03525	0.7
129.45110	0.5
135.04527	5.1
141.92419	0.5
143.16809	0.4
147.04547	1.7
149.04578	1.7
161.02441	7.1
161.04564	0.7
163.04028	4.2
164.56183	0.5
166.82484	0.5
170.45148	0.5
173.04593	1.4
175.03979	3.8
181.03342	0.6
191.01851	2.2
191.05605	18.4
192.99626	0.5
209.02754	16.7
216.99672	1.3
235.00697	4.6
253.01651	2.5
294.16550	1.0
363.16559	3.7
379.16193	1.5
380.16556	1.5
426.15134	0.4
426.20959	1.7
427.07025	32.1
436.01263	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
60.87284	17.6
61.98816	54.3
69.20223	100.0
72.74872	15.8
77.76678	18.7
95.39988	17.5
111.92159	19.4
121.13000	17.6
129.47173	19.5
132.26372	16.6
136.13588	17.9
155.04007	15.5
184.19626	24.5
204.42020	21.9
238.44675	21.2
309.20627	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60585	6.6
57.85715	8.1
59.30797	7.7
61.59615	6.6
61.98825	11.4
79.63581	7.3
85.11211	7.2
94.92513	17.2
96.96004	76.2
99.92602	89.0
100.92611	10.1
100.93332	10.1
115.92082	16.7
116.92854	38.3
118.89987	92.9
119.90764	13.7
127.58690	7.4
134.89473	100.0
135.90262	14.1
141.61598	6.9
188.84024	9.0
194.08727	8.0
325.70630	7.4
372.10403	21.3
390.11395	43.0
394.67310	7.6
404.09140	10.9
426.09525	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	426.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	84.6
61.98820	29.8
68.91997	7.3
92.92785	8.4
97.72291	6.4
99.92600	31.3
100.35015	6.4
115.92123	7.3
116.92845	15.9
118.89974	14.9
162.83913	100.0
204.59792	6.6
281.70316	8.0
293.21201	15.1
297.90308	7.4
426.00394	38.7
426.08829	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	427.07
Annotation	Diethylstilbestrol diphosphate
Peak:m/z	Relative Intensity
51.68259	0.7
59.01376	4.8
61.98828	47.7
62.98524	0.6
67.01887	1.7
69.03429	0.6
69.19313	4.1
71.01388	3.5
73.02940	0.8
81.03449	0.9
81.66511	0.7
85.02953	6.6
87.00875	5.5
88.98797	2.3
89.02439	2.1
92.32293	0.6
93.03460	10.3
99.04524	0.7
101.02444	2.0
109.02911	1.0
110.21153	0.6
111.04527	2.3
119.04990	1.3
120.35219	0.6
127.04003	2.2
133.02982	2.0
135.04523	19.8
136.04842	0.8
145.02989	0.8
147.04492	4.8
158.03729	0.7
161.02441	28.9
162.02856	1.6
163.04001	18.8
164.04309	1.2
173.02417	1.0
173.04549	4.4
174.03238	1.7
174.04721	0.7
175.04001	15.5
176.04523	1.0
178.06326	0.9
191.01801	10.1
191.05602	77.9
192.05919	2.5
192.99594	2.7
201.01871	0.9
202.02681	0.9
209.02771	68.5
210.03079	2.8
216.99609	4.2
235.00690	16.9
236.01044	1.2
253.01718	8.2
364.17136	0.9
427.07025	100.0
428.07346	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	427.101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78423	5.0
59.01378	55.0
59.51120	5.1
61.98828	100.0
71.01376	58.8
73.02946	20.8
77.33368	5.3
81.73207	5.4
82.95444	5.4
83.01375	9.8
84.95113	43.7
85.02956	29.4
87.00885	16.5
89.02452	22.5
93.03471	16.7
95.46537	4.9
97.02938	5.7
99.00891	13.7
101.02448	48.3
105.01950	4.7
109.02928	6.3
113.02459	22.0
125.02370	5.8
133.02974	17.3
135.04507	24.9
147.04587	6.3
161.02489	24.9
161.04509	32.5
173.04578	6.7
175.03926	8.1
179.03505	19.3
191.05577	71.9
203.07027	7.2
209.02774	20.7
221.08270	6.6
230.66875	4.8
235.11821	25.2
259.08200	9.0
264.97913	6.5
265.07251	8.9
266.06113	18.6
271.28619	4.8
301.06213	7.6
326.26593	4.9
367.15948	83.9
391.04349	10.8
391.12503	94.2
392.12607	5.4
399.84567	6.0
411.55414	5.3
427.06390	5.6
427.10681	42.2
427.18433	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	427.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49692	0.9
57.03434	2.5
59.01381	29.3
61.98812	1.2
68.99785	1.5
69.32334	5.3
71.01380	16.4
85.02949	20.2
87.00869	2.8
89.02444	17.3
93.03411	1.8
95.01402	1.1
96.95975	1.3
97.01489	1.0
98.21891	2.5
101.02441	15.0
103.04013	32.3
109.02912	1.2
113.02449	8.0
117.05547	1.2
119.03506	8.0
131.03481	1.1
132.02161	2.0
133.02022	1.6
133.02951	19.9
134.03580	1.5
135.04527	20.2
137.02457	1.0
143.03462	1.4
149.04568	0.9
149.06038	3.3
161.02446	87.8
162.02802	5.6
173.04462	1.9
177.05489	6.5
178.02734	1.8
179.03514	20.7
179.05212	2.0
179.05569	1.6
180.03784	1.7
191.05582	3.3
193.05040	1.2
203.03488	1.5
219.03033	1.5
221.04601	8.1
222.65378	1.0
229.12241	1.2
251.05620	5.7
265.09274	100.0
266.09616	5.7
281.06677	9.2
322.45102	1.2
341.08719	6.6
349.09183	2.4
427.12311	64.0
428.12714	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	427.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70507	0.7
59.01373	0.9
61.98813	2.1
69.03441	0.8
82.97308	0.8
83.93076	1.0
84.93860	4.2
98.22634	1.5
99.92586	45.2
100.92654	2.5
100.93362	39.3
101.93390	1.5
111.00884	5.7
115.92081	40.6
116.92861	100.0
117.92895	4.5
123.04616	0.8
129.66412	0.7
184.58173	0.7
197.99872	1.6
201.17233	0.8
213.17575	0.9
247.04402	1.2
249.05928	1.1
253.01772	0.9
255.03452	1.2
267.09317	0.9
293.04865	11.8
294.05099	2.3
310.04980	1.8
311.05981	2.4
322.05115	12.8
323.05627	1.3
373.11157	14.9
374.11249	2.6
387.09222	2.0
391.12155	21.6
392.12463	3.4
405.10165	5.2
409.13135	3.7
427.14291	27.8
427.20001	1.4
428.14850	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
57.03448	0.8
59.01379	26.4
62.94921	0.5
63.10297	0.4
69.03467	1.4
69.70335	1.6
71.01379	21.2
72.99306	0.7
73.02599	0.6
73.02930	2.6
79.51473	0.5
81.03462	1.0
83.01379	1.9
85.02956	3.9
87.00887	1.2
89.02441	23.2
93.03421	0.6
97.02950	1.9
101.02439	5.6
111.00864	1.2
111.04563	0.4
113.02453	3.3
117.03463	1.1
119.03485	1.0
125.02438	5.1
131.03473	4.5
132.02194	0.5
133.02962	20.6
133.06598	13.4
133.07622	0.7
134.03751	7.4
134.06911	0.5
135.04526	18.3
136.04842	0.6
137.02438	1.6
139.04053	0.6
143.03569	0.7
149.04558	5.1
161.02441	76.8
162.02753	2.4
173.04535	0.9
178.02711	0.7
179.03508	8.0
191.05609	2.3
191.49466	0.5
196.67944	0.5
233.06622	0.7
265.10742	5.0
293.08707	4.0
307.11978	0.6
427.16040	100.0
428.16461	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	427.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.4
55.75620	0.4
56.32306	0.5
57.03449	0.9
58.00610	1.2
59.01377	96.1
60.01712	1.1
69.03455	7.4
69.33759	0.7
69.34163	1.4
69.94512	0.5
71.01379	81.2
72.01724	1.1
72.99312	1.3
73.02551	1.0
73.02944	12.4
75.00855	2.5
79.01891	1.7
81.03458	4.9
83.01385	6.3
85.02946	9.3
87.00896	1.1
89.02442	100.0
90.02769	1.2
95.01382	2.0
97.02947	14.8
99.00255	0.9
99.00880	13.9
99.04492	1.6
101.02441	16.7
105.87280	0.5
106.04229	0.7
107.01376	0.8
111.00863	2.0
113.02449	9.2
115.04012	8.0
119.03478	1.8
123.04488	0.8
125.02443	49.0
126.02755	1.4
127.03975	1.5
131.03500	11.1
131.04523	0.6
131.04999	1.2
132.05832	2.4
133.06595	58.3
134.06921	1.9
143.02554	0.4
143.03497	3.7
149.04552	14.1
150.04793	0.7
161.04546	2.6
173.04503	1.2
191.05609	9.8
233.06656	38.4
234.06863	1.6
293.08786	41.0
294.08981	2.1
410.92761	0.5
427.15665	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45267	1.6
57.03426	2.8
59.01377	63.0
61.98827	27.0
64.59884	1.5
69.03442	1.5
69.31870	8.8
71.01382	30.3
72.01693	2.1
73.02947	15.5
74.06976	1.5
78.26225	1.8
82.95408	2.8
83.01392	9.8
84.95123	12.2
85.02950	21.2
87.00871	3.9
89.02438	7.4
93.03431	2.1
96.95998	1.7
97.02923	2.8
99.00869	7.4
101.02441	33.7
107.15819	1.6
108.02147	3.4
109.02967	1.7
113.02457	12.6
116.61141	1.7
121.02901	2.1
122.77099	1.8
123.04448	2.4
125.02492	3.1
125.03478	1.7
133.02945	3.6
135.04518	4.7
143.03537	2.1
159.02995	3.1
161.02411	7.3
161.04553	15.2
163.03912	3.0
173.04578	2.5
175.04018	1.8
179.03485	3.0
188.04764	6.7
191.05644	15.2
203.07176	4.1
206.05887	2.9
209.02754	4.6
221.08174	10.9
221.10248	63.0
222.10597	2.6
235.11797	4.8
259.07950	2.0
264.97791	2.9
265.07242	2.4
295.13660	2.2
367.16046	100.0
368.16376	6.4
391.12463	17.1
427.01309	2.8
427.10599	8.4
427.17993	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	427.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.3
59.01379	54.5
61.01061	1.1
61.96349	1.0
61.98827	4.1
69.03436	1.0
71.01382	26.8
71.01777	1.4
73.02938	5.3
83.01393	2.2
84.95123	2.9
85.02961	10.0
87.00880	2.5
89.02444	19.0
89.33967	1.4
90.51909	1.0
93.03470	2.6
95.01398	2.2
99.00863	1.4
101.02450	19.3
108.18330	1.2
111.00865	1.4
113.02459	10.8
119.03497	7.8
119.05016	2.2
121.02864	1.2
131.07140	2.6
135.04498	3.9
140.78136	1.1
143.03610	1.1
149.04500	1.2
161.02454	4.6
161.04585	4.1
161.06004	1.1
163.04065	3.1
173.04625	1.4
173.11830	1.8
175.04070	1.5
179.03470	1.4
179.05690	2.5
191.05615	12.5
205.14488	4.5
209.02792	5.0
235.00626	2.6
257.88794	1.2
262.96298	1.3
265.07236	2.2
359.09967	1.3
367.19730	100.0
368.20068	6.5
391.04218	2.2
427.01602	2.2
427.07040	8.8
428.07040	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88025	0.4
59.01380	100.0
60.01707	0.7
61.98835	0.6
62.15601	0.4
65.36680	0.3
69.29285	0.4
69.69496	0.8
71.01406	0.4
88.54555	0.4
91.04003	2.3
92.92822	1.1
98.21931	0.4
99.92593	0.5
108.76733	0.4
118.89997	0.9
120.18446	0.4
135.90195	0.5
171.10303	1.3
185.62813	0.4
186.98250	0.4
195.13905	0.7
211.06705	0.4
275.20197	2.6
293.21216	8.8
294.21518	0.6
336.26294	0.4
374.12021	0.4
449.90540	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36924	12.0
55.82480	11.7
59.01378	65.7
59.01618	11.1
61.84802	11.8
61.87675	11.4
61.98818	36.3
69.34455	39.7
69.34860	20.9
76.08788	12.1
91.03988	20.9
116.92848	15.7
165.51962	12.4
193.52663	13.7
221.15440	100.0
290.97556	12.4
309.20337	14.4
427.14557	16.0
427.27301	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70826	19.3
59.01376	61.6
61.98827	68.3
63.19841	24.1
64.77487	17.8
69.92789	24.3
69.93097	46.8
71.01350	21.8
72.10745	18.7
74.07600	19.2
82.95464	21.1
91.37539	21.3
96.96005	26.7
99.00909	21.2
99.92586	36.7
108.66319	19.6
115.92117	19.6
116.92864	39.3
140.46028	20.4
141.89601	20.3
148.02896	21.2
233.95207	19.4
311.22272	63.7
323.34653	20.2
350.04111	24.5
427.27350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.9
61.98819	1.4
65.02307	1.3
67.40384	1.5
79.95750	1.5
91.52406	1.5
94.92492	2.6
96.96010	61.4
96.96961	3.2
99.92583	100.0
100.92626	3.3
100.93343	9.8
103.29688	1.6
115.92075	18.4
116.92853	22.4
117.92842	1.6
118.89971	95.2
119.90016	2.8
119.90755	9.0
134.89482	40.7
135.89343	1.6
135.90247	26.8
141.93639	2.0
305.04828	35.5
305.08359	1.9
306.04968	4.2
321.06561	1.7
323.05939	41.3
324.06204	4.0
341.02429	5.3
343.85175	1.6
356.11237	1.8
374.11850	8.3
392.12982	48.0
393.13147	6.0
426.40869	1.4
428.10620	24.0
429.10608	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	428.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17936	2.4
53.83534	2.4
59.01374	4.3
61.98820	7.0
69.47707	11.2
71.01386	3.9
94.92455	3.6
96.96012	78.1
99.92583	100.0
100.92638	3.3
100.93359	10.3
115.00321	2.9
115.92092	16.6
116.92858	26.1
118.89975	82.8
119.90742	6.9
134.89485	54.3
135.08076	2.6
135.89436	3.1
135.90285	29.3
135.91220	4.8
151.18088	2.7
201.25447	2.5
284.87448	2.5
297.44952	2.4
305.04837	33.7
306.05029	3.4
311.22458	6.2
312.22705	3.5
323.05939	53.1
324.06149	5.3
341.02411	5.8
374.12012	8.7
375.21591	4.2
392.12982	61.7
393.13095	11.0
427.68689	3.8
428.10489	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	428.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	28.8
69.42184	6.7
71.01376	23.5
73.02943	5.8
78.04386	1.9
83.01387	2.2
85.02948	6.4
89.02441	20.4
101.02429	12.1
109.82867	1.9
113.02438	7.5
119.03522	11.0
127.48314	2.0
133.02977	20.0
134.03775	3.0
135.04514	24.6
138.06938	2.5
143.03539	3.3
152.08437	8.0
153.09171	20.9
161.02437	100.0
161.04385	12.0
179.03481	8.5
179.05594	9.5
205.12347	8.9
223.13353	8.7
385.18582	26.0
428.12686	2.5
429.13980	85.0
429.23117	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	428.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01723	8.6
61.98825	5.4
69.08827	20.1
69.09245	14.6
78.95901	5.7
81.19482	4.7
91.61709	5.4
96.96008	59.6
99.00922	6.4
99.92581	11.6
114.53244	4.7
118.89948	8.4
152.99557	4.7
180.17209	4.9
181.86923	5.3
191.05658	8.2
223.86917	5.7
275.20178	11.7
293.21185	36.6
294.21533	6.7
331.05576	6.0
393.22858	12.2
428.10471	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	428.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71386	6.0
61.98827	8.9
69.38335	16.7
69.38730	11.2
80.31580	8.2
82.25465	6.3
91.05499	6.4
96.96004	69.5
98.22644	13.7
99.92603	100.0
100.92604	6.6
100.93343	11.3
101.78901	6.0
111.68771	6.1
115.92091	16.2
116.92861	33.0
118.89973	96.8
119.82008	7.7
119.90746	9.9
134.89494	61.3
135.90251	24.5
153.03340	6.6
199.55685	6.6
214.04832	8.2
248.76785	6.9
267.82339	6.8
279.81604	7.4
305.04935	16.5
311.22205	8.5
323.05939	43.6
341.02502	10.2
374.12100	12.9
392.12881	52.0
393.12936	7.4
428.10806	17.5
454.97293	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	428.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04804	3.2
50.79507	3.3
54.52187	3.5
58.76862	3.0
59.01366	4.0
61.98832	19.6
66.92141	3.9
72.75095	3.5
74.74960	3.6
79.10351	4.1
96.96016	46.7
99.92587	100.0
100.92566	5.5
100.93292	7.1
115.92068	20.6
116.92879	19.4
118.89982	91.8
119.89980	4.8
119.90762	10.2
134.89497	40.6
135.90295	26.4
226.03023	7.4
305.04871	11.4
311.22333	8.5
312.22269	4.6
323.05823	13.3
374.11932	8.3
392.12900	47.8
393.13171	6.7
428.10516	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28239	0.6
59.01380	40.1
61.98826	1.4
63.10787	0.6
69.23424	3.9
69.68298	0.6
71.01380	17.5
79.00915	0.7
83.01409	1.0
85.02951	2.5
87.00877	26.2
89.02444	21.2
89.03001	0.8
95.01406	3.0
101.02443	12.5
102.26332	0.6
105.01942	2.6
113.02452	8.5
114.83415	0.6
119.03498	10.1
131.03447	0.8
132.24806	0.6
133.02946	9.5
134.03687	2.4
135.04527	17.1
136.04822	1.6
149.06114	3.5
161.02443	35.1
162.02806	1.4
171.79567	0.6
177.05591	6.5
179.03496	12.9
213.39523	0.7
221.04536	5.3
251.05588	1.8
267.07199	100.0
268.07574	4.6
281.06720	5.1
315.07108	1.3
341.08710	1.1
429.10327	60.4
430.10721	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	429.14
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.03466	0.6
59.01383	9.2
61.98842	0.9
69.41949	1.2
69.42340	0.8
71.01387	5.9
73.02959	1.6
83.01385	1.0
85.02969	2.3
89.02444	3.9
92.55843	0.4
95.01416	0.9
99.00914	0.5
101.02436	4.5
105.05576	0.7
107.05031	0.6
109.02971	0.4
113.02472	2.1
117.03484	1.2
119.03490	0.7
132.02199	1.7
133.02962	31.5
134.03792	2.3
135.04529	16.0
136.04863	0.4
149.06059	0.5
153.05611	0.4
161.02448	100.0
162.02776	3.7
163.04057	0.5
175.16576	0.6
179.03485	8.7
207.06830	0.5
252.38625	0.4
267.08694	0.8
278.80750	0.4
429.13809	77.5
430.14099	8.3
430.18927	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.6
61.98843	1.0
68.99817	1.1
69.03439	0.9
69.21227	3.3
71.01384	6.8
73.02948	2.3
83.01373	1.4
84.87138	0.6
85.02950	2.5
89.02446	3.4
93.03455	1.7
101.02443	7.2
105.03417	0.7
108.02184	2.2
109.02990	1.4
113.02461	2.9
117.03471	1.5
119.03495	1.0
124.04992	0.6
125.29915	0.7
132.02191	1.5
133.02957	27.5
134.03717	1.1
135.04530	21.7
143.03322	0.8
147.60625	0.8
152.01146	2.3
153.01900	1.8
161.02444	100.0
162.02768	3.4
165.05574	1.0
179.03502	10.2
267.08817	3.6
315.07291	2.4
345.52573	0.7
387.20242	2.1
396.56122	0.8
429.14020	85.5
430.14267	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	429.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.9
59.76170	0.4
65.23415	0.3
69.53410	1.3
71.01391	3.9
72.77300	0.4
73.02938	1.3
74.02480	0.5
77.19244	0.4
83.01396	0.6
85.02958	2.0
87.00895	0.6
89.02447	2.1
92.04424	0.4
97.02950	0.4
101.02436	3.6
105.03448	0.7
105.05594	0.8
113.02444	1.7
117.03471	1.2
119.03526	0.7
123.04560	0.7
132.01331	0.4
132.02206	1.7
133.02960	29.0
134.03738	0.8
135.04524	8.1
137.66692	0.4
159.04445	0.4
161.02446	100.0
162.02788	3.8
179.03484	5.1
191.05751	0.5
220.49773	0.4
267.07001	0.9
316.31451	0.4
373.11459	0.5
385.20605	0.6
424.62463	0.4
429.14014	61.8
430.14355	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	429.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.4
61.98823	4.5
66.76141	1.0
71.01363	1.4
71.45932	1.8
72.99300	5.9
74.39233	1.1
81.14864	1.4
84.93883	4.3
89.02428	1.6
95.81922	1.1
99.92582	49.2
100.92700	1.4
100.93367	38.5
115.92073	59.9
116.92862	100.0
117.92883	4.1
125.02505	1.4
131.00916	1.2
139.11252	1.5
146.96373	1.2
161.02423	1.8
211.13542	1.2
263.03848	1.3
264.97952	1.1
267.03241	2.2
293.04886	14.6
294.05191	2.1
310.05457	1.6
329.23297	1.3
375.12659	21.0
376.12900	2.7
389.10733	2.0
393.13742	41.3
394.14139	4.3
407.11615	10.2
408.11880	1.5
411.14777	7.6
412.15237	1.6
429.15912	44.2
429.21179	3.2
430.16412	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	429.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
59.01377	21.3
69.71342	3.3
69.71687	1.5
71.01376	25.6
71.10709	0.9
72.99323	1.2
73.02940	14.2
83.01386	3.7
85.02946	13.4
87.00873	3.0
89.02436	9.9
95.01357	1.1
96.70943	0.8
97.02962	2.3
99.00870	4.8
101.00938	1.0
101.02440	29.1
111.00893	1.4
113.02452	11.0
115.04006	2.3
117.00446	2.3
125.00970	1.0
125.02433	2.8
130.08728	8.5
131.02026	2.6
131.03473	1.6
141.00430	6.3
141.01395	1.0
143.02054	1.0
143.03535	1.6
149.04523	1.2
157.03566	3.4
159.02988	2.5
161.04544	16.4
167.02066	1.4
168.99925	2.8
174.99327	1.5
189.01141	1.0
191.05710	1.2
198.99480	1.5
201.01012	1.6
208.97873	1.8
211.00983	2.5
212.01180	1.1
217.00385	4.0
225.01083	1.7
231.02213	1.9
233.06645	1.5
237.09778	28.6
238.10132	1.1
241.00499	8.0
250.98979	2.8
257.03717	3.8
259.01526	2.0
267.01917	1.5
272.09818	1.5
273.03131	3.1
283.01624	3.9
288.07693	9.0
293.00055	9.3
294.00186	1.4
299.01154	1.1
308.99579	1.3
336.99017	1.8
339.00595	3.2
369.13977	100.0
370.01797	1.2
370.14377	5.3
430.08575	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	429.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.5
58.00572	1.3
59.01378	100.0
60.01711	1.5
71.01379	47.3
71.01782	2.6
72.99302	1.5
76.51271	1.0
81.07118	1.6
85.02945	8.5
89.02441	55.2
95.01366	3.5
95.36808	1.0
98.03748	1.3
99.04521	6.8
101.02446	26.1
111.04503	3.0
113.02448	17.5
119.03495	26.1
128.03200	1.1
131.03461	1.9
143.03490	4.8
149.04550	2.6
161.02412	2.1
161.04538	3.3
161.13353	18.7
179.05582	10.9
187.11263	4.1
205.12318	65.9
206.12656	4.4
206.43681	1.2
223.60210	1.1
249.11305	80.8
250.11603	6.2
385.18683	2.5
429.17566	27.4
430.17834	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	429.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45245	0.2
61.98814	0.3
62.55429	0.2
66.42598	0.2
70.80761	0.4
71.09066	0.2
72.01629	0.3
77.68945	0.3
84.93867	0.6
85.71495	0.3
93.49868	0.3
98.95448	0.3
99.00877	0.5
99.92587	6.0
100.93364	48.4
101.93384	2.1
113.66199	0.3
115.92078	100.0
116.92091	3.3
116.92866	8.1
129.44545	0.3
132.92354	1.1
139.67775	0.4
142.94453	0.5
154.94395	0.5
155.95308	0.3
172.93987	0.6
172.95480	10.0
173.95563	0.6
255.23354	0.9
262.33994	0.3
300.65207	0.3
355.15683	0.4
381.17462	1.0
411.18689	0.4
429.19492	9.1
430.19827	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
59.01379	100.0
60.01720	1.0
60.11077	0.4
60.65215	0.5
68.99825	1.0
69.03435	0.6
71.01383	16.2
73.02939	2.4
75.00881	1.6
83.01386	1.1
85.02944	4.6
87.00880	1.1
89.02444	19.7
93.03506	1.2
95.01435	0.7
95.05001	0.6
99.00898	0.9
99.61506	0.4
101.02447	10.8
101.03087	0.7
113.02454	8.0
119.03505	8.2
121.06602	1.0
129.01907	2.6
131.03514	1.4
135.04539	1.0
137.09735	2.0
138.02748	0.5
143.03539	1.8
147.02994	4.0
147.06645	0.9
149.04581	1.3
151.04039	0.7
153.05637	0.7
161.02457	1.4
161.04561	3.4
161.13423	1.3
173.04633	1.3
179.03392	0.6
179.03976	0.7
179.05605	7.0
179.06958	0.7
191.05617	1.0
205.12355	1.3
229.41380	0.5
249.11287	7.8
250.11702	0.7
255.16092	2.2
297.13544	2.6
327.07465	0.7
397.11554	0.6
429.17151	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	429.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98835	1.0
67.68996	0.5
69.34789	2.0
78.16895	0.4
89.02480	0.6
91.04025	2.2
94.31318	0.5
96.96020	1.2
98.22704	0.4
99.92575	1.0
116.59836	0.5
118.89970	0.6
136.01723	0.5
195.13988	1.0
199.75952	0.4
250.58118	0.4
255.16132	1.5
277.21875	1.1
285.17258	0.7
295.22748	14.5
296.23135	1.3
305.28821	0.4
355.68652	0.5
419.29950	0.5
429.09988	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38291	2.1
59.01384	4.7
60.08018	2.1
61.98832	20.4
71.45564	1.9
76.83614	2.0
96.96011	47.9
99.92586	100.0
100.92599	5.9
100.93375	8.5
115.92065	15.2
116.92851	23.5
117.03506	2.2
118.89979	77.7
119.90004	3.9
119.90794	6.7
123.73061	2.1
133.75473	2.0
134.89484	34.1
135.90247	20.8
140.18262	1.8
141.93686	2.9
142.20837	2.2
160.84210	2.6
172.22279	2.2
239.03523	2.3
240.04251	2.9
268.03741	43.4
269.04544	8.9
294.05417	3.0
305.04828	17.3
323.05957	28.3
341.02527	3.8
376.13461	8.8
377.13535	2.9
394.14423	37.7
395.14667	6.6
430.12030	28.0
431.09576	29.4
431.23041	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	430.135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62995	3.8
59.01376	46.5
60.34790	2.8
61.98827	9.6
68.69036	2.6
69.03446	5.7
71.01369	28.8
72.99302	3.8
73.02948	4.5
77.22253	2.9
85.02981	5.4
89.02442	31.8
93.00819	3.0
93.03451	6.4
95.01395	6.0
101.02422	21.8
109.02943	3.9
113.02422	8.9
119.03498	9.6
123.04526	36.2
125.02451	4.2
133.02925	6.1
135.04500	11.0
136.04819	6.8
149.02419	4.0
155.03508	12.8
161.02454	10.0
162.02747	7.1
168.00682	5.0
173.04562	5.5
179.03430	4.6
179.05687	5.1
180.03793	5.9
191.05576	4.3
202.64917	3.5
225.07666	3.7
247.29362	3.0
251.08736	3.0
263.23901	3.6
265.51205	3.0
268.03848	4.8
269.13925	6.9
312.39658	3.3
363.27798	3.2
430.14157	13.3
431.10907	7.1
431.19254	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	430.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04737	17.6
59.01372	100.0
69.13029	48.0
69.13434	67.8
71.01373	59.0
89.02450	83.9
95.01376	23.1
98.21873	43.3
101.02428	67.1
113.02428	26.2
116.95354	18.3
119.03472	31.0
123.04566	22.4
155.03513	48.4
161.02383	21.8
179.05566	42.1
208.31372	21.0
225.07602	23.6
261.17844	22.9
370.02390	18.3
430.62866	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	430.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	98.9
69.03455	31.7
69.14166	38.7
69.14556	64.6
71.01376	63.2
89.02470	100.0
101.02431	75.5
119.03477	44.2
123.04517	28.8
124.43222	16.1
135.04436	18.9
155.03537	31.6
179.05588	40.2
219.71828	16.6
327.68576	19.9
396.36737	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
65.12034	14.4
69.36046	71.6
71.01369	40.7
72.34443	14.3
89.02446	72.6
94.29433	16.3
95.01386	17.8
96.01950	14.9
98.21889	30.0
101.02448	42.5
112.97167	17.7
113.02435	21.2
119.03471	40.1
123.04500	25.0
149.04494	18.4
155.03471	43.7
179.05714	22.4
225.07722	16.2
254.13719	17.2
291.13052	15.1
395.87167	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	430.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98835	6.1
68.99834	7.5
69.03453	15.2
69.07238	41.3
71.01387	53.3
73.02950	10.1
77.99026	5.1
83.01379	6.3
85.02960	10.7
87.00870	21.7
88.01222	5.3
88.98813	7.3
89.02448	67.5
93.03429	20.3
95.01376	13.8
97.02927	7.7
98.22749	10.3
101.02450	34.5
102.02737	6.1
111.04556	8.0
113.02459	17.7
119.03487	21.0
121.02943	7.7
123.04539	12.5
127.03996	21.3
131.03499	8.8
133.02992	27.7
134.03284	14.9
135.04500	23.5
136.04836	14.8
136.12358	5.8
149.04538	14.1
153.05554	9.1
155.03513	39.1
156.22079	6.6
161.02438	81.3
161.04471	8.4
162.02786	73.2
173.04553	19.4
179.05630	9.8
180.01215	5.7
180.03920	8.2
191.05618	11.1
202.58629	6.4
217.46886	5.8
232.04384	7.8
251.05612	5.3
267.07147	34.3
268.07526	30.9
297.06406	7.4
297.09756	7.6
299.11630	5.6
329.08627	12.2
371.13535	19.5
405.87924	5.7
430.09674	18.3
430.15106	87.7
431.15692	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	34.5
64.66781	5.3
67.01887	7.5
68.99822	12.1
69.03452	8.5
69.11617	28.7
71.01376	28.8
82.52972	5.9
85.02929	10.0
89.02450	28.6
93.03449	70.3
95.01395	27.0
97.57558	6.4
98.22614	11.3
101.02421	42.5
108.02181	6.1
109.02966	9.7
113.02446	12.8
119.03509	12.0
120.88015	6.5
123.04494	34.9
123.15208	6.7
127.03942	5.8
137.02434	69.7
149.02484	9.2
149.04509	5.9
153.01901	7.4
155.03506	100.0
161.04572	8.9
163.54274	8.6
173.04556	24.9
179.05624	20.6
268.03665	14.3
268.09079	17.7
285.54089	6.1
297.06290	7.6
297.09741	10.8
329.08740	22.2
367.10184	17.5
385.15030	9.9
387.20044	7.9
399.12753	11.2
430.14465	12.2
431.15558	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05984	17.4
59.01387	23.6
62.55986	16.0
63.42194	16.4
68.99819	23.9
69.48219	80.3
71.01389	25.3
85.83147	17.0
87.88650	18.3
96.06723	19.4
101.02441	80.3
103.93916	17.0
161.02458	29.8
162.02846	16.4
178.51598	18.3
184.76047	17.0
225.07652	100.0
341.70923	17.7
385.18704	21.1
388.00470	20.7
404.58823	17.9
429.15479	19.8
430.14261	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	430.208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00910	21.2
59.01369	96.2
64.83662	25.1
71.01361	100.0
73.02937	30.7
85.02941	28.0
89.02447	67.2
92.29174	22.0
94.20859	20.2
101.02413	66.9
113.02434	48.4
142.64764	25.0
161.02409	36.2
161.04529	77.0
284.45847	24.2
333.90439	26.4
387.20142	73.8
423.26959	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.7
61.98829	100.0
69.24691	8.9
75.18073	1.8
78.95893	1.8
79.14780	1.8
89.01172	1.8
96.96003	11.8
99.92570	11.8
105.09240	1.8
114.69759	1.6
115.92120	1.9
116.92880	2.9
118.89973	5.7
120.89693	7.4
135.90268	1.7
136.89247	2.3
147.71466	1.6
152.99716	2.4
160.84157	3.0
162.06329	1.7
204.02292	1.8
226.02910	2.5
268.03775	45.7
269.04489	10.9
303.63828	1.8
305.79572	1.8
374.02411	1.7
374.12347	2.1
394.14301	2.2
430.11581	2.1
431.09778	35.0
431.32120	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	430.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06420	3.9
61.15062	3.8
67.87796	3.9
74.64330	3.9
74.82098	4.1
133.23996	4.6
152.99542	4.9
209.38246	5.0
221.11566	4.5
233.19046	14.9
268.03793	33.7
269.04538	4.9
301.17831	47.0
319.18906	100.0
319.22580	6.0
320.19104	7.7
363.17755	33.6
364.17889	5.6
365.26926	4.2
387.25186	55.6
388.25226	4.9
423.11639	4.4
430.25534	40.5
431.09613	33.1
431.24622	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	431.0976
Annotation	Apigenin 7-O-glucoside
Peak:m/z	Relative Intensity
55.93133	0.4
59.01381	12.1
61.98846	0.4
63.02402	0.6
65.00334	0.8
69.03456	0.6
71.01385	3.3
71.45355	0.4
72.99320	0.4
73.02966	0.5
77.44836	0.3
83.01390	1.1
83.74765	0.3
85.02945	1.4
88.98824	0.7
89.02439	2.3
93.03471	1.2
99.04519	1.3
101.02469	2.2
107.01385	1.7
108.02193	0.4
109.02942	0.5
113.02454	1.0
117.03445	1.7
119.03513	0.9
121.02911	0.4
125.02486	0.4
133.02994	0.8
135.04503	1.6
137.02454	1.0
148.01601	0.6
149.02429	1.5
149.99538	0.5
151.00381	2.8
155.03487	0.6
159.04530	0.4
161.02437	2.6
169.01433	0.6
171.04536	1.0
172.05301	1.2
173.04561	1.0
179.03462	0.7
181.05170	0.4
191.05582	0.9
195.04575	0.5
196.05231	0.6
200.04744	1.0
207.13867	1.7
211.04070	1.8
212.04784	0.7
213.64621	0.4
225.05496	0.5
227.03546	0.5
239.03477	3.5
240.04228	3.3
241.38702	0.4
244.56097	0.4
251.12875	7.1
251.16486	0.9
267.02856	1.7
268.03766	100.0
269.04468	29.0
270.04782	1.7
284.03278	1.2
285.04022	5.9
286.04178	0.6
311.05502	0.9
379.65646	0.4
431.09799	73.9
432.10071	6.3
447.09131	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0981
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
50.57709	0.1
55.12949	0.2
63.02391	0.9
65.00324	0.6
69.18034	0.6
69.18439	0.3
83.01386	0.6
107.01385	1.6
117.03449	1.6
121.02879	0.2
137.06091	0.2
148.01624	0.3
149.02431	1.4
149.99565	0.6
151.00352	3.1
159.04538	0.3
167.05081	0.2
168.05788	0.3
171.04478	0.6
172.05278	0.8
183.04503	0.3
184.05272	0.5
189.25108	0.2
195.04544	0.3
196.05247	0.5
198.03215	0.2
199.03943	0.2
200.04770	0.7
201.05498	0.4
211.03987	1.5
212.04742	0.8
224.04758	0.3
225.05580	0.5
227.03500	0.4
239.03455	3.0
240.04251	4.3
241.04742	0.3
267.02954	1.7
268.03745	100.0
269.04446	28.0
270.04874	1.6
281.04581	0.3
282.05322	0.2
283.06134	0.6
298.94919	0.2
311.05499	1.1
341.06345	0.2
386.41064	0.2
431.09796	76.4
432.10141	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	431.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.6
60.99014	0.8
60.99306	14.0
71.01371	1.6
87.00883	0.6
88.98804	100.0
89.02441	9.2
89.99125	1.0
96.67068	0.4
98.23624	0.4
101.02406	0.7
109.02962	0.8
137.02441	18.5
138.02731	0.6
152.01160	0.6
153.01959	0.6
179.05609	0.5
191.05586	1.2
195.06770	0.4
217.82475	0.4
341.10934	2.0
431.11526	3.3
442.46326	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34530	0.2
59.01374	1.6
61.98836	0.4
68.99867	0.2
69.03445	0.1
69.49360	0.2
69.69328	0.7
71.01401	0.3
81.03476	0.3
84.56987	0.1
88.04061	0.1
88.98804	0.2
89.02486	0.3
93.03467	0.6
95.01406	0.5
97.02928	0.2
101.02477	0.4
108.02164	0.7
109.02961	0.6
113.02516	0.2
120.60713	0.1
121.02998	0.2
121.94581	0.1
123.04527	0.3
127.04089	0.2
127.05131	0.1
131.03499	0.2
136.01657	1.4
137.02451	100.0
138.02786	2.9
145.06200	0.3
155.03514	2.0
160.07426	0.1
173.04582	0.2
179.03564	0.3
209.08105	0.3
288.50476	0.2
297.06332	0.2
329.08737	0.3
357.66550	0.1
387.18457	0.3
431.11722	6.8
431.21500	0.3
432.12039	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
59.07046	0.2
66.14256	0.2
69.63670	0.4
71.01355	0.4
78.58871	0.2
81.03453	0.4
88.98824	0.4
93.03469	0.5
101.02448	0.3
108.02163	0.6
109.02979	0.6
136.01677	1.7
137.02448	100.0
138.02785	3.0
140.90138	0.2
144.47670	0.2
155.03534	0.6
245.95906	0.2
431.11914	23.7
432.12335	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	431.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57403	0.3
59.01377	7.9
71.01382	5.6
72.99306	0.7
73.02930	0.8
75.21700	0.4
78.98315	0.4
81.81223	0.5
85.02943	1.4
87.00860	2.2
88.98801	2.4
89.02441	100.0
90.02769	1.5
90.52726	0.3
91.78324	0.4
93.03448	0.5
95.49630	0.4
99.00964	0.3
101.02441	3.2
105.01919	2.2
108.02164	0.7
108.22340	0.3
109.02960	1.9
113.02460	2.1
117.01937	1.7
119.03528	2.3
119.78806	0.4
127.03947	0.4
133.01466	0.4
133.05078	1.6
135.02965	0.5
135.04501	0.8
137.02444	19.7
138.02805	0.4
143.03471	0.8
149.04517	0.7
152.01172	0.9
153.01895	0.9
161.04517	1.0
179.03426	0.7
179.05649	3.4
191.05608	10.5
258.50577	0.4
269.04550	0.5
341.10867	16.1
342.11383	1.3
370.09805	0.4
431.11844	5.6
432.12378	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	0.5
59.01379	8.9
60.99293	0.6
71.01378	5.9
72.99287	0.8
73.02949	1.7
75.00860	0.8
85.02937	2.5
87.00884	2.3
88.98815	3.7
89.02444	100.0
90.02780	1.3
93.03464	1.2
101.02451	2.9
105.01937	2.9
108.02257	1.1
109.02927	2.1
113.02445	2.2
117.01967	3.1
118.37275	0.7
119.03493	3.2
129.01971	0.5
133.01445	0.8
133.05098	1.9
135.03000	1.3
137.01421	1.1
137.02449	17.4
143.03485	0.5
149.04549	0.9
152.01169	1.2
153.01909	1.3
161.04555	1.2
167.62823	0.5
179.05635	4.0
191.05612	24.3
192.05943	1.3
220.08792	0.6
268.75861	0.5
288.74725	0.5
303.99670	0.5
340.35330	0.5
341.10883	18.6
342.11154	1.4
411.00040	0.5
431.11795	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1557
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
51.09373	1.3
51.39698	1.1
54.84325	1.1
55.01886	1.3
59.01378	83.6
62.55229	1.3
62.89220	1.4
64.23587	1.4
66.79468	1.2
67.01887	2.2
68.99819	1.9
69.03458	5.6
69.23437	6.8
71.01381	57.6
73.02943	19.7
81.03448	1.5
83.01414	2.9
85.02962	9.2
89.02443	100.0
93.03464	9.4
95.01373	7.6
97.02972	2.2
99.00875	21.3
101.02441	42.0
109.02918	1.8
111.04543	2.7
113.02461	9.2
116.29243	1.0
117.90279	1.4
119.03505	4.3
119.05022	8.2
123.00884	2.2
123.04530	8.9
125.02448	7.1
127.04038	4.3
131.03497	24.2
133.02957	2.2
137.02481	1.3
137.06123	2.6
149.02672	1.9
149.04552	59.4
149.99570	1.3
153.05627	1.2
155.03500	38.7
161.02499	4.0
161.04579	1.9
162.02806	2.3
168.00700	2.8
173.04561	7.7
179.03482	1.6
191.05621	17.3
194.05807	2.8
209.08344	2.3
221.06755	1.8
241.05521	1.2
251.07780	3.8
267.69504	1.3
268.03894	1.3
297.06323	3.0
297.09784	3.2
329.08658	7.7
367.10287	4.3
371.13681	4.2
385.14883	5.6
399.12793	3.5
431.15662	56.5
432.16052	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	431.1556
Annotation	8-O-Acetylmussaenoside
Peak:m/z	Relative Intensity
55.01883	6.5
57.03452	3.4
58.00607	0.7
59.01378	100.0
61.98824	5.2
68.18401	0.7
68.99822	1.3
69.03464	3.2
69.35121	2.6
70.03844	0.7
71.01381	62.5
72.99337	1.0
73.02944	21.1
75.00874	1.1
77.49176	0.6
81.03464	1.3
83.01391	9.7
84.01723	0.7
85.02953	26.2
85.03467	1.5
87.00887	2.9
89.02441	11.6
93.03473	2.7
93.16971	0.8
95.01386	7.4
97.02971	2.9
99.00878	6.1
101.02441	58.1
111.00875	1.6
113.02449	25.0
114.02800	0.7
119.03491	5.1
121.28412	0.7
123.04505	3.4
125.02442	4.8
127.03973	1.0
129.01915	1.1
131.03517	1.6
137.02409	1.0
141.01962	0.9
143.03520	3.8
155.03500	15.3
155.04684	0.9
159.03017	5.6
161.02417	2.1
161.04559	38.6
162.04892	1.1
163.97983	0.8
173.04553	2.2
176.04808	1.3
179.03438	4.4
179.05652	1.6
194.05905	4.5
209.08188	11.3
221.06638	1.0
245.06638	2.2
263.07724	2.0
269.10281	40.4
270.10706	2.0
297.09821	1.1
329.08875	1.7
431.15616	44.8
432.15982	3.3
436.58990	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
59.01381	7.2
64.47434	0.5
65.03953	0.6
67.01885	4.7
68.99811	7.4
69.03455	8.4
69.19700	3.2
71.01382	7.0
73.02947	0.9
74.97912	0.5
81.03447	1.9
83.01377	0.6
83.05009	1.1
85.02934	2.9
87.00874	2.3
89.02434	2.9
90.54858	0.5
93.03458	25.1
95.01386	21.7
95.02006	1.0
95.05022	2.0
96.01682	0.6
97.02969	3.4
99.00906	0.8
99.81824	0.5
101.02443	11.5
108.02208	0.7
109.02953	2.0
111.00880	0.8
111.04527	4.0
113.02467	0.9
119.03519	0.8
121.02972	4.7
123.00894	2.1
123.04522	26.5
124.04839	1.3
125.02444	2.0
127.04012	7.3
132.29802	0.6
135.04521	0.7
137.02444	11.6
141.01938	2.9
149.02425	7.5
149.04385	0.6
149.06093	1.0
149.99596	0.7
153.05588	1.9
155.03502	100.0
156.03828	3.8
156.16277	0.5
157.05035	1.1
161.02406	0.8
161.04494	0.6
165.05479	0.8
168.00659	2.1
173.03047	1.1
173.04552	20.9
174.05019	0.6
175.04091	0.7
181.05063	3.8
191.05629	2.2
193.05006	3.1
209.04553	1.8
215.05600	0.6
225.07642	3.6
257.10373	0.8
260.42398	0.6
268.03793	1.9
269.04578	0.8
290.34122	0.5
295.05139	0.7
297.06165	5.5
297.09839	8.7
329.08746	17.8
330.09216	1.5
364.12183	0.6
367.10297	9.4
368.11139	0.6
371.13477	1.9
385.14935	4.3
399.12915	7.1
400.13452	0.6
431.15591	33.5
432.15799	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	431.1555
Annotation	Zizybeoside I
Peak:m/z	Relative Intensity
55.01870	4.5
57.03434	4.2
58.35178	1.2
59.01377	100.0
60.99295	1.4
61.98820	4.2
67.01881	2.6
68.99787	1.2
69.03463	3.9
69.35020	4.9
71.01379	61.6
72.32382	1.2
72.99304	1.9
73.02945	19.0
81.03452	1.4
83.01390	5.9
85.02949	22.5
86.10700	1.1
86.69582	1.1
87.00866	5.0
88.98806	17.6
89.02441	33.5
91.66774	1.2
93.03451	4.5
95.01373	7.8
95.05024	1.8
97.02921	2.8
99.00873	4.0
101.02444	47.9
108.02167	13.1
109.02953	18.6
113.02446	21.7
119.03506	8.3
119.05016	8.8
121.02935	2.2
123.04538	7.1
125.02436	3.6
127.04009	6.2
131.03485	4.6
133.05058	4.5
137.02443	2.7
137.05983	1.2
143.03517	3.0
143.30475	1.2
149.04544	5.4
152.01135	17.4
153.01933	14.0
155.03510	20.2
159.02971	2.3
161.02419	2.3
161.04555	16.4
165.48441	1.1
173.04532	2.6
176.04936	1.0
179.03502	3.3
179.05553	3.7
179.06981	1.0
191.05591	3.0
194.05862	4.8
209.08171	6.9
269.07617	1.7
269.10300	19.8
297.06055	2.8
299.11395	7.7
315.07089	2.8
329.08771	2.5
387.09558	1.1
431.11200	13.1
431.16522	37.0
432.11285	1.9
432.15897	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.8
57.11122	0.6
59.01377	8.5
59.40366	0.7
61.98821	0.6
64.68252	0.7
67.01878	3.6
68.99812	6.5
69.03454	7.4
69.08504	3.6
69.08907	1.2
71.01376	7.7
73.02961	1.2
81.03452	1.3
83.05027	1.5
85.02948	1.8
87.00879	1.4
89.02444	3.5
93.03456	18.7
95.01385	20.0
95.05022	1.3
96.01685	0.7
97.02950	1.9
99.00876	1.1
101.02439	10.1
106.75197	0.6
106.90688	0.7
108.02164	0.7
109.02975	1.0
111.00887	0.7
111.04523	3.1
111.85896	0.6
113.02477	0.9
119.03497	0.6
121.02956	1.7
123.00895	1.5
123.04527	24.7
125.02503	0.7
127.04039	4.5
137.02451	1.8
141.01888	1.2
149.02483	4.6
149.04555	1.3
149.06131	1.2
153.05495	1.3
155.03502	100.0
156.03825	2.6
157.05017	1.5
161.02467	0.9
173.04535	15.2
191.05643	1.9
193.05008	3.2
197.41101	0.6
204.54240	0.7
215.05606	0.9
219.46530	0.7
223.25348	0.7
225.07735	1.7
232.72437	0.8
269.07672	1.5
269.10242	1.0
297.06161	5.2
297.09805	8.0
329.08734	17.3
330.09106	1.0
367.10278	7.8
368.10455	0.8
371.13474	1.7
385.15036	2.1
399.13040	5.3
431.15570	46.5
432.16025	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	431.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
59.01379	41.8
69.33816	0.6
71.01379	19.3
72.99288	0.5
73.02942	0.7
75.38715	0.5
83.01373	1.0
85.02955	4.1
87.00876	0.7
89.02444	16.1
95.01399	1.2
96.80347	0.5
98.03749	0.9
99.04520	28.5
99.06576	0.5
101.02438	7.0
106.44241	0.6
111.04571	0.6
113.02448	5.4
119.03481	5.4
121.06609	1.1
125.73345	0.5
161.04541	0.8
179.05524	0.7
189.12839	5.7
200.14479	0.6
207.13892	29.1
208.14278	1.5
233.11899	1.3
239.68175	0.5
251.12877	100.0
252.13210	6.2
268.03741	14.7
269.04453	5.2
271.95840	0.7
285.04117	0.7
365.73294	0.5
431.10086	11.7
431.19165	38.1
432.10220	1.4
432.19485	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	431.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87627	0.2
62.15773	0.2
62.96407	0.2
68.99622	0.3
69.46868	1.1
70.87417	0.3
78.95904	49.3
96.95982	0.8
96.96964	6.9
115.38938	0.3
115.43484	0.2
118.93156	0.2
130.01192	0.2
146.78120	0.3
150.98015	2.0
152.99586	100.0
153.99944	1.6
160.72556	0.2
171.00644	4.5
196.62936	0.2
208.39702	0.2
268.03769	2.4
269.04495	0.8
277.21765	0.7
294.59885	0.2
371.14676	0.3
431.09787	2.1
431.22021	7.6
432.10120	0.4
432.22430	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34163	0.2
59.01383	0.4
62.96405	0.2
66.47980	0.2
69.15444	0.6
69.15855	0.8
70.09282	0.2
78.95901	52.2
96.96961	6.4
111.94454	0.3
116.62578	0.3
150.98024	1.6
151.00392	0.3
152.99586	100.0
153.99855	1.2
171.00648	4.5
237.11899	0.2
268.03775	8.5
269.04501	2.4
277.21646	0.7
299.72842	0.2
311.19852	0.2
318.91278	0.3
346.87662	0.2
395.24353	0.9
431.09824	7.4
431.21970	6.9
432.09933	0.5
432.22104	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.3
61.98831	100.0
71.01374	0.6
85.02948	0.3
86.58681	0.3
89.02446	0.7
101.02468	0.6
109.02995	0.4
125.02464	0.6
126.98908	0.3
130.08722	2.5
133.02966	0.4
137.02446	3.5
138.01912	0.5
138.02827	1.5
181.05089	0.5
191.05704	0.5
210.77264	0.3
211.00969	0.4
255.03755	0.4
274.09805	0.5
287.00717	0.3
288.07648	2.6
342.00909	0.6
372.02106	0.3
372.15311	0.6
373.04324	1.2
432.12543	1.1
457.69855	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.151
Annotation	Unknow
Peak:m/z	Relative Intensity
60.35323	13.1
62.36646	13.6
67.01876	19.2
68.99825	24.5
69.62933	30.4
69.63319	34.7
79.29233	14.0
101.02457	100.0
125.02483	13.7
127.04040	58.7
157.67006	16.0
159.69910	12.7
227.09286	99.5
417.45752	15.0
427.60703	14.5
432.12137	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82544	7.0
59.01383	100.0
68.99840	7.8
69.03453	25.0
69.16380	36.9
70.20938	6.1
71.01388	35.3
73.02953	6.9
75.21400	7.0
81.03408	5.6
82.08920	6.3
85.02983	8.4
89.02435	66.7
98.21864	11.7
101.02445	57.1
110.12804	6.4
113.02447	18.7
119.03501	19.6
123.04485	8.5
124.01754	7.1
133.02968	7.1
149.99582	6.9
155.03505	14.6
157.05038	20.1
161.02394	11.3
168.00671	11.3
173.40634	6.2
179.05579	8.3
191.05725	12.3
227.09192	19.5
252.13116	6.7
312.52002	6.4
432.12399	29.8
432.19577	45.1
433.20694	21.8
443.59674	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	432.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54896	1.0
53.72379	1.0
59.01379	7.3
60.54749	1.0
61.98829	100.0
70.44604	1.4
71.68874	1.4
78.95898	3.1
91.35560	1.0
99.19071	1.1
103.01492	3.5
145.93826	1.0
146.03322	1.2
152.99557	3.6
155.29716	1.1
162.83861	1.2
163.79767	1.3
268.03735	6.3
269.04089	12.9
270.04883	3.5
288.61771	1.1
306.41440	1.3
330.65341	1.3
338.22000	4.8
432.10153	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	432.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.0
61.98821	10.9
69.69001	13.1
101.02431	4.1
150.58430	4.4
166.51192	3.8
224.03407	3.9
241.04665	5.5
268.03723	41.0
269.04147	100.0
270.04901	23.3
307.17798	4.2
406.65051	4.6
432.10132	93.2
433.10251	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	433.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	64.4
69.48193	5.1
69.65863	1.1
70.84804	1.1
71.01381	6.0
71.62912	1.1
81.03453	10.8
83.01376	6.3
85.02929	2.6
87.00864	1.7
89.02444	3.8
93.03469	2.2
95.01395	2.1
97.02968	3.0
99.00900	1.4
101.02451	3.4
102.92744	1.1
109.02930	3.2
109.18495	1.2
111.00879	100.0
112.01208	2.0
113.02466	3.7
121.06583	4.6
123.00889	13.6
125.02441	22.0
132.71626	1.0
137.02487	1.5
143.03510	1.2
149.06064	3.8
153.01930	40.2
161.04665	2.5
165.01930	3.0
165.05580	1.4
191.05533	2.0
193.05049	10.4
210.14748	1.2
211.06122	82.8
212.06438	3.6
225.07785	1.9
235.06117	1.9
253.07153	19.7
265.13071	2.4
283.08340	2.0
293.32370	1.1
300.12860	1.2
373.11392	9.7
395.15573	2.3
397.11493	1.8
397.16977	12.7
433.14597	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	56.8
69.30256	31.3
71.01382	16.0
82.95419	17.7
92.82649	8.3
96.95982	8.0
98.21877	16.9
101.02417	14.5
101.56764	7.5
111.00884	58.6
113.02403	8.5
123.00932	14.0
125.02458	13.7
147.04482	8.6
165.29118	9.8
191.05588	12.2
192.95854	7.9
198.07521	8.0
208.25078	8.5
211.06133	60.7
228.31390	7.6
284.87323	8.3
395.15448	8.8
397.16953	27.8
433.09824	13.2
433.14844	100.0
434.15005	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28561	0.5
59.01374	4.9
68.99794	0.6
71.01371	2.5
72.99297	1.0
73.02963	0.9
85.02943	0.9
89.02428	1.3
95.01400	0.7
99.00880	1.4
101.02425	1.3
113.02441	1.0
113.06112	0.6
118.02982	1.1
122.06166	2.8
124.00416	0.7
149.04782	0.8
150.05620	3.0
152.07137	2.1
153.01860	1.0
155.03511	0.7
166.02661	0.9
172.07645	0.6
181.07779	0.7
186.28508	0.6
191.05582	0.9
192.06915	0.6
193.07707	0.7
195.09230	1.7
196.06393	1.6
197.07164	1.0
205.07724	0.8
206.08301	0.6
207.09261	1.5
209.07172	1.2
211.08803	5.2
220.06310	1.5
221.07187	1.2
223.08714	5.6
224.09431	0.8
225.10397	0.8
225.82149	0.6
227.08127	1.0
229.09927	0.8
234.07919	1.4
235.08778	8.1
236.05887	2.6
237.06668	1.5
237.10239	1.9
238.07368	0.8
239.08218	1.4
241.09842	1.1
249.06702	2.6
249.49338	0.7
250.07457	5.2
251.08240	12.7
252.08926	2.4
253.09767	1.9
254.10544	0.7
263.08157	2.6
264.05353	1.5
265.06400	0.9
265.09857	7.2
266.06879	1.0
267.07541	0.8
267.11365	0.8
268.03717	1.7
268.08368	0.8
269.04138	2.0
269.09384	0.9
270.04364	3.0
271.19272	0.8
278.06979	5.8
279.07742	13.6
280.08304	1.7
281.09320	12.2
282.09903	2.6
283.07523	0.6
283.10760	1.5
291.07776	0.7
296.07922	1.2
297.09079	0.8
297.12332	2.3
298.09500	1.0
307.07178	4.6
309.08804	43.9
310.09329	4.6
311.10312	1.9
313.11957	0.6
325.08224	1.0
325.11896	0.8
326.08963	3.5
327.09735	0.8
337.08289	12.0
338.08939	1.2
339.09821	9.5
340.09909	0.8
341.11423	9.5
342.11606	0.9
354.08487	1.2
358.11685	1.0
369.10886	27.8
370.11249	2.0
373.13916	2.4
383.12323	0.6
386.10925	0.6
401.13556	12.0
402.13800	1.2
433.10883	5.1
433.16071	100.0
433.24170	15.5
434.16498	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	433.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73349	1.0
59.01380	13.4
61.98820	2.0
67.62436	1.0
68.99825	1.5
69.03485	1.3
71.01390	7.0
72.99298	4.5
73.02949	2.0
75.00867	1.7
83.01369	1.4
85.02954	3.1
87.00897	1.4
89.02441	3.8
93.03477	1.7
97.02954	1.1
98.21765	1.5
99.00869	2.4
101.02445	3.9
108.00918	1.1
109.02930	1.6
112.98774	1.4
113.02422	3.0
113.06099	1.6
115.00340	2.1
119.03500	1.1
122.06145	3.3
125.02461	1.2
135.04515	1.3
142.99860	1.4
150.05565	2.0
151.00409	1.9
152.07211	3.6
153.01874	1.3
153.99060	1.5
160.26907	1.1
175.02563	3.0
191.05609	1.7
195.09349	1.3
196.06369	1.6
207.09195	2.1
209.11819	2.9
211.08797	5.1
220.06552	1.5
221.11658	1.4
223.08702	4.3
229.09885	1.7
235.08678	5.3
236.05722	1.5
237.06618	1.4
239.08211	1.7
249.06670	2.6
250.07469	3.5
251.08224	13.4
252.08983	1.7
253.09769	1.7
253.14499	2.1
263.08301	2.1
264.05426	2.6
265.06403	1.2
265.09940	8.4
268.03714	3.4
268.08438	1.7
269.04141	2.9
269.09470	1.3
270.04340	7.2
271.05545	1.9
278.06863	3.4
279.07712	11.9
280.08307	1.9
281.09277	10.6
282.09857	2.0
291.07822	2.5
297.12500	2.9
299.10538	1.4
307.07239	2.8
309.08810	42.7
310.09210	4.4
311.10516	2.0
313.12259	1.3
315.14450	7.2
325.08444	1.7
326.08978	3.6
337.08261	10.5
339.09906	7.9
341.11389	10.4
369.10919	24.5
370.11194	1.5
401.13477	10.1
433.10486	9.8
433.16083	100.0
433.24329	28.2
434.16422	9.9
441.53476	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
57.03452	0.7
59.01382	100.0
60.01705	0.8
61.98843	1.4
68.20705	0.4
69.11056	1.1
69.11456	1.6
71.01383	7.4
73.02946	2.2
83.01421	0.7
85.02949	3.3
87.00887	0.8
89.02451	4.9
95.01404	0.5
97.17281	0.4
98.03066	0.4
98.21893	1.3
99.00906	0.8
101.02440	6.4
113.02433	2.9
114.16708	0.4
119.03532	1.2
122.71961	0.5
125.02524	0.5
131.03537	1.4
149.04593	1.9
151.00325	0.5
159.02975	0.6
161.02477	0.8
161.04570	4.2
183.85078	0.4
185.10204	0.6
191.05595	1.0
209.15485	3.5
214.56853	0.5
253.14439	6.6
268.03870	1.4
269.04355	1.3
270.04547	2.0
271.05344	0.6
274.08698	0.4
373.22348	16.0
374.22824	1.0
433.10373	3.0
433.20648	1.6
433.24823	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	433.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63160	1.1
55.01868	4.7
57.03447	4.3
59.01379	96.0
67.71289	1.0
69.03466	1.2
71.01381	83.6
71.05021	2.7
72.01685	1.1
72.99308	2.3
73.02943	13.9
75.00867	1.3
81.03452	1.8
83.01382	7.2
85.02946	25.0
87.00890	5.8
87.04517	4.0
89.02444	51.0
93.14420	0.9
95.01365	5.6
97.02924	1.7
99.00880	6.5
99.04533	2.1
101.02441	51.5
111.08099	1.0
113.02448	35.4
114.02819	1.2
118.98705	1.1
119.03494	23.8
125.02464	1.5
131.03510	2.5
143.03528	5.9
149.04527	1.3
159.03009	4.2
161.02487	1.7
161.04562	24.7
162.04872	1.2
179.03645	0.8
179.04160	1.3
179.05586	8.8
183.10287	1.6
191.05640	2.1
209.15527	1.2
217.15842	1.2
253.18289	1.4
268.34888	1.2
271.19101	17.8
307.39792	1.0
415.23062	1.3
433.24454	100.0
434.24796	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	433.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01704	0.7
64.03669	0.5
69.30020	1.5
71.01380	6.6
72.99299	0.6
73.02956	1.5
83.01395	1.3
85.02954	2.1
87.00890	1.1
89.02450	6.7
93.79199	0.4
94.29099	0.4
95.01415	0.6
96.70599	0.4
101.02451	4.9
113.02456	3.7
118.48146	0.4
119.03499	3.5
127.55025	0.4
131.03537	0.8
143.03514	0.8
151.20062	0.4
161.02501	0.7
161.04558	3.2
179.05690	1.8
188.09785	0.4
221.06717	1.3
271.19296	0.7
293.17633	0.5
340.38922	0.5
395.19476	0.5
433.25351	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.9226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	33.6
59.12219	0.9
62.00472	1.1
65.11535	1.0
85.00448	1.3
87.92536	2.2
97.26556	1.0
103.01500	15.9
103.92047	1.3
127.93140	10.6
128.95200	11.5
129.92296	2.7
139.93147	5.2
142.95525	1.5
154.95491	28.1
171.97031	3.3
172.94157	2.7
177.37485	1.1
186.86595	1.5
186.94438	4.9
190.95212	9.1
193.88472	4.3
193.91269	1.6
198.94466	100.0
199.94673	2.6
215.95975	7.7
229.96295	10.1
244.93768	27.9
245.94127	1.0
259.96094	25.4
260.96115	2.3
276.80637	2.9
291.82870	2.1
293.80896	6.1
318.81271	1.9
333.84012	1.6
335.81924	2.9
346.90262	2.7
351.87628	2.1
353.60016	1.2
377.82904	5.8
395.84164	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	434.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74060	0.3
59.01376	2.9
60.01725	0.3
61.98830	100.0
62.98544	0.4
64.62261	0.3
69.75005	0.6
69.75381	1.0
71.01385	1.5
73.42535	0.3
85.02966	0.5
89.02467	0.7
101.02474	1.0
101.64611	0.3
105.28846	0.3
113.02480	0.5
119.03556	0.4
119.05031	0.5
130.99681	0.4
133.02959	0.5
135.04576	0.6
151.00439	0.4
152.00725	0.4
153.99814	0.3
161.02451	1.8
173.04691	0.3
179.03542	0.4
191.05560	0.8
215.59561	0.3
268.03726	0.5
269.04196	1.3
270.04465	1.3
271.04709	1.3
272.06451	1.5
323.07874	0.6
434.10779	3.6
434.25034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46637	1.1
53.50389	1.3
56.33937	1.2
61.98832	100.0
68.09873	1.0
69.99721	2.4
70.00063	1.3
135.01045	1.1
146.73598	1.2
152.99626	2.5
178.85815	1.2
180.45236	1.4
239.80763	1.4
243.38272	1.1
253.74510	1.3
267.23367	1.6
273.13025	1.2
300.06467	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0933
Annotation	CHEBI:75740
Peak:m/z	Relative Intensity
50.33784	0.4
52.24248	0.5
59.01374	1.1
61.98818	1.0
65.03949	0.6
67.83390	0.4
69.37838	2.2
71.01370	1.0
81.03468	0.7
85.02960	0.4
89.02477	0.5
93.03458	54.2
94.03796	1.7
101.02488	0.7
108.02171	10.4
109.02953	71.3
110.03306	1.8
123.00894	1.1
123.04549	0.9
133.02960	1.1
135.04526	1.3
137.02446	100.0
138.02806	3.1
151.04089	0.8
152.01157	13.8
153.01938	95.9
154.02261	3.0
161.02422	1.9
173.04572	0.6
179.03529	0.8
191.05602	0.7
236.45660	0.5
289.06393	0.5
297.06165	9.5
315.07233	23.0
316.07431	1.2
425.94800	0.5
435.09305	90.0
436.09650	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	435.0934
Annotation	Irisxanthone
Peak:m/z	Relative Intensity
52.15261	0.5
59.01373	2.2
61.98826	0.8
69.03445	0.7
69.10735	3.1
71.01382	1.9
73.02918	1.2
81.03449	1.0
83.01406	0.6
85.02926	1.3
93.03458	62.0
94.03780	1.0
98.22603	1.5
101.02468	0.7
108.02174	59.2
109.02970	27.9
109.57256	0.5
110.03264	0.7
113.02428	0.9
121.02957	1.2
123.04524	0.7
133.02971	1.1
134.03716	0.6
135.04549	1.9
137.02448	91.5
138.02795	2.6
151.00282	0.6
151.04042	1.1
152.01160	77.0
153.01949	30.5
154.02284	0.6
161.02480	2.6
163.04015	1.7
165.01958	1.1
173.04575	0.8
177.05582	0.6
179.03490	1.1
181.46748	0.5
191.05637	0.9
195.02911	0.7
220.06216	0.6
225.04112	0.6
297.06165	18.6
298.06631	1.1
315.07214	17.2
316.07370	1.2
358.02414	0.6
421.79501	0.6
435.09299	100.0
436.09601	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	435.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48836	0.3
52.65738	0.3
54.72959	0.3
57.80216	0.3
59.01377	3.3
60.83080	0.3
61.32182	0.3
61.98838	0.7
65.03950	0.4
69.03466	0.4
69.13024	0.3
71.01385	2.7
73.02950	1.1
76.41131	0.3
81.03451	1.3
83.01376	0.4
85.02948	1.2
89.02438	0.7
93.03458	61.1
94.03807	1.4
95.01358	0.5
101.02449	1.3
107.01410	0.5
107.05009	0.5
108.02175	57.6
109.02966	27.5
110.03298	0.8
113.02442	1.2
117.03423	0.4
119.05006	0.4
121.02976	1.1
123.04486	0.7
125.02435	0.6
133.02968	1.7
135.00891	0.6
135.04509	2.2
137.02444	88.8
138.02779	3.1
143.91656	0.3
145.02998	0.5
147.04564	0.5
151.00398	0.5
151.03987	1.3
152.01154	78.8
153.01944	32.0
153.03268	0.6
154.02328	0.8
160.54056	0.3
161.02457	2.7
163.04050	1.5
165.01953	1.0
173.04570	1.2
175.03946	0.4
177.01938	0.3
179.03513	1.6
181.05058	0.4
191.05615	1.2
192.99632	0.5
195.03021	0.9
207.02988	0.4
225.03989	0.3
245.82184	0.3
287.14697	0.4
297.06146	16.9
298.06506	0.9
315.07217	18.3
316.07544	0.8
319.03082	0.6
359.12656	0.5
397.10840	0.4
435.09302	100.0
436.09656	10.1
436.15594	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30031	3.5
59.01114	4.2
59.01378	57.0
61.98827	84.9
69.03452	5.7
71.01377	31.1
71.47067	3.1
72.99308	17.4
73.02946	9.5
75.00875	8.1
81.83478	4.1
82.95409	13.6
85.02935	14.4
87.00871	7.3
89.02446	29.3
93.03461	7.1
96.95997	7.0
97.02949	5.7
99.00863	5.5
101.02447	31.0
109.02930	7.6
110.45940	3.9
111.04568	3.2
113.02412	10.1
116.92795	3.7
119.03484	5.5
121.60260	4.0
133.02980	5.3
134.03703	4.9
135.04523	36.7
136.04869	5.1
137.02464	7.4
143.03513	4.9
149.04530	9.6
151.04018	3.6
155.03432	6.1
159.32185	4.0
161.02449	25.5
161.04570	8.4
173.04561	8.7
179.03500	32.0
180.03792	4.1
189.01706	6.1
191.05617	43.7
192.05927	6.2
195.41618	3.6
201.01692	16.3
212.18570	4.2
219.01321	4.4
265.12933	6.2
273.04553	8.5
353.08704	4.2
375.06879	100.0
376.07138	7.1
392.12753	3.9
393.06635	6.2
397.17163	60.5
398.17773	4.5
399.17822	6.0
403.08484	8.3
435.08859	7.0
435.14511	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99625	10.4
55.60722	10.0
59.01375	47.4
59.54490	11.3
61.98831	100.0
63.30001	11.6
67.74402	8.9
69.03438	12.5
69.72389	9.0
70.66913	9.5
71.01382	22.9
71.47241	9.1
71.50371	11.2
82.95408	21.5
89.02454	29.2
90.93880	9.9
99.41566	9.6
117.14849	8.9
139.89824	9.1
151.37848	11.1
179.05553	15.6
191.05609	15.5
193.40112	10.0
203.88306	10.9
226.14771	9.6
375.06924	12.7
375.12787	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21185	0.5
59.01378	51.7
70.78865	0.7
86.50671	0.5
89.02432	0.6
93.03468	0.9
97.93315	0.5
100.73705	0.5
119.03478	0.7
121.02931	0.8
122.03720	3.0
141.00436	0.6
149.02388	0.5
150.03221	33.7
151.03564	0.7
165.05565	100.0
166.05904	3.5
170.92322	0.5
191.05594	1.3
200.01067	0.7
213.07671	14.7
214.08105	0.6
325.84668	0.5
375.07971	1.2
399.15167	1.6
408.24139	0.6
435.07803	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26087	1.9
59.01379	100.0
59.90396	2.2
68.02157	2.1
69.63052	5.0
70.64587	1.7
71.01381	22.6
73.02948	2.1
85.02935	10.6
87.00900	5.6
89.02444	28.3
93.03463	4.0
98.99321	2.3
101.02453	12.6
113.02449	9.3
117.03487	3.2
119.03509	14.5
134.03706	2.7
135.04500	4.8
137.02431	2.4
141.00444	7.0
143.03442	3.6
145.02959	18.1
146.03685	4.1
147.04498	5.0
149.04654	2.6
150.03227	4.2
151.02515	2.4
161.02461	12.8
161.04553	6.6
162.03244	21.8
165.01888	3.4
165.05606	5.6
167.02011	3.8
168.99918	7.8
169.03551	5.4
170.00186	2.1
171.03018	2.8
173.00954	5.3
173.04605	7.6
175.02539	13.9
177.05528	11.0
179.05612	13.6
180.04269	9.2
190.01077	2.2
191.05611	45.1
195.01483	20.5
195.06746	11.8
199.02478	2.2
201.00410	13.1
211.01059	3.2
213.07718	10.3
217.03528	10.4
219.01485	38.8
220.01727	3.5
225.02516	3.2
243.01373	10.0
244.01537	2.0
245.02946	2.1
255.03690	4.2
259.04623	5.2
261.02350	2.4
273.04669	73.0
274.04810	5.6
289.02167	9.5
309.90613	2.0
315.03442	2.0
331.03305	2.3
357.11920	11.7
375.05786	65.8
375.11307	3.5
375.12610	3.3
376.06076	5.9
393.06760	26.2
401.54874	2.3
435.07831	42.7
435.13721	2.5
436.07996	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	435.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30974	0.7
54.13510	0.8
59.01367	2.1
61.98819	1.3
63.01807	0.7
63.94796	0.7
69.03434	0.9
77.10251	0.7
81.03457	1.0
83.05036	2.1
93.03462	1.8
95.05023	0.9
97.06607	0.9
100.54234	0.8
108.02172	3.0
109.02961	8.3
121.03024	1.5
122.03757	4.2
123.04578	0.9
127.87035	3.9
136.01685	0.9
137.02403	1.3
146.03696	1.6
159.04509	2.0
160.01656	1.6
161.02374	0.8
161.13370	2.4
162.83955	1.6
172.05275	2.9
173.06061	1.1
174.03227	2.1
175.04030	1.5
177.12808	2.0
179.14363	0.9
185.06035	1.5
186.06897	1.0
187.03986	5.2
187.07632	4.3
187.11247	1.3
189.12823	1.6
191.05621	2.1
192.04269	1.0
197.06026	1.8
198.06917	1.3
200.04761	2.8
201.05531	2.2
202.02756	1.8
205.12337	18.2
206.12654	1.4
207.13890	6.8
211.07680	1.4
211.13408	1.3
213.05600	1.0
215.07124	4.6
217.04932	1.3
221.11772	0.8
223.13402	8.8
231.03014	1.8
233.11790	1.0
237.14980	0.9
239.16487	1.5
249.11333	4.5
251.12798	3.6
281.13913	5.2
283.15546	2.3
290.18259	0.8
297.14978	2.3
309.14972	3.7
325.14453	2.4
326.14954	0.8
327.15994	2.1
343.15479	1.9
344.16144	5.4
353.13840	3.9
357.16986	0.9
359.18723	1.3
371.15039	5.6
385.16589	8.0
399.12384	1.6
403.17596	100.0
404.17999	11.0
412.19418	0.8
413.30499	0.8
435.05948	0.9
435.20178	13.2
436.20822	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	435.2515
Annotation	LPA(18:1)
Peak:m/z	Relative Intensity
69.98102	0.6
69.98418	0.3
71.02635	0.3
78.95899	49.3
96.96008	0.7
96.96959	5.8
110.98518	0.9
125.00109	0.4
150.98024	1.2
152.99580	100.0
153.99934	1.2
158.84666	0.9
167.01117	0.6
171.00642	3.8
185.02161	0.9
199.03755	1.0
267.23276	30.9
268.23578	2.1
281.24838	0.9
357.07370	0.4
435.25082	10.5
436.25302	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01719	1.1
61.98834	0.9
71.01377	2.0
73.02946	1.1
81.32304	0.3
83.01378	0.5
84.80107	0.3
85.02956	1.5
89.02403	0.8
92.10198	0.3
95.79108	0.3
101.02443	2.3
113.02459	1.2
133.02934	0.8
135.04572	0.8
161.02487	1.4
161.04582	1.6
173.04602	1.0
191.05624	1.9
207.00642	0.3
287.70108	0.4
375.23904	3.6
435.21906	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
61.98828	100.0
69.28752	1.3
71.01376	0.4
77.72569	0.3
89.02451	0.4
97.02970	0.3
119.48145	0.3
127.66917	0.3
373.11612	0.4
428.20935	0.3
436.31363	0.3
449.61035	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.0
61.98826	100.0
69.31652	1.3
71.01389	1.0
75.00879	0.3
85.71385	0.3
89.02444	0.7
96.96038	0.4
99.00870	0.4
101.02469	0.9
111.00843	0.3
133.02913	0.3
179.05544	0.4
191.05696	0.4
299.08798	0.3
398.17673	0.6
436.14951	0.3
437.16388	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	83.4
61.68560	2.7
69.30625	15.6
71.01381	59.4
73.02946	9.5
78.04202	3.2
85.02942	12.7
89.02441	100.0
93.03442	3.5
99.00866	4.1
101.02445	36.2
108.02164	13.4
109.03004	6.5
110.03280	3.6
113.02451	18.4
119.03471	21.0
131.03523	15.2
137.02470	8.2
143.03505	4.1
149.04552	45.1
152.01164	13.0
153.01784	4.7
154.02238	4.6
159.15463	2.8
161.04556	7.1
179.05644	23.2
191.05583	10.1
261.13412	11.1
393.17633	72.9
394.18127	6.3
409.73901	3.7
436.09543	29.5
436.22546	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	437.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30067	0.9
58.00597	0.9
59.01379	100.0
61.98830	23.6
69.03485	0.8
69.23280	4.3
71.01379	38.6
71.01778	1.8
75.81184	1.0
78.47128	1.0
82.95425	6.9
83.01392	1.5
85.02942	4.7
86.22507	0.9
87.00890	2.3
89.02445	60.7
90.02779	1.0
94.98065	0.9
95.01382	2.3
96.96011	1.9
101.02445	20.4
111.00854	1.0
113.02455	15.8
119.03506	23.7
119.96715	0.9
123.08123	0.8
131.03534	2.2
143.03516	4.8
149.04501	2.3
161.04536	6.8
176.02567	0.8
179.05630	34.0
191.05611	3.2
196.31267	0.8
199.33961	0.9
213.00793	0.9
215.02403	0.9
233.03586	1.1
317.05612	1.6
377.07474	3.4
377.14120	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61762	22.0
56.04198	15.8
59.01373	100.0
69.16317	66.1
69.16734	33.7
71.16671	19.9
80.16260	16.1
84.56100	16.7
86.11436	16.6
88.98792	49.4
103.01498	75.9
105.01943	35.1
109.14703	16.4
110.00552	16.6
117.90868	18.9
127.87048	40.4
128.87788	39.6
209.11780	20.9
209.28987	16.1
301.03006	30.1
325.98987	20.3
331.02435	17.0
399.10165	19.3
437.07434	89.8
438.06891	44.0
438.13193	19.7
455.77707	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	437.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	4.8
59.01368	17.1
61.98829	7.6
65.03962	7.8
69.03448	12.5
81.03445	7.0
81.79833	3.1
83.05032	15.7
91.05556	6.0
93.03455	3.3
95.05024	10.0
97.02963	5.2
97.06579	10.3
105.07087	6.4
107.08688	6.1
109.06561	9.0
116.92861	3.9
117.07102	5.9
121.06574	4.0
123.08191	6.3
125.09719	40.3
127.11292	4.5
127.87056	5.2
128.87823	3.3
149.09712	8.2
156.38440	3.2
163.07690	3.5
163.11285	15.2
169.43680	3.1
171.10275	100.0
172.10637	4.9
176.12120	3.7
179.45639	2.9
185.11838	7.6
185.13374	4.1
187.14929	21.3
189.12846	8.1
203.14375	26.3
207.10161	16.3
209.11778	17.0
211.13318	17.4
213.12871	5.1
219.13901	4.4
221.15288	3.3
225.11325	17.1
229.12360	5.2
229.14459	16.2
231.13872	55.9
232.14354	3.5
233.11858	5.2
237.14912	11.2
247.13377	17.2
249.14964	15.7
308.38528	3.3
329.24673	7.1
339.23267	5.6
347.25153	4.2
355.22223	7.0
357.24326	8.6
365.21313	4.9
365.26584	3.5
367.99896	3.2
373.23743	14.7
383.22290	18.0
391.24866	15.6
401.23337	63.8
402.23843	11.8
409.25778	11.3
419.24603	22.2
437.07391	5.9
437.25424	19.5
438.06244	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	437.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12113	0.8
53.37926	0.7
54.71891	1.0
59.01375	3.9
59.97127	0.7
61.98827	2.1
63.14583	0.8
69.54354	3.1
83.05009	1.5
83.35205	0.8
84.02173	0.9
87.77777	0.7
88.98762	1.1
93.03497	0.9
93.52879	0.8
97.06592	1.1
101.02437	1.9
109.06586	13.1
110.03730	0.9
113.25532	0.8
123.04529	1.3
125.09727	3.2
135.08138	1.4
137.23633	0.8
155.03523	1.8
161.09756	0.8
163.11259	7.7
181.12367	3.2
183.13882	6.8
185.11703	1.2
187.14781	1.0
193.12392	2.2
205.12352	2.1
207.10243	22.6
211.13394	100.0
212.13725	3.6
223.13318	4.5
225.11327	31.2
226.11711	1.6
231.13904	2.2
247.13475	0.9
249.14915	1.3
339.23117	1.1
383.22287	1.6
391.25098	1.2
393.22873	8.2
394.22839	1.0
401.23343	7.5
419.24347	27.9
420.24689	4.4
437.25491	3.2
453.37387	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.306
Annotation	Salacenonal
Peak:m/z	Relative Intensity
50.68671	0.8
57.77713	0.9
61.98829	1.1
67.05930	1.0
69.51208	3.7
98.22725	1.8
101.13993	1.0
125.06078	1.4
143.07167	3.3
221.05563	1.1
241.77362	1.1
265.18976	1.2
311.22318	3.8
326.04117	1.0
437.30588	100.0
438.30914	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	437.3059
Annotation	Salacenonal
Peak:m/z	Relative Intensity
61.98836	1.3
62.95351	0.9
65.07912	0.8
76.97348	0.9
86.70827	0.8
125.87305	1.0
152.99561	1.2
160.84218	39.6
391.30063	2.0
437.30585	100.0
438.05804	18.0
438.30923	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	438.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.4
61.98830	100.0
65.18682	0.3
69.69967	0.4
69.70311	1.1
71.01382	1.6
78.95893	1.7
85.02969	0.4
87.00909	0.4
89.02455	1.5
91.97525	0.3
96.95376	0.6
96.96013	10.8
96.96943	3.4
101.02413	0.6
110.10387	0.3
118.96648	1.9
132.98232	0.9
156.98241	1.2
160.97717	1.3
191.05663	0.7
210.99341	0.6
217.00322	2.0
229.00261	0.5
259.01395	0.8
439.08176	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18229	0.3
59.01380	1.2
61.98829	100.0
66.93102	0.3
71.01389	0.6
83.45763	0.3
84.33284	0.3
84.95155	0.4
85.02968	0.3
87.21004	0.3
89.02461	1.0
95.88776	0.3
96.96015	2.6
101.02451	0.5
107.84223	0.3
119.03493	0.5
121.38072	0.4
151.07668	0.8
191.05481	0.6
195.06674	0.7
195.71953	0.4
333.49091	0.4
379.37662	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84529	0.3
55.93534	0.4
59.01377	4.6
70.14063	0.5
70.14381	0.5
71.01383	3.8
75.98746	0.4
77.03642	0.4
78.95906	28.6
79.95746	1.7
89.02438	3.5
96.96018	100.0
96.96964	63.2
101.02437	1.5
107.46599	0.4
113.02455	0.8
118.96633	1.1
119.03503	1.4
132.98192	0.6
140.50568	0.4
156.98204	1.0
160.97725	0.9
161.04535	0.5
179.05585	1.6
179.85646	0.4
217.00305	1.6
259.01370	0.6
341.10822	6.0
342.10971	0.4
439.08298	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81320	0.4
55.36996	0.3
59.01079	0.4
59.01375	6.2
69.27396	0.9
69.27804	0.9
71.01379	4.0
77.41562	0.4
78.95901	43.2
79.95731	1.5
85.02942	0.6
87.00929	0.4
89.02442	3.6
96.96009	64.2
96.96957	100.0
97.98824	0.3
101.02423	2.2
105.53106	0.3
113.02454	1.7
118.96609	0.5
119.03482	1.1
132.98187	0.4
143.03548	0.5
144.29500	0.3
161.04553	0.4
179.05573	1.7
341.10840	7.2
383.70862	0.3
439.08551	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	11.6
63.63668	0.4
67.39062	0.3
69.77407	0.6
69.77709	0.6
71.01382	8.0
73.02940	0.4
78.95903	44.6
79.95735	1.0
83.01414	0.4
85.02953	1.1
86.80340	0.4
87.00862	0.5
89.02444	8.0
96.96008	61.0
96.96957	100.0
97.64793	0.4
99.00880	0.7
101.02433	3.7
113.02467	2.5
115.00357	0.4
116.66950	0.4
116.98670	0.5
118.96645	2.6
119.03520	2.6
121.42456	0.4
131.03464	0.4
132.98180	1.3
156.98170	3.0
160.97661	1.6
161.04579	0.8
168.98079	0.4
175.44235	0.4
176.89014	0.4
179.05582	4.1
180.05821	0.4
186.99133	0.5
210.99242	1.1
217.00293	4.1
229.00343	1.1
241.00334	0.7
259.01318	2.3
341.10855	14.8
342.11237	0.8
437.78748	0.4
439.08521	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	439.1245
Annotation	Ginkgolide C
Peak:m/z	Relative Intensity
54.75532	0.3
55.01884	0.3
59.01380	8.5
68.99816	0.4
69.03452	0.4
69.19550	2.0
71.01376	3.8
71.73951	0.3
73.02938	1.4
73.99602	0.3
85.02944	2.1
89.02423	1.6
99.00862	0.4
101.02446	2.5
105.03461	0.4
113.02453	1.4
114.31400	0.3
115.04010	9.7
117.03477	1.4
119.03531	0.4
121.02935	0.5
132.02171	1.7
133.02963	32.9
134.03667	1.2
135.04529	8.7
137.02461	0.3
142.88214	0.3
144.98761	0.9
153.55031	0.4
161.02448	100.0
162.02811	2.6
165.05556	0.6
178.08736	0.3
179.03502	4.3
191.05606	0.7
221.04384	0.3
221.66577	0.4
240.78606	0.3
276.55655	0.3
281.06717	0.3
307.17651	2.3
377.18127	0.3
393.17606	0.5
439.12433	59.6
439.21057	3.8
440.12720	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	439.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03474	0.7
69.55278	0.4
69.78728	0.8
78.95899	6.5
82.26240	0.3
83.04994	0.5
96.96971	0.6
122.73093	0.4
135.04506	0.4
142.81956	0.4
152.99594	9.5
161.02414	0.5
167.14401	0.9
171.00650	1.3
183.13898	8.8
185.34155	0.4
187.55106	0.4
193.12344	1.6
209.99673	0.4
211.13399	100.0
212.13756	4.2
227.03229	1.2
245.04282	2.0
311.75674	0.5
439.17355	31.2
440.17795	1.8
446.90182	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	21.3
59.33964	3.6
61.98829	24.9
68.39749	4.2
69.48260	13.6
70.98092	3.5
71.01375	11.5
73.02945	4.4
78.95909	5.9
85.02940	6.0
89.02451	11.5
96.96013	100.0
96.96963	9.3
101.02450	9.3
112.90786	4.1
113.02463	6.6
118.96650	4.7
125.02480	6.9
137.02437	7.6
149.02435	12.0
150.03244	25.3
161.04553	4.8
165.01941	24.9
165.05551	48.7
179.03514	10.9
180.04262	16.7
191.05594	5.0
195.06596	45.5
196.07033	4.6
217.00224	6.3
225.07617	6.5
259.01474	4.6
277.00320	7.4
357.23599	3.9
391.13824	12.7
397.17010	6.4
439.17505	85.8
440.18063	7.9
461.84207	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	439.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.0
57.03448	0.9
59.01382	21.8
61.98826	3.3
65.45853	0.9
69.03460	1.0
69.56328	1.7
69.56715	1.7
71.01382	34.7
73.02942	17.4
75.00860	1.3
83.01377	3.8
85.02950	15.3
88.32798	0.9
89.02447	13.2
95.01377	2.1
96.96012	9.5
97.02958	2.5
99.00880	6.5
101.01780	1.8
101.02444	27.1
109.02985	1.3
113.02448	15.1
119.03523	2.1
121.02983	0.9
122.03760	2.2
125.02448	2.8
128.52254	0.8
131.03496	2.0
143.03513	2.2
149.02414	3.5
149.04506	2.0
150.03247	11.6
159.02971	3.3
161.04572	17.6
162.93643	1.1
164.04755	1.7
165.01968	5.0
165.05568	10.7
180.04294	5.0
191.05586	2.6
195.06624	18.4
230.07814	1.3
233.06671	1.3
243.08789	1.3
247.11893	19.5
257.30106	1.0
258.07623	1.2
259.08078	2.9
276.08774	2.5
277.08994	4.6
331.11597	1.7
358.42474	1.0
379.16083	100.0
380.16327	8.0
391.13959	3.2
415.12170	0.9
424.43555	1.0
459.14923	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.2
57.03450	3.2
58.00573	0.6
59.01379	34.1
67.01894	0.4
67.50737	0.4
69.03445	1.4
69.08896	2.5
71.01379	43.8
72.01718	0.5
72.99303	1.2
73.02944	23.3
75.00860	1.5
81.03449	0.9
83.01388	9.6
83.05045	0.4
85.02946	23.3
86.00100	1.1
86.03286	0.5
87.00868	4.3
89.01921	0.8
89.02447	11.1
92.32262	0.4
93.03448	1.0
95.01395	2.7
96.96000	0.8
97.02953	2.3
99.00878	8.9
99.04507	0.8
101.02442	46.1
102.02792	1.0
111.00877	3.4
111.04519	0.7
112.27402	0.4
113.02444	16.1
114.02811	0.4
115.03998	1.6
119.03500	1.1
125.02444	3.2
127.04047	0.6
128.87703	0.4
129.01967	1.4
131.03502	3.4
137.02412	0.5
141.01944	0.6
143.03517	2.0
143.10831	0.4
145.12328	1.1
149.04597	2.1
159.03011	4.4
161.02499	0.6
161.04559	15.2
173.04491	0.7
174.03294	0.9
175.03993	2.5
183.10301	0.8
185.11859	1.4
189.01941	0.9
191.05614	27.6
192.05879	0.7
196.81087	0.4
219.13577	0.4
233.04607	0.5
233.06691	1.7
242.60381	0.4
293.08762	0.9
297.88037	0.4
307.17612	61.2
308.17987	3.9
357.15451	0.5
419.83228	0.4
439.21817	100.0
440.22162	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	439.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98307	8.6
59.01379	100.0
61.98822	21.0
71.01367	13.0
71.44844	8.5
77.36445	8.8
85.03996	9.5
89.02428	13.6
94.55029	9.1
96.95998	18.0
101.02417	12.5
113.02452	10.1
133.02962	15.6
135.04564	18.8
151.00310	12.7
178.02724	22.3
191.05569	10.4
225.31207	10.2
229.21608	15.4
253.52238	10.1
280.76978	9.6
306.07535	24.3
357.22876	12.7
439.13620	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3216
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
56.96954	0.4
58.94442	0.3
62.80264	0.2
69.34380	0.7
69.34765	0.8
114.57408	0.3
136.30467	0.3
188.31569	0.3
213.19623	0.3
268.53607	0.3
344.93460	0.3
391.29990	0.5
439.32153	100.0
440.32480	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	440.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88227	0.2
61.26866	0.2
61.82132	0.2
71.00401	0.3
78.91880	0.3
96.96021	0.7
97.78262	0.2
124.12985	0.2
125.75985	0.2
125.87326	0.5
126.88129	0.7
127.87057	1.3
128.87828	1.5
140.44154	0.2
154.89450	0.3
160.84203	2.2
161.84245	0.4
162.83920	100.0
163.83936	0.9
198.88419	0.3
228.33629	0.2
237.17441	0.2
254.94620	0.3
261.05182	0.2
275.52966	0.2
277.21753	0.3
291.52225	0.2
403.08957	0.6
405.08801	1.5
440.05603	42.9
441.05914	3.7
441.25513	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87717	2.9
59.01374	44.8
61.98833	56.7
67.34724	3.0
70.67568	3.0
71.01381	37.4
73.02953	16.9
78.95880	3.3
83.01372	10.2
85.02954	13.9
89.02442	18.6
96.96012	37.3
96.96973	8.3
98.95580	4.4
99.00876	5.0
101.02441	39.0
103.04028	4.9
113.02447	15.2
119.03544	4.9
125.02456	5.0
156.98233	3.0
160.97585	3.6
161.02383	4.9
161.04526	12.6
163.06131	10.8
179.05602	3.3
182.02235	3.9
217.00154	3.9
217.32986	2.8
251.11307	27.8
274.24316	3.0
282.81030	2.8
310.43179	3.3
377.14172	4.2
397.17133	100.0
398.17340	6.6
400.81680	3.0
403.99100	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	441.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38024	0.5
55.01864	0.7
57.03435	0.6
59.01379	15.9
69.14096	1.1
69.14506	2.4
71.01378	9.9
73.02939	3.1
74.77773	0.6
83.01377	1.9
85.02955	5.6
87.00859	0.7
89.02420	3.9
97.99273	0.6
98.21848	0.8
99.00845	1.1
101.02446	9.2
105.03429	0.8
109.03036	0.6
113.02452	5.0
117.03465	2.0
119.03515	1.2
119.05033	1.7
132.02177	1.4
133.02953	33.8
133.06607	0.7
134.03757	1.2
135.04536	14.1
137.02310	0.6
143.03503	0.6
145.02988	5.0
149.06075	1.2
161.02444	100.0
161.04604	3.1
161.06079	2.0
162.02744	3.6
163.02863	0.7
163.03979	3.1
172.64238	0.6
177.05592	4.3
179.03499	14.4
191.05696	1.2
203.03586	0.6
204.04437	0.6
205.05038	2.1
221.04504	6.1
235.06085	2.3
236.77254	0.6
249.13431	15.6
250.13925	0.6
251.05595	7.5
265.07257	3.2
276.56042	0.6
281.06622	15.4
281.09433	1.0
282.07043	1.0
323.07703	1.2
341.08743	9.1
342.08914	0.9
367.10672	0.7
379.64828	0.6
381.17648	13.8
382.18091	0.8
441.14020	52.1
442.14420	4.4
446.31387	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.8
56.89552	0.7
59.01381	16.5
59.01683	0.5
68.99813	0.7
69.03472	1.2
70.92393	0.7
71.01385	7.4
73.02957	2.2
76.65878	0.7
83.01424	0.8
85.02959	7.4
89.02445	7.4
93.03459	1.5
95.05009	0.9
96.85303	0.7
97.02975	0.8
101.02431	7.3
105.03416	0.7
107.05077	0.8
108.02196	0.9
109.02942	1.3
111.00911	0.8
113.02475	3.2
113.33855	0.7
117.03465	3.0
119.03513	2.1
119.05028	3.8
121.02964	3.7
123.04510	1.4
132.02185	1.4
133.02962	37.6
133.06625	0.9
134.03757	20.3
135.04536	18.5
137.02449	5.7
139.04025	1.6
145.02956	9.0
149.02396	0.7
153.05656	0.7
159.02960	0.8
161.02449	100.0
161.06042	1.8
162.02831	3.3
163.04002	5.4
173.04575	0.8
175.07585	1.1
177.05586	0.8
178.02716	2.5
179.03502	12.0
179.05557	2.4
179.07033	1.0
191.05670	1.5
205.05038	1.9
206.05360	0.8
217.08672	3.9
223.06151	1.7
235.06122	1.9
235.09842	0.8
249.13448	5.3
252.14279	0.7
261.01443	0.8
261.07703	2.4
265.07153	5.3
279.08698	0.8
295.10434	2.1
325.09332	1.1
371.09821	1.6
381.17831	3.8
395.19034	1.2
397.15094	1.8
403.12384	1.2
423.12973	2.4
441.14008	80.8
442.14291	7.2
447.88696	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1763
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
55.01870	1.1
57.03440	1.1
58.00599	0.4
59.01376	15.7
62.76808	0.2
69.03440	0.5
69.28970	0.4
69.29379	0.7
71.01379	23.8
71.05010	0.2
72.01688	0.3
72.99300	0.7
73.02941	10.2
75.00880	0.4
81.03450	0.3
82.95403	1.1
83.01379	2.3
84.02158	0.2
85.02947	11.8
86.00095	0.7
87.00869	3.4
87.04507	1.4
89.02441	3.9
93.03465	0.2
93.72232	0.2
95.01377	1.8
95.05011	0.2
97.02956	1.0
99.00877	2.4
101.02438	14.4
102.02766	0.3
103.04012	1.8
106.04222	0.4
112.65079	0.2
113.02443	12.6
114.02800	0.3
115.04006	3.0
117.03456	0.2
117.05589	0.4
119.03521	0.9
123.04494	0.6
125.02442	0.9
127.04042	0.3
129.01909	0.5
131.03499	2.7
131.05032	1.0
132.05815	2.5
133.06590	100.0
134.06937	3.2
135.04507	0.8
143.03500	5.6
145.05078	0.7
159.02989	2.7
161.02596	2.5
161.04547	27.1
162.04852	0.8
163.06107	1.0
166.58530	0.2
173.04555	0.2
179.03513	0.7
191.05571	1.0
194.87613	0.2
203.68298	0.2
205.07156	4.4
217.08685	0.7
258.61346	0.2
270.10773	0.2
295.11865	4.1
296.12097	0.3
307.10321	0.7
323.07715	1.1
341.08838	0.3
441.17673	15.7
442.18033	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	441.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.2
59.01377	47.0
64.74376	0.8
69.03462	1.9
70.01316	2.7
71.01381	28.6
73.02954	4.6
81.03472	1.1
83.01400	2.0
83.05028	1.6
85.02951	5.8
87.00894	1.1
89.02445	31.5
92.17645	0.8
93.03469	1.6
95.01425	2.4
95.05045	1.5
97.02968	1.9
97.06576	1.1
99.00889	3.0
99.04543	1.2
101.02451	14.7
103.35087	0.9
108.02212	1.7
109.02961	4.8
111.04581	1.0
113.02451	8.0
115.04060	1.3
117.03489	1.4
119.03504	8.2
119.05026	2.2
119.48206	0.9
121.06602	3.3
123.08204	1.2
125.02420	5.1
125.06115	1.9
131.03548	3.2
133.01410	1.1
133.02962	8.8
134.03778	1.0
135.03497	1.4
135.04512	20.2
135.08232	1.0
136.04907	1.2
137.02489	2.6
139.07640	1.2
143.03549	2.8
145.02982	1.1
147.04524	13.9
147.11833	2.1
149.04562	4.4
149.06042	0.8
151.06450	0.8
151.07652	14.9
151.11296	2.2
152.01129	2.3
153.01906	2.1
161.02434	36.4
161.04620	2.6
161.06056	2.2
162.02838	3.1
163.04074	1.5
167.07175	1.9
171.11911	1.9
173.04555	1.7
173.06020	1.1
173.09752	1.7
175.11328	2.0
179.03555	4.2
179.05664	7.7
179.07202	2.4
184.08878	5.8
187.11349	1.9
189.05592	1.6
189.12856	5.7
191.05695	3.3
199.11243	4.9
201.09306	2.6
202.10066	3.1
215.10872	2.5
217.12326	30.0
217.14299	1.9
218.12752	1.3
233.06749	2.8
235.13371	5.9
261.11386	2.7
279.12576	1.4
281.06839	1.2
293.08716	5.1
295.10321	2.2
330.13391	1.1
360.81241	1.1
395.19150	1.9
407.43521	0.9
420.00824	1.0
441.17834	100.0
442.17990	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	441.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05343	0.7
55.01871	2.3
56.90233	0.8
57.03452	2.2
58.00599	0.8
59.01377	100.0
61.98773	0.8
69.17830	4.3
71.01380	50.5
72.01723	1.3
73.02959	2.6
73.91870	0.7
75.18523	0.7
83.01394	2.5
84.67737	0.8
85.02949	11.4
87.00912	1.5
89.02444	48.3
95.01389	3.0
97.02950	1.4
99.00871	0.8
101.02442	34.1
107.05029	0.9
109.02946	6.7
109.06623	1.4
109.25535	0.8
111.04575	0.8
113.02441	21.9
119.03498	24.7
119.04311	1.4
122.03747	2.2
123.04552	1.1
124.05270	1.7
131.03534	1.9
133.02936	4.5
133.06595	12.1
135.04558	3.4
137.06122	1.7
139.07654	15.3
143.03519	2.5
147.04553	3.6
149.04564	1.6
149.06088	3.0
151.07658	1.1
159.03023	1.0
161.02444	15.7
161.04543	7.7
163.07729	0.9
169.08734	2.1
173.04636	1.3
173.28310	0.7
179.03532	3.6
179.05627	5.5
187.11292	1.2
191.05649	4.6
191.07144	0.7
194.83247	0.7
202.10036	1.3
204.11560	1.3
205.12366	3.4
207.06816	0.9
217.12364	2.8
221.04649	1.3
235.13483	2.7
237.25439	0.8
251.05548	1.1
253.41626	0.7
261.07605	0.9
281.06769	2.6
323.07706	1.0
330.13177	23.6
331.13950	14.4
341.08786	1.2
397.18680	5.3
441.17780	86.0
442.18152	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	441.1893
Annotation	Go 6983 6983
Peak:m/z	Relative Intensity
53.26097	3.7
59.01369	26.9
61.57963	3.6
61.98832	10.6
69.46642	16.3
71.01385	18.7
73.02950	7.7
85.02964	6.4
89.02454	14.4
96.96014	5.7
97.02936	3.8
101.02455	12.0
113.02485	4.9
117.05632	5.4
124.38231	3.5
124.65076	3.8
140.35811	4.3
158.30492	3.9
174.71539	4.3
395.15598	14.0
441.19110	100.0
442.19763	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	441.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	35.1
61.98599	4.2
61.98827	44.9
71.01363	17.2
75.00879	5.2
79.76171	5.0
89.02455	13.2
98.22665	15.2
101.02430	14.2
115.13739	6.5
118.99187	5.4
119.03514	7.7
157.92813	5.5
164.78172	5.0
165.30878	5.2
172.75700	5.9
193.04950	7.7
224.94913	5.4
245.21112	5.9
328.58112	5.7
350.31506	5.8
367.07214	6.0
379.16147	8.0
381.16617	28.8
441.19034	100.0
442.19162	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	442.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29710	0.4
59.01388	2.5
61.98829	100.0
66.22985	0.4
69.03460	0.7
69.55099	1.4
71.01389	1.4
71.02026	0.3
85.02998	0.5
87.00900	0.6
89.02452	1.0
95.05051	0.7
101.02471	0.4
111.10677	0.3
119.03513	0.4
119.05032	0.5
139.04080	1.0
161.02446	0.4
163.04045	0.5
195.40596	0.4
246.64069	0.4
248.12480	0.4
443.11865	4.6
443.16528	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33070	0.2
59.01395	0.8
61.98830	100.0
62.98555	0.2
67.21384	0.2
69.03451	0.2
69.48256	0.7
71.01374	0.9
73.02950	0.2
85.02984	0.2
89.02454	0.7
101.02467	0.4
113.02448	0.3
119.03587	0.3
119.05031	0.2
133.02980	0.3
134.87814	0.2
135.04543	0.4
149.04524	0.2
149.55713	0.2
151.66763	0.2
161.02484	1.0
161.04497	0.2
163.04051	0.3
191.05743	0.2
201.11313	0.4
209.12048	0.4
256.21280	0.2
267.70691	0.2
281.08835	0.4
382.17770	0.8
443.11722	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	1.2
59.01073	1.5
59.01379	47.6
61.98829	94.8
62.98534	1.0
63.99246	1.3
69.03456	37.3
69.37119	4.9
71.01387	22.7
73.02956	1.6
75.00865	1.3
83.01383	1.6
85.02951	5.3
87.00883	6.9
89.02444	22.4
93.03464	1.1
95.01358	1.8
95.05027	27.5
95.77892	1.0
98.22607	2.3
101.02446	12.7
113.02452	8.9
119.03492	8.9
119.05012	3.2
121.02966	7.7
121.06588	6.4
123.04512	3.7
129.07147	2.4
131.03520	0.9
132.02115	1.1
133.02972	7.5
133.06557	1.0
133.75053	0.9
135.04521	3.2
139.04010	20.6
147.08128	11.5
149.02457	3.3
149.06029	1.6
161.02460	3.9
161.04526	1.0
163.03978	3.6
165.01915	2.3
165.09200	3.5
167.03471	2.3
173.06114	1.3
175.07637	3.6
177.01932	2.0
179.03506	3.2
179.05716	1.7
191.07205	7.2
193.01497	4.5
193.05060	1.5
193.08589	0.9
202.66946	0.9
211.02467	5.1
219.06610	5.2
234.50620	1.1
237.07657	1.6
263.05423	1.1
281.06573	1.8
295.95801	1.0
371.13489	1.8
383.09924	1.5
399.12952	3.8
443.11932	100.0
444.12228	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	443.1557
Annotation	Manglieside B
Peak:m/z	Relative Intensity
57.41486	0.3
59.01376	6.0
61.94309	0.3
64.86761	0.3
69.03450	0.7
69.20432	1.7
71.00999	0.5
71.01379	5.8
73.02940	1.0
81.22791	0.3
85.02972	0.8
89.02443	8.2
89.08340	0.3
93.03470	0.8
95.01414	0.3
97.02950	1.1
98.21861	0.7
99.00857	1.5
101.02447	2.1
108.02151	1.3
109.02937	1.1
111.00882	0.4
113.02454	1.0
115.04033	0.6
119.03515	0.3
119.05091	0.3
121.02953	0.7
122.03740	0.9
125.02448	4.3
127.04037	0.3
131.03477	1.2
131.05002	0.4
133.02882	0.3
135.04532	0.7
143.03543	0.5
147.04501	1.5
148.05295	1.9
149.06079	100.0
150.06400	3.1
152.01169	0.5
153.00113	1.0
153.01952	1.1
161.02429	1.1
179.03560	0.4
191.05623	1.6
193.01402	0.3
233.06631	4.3
233.08820	0.4
263.05603	0.8
293.08774	6.9
294.09229	0.4
400.83066	0.3
407.19165	1.0
443.15283	4.1
444.15948	0.7
468.06845	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79915	0.8
55.01859	1.2
56.16301	0.7
57.03434	1.0
59.01381	62.0
60.01703	1.0
61.98826	1.8
69.03455	1.8
69.07530	0.7
69.40253	1.6
69.40642	1.5
71.01382	36.2
72.99279	1.4
73.02946	10.7
75.00828	0.7
78.94541	0.7
83.01402	1.6
85.02942	8.2
87.00855	1.2
89.02445	61.3
93.03432	0.8
95.04971	0.8
97.02937	2.3
99.00880	13.1
101.02443	31.6
102.02796	0.9
105.03439	1.9
109.02953	1.5
113.02454	7.5
117.03448	2.1
119.03488	3.1
119.05031	1.5
123.04503	1.1
125.02422	1.8
125.28503	0.8
131.02533	0.9
131.03502	13.8
132.02153	1.7
133.02959	42.1
134.03563	1.2
135.04518	8.4
143.03493	1.8
145.02946	4.3
149.04558	47.4
150.04910	1.1
161.02443	100.0
161.04596	3.4
162.02769	3.7
163.03999	2.1
167.07092	1.2
175.07616	1.8
177.01947	5.7
177.05531	0.9
179.03455	6.5
191.05630	14.8
221.04643	1.3
221.06697	2.6
231.16643	0.8
251.07765	2.0
269.10272	1.0
281.06259	1.2
281.08972	1.8
293.08774	1.7
293.99677	0.7
311.10056	2.1
341.08911	1.3
344.13495	0.8
383.09824	8.3
401.14612	7.2
416.05466	0.8
443.15738	66.2
444.16031	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	443.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14588	0.4
55.01876	0.5
58.31398	0.3
59.01114	0.6
59.01380	8.2
59.71090	0.4
61.98804	0.6
71.01381	6.1
73.02934	2.2
73.81173	0.4
83.01359	1.1
85.02956	3.6
86.47765	0.4
87.00887	0.6
89.02443	2.5
92.48451	0.4
93.03434	0.6
98.22680	0.9
99.00896	0.7
101.02439	4.8
105.03450	0.5
107.05039	0.8
113.02496	2.0
117.03456	1.6
119.03523	0.8
119.07136	0.7
121.02956	0.6
123.04518	0.5
132.02197	0.8
133.02954	27.2
134.03781	3.4
135.04527	26.0
136.04813	0.8
137.02420	0.5
159.02936	0.4
160.01750	0.5
161.02440	100.0
162.02802	4.8
179.03496	12.6
180.03786	0.5
191.05588	1.2
227.22865	0.4
263.09128	1.3
281.10245	1.6
443.15540	97.7
444.15814	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	443.192
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01872	1.3
57.03442	1.4
59.01378	42.0
67.59784	0.5
69.03430	0.6
69.35372	2.8
69.35725	0.9
71.01379	23.0
73.02943	4.6
81.19328	0.5
83.01378	2.6
83.05013	0.7
85.02956	7.9
87.00862	1.5
88.98810	0.8
89.02446	14.4
90.26089	0.6
95.01388	1.5
99.00895	1.4
101.02435	16.1
111.04505	1.1
113.02455	9.5
119.03500	5.2
122.32340	0.6
123.08073	0.6
125.02460	1.0
131.03511	0.9
131.05035	0.6
133.02945	1.9
149.04503	0.8
161.02464	4.4
161.04591	1.1
171.11736	1.2
179.03577	1.2
179.05510	0.9
189.12863	1.3
212.70137	0.6
233.06596	0.6
237.14905	1.1
279.58948	0.7
281.06586	0.9
293.08560	0.7
382.64175	0.8
383.09641	2.2
443.19186	100.0
444.19443	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	443.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.4
59.01378	2.1
69.03453	1.2
69.41512	1.8
71.01382	27.1
72.01701	0.5
72.99311	8.8
83.05001	0.8
85.02952	8.6
93.03465	0.8
97.02935	1.4
97.06576	1.7
98.22604	1.0
113.85416	0.5
115.00377	9.8
125.09674	0.9
126.76511	0.5
127.11302	1.3
133.01462	3.6
133.03038	1.0
133.06494	0.6
135.04517	0.9
137.09712	2.9
150.71523	0.5
155.10820	0.7
161.02467	1.7
171.10274	23.5
172.10632	0.9
173.04568	1.3
177.12885	0.8
179.03577	1.6
183.13914	1.3
185.11914	0.8
191.05533	1.1
201.11281	1.0
209.11885	0.8
211.13406	9.2
221.11928	1.6
229.14404	6.3
236.53526	0.5
239.12891	1.3
291.19589	1.7
327.21768	100.0
328.22110	6.7
340.16208	0.5
403.37158	0.5
425.21698	4.0
443.04410	0.7
443.22974	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	443.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.8
59.01374	1.9
61.98829	1.3
69.03435	1.1
69.39221	0.6
70.58771	0.7
71.01380	26.3
71.05021	0.6
72.99310	8.8
83.05022	1.1
85.02948	4.1
87.00842	0.5
89.02440	1.0
93.03521	0.5
96.66714	0.5
97.02942	0.7
97.06606	2.8
101.02449	0.6
115.00368	8.1
125.09727	1.3
127.11263	0.8
133.01439	1.8
135.04530	1.0
137.09737	1.1
161.02451	1.2
162.02875	0.5
165.12857	1.0
167.14394	0.5
171.10263	9.1
173.04703	1.1
177.12857	1.0
179.03488	1.0
183.13898	2.5
185.11795	0.9
191.05542	1.3
193.12389	1.2
209.11810	1.6
211.11366	0.8
211.13397	16.5
221.11874	2.5
229.14439	11.6
230.14656	0.6
239.12866	1.3
247.20741	0.5
259.96689	0.5
281.00970	0.7
291.19739	2.2
309.20697	1.1
325.20261	1.3
327.21759	100.0
328.22134	7.3
368.91296	0.5
399.05194	2.5
425.21832	4.5
443.04126	6.3
443.22946	5.7
444.23425	1.1
464.40091	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96730	0.4
70.99971	0.5
71.14241	0.5
74.99081	0.7
86.58063	0.3
89.35338	0.4
93.00172	0.6
93.56422	0.3
123.26221	0.4
154.88460	0.3
159.08490	3.7
161.06369	0.8
208.48868	0.4
217.07196	0.8
275.06302	0.4
277.07550	2.4
343.12082	0.7
345.13828	1.1
357.13812	2.1
359.15341	100.0
360.15518	11.4
425.19925	0.8
427.21597	48.0
428.21832	6.4
443.24698	8.3
443.30756	0.5
444.25006	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63272	0.4
58.76286	0.4
59.01378	100.0
60.01729	0.8
61.98838	0.6
69.18572	2.3
79.75160	0.4
82.28926	0.4
91.04001	2.1
96.96014	3.7
99.92621	1.4
111.08181	1.2
116.92899	1.3
118.89983	0.8
125.02467	0.5
135.90344	0.5
137.48373	0.4
169.27635	0.4
197.11836	5.1
211.13377	2.4
272.16611	0.4
285.01944	0.4
291.19653	3.1
303.60971	0.4
309.20654	7.8
310.21243	0.6
353.14844	0.8
368.17371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45146	1.2
57.07396	1.3
59.01377	100.0
61.27692	1.3
61.98838	4.4
70.54786	1.6
71.43015	1.9
84.83912	1.4
91.03999	6.5
96.96011	14.4
99.92600	1.9
100.93369	1.7
111.08196	2.7
115.92001	1.7
116.92866	4.6
121.37394	1.4
122.66248	1.5
154.02586	1.4
160.84169	1.3
193.02797	1.4
197.11823	7.6
206.86765	1.5
211.13437	1.8
255.13608	2.1
271.13034	1.5
291.19656	4.4
309.20724	13.6
425.22849	1.8
443.17938	2.5
443.23938	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	444.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96777	1.3
59.01370	4.4
61.98831	38.8
65.00318	3.9
65.88766	1.1
66.27319	1.1
68.45714	1.1
70.92756	2.1
71.01384	1.6
71.59871	1.2
72.99297	1.4
83.01405	1.5
88.02781	1.2
107.01385	5.2
113.08425	1.2
120.20548	1.4
121.02937	2.0
125.02457	7.4
133.02974	1.9
135.04507	2.9
135.35464	1.2
149.20149	1.2
151.00380	18.3
161.02444	6.5
167.03636	2.6
172.05304	5.5
173.04576	2.1
175.04021	1.7
177.01868	1.9
179.03458	2.2
185.06070	1.8
191.05716	1.6
200.04842	1.6
201.09239	1.7
211.13437	2.6
224.04787	3.1
227.03410	2.2
229.08733	4.8
240.04451	1.8
255.02930	9.9
255.06688	4.0
264.04315	2.6
283.02588	8.1
283.05188	2.0
295.09714	2.2
296.03503	1.7
308.03180	1.8
309.04044	13.1
323.05554	4.7
329.23422	2.7
334.04883	2.7
337.07153	14.7
337.10971	1.5
351.05145	1.8
352.05847	1.7
381.09793	100.0
382.10202	7.1
439.69507	1.3
445.11954	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	444.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.4
55.96683	1.5
57.03447	3.0
59.01379	29.5
61.26271	2.0
69.10329	3.0
69.10729	7.3
71.01014	3.0
71.01382	41.4
73.02944	21.5
83.01385	7.6
85.02952	23.1
89.02450	10.2
95.01392	3.2
97.02905	3.3
99.00881	7.0
101.02434	38.1
109.86586	2.1
111.00896	1.7
113.02449	18.3
119.03494	2.3
125.02466	2.5
130.06149	1.7
142.49947	1.9
143.03505	2.8
159.02927	3.9
161.02385	1.8
161.04570	20.8
168.69504	1.6
176.74532	1.7
255.84715	1.7
269.10287	54.8
280.22705	1.9
314.64786	1.7
376.65915	1.9
401.14520	100.0
402.14746	7.2
425.99210	1.8
444.16016	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	444.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99142	0.9
59.01377	1.3
61.98831	100.0
69.70499	0.9
69.70835	3.4
78.95910	5.0
110.98545	2.8
119.45638	1.0
131.03114	1.0
166.03169	0.9
167.01183	1.1
185.02267	4.2
200.36821	0.8
203.20747	0.9
217.66148	0.9
224.41516	1.0
255.03046	3.5
277.21722	85.3
283.02310	1.3
363.58249	0.9
376.52432	1.0
445.23453	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	444.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29583	0.6
59.01389	1.2
61.86846	0.6
61.98830	100.0
70.52608	1.0
75.54160	0.6
78.95907	2.4
110.98534	1.8
118.90031	0.7
181.41670	0.6
185.02254	2.0
253.72168	0.6
255.03078	1.2
276.74051	0.6
277.21725	44.6
283.02588	0.7
294.06549	0.6
361.32928	0.6
445.23746	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	445.1141
Annotation	5,8-Dihydroxy-3,7,2',3',4'-pentamethoxyflavone 8-acetate
Peak:m/z	Relative Intensity
54.81660	0.7
59.01388	3.4
69.03445	0.7
71.01376	0.9
81.03466	1.7
85.02943	0.8
93.03452	0.8
101.02444	0.7
108.02177	77.7
109.02961	85.5
110.03268	2.1
116.62752	0.7
117.00311	0.7
121.02960	0.8
123.00861	1.5
123.04510	0.8
125.02418	0.8
125.81239	0.6
133.02957	0.8
135.00844	1.0
135.04526	2.3
147.04553	4.7
151.04065	1.2
152.01158	56.8
153.01947	61.7
154.02283	2.4
161.02454	2.4
163.04079	1.0
173.04579	0.8
177.07280	0.7
179.03455	1.7
183.08163	0.9
195.02892	0.9
197.06082	0.7
211.07634	3.2
230.01437	0.8
239.07109	5.1
255.03027	5.3
266.85815	0.7
283.02435	2.9
284.03378	0.9
285.00049	0.7
296.03210	1.0
297.06293	1.2
330.02963	0.7
334.15399	1.1
375.21909	0.8
415.17990	0.8
432.22116	0.8
445.11407	100.0
446.11816	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	445.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.6
59.01383	7.6
69.58510	1.9
69.58851	0.9
71.01380	3.9
73.02932	1.4
75.79041	0.5
83.01372	0.8
85.02959	1.5
89.02432	4.0
94.87908	0.5
101.02445	3.5
106.57868	0.6
107.05024	1.3
113.02439	2.2
117.03443	1.3
119.03497	1.0
121.05078	2.4
132.02180	1.8
133.02957	24.2
134.03676	2.0
135.04524	38.1
137.02393	0.7
151.04053	1.0
161.02441	100.0
162.02785	3.4
162.82947	0.6
168.96788	0.7
179.03496	21.6
185.69695	0.6
221.04393	0.8
257.74814	0.7
303.82843	0.7
348.51117	0.6
445.13495	87.9
446.13913	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	445.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	0.4
59.01381	22.4
69.03457	6.2
69.10255	1.2
69.10670	1.3
71.01009	0.6
71.01385	9.2
72.11217	0.4
72.99310	15.4
79.05538	0.7
81.64520	0.4
83.01386	0.4
85.02935	2.0
87.00867	0.9
87.60175	0.4
89.02448	6.5
93.03477	0.7
95.01363	0.5
95.05030	11.6
95.28457	0.4
97.02942	0.5
97.06595	0.6
101.02447	4.6
107.05032	10.1
108.05338	0.5
109.06580	0.6
113.02459	3.1
119.03498	2.2
119.05027	1.7
121.02979	0.4
121.06609	2.4
123.04557	2.3
125.06027	0.5
131.05002	0.5
131.08650	0.4
133.06604	1.6
134.25974	0.4
137.06110	1.4
139.04015	16.6
140.04311	0.6
147.08170	1.8
149.02307	0.5
149.09734	1.1
151.04019	12.1
157.06602	1.4
159.08154	2.0
169.05095	4.4
175.07642	1.5
177.09245	0.8
195.02963	3.0
199.12584	0.4
203.07146	1.4
211.09819	1.3
213.04071	4.8
221.08179	10.3
222.08514	0.8
239.09230	4.4
265.07236	1.2
401.14560	1.1
445.13501	100.0
446.13846	8.0
467.06479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01649	0.6
59.01381	22.6
64.03574	0.7
69.03456	6.1
69.70766	2.1
69.71098	0.7
71.01385	10.4
72.41077	0.7
72.99308	18.8
73.02944	0.8
81.88810	0.6
83.55090	0.6
84.97510	0.6
85.02942	1.9
87.00874	1.2
89.02441	7.4
91.05574	0.8
95.01357	1.1
95.05034	9.7
96.58651	0.7
97.06617	1.5
98.21893	0.9
101.02459	5.9
106.04251	0.6
107.05019	8.1
109.06561	1.0
111.57920	0.6
113.02448	2.6
119.03509	2.2
119.05014	2.1
121.06596	3.3
123.04538	3.4
123.08119	0.8
132.05760	0.7
133.06560	2.1
136.80608	0.7
137.06114	1.2
139.04004	12.2
141.07114	0.9
145.06514	0.9
147.08125	2.4
149.09723	0.8
151.04001	11.5
151.07643	1.2
157.06563	1.8
159.08165	3.7
169.05069	4.5
175.07631	2.7
195.02980	2.6
203.07086	1.8
211.09727	1.5
213.04033	8.9
221.08170	18.1
239.09242	6.8
265.07126	4.0
345.47595	0.8
361.16913	0.8
401.14520	2.9
437.03036	0.7
445.13464	100.0
446.13834	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	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19946	0.7
52.54706	0.8
57.03453	1.2
59.01379	100.0
59.68380	0.9
61.98833	2.7
69.03455	1.1
69.21915	0.7
69.63078	3.0
70.45481	0.8
71.01385	25.6
73.02943	3.6
81.17935	0.8
85.02522	0.8
85.02956	5.8
87.00880	3.1
89.02445	39.7
89.05403	0.8
93.03448	1.3
95.01382	1.8
101.02441	16.2
113.02460	12.7
119.03507	16.6
131.03493	2.6
133.02998	2.0
138.65898	0.8
143.03473	4.1
149.04533	2.1
151.07602	1.0
152.08463	0.9
153.09238	3.7
161.02431	4.8
161.04532	8.7
162.02785	1.5
163.11162	1.0
179.05615	18.8
187.11388	1.1
191.05608	2.0
195.04874	0.9
205.12357	4.3
223.13364	2.1
385.18683	8.7
386.18140	1.0
445.16635	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	445.236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.5
63.81831	0.3
78.95903	6.0
90.40518	0.4
110.73788	0.3
110.98523	4.7
125.46765	0.3
167.01140	2.3
168.65759	0.3
185.02211	4.2
208.02663	0.4
233.22629	0.5
255.02986	0.4
275.20099	0.6
277.21710	100.0
278.22083	8.3
279.28931	0.3
283.02563	0.6
445.23575	7.9
446.23672	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.2
61.01026	0.4
65.49677	0.4
69.25629	2.5
75.88192	0.4
78.95908	6.2
92.71432	0.4
97.49789	0.4
102.72668	0.4
110.98531	3.9
122.59824	0.4
127.07729	0.5
138.74689	0.4
144.89728	0.4
152.99594	0.5
167.01131	2.3
185.02200	3.8
191.46918	0.5
233.22697	0.5
249.31880	0.4
255.02859	0.8
277.21722	100.0
278.22046	6.8
445.23602	8.9
445.29678	0.5
446.24118	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23439	0.2
59.01368	0.6
61.98825	0.6
69.03436	0.5
70.21777	0.2
70.23883	0.3
70.24205	0.4
78.08785	0.2
81.80719	0.2
83.05045	0.3
155.10754	0.6
165.12846	1.9
167.10786	0.4
167.14381	0.6
181.12288	0.3
181.88133	0.3
183.13907	10.0
192.87988	0.3
193.12337	2.6
205.12070	0.5
211.13391	100.0
212.13731	4.3
233.11580	31.0
234.11845	1.3
255.02954	2.3
283.02579	1.5
306.75156	0.3
322.45352	0.3
331.11450	0.3
340.61871	0.3
401.08408	0.2
445.25674	15.8
446.08432	0.3
446.25912	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42365	0.8
59.01378	100.0
59.32701	0.6
60.98378	0.7
61.98812	3.1
69.98920	2.6
78.81646	1.0
89.02430	1.6
91.04011	5.3
96.96001	12.5
98.21915	1.0
107.78275	0.8
112.98563	1.0
117.72313	0.7
119.99407	0.8
133.55168	0.8
163.07289	0.9
182.55058	0.8
184.78391	0.7
209.16124	0.9
210.96422	0.9
211.13318	1.9
247.02275	2.8
255.03014	7.1
272.04471	1.4
283.02551	5.4
284.03137	0.9
293.21216	1.1
296.03366	1.3
307.01614	2.2
311.22232	19.9
409.09702	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98837	2.3
63.56273	0.6
64.19252	0.7
69.98882	1.4
78.95910	3.0
89.02421	0.9
91.04036	2.8
96.96008	8.5
98.21920	0.7
120.17700	0.6
152.99559	1.5
211.13483	1.6
255.02963	8.3
283.02515	6.1
293.21277	0.9
296.03305	1.2
311.22281	14.4
311.25546	1.1
312.22690	1.3
385.13074	1.2
446.23245	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11874	0.3
57.03433	0.6
58.86373	0.3
59.01378	0.8
61.98828	100.0
62.98508	0.4
65.00314	1.6
70.00861	0.7
71.01382	0.7
76.73653	0.3
81.03472	0.4
83.01393	1.2
101.74089	0.3
107.01390	2.2
107.99507	0.3
111.92896	0.3
123.04530	1.5
125.02444	4.1
133.02954	0.8
135.04541	0.6
135.17940	0.4
151.00366	10.8
163.07697	0.5
167.03481	2.9
172.05313	0.7
184.37196	0.4
187.07628	5.5
187.09166	0.5
199.04024	0.7
201.05592	0.4
202.06352	2.8
215.07233	1.2
227.03505	0.4
231.10222	1.7
241.05066	0.5
255.02991	3.5
256.03674	1.3
283.02591	1.6
284.03241	10.6
285.04034	16.7
301.06201	0.4
329.23380	1.0
330.23785	0.7
339.08688	1.8
365.10248	0.5
383.11349	8.6
384.11731	0.8
390.08160	0.3
446.08270	1.7
446.34262	1.5
447.09290	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	446.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04001	0.2
57.03445	0.4
59.01374	0.6
61.98830	100.0
63.02398	0.6
65.00329	1.6
67.52459	0.2
69.33565	0.3
81.03459	0.4
83.01405	1.1
95.45229	0.3
98.21776	0.5
100.05415	0.2
101.02453	0.3
106.85080	0.3
107.01390	2.5
117.38627	0.3
123.04515	1.9
125.02438	4.2
133.03004	1.0
145.18254	0.3
151.00375	10.6
151.01523	0.6
151.03979	0.5
159.04535	0.3
167.03496	3.5
172.05324	0.5
173.04572	0.3
187.07639	6.4
201.05664	0.9
202.06349	1.9
213.09282	0.3
215.07083	1.4
227.03664	0.4
231.10355	1.3
234.69707	0.3
255.02998	6.7
255.05583	0.4
256.03598	1.1
257.08212	0.6
265.04153	0.3
283.02515	2.8
284.03287	10.1
285.04059	15.7
339.08765	2.3
383.11349	9.3
384.11929	0.9
446.08594	4.2
447.09299	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	446.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.7
61.98830	100.0
70.70168	0.3
71.01373	0.3
84.23508	0.2
89.02459	0.6
96.96057	0.2
101.02470	0.4
108.02177	1.7
109.02973	0.6
109.53741	0.2
112.11366	0.2
118.86861	0.2
135.04550	0.5
136.04813	0.3
137.02478	0.4
138.02852	0.4
152.01164	3.2
161.02512	0.8
162.02861	0.7
208.86197	0.3
229.59483	0.2
239.04599	0.2
446.14029	1.2
447.11365	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	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.5
63.02403	1.5
65.00331	1.1
69.18708	2.3
72.99308	0.5
83.01395	1.3
85.02953	0.4
89.02427	1.0
95.01425	0.4
101.02444	0.5
107.01394	2.5
109.02938	0.6
113.01691	0.3
132.02161	0.4
133.01434	0.8
133.02943	4.4
134.03725	1.4
135.04539	0.4
148.01674	0.6
149.02441	1.3
151.00366	5.1
171.04483	0.5
175.03979	1.9
185.06078	0.5
191.05705	0.4
198.03308	0.4
199.04022	2.0
200.04793	0.8
201.02065	0.4
211.04041	1.5
212.04716	0.5
213.05594	0.7
214.02644	0.4
217.05136	0.7
227.03514	1.7
228.04094	0.5
239.03516	0.8
241.05121	0.9
243.02968	0.4
255.02942	2.1
256.03754	4.1
257.04269	0.4
283.02426	0.7
284.03262	61.0
285.04025	100.0
286.04401	6.0
297.03934	0.5
301.03586	0.5
327.05145	1.0
447.09308	71.5
448.09680	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	447.0931
Annotation	luteolin-7-O-glucoside
Peak:m/z	Relative Intensity
59.01361	0.9
63.02401	1.3
65.00336	1.1
78.08247	0.3
81.90398	0.3
83.01376	1.0
107.01385	2.9
107.35432	0.3
109.02958	0.3
115.50363	0.3
121.02950	0.6
133.02954	4.6
134.03716	1.1
138.62495	0.3
148.01649	0.6
149.02440	1.7
149.99619	0.6
151.00359	5.0
173.02423	0.4
175.03940	1.5
198.03238	0.4
199.03964	1.7
200.04785	0.3
201.01971	0.5
211.03983	1.1
212.04710	0.5
213.05540	0.5
215.03561	0.4
217.05080	0.8
223.03816	0.4
227.03461	1.5
239.03430	0.8
241.05031	0.9
243.02939	0.6
255.02896	0.7
255.69194	0.3
256.03806	3.8
257.04361	0.6
267.02869	0.3
269.04483	0.4
283.02512	0.4
284.03268	63.5
285.04028	100.0
286.04413	5.9
297.04022	0.4
327.05051	1.2
447.09320	38.0
448.09769	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	447.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	3.2
67.09842	0.6
69.03444	0.6
70.84942	0.8
71.01376	6.7
72.99319	1.4
73.02946	2.2
75.00863	1.5
79.52488	0.6
81.03472	0.6
85.02957	2.4
85.10173	0.5
85.15396	0.5
89.02437	1.4
93.03454	0.6
95.01373	0.7
99.00871	2.4
101.02431	3.0
105.01931	30.4
108.02174	43.6
109.02968	19.1
110.03248	0.6
113.02454	2.8
135.04526	0.7
151.04005	2.7
152.01147	90.1
153.01967	6.3
159.02931	0.8
161.04489	1.6
163.04045	3.6
177.01947	0.6
271.08420	0.8
315.07214	1.0
324.83972	0.6
423.94824	0.6
447.11401	100.0
448.11697	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	447.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.7
61.98816	1.7
70.50418	1.1
71.01379	5.0
73.02953	2.9
75.41523	0.5
76.66841	0.4
83.01399	0.5
85.02942	3.8
89.02441	2.1
96.96002	0.5
99.00885	2.4
101.02452	3.7
108.02175	48.0
109.02978	16.4
113.02461	2.4
118.41882	0.4
121.02917	0.5
123.04536	0.6
125.02493	0.6
133.02977	0.6
135.04512	0.8
151.03999	1.9
152.01157	95.7
153.01871	4.3
161.04573	1.4
163.03996	2.5
177.01987	0.6
207.03011	0.9
211.85909	0.5
212.15521	0.5
225.07651	0.5
258.85428	0.5
284.03366	0.6
285.03967	0.7
315.07260	1.3
328.86157	0.6
408.47214	0.5
447.11420	100.0
448.11777	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	447.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.2
59.11870	0.3
66.58743	0.3
69.84895	0.7
72.99314	3.1
75.00872	5.2
83.38937	0.3
103.00365	0.6
105.01936	100.0
106.02285	1.1
109.39996	0.3
114.33864	0.3
192.73503	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	41.0
60.01694	1.2
61.01788	1.1
68.99818	9.6
69.03443	1.1
69.38737	2.7
71.01373	8.1
73.01797	0.8
73.02951	1.6
83.01386	0.9
85.02960	2.3
87.00894	0.8
89.02449	7.1
95.01424	1.5
99.00897	1.0
101.02448	43.5
102.02795	1.0
107.05035	1.3
113.02451	2.0
117.03445	0.9
119.03465	1.8
121.05096	1.3
123.04545	1.0
124.01630	0.9
125.02444	3.7
133.02963	15.0
134.03226	5.6
135.03526	3.4
135.04538	46.9
136.04857	18.5
137.05032	9.4
141.05661	0.9
143.03500	1.1
151.04022	1.7
153.01909	1.7
155.03494	0.9
161.02448	47.1
162.02788	20.3
163.02959	16.7
168.00670	1.8
179.03491	20.8
179.05220	1.4
179.05724	1.2
180.03844	9.2
181.03983	10.6
184.94379	0.7
195.06694	1.9
225.07681	35.5
226.08086	1.5
243.08867	1.9
284.03311	2.1
285.03979	3.7
286.98315	0.8
313.05377	1.0
405.21198	1.3
447.14136	100.0
448.14560	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58399	0.5
59.01377	100.0
60.01715	1.1
68.99817	6.2
69.03462	1.6
69.41380	1.6
71.01377	16.8
75.03352	0.5
85.02967	2.3
87.00875	0.6
89.02442	21.3
90.02802	0.6
93.03442	0.6
95.01385	6.6
101.02435	18.2
113.02446	6.4
119.03483	6.7
121.02965	0.6
123.04523	8.8
127.72590	0.5
131.03546	0.9
143.03534	1.0
149.02531	0.6
155.03500	15.2
161.04526	0.9
163.84239	0.5
179.05678	2.7
181.05150	1.3
225.07745	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82348	0.8
59.01379	100.0
60.01708	0.8
68.99818	25.0
70.80302	1.6
71.01375	2.2
83.63363	0.7
84.95133	2.1
89.02432	1.6
93.03441	1.9
101.02444	92.3
102.02816	1.0
106.69771	0.8
107.05043	1.5
114.85504	0.9
118.73225	0.8
123.04546	1.6
135.04523	3.1
153.05580	1.0
163.03940	0.9
187.56902	0.8
195.06691	5.7
207.31322	0.8
211.06050	1.6
222.08575	0.9
225.07677	78.8
226.08020	3.4
285.04111	2.7
286.04245	1.1
339.37234	0.8
447.09238	1.6
447.15225	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1507
Annotation	CHEBI:68964
Peak:m/z	Relative Intensity
51.62983	0.5
55.90663	0.5
59.01381	26.4
60.01652	0.5
61.94603	0.6
68.99815	5.0
69.23653	3.3
71.01381	4.8
73.02962	0.7
84.95132	1.6
89.02448	7.5
89.34473	0.6
93.03510	1.0
95.04983	0.8
97.03000	0.8
98.22581	1.3
99.00925	1.3
101.02449	21.6
101.87592	0.7
110.38948	0.6
113.02448	0.8
123.04529	81.9
124.04866	1.9
125.02455	4.1
131.03592	1.3
135.03644	0.7
135.04497	3.6
149.04581	2.1
153.05580	100.0
154.05925	2.5
170.10612	0.6
191.05666	1.4
195.06647	1.2
225.07663	16.6
233.06644	3.8
284.03137	1.0
285.04126	1.0
293.08829	9.4
388.51334	0.7
388.76068	0.6
440.25647	0.7
447.09537	0.5
447.14923	8.1
454.23279	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03429	0.8
59.01379	100.0
60.01722	0.9
61.98824	1.1
65.00340	0.4
66.81788	0.4
68.99808	1.4
69.03462	1.0
71.01382	15.3
72.99310	0.5
73.02948	1.9
74.99155	0.5
80.16135	0.4
83.01394	1.3
85.02969	3.3
85.96659	0.4
87.00887	1.3
89.02444	17.6
95.01392	2.3
99.00919	0.8
101.02445	11.9
107.01363	0.6
108.02215	0.6
113.02448	6.5
119.03494	6.5
123.04525	5.6
125.02500	0.5
131.03479	0.5
133.02943	3.7
134.03761	0.7
135.04517	1.8
143.03499	1.6
149.02411	0.7
149.04567	0.5
151.00359	2.9
155.03505	7.3
159.02942	1.0
161.02469	6.6
161.04536	7.4
175.04007	1.4
179.05606	3.5
181.04990	0.6
191.05592	3.1
199.04050	2.0
207.10162	0.4
211.03944	0.6
225.07648	1.4
225.14830	0.6
227.03490	1.0
228.98383	0.5
241.05029	1.7
255.03111	0.9
256.03769	2.2
257.04303	0.5
267.09106	0.5
267.12259	1.7
284.03268	28.6
285.04034	58.9
286.04312	2.9
323.07681	0.7
327.04977	0.9
371.12473	0.7
387.20236	10.6
388.20483	1.0
439.71600	0.6
447.09106	41.2
447.22964	2.8
448.09555	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	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10355	0.4
59.01380	100.0
60.01722	1.2
63.71585	0.4
69.29794	0.9
69.30198	1.3
71.01380	8.6
72.99314	0.7
85.02948	0.9
89.02447	15.6
95.01451	0.5
95.79020	0.4
101.02449	4.6
111.08537	0.4
113.02442	3.6
115.89043	0.4
119.03507	5.9
131.03525	0.6
143.03531	1.5
149.04648	1.1
161.04628	2.7
179.05617	13.4
179.07133	0.7
285.04288	0.5
447.09109	0.6
447.14511	1.5
447.22632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50705	0.3
59.01381	100.0
60.01712	0.8
61.98825	2.1
68.99808	2.0
69.03463	0.5
69.41582	1.3
69.41983	0.8
71.01379	3.7
73.02952	0.7
78.31929	0.3
85.02969	1.3
86.09324	0.4
89.02443	2.5
99.00884	0.4
101.02449	10.0
113.02467	1.7
119.03555	1.0
123.04514	2.0
123.08181	1.4
125.02441	0.5
131.03539	0.4
135.33051	0.4
139.04036	0.9
153.09291	0.4
156.47174	0.4
157.05110	0.5
161.04549	3.4
163.11301	1.2
179.05659	1.3
181.68689	0.4
189.12880	2.6
207.13887	4.2
225.07689	8.5
225.15007	1.3
226.08081	0.4
257.75897	0.4
374.23203	0.4
387.20175	3.8
424.73962	0.4
447.15292	1.2
447.22177	0.5
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
54.56741	0.5
59.01380	100.0
60.01722	0.7
61.98837	0.7
65.86717	0.5
67.84516	0.4
69.19118	0.5
69.52877	1.6
70.40723	0.4
71.01379	6.3
73.02935	0.8
85.02947	1.1
88.98827	0.9
89.02449	9.0
89.02997	0.6
95.01378	0.5
96.30951	0.4
97.73834	0.4
101.02446	4.2
104.59412	0.4
113.02428	3.5
119.03509	4.3
143.03473	0.8
149.04584	0.7
161.04561	3.8
179.05661	2.7
189.12929	1.3
207.13803	0.6
387.20224	7.6
388.20807	0.7
445.88181	0.4
447.22534	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01869	1.3
56.99818	0.4
57.03435	1.0
58.00589	1.4
59.01377	100.0
60.01706	0.7
65.32828	0.3
69.03447	0.7
69.21107	0.7
69.21514	0.9
71.01381	56.1
72.01720	0.6
72.99302	1.0
73.02943	18.4
75.00837	0.4
81.03448	0.6
83.01392	2.2
85.02949	8.1
87.00882	1.4
89.02443	99.3
90.02774	0.9
95.01382	2.8
96.75630	0.3
97.02946	2.0
98.21778	0.5
99.00877	22.8
100.01213	0.3
101.02442	38.9
102.02780	0.5
111.00859	0.4
113.02447	15.6
114.02742	0.3
115.03992	1.2
119.03500	16.0
125.02447	4.2
130.69653	0.3
131.03502	16.1
143.03494	3.5
149.04550	49.6
150.04929	0.9
151.00307	0.5
161.04550	3.2
179.05611	6.4
191.05600	12.6
204.03528	0.3
221.06651	1.6
225.14545	0.3
232.97479	0.3
233.06644	1.3
251.07729	3.9
256.03778	0.5
284.03287	4.1
285.04050	8.1
293.08829	0.8
315.18182	0.5
397.70901	0.3
447.09409	5.9
447.22321	25.9
448.09775	0.5
448.22699	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30907	0.3
58.24738	0.3
59.01379	0.7
70.59520	0.5
70.59859	0.5
77.70345	0.3
78.95901	5.7
104.97508	0.3
107.70972	0.3
110.98534	4.5
133.02936	0.5
151.00343	0.4
152.99597	0.4
167.01192	1.7
185.02179	3.8
215.03204	0.4
256.03845	0.4
261.22260	0.6
279.23282	100.0
280.23630	7.3
284.03247	6.2
285.04050	10.8
286.04321	0.4
321.12402	0.3
447.09302	6.4
447.25198	6.7
448.09750	0.5
448.25253	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87538	0.5
58.57465	0.6
59.01383	11.7
59.67743	0.6
69.19189	2.2
69.19592	1.0
78.95911	5.2
85.06578	1.2
93.21265	0.6
98.21877	1.2
99.17740	0.6
99.92593	0.6
109.66796	0.6
110.98521	2.9
149.02449	0.6
151.00368	1.3
167.01111	1.2
175.04025	0.7
177.62260	0.6
185.02141	2.9
199.03943	1.0
199.13431	1.2
221.11461	1.2
233.19073	2.6
256.03870	1.0
279.19748	11.4
279.23264	100.0
280.23596	7.7
284.03271	18.2
285.04034	31.4
286.04370	1.8
301.17825	8.3
302.18100	0.8
319.18866	22.4
320.19327	1.0
347.25854	2.3
363.17798	6.2
365.26947	50.7
366.27362	3.7
387.25201	12.7
388.25360	0.8
431.24103	1.1
438.12671	0.7
447.09311	23.6
447.26093	11.2
448.09659	1.6
448.27307	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	30.2
60.01711	2.8
61.01802	1.3
61.98829	100.0
63.76075	0.3
68.99821	0.3
69.27825	1.3
71.01392	3.1
72.01723	0.6
73.02944	0.6
83.01382	0.3
85.02962	0.7
88.98833	0.6
89.02438	3.6
90.02795	0.5
91.02873	0.4
98.67632	0.3
99.00919	0.4
101.02444	4.0
102.02833	0.5
113.02477	1.1
114.02795	0.5
119.03535	1.1
123.08157	0.4
127.04030	0.7
127.62482	0.3
139.30418	0.3
153.09186	0.9
154.09576	0.6
155.09723	0.4
161.04614	0.9
174.35941	0.3
176.14973	0.3
179.05638	1.0
180.05963	0.4
206.12701	0.5
207.13922	0.4
208.14337	0.4
211.25568	0.3
225.07681	0.3
226.08023	0.3
227.09206	1.5
286.04529	0.4
387.20065	0.8
388.20285	3.6
448.15359	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.5
57.03442	4.1
59.01380	100.0
60.01708	2.5
61.01784	1.6
61.22650	1.4
61.98829	27.3
62.26571	1.2
62.34262	1.2
68.48662	1.3
69.03427	2.3
71.01385	37.0
72.99301	6.0
73.02944	3.0
82.89911	1.4
83.01400	1.7
85.02975	7.0
87.00869	3.0
89.02448	45.3
90.02775	2.0
95.01392	1.8
95.05073	1.5
96.05408	1.7
101.02444	21.8
107.05001	1.3
108.05393	1.4
113.02459	12.9
119.02737	2.7
119.03497	21.7
123.08128	1.5
124.01664	1.5
125.02451	1.4
131.03506	2.6
133.02954	3.1
139.04024	1.3
141.25601	1.2
143.03503	4.3
149.04568	1.9
151.03975	2.2
154.01469	35.6
155.04631	1.4
161.02483	11.6
161.04562	10.8
167.10724	1.7
179.05627	10.3
191.05661	2.6
215.04660	1.5
221.08241	2.6
222.08574	2.8
222.43347	1.3
240.09650	1.9
243.15953	5.5
285.03763	4.2
286.04294	4.2
385.11337	11.0
388.20505	1.7
405.21280	75.5
406.21680	8.1
408.17731	1.4
448.14554	34.0
449.19919	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	448.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01706	6.5
61.98826	9.6
69.43232	21.8
69.43566	7.4
71.01382	28.5
85.02982	8.1
89.02447	46.3
101.02443	21.7
113.02459	15.2
119.03513	16.0
149.09746	9.6
161.04478	12.9
167.10783	23.2
179.05655	14.1
191.05734	6.7
225.14955	7.0
336.60266	6.5
405.21356	37.5
448.15433	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	448.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.8
61.40202	1.1
61.98829	100.0
65.17892	0.9
68.86639	1.0
69.24274	2.8
69.24662	1.8
78.95908	14.2
81.30784	0.9
85.75926	1.0
96.96927	1.8
98.21790	1.2
107.01394	1.0
108.01699	1.1
116.92868	1.5
118.22620	0.9
133.02957	1.6
133.42253	1.0
151.00372	3.8
152.99594	25.9
176.04265	1.1
184.29672	0.9
220.34718	0.8
230.99092	1.1
256.03662	1.5
257.03882	1.0
284.03253	10.8
285.03772	37.5
286.04355	39.2
287.04471	2.2
448.03317	1.7
448.09592	36.8
449.09677	3.4
449.22992	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	448.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52257	1.4
59.01375	9.8
60.01720	1.2
61.98829	100.0
71.17529	1.1
78.95913	11.4
96.96989	1.8
99.92565	1.9
113.16964	1.1
116.92857	2.4
116.97296	1.8
133.02954	2.0
151.00410	2.7
152.02412	1.3
152.99605	18.6
162.83885	2.5
256.03525	2.7
257.04236	1.7
284.03253	15.9
285.03778	46.3
286.04376	53.4
287.04462	2.4
367.16220	1.4
376.58908	1.3
448.09628	56.0
449.10025	2.8
449.23117	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	449.1084
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
56.85676	0.5
57.13675	0.5
65.00319	9.1
66.10475	0.5
69.28901	2.1
81.03468	0.5
83.01388	4.1
90.61899	0.5
98.21848	1.2
107.01379	17.7
109.02974	2.9
111.11806	0.5
117.16897	0.5
125.02469	4.4
131.01387	1.2
134.03717	1.0
135.04520	84.4
136.04828	3.9
137.02507	0.7
149.02374	1.0
151.00362	100.0
152.00681	3.5
161.02489	1.2
164.01198	0.6
165.01859	1.3
169.01456	0.8
175.00354	7.3
177.01900	1.0
193.01392	2.2
193.86674	0.5
205.01289	0.7
232.45271	0.5
284.03757	0.7
285.03754	2.8
286.03961	2.8
287.05591	75.2
288.06012	4.9
442.96576	0.6
449.10120	4.9
450.10425	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1093
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
51.41480	0.3
57.03459	0.7
58.26453	0.4
59.01377	3.1
60.99286	0.4
61.98814	0.4
63.02398	1.3
63.66756	0.4
65.00327	8.7
69.28592	0.8
69.28998	1.4
71.01385	1.1
74.43328	0.4
81.03492	0.5
83.01394	4.0
85.02953	1.0
87.00888	0.9
89.02466	0.6
93.03461	5.4
96.08222	0.6
98.97449	0.4
101.02467	1.0
107.01395	16.7
107.79533	0.4
108.02215	0.6
109.02967	1.5
111.04516	0.5
113.02438	0.5
120.08241	0.6
120.63071	0.4
123.04473	0.6
124.07680	6.6
124.08519	0.6
125.02449	5.4
127.04101	0.5
133.02945	0.5
134.03793	1.9
135.04527	65.0
136.01646	0.9
136.04842	2.1
151.00372	100.0
152.00682	3.0
161.02444	1.2
164.01184	1.1
165.01915	0.4
167.03462	0.5
169.01407	0.9
173.04552	4.2
177.01982	0.6
187.07593	0.5
191.05624	4.7
201.18089	0.4
231.10257	0.7
239.03391	0.5
243.15041	1.1
257.08286	0.8
269.04553	0.7
269.13901	0.5
275.09210	1.7
281.04532	0.4
284.03326	0.5
285.03909	2.4
286.04242	2.8
287.05609	63.2
287.13953	8.9
288.05927	4.7
297.09869	0.9
301.15625	0.6
304.06296	0.5
329.15198	0.8
389.21973	0.7
398.27625	0.5
418.90250	0.4
427.14716	0.5
449.10623	26.9
450.10971	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	449.143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68323	3.9
58.35621	3.9
59.01378	99.2
61.98824	11.0
69.76965	3.4
71.01372	27.6
71.43526	3.2
72.51151	3.5
73.02928	7.1
75.00873	6.7
85.02940	8.9
87.00861	8.1
89.02433	30.8
93.03427	4.1
96.96007	35.7
97.17039	3.4
99.00872	12.3
101.02413	18.8
108.02155	6.4
111.00784	4.2
113.02444	9.6
119.03484	4.1
125.02412	5.8
125.03420	3.9
131.03558	5.9
133.02931	13.1
135.04507	7.3
149.04515	5.2
152.01143	8.2
161.04564	6.5
165.05521	7.9
172.05850	3.8
173.04564	5.8
177.02019	4.5
179.05586	4.4
179.07137	5.1
191.05553	7.7
217.49995	4.3
227.09279	13.7
232.00571	3.6
250.24879	4.3
264.13177	4.2
281.12521	8.8
286.81665	4.4
350.89456	4.3
351.07199	5.2
388.99643	11.5
413.16629	100.0
414.16962	8.5
449.14352	91.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20741	0.3
57.03484	0.3
59.01379	3.6
61.98829	0.6
65.91194	0.3
67.01877	0.8
71.01362	1.3
73.02921	0.4
81.03473	0.5
83.05003	0.5
85.02946	9.9
87.00883	2.1
93.03454	4.4
95.01403	0.3
99.00863	0.4
99.04510	0.6
101.02457	0.9
107.01392	0.4
109.02945	1.1
111.04514	1.5
125.02420	0.5
127.04013	2.1
132.34573	0.3
133.02985	0.4
135.04544	1.9
137.02443	0.3
151.00354	2.5
161.02492	0.6
171.03004	0.5
172.05283	1.9
173.04572	2.7
187.07635	10.3
188.08038	0.5
189.33249	0.4
191.05605	100.0
192.05942	2.8
199.04002	1.4
200.04782	0.7
209.11830	0.4
213.09213	1.0
215.07040	2.2
227.03497	1.6
228.04214	1.4
229.08624	0.7
231.10289	1.0
257.08191	14.0
258.08545	0.9
264.87238	0.4
269.13788	0.8
275.09167	1.5
284.03226	0.7
285.03900	1.4
286.04016	1.7
287.04974	2.6
449.09610	2.1
449.14630	6.3
449.20459	0.3
450.14957	0.6
469.17706	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61006	0.6
52.01574	0.6
57.03453	2.5
59.01379	100.0
60.57773	0.8
71.01384	20.0
71.01773	1.2
72.99323	0.8
73.02948	0.8
83.01410	0.8
85.02951	3.1
87.68576	0.7
89.02449	15.0
90.64243	0.7
95.01405	1.4
97.06563	0.8
98.21768	1.6
99.04517	11.7
101.02448	7.2
109.06600	1.0
113.02452	6.0
119.03526	4.2
119.17764	0.6
125.28142	0.6
133.26888	0.6
135.04539	2.0
151.00378	2.6
165.12830	6.1
168.06757	0.6
179.05554	1.4
184.04739	0.7
189.12857	1.3
191.05559	1.6
207.13896	9.6
209.11823	31.7
210.12149	1.8
225.14973	8.1
251.12848	5.6
269.13940	82.5
270.14337	5.5
276.09164	0.7
285.03799	1.7
286.04117	1.6
287.05109	2.1
301.58450	0.7
388.40558	0.7
427.38843	0.7
449.20258	51.9
450.20676	5.0
460.60004	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.7
61.98827	3.7
62.96410	0.4
63.54823	0.4
69.08944	2.4
71.01391	0.4
78.95903	50.4
95.96373	0.4
96.96951	5.6
98.22636	0.6
101.02449	0.4
103.01541	0.5
116.92876	2.2
116.97252	1.3
123.72148	0.4
135.04501	1.0
150.98030	1.5
151.00362	0.7
152.99586	100.0
153.99977	0.9
156.89476	0.7
158.40500	0.4
171.00650	3.9
195.87572	0.4
227.08894	0.4
230.88428	0.4
284.03137	0.6
285.03854	1.7
286.04013	2.0
287.04370	2.0
295.22543	0.5
367.16171	1.1
449.09995	3.5
449.16687	0.7
449.23105	14.8
450.23221	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.5
60.01719	0.5
60.15976	0.2
60.43487	0.2
61.01793	0.5
61.98830	100.0
62.84892	0.2
63.37919	0.2
69.21355	0.4
69.21741	0.7
70.03761	0.2
71.01377	2.2
73.02963	0.6
85.02955	0.8
87.00891	0.4
89.02445	3.4
90.02795	0.4
91.02869	0.3
95.01426	0.3
99.00889	0.5
101.02441	1.9
102.02763	0.2
111.04470	0.2
113.02451	0.7
114.02807	0.3
119.03495	0.5
149.04573	0.7
155.03528	0.6
156.03868	0.3
161.02428	0.3
161.04593	0.6
168.30737	0.2
179.05666	0.5
181.40565	0.2
191.05576	1.3
192.06039	0.5
270.14438	0.3
270.17221	0.4
293.90311	0.3
333.24487	0.3
384.85977	0.2
389.21924	0.4
390.22357	0.8
415.16452	0.8
450.20538	0.3
451.13724	0.5
451.21948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36687	0.3
59.01379	11.2
60.01721	0.9
61.01788	0.9
61.98829	100.0
69.41736	1.4
71.01380	4.5
71.35785	0.3
73.02953	1.4
83.01423	0.4
85.02962	1.4
87.00852	0.5
89.02441	2.7
98.21938	0.7
99.00886	0.4
101.02442	3.4
104.69409	0.4
113.02471	1.5
118.64667	0.4
119.03515	0.7
119.99005	0.4
123.04522	0.4
145.29010	0.3
161.02460	0.4
161.04591	1.2
164.03398	0.3
179.05635	0.6
191.05644	1.5
192.06030	0.6
192.76537	0.3
302.39474	0.3
319.17737	2.1
389.21915	0.5
390.22433	0.7
416.79697	0.4
451.21780	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	450.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63441	0.3
55.35920	0.3
59.01381	12.5
60.01715	1.1
61.98830	100.0
62.88113	0.3
68.58085	0.3
69.03445	0.5
71.01389	4.1
72.99331	0.4
73.02955	1.0
83.01395	0.3
85.02964	1.5
89.02444	4.4
93.03475	0.7
95.01398	0.4
99.00900	0.3
101.02453	3.3
102.02787	0.4
108.02180	7.1
109.02953	8.8
109.03690	0.6
113.02459	1.9
118.98163	0.3
119.03517	1.2
120.99702	0.3
123.04561	0.5
125.02487	0.6
127.04044	0.3
131.03456	0.4
143.03531	0.3
149.04578	1.2
152.01161	8.4
152.02357	0.6
153.01942	10.0
155.03513	0.5
161.04546	0.7
163.03969	0.4
163.11365	0.3
163.97197	0.4
172.03761	0.3
172.05310	0.3
173.04579	0.4
179.05693	0.8
185.12204	0.4
188.08060	0.3
191.05583	2.1
192.06013	0.8
194.05727	0.4
195.03079	0.5
227.09267	0.6
228.09656	0.8
266.55560	0.3
276.09683	0.5
288.08835	0.7
297.06116	2.0
315.07285	1.6
352.39316	0.3
387.16580	4.5
395.76746	0.3
407.09732	2.8
450.14484	0.4
451.08823	18.5
451.22214	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91423	0.4
59.01380	22.8
60.01719	1.5
61.01804	1.1
61.98830	100.0
62.98547	0.5
65.43944	0.3
69.03452	1.4
71.01385	4.9
82.95428	0.7
83.01358	0.4
84.95123	0.7
85.02965	1.3
87.00873	0.4
89.02441	6.1
101.02451	4.5
102.02851	0.4
103.28619	0.4
109.02996	0.4
113.02479	1.9
114.02831	0.7
119.03503	2.5
127.04049	0.5
131.03545	0.5
137.22545	0.4
143.03506	0.4
153.01974	0.4
161.04532	0.6
179.05644	1.6
191.05624	0.9
227.09229	0.4
228.09605	0.7
244.11909	0.3
329.12613	0.7
331.13892	0.5
341.12708	0.5
355.14429	0.5
361.15369	0.5
371.13580	1.0
373.15161	1.5
391.16272	0.7
450.23868	0.4
451.08942	0.6
451.22165	0.4
465.74127	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01307	0.3
59.01380	21.7
60.01720	1.3
61.01805	1.0
61.98830	100.0
69.03458	1.5
71.01386	4.1
71.62971	0.3
73.02938	0.6
81.79887	0.3
82.95387	0.3
85.02972	1.4
85.15391	0.3
89.02450	5.4
95.01401	0.4
98.21770	0.7
101.02444	4.0
102.02798	0.7
113.02442	2.0
119.03508	3.1
119.10507	0.3
127.04000	0.5
143.03540	0.7
149.04572	0.5
155.36143	0.3
161.04593	0.8
161.06010	0.3
179.05632	1.7
194.34334	0.3
211.96919	0.4
227.09203	0.4
228.09679	1.1
329.12445	0.4
340.06219	0.3
355.14255	0.6
361.15082	0.7
371.13467	0.8
373.15201	1.4
386.04190	0.4
390.22018	0.4
391.16080	0.6
451.21835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91423	0.4
59.01380	22.8
60.01719	1.5
61.01804	1.1
61.98830	100.0
62.98547	0.5
65.43944	0.3
69.03452	1.4
71.01385	4.9
82.95428	0.7
83.01358	0.4
84.95123	0.7
85.02965	1.3
87.00873	0.4
89.02441	6.1
101.02451	4.5
102.02851	0.4
103.28619	0.4
109.02996	0.4
113.02479	1.9
114.02831	0.7
119.03503	2.5
127.04049	0.5
131.03545	0.5
137.22545	0.4
143.03506	0.4
153.01974	0.4
161.04532	0.6
179.05644	1.6
191.05624	0.9
227.09229	0.4
228.09605	0.7
244.11909	0.3
329.12613	0.7
331.13892	0.5
341.12708	0.5
355.14429	0.5
361.15369	0.5
371.13580	1.0
373.15161	1.5
391.16272	0.7
450.23868	0.4
451.08942	0.6
451.22165	0.4
465.74127	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98531	0.7
55.21729	0.8
56.25450	0.8
59.01365	0.9
61.98830	100.0
71.42256	0.7
76.98515	0.8
85.02979	0.8
85.35253	0.8
115.92094	1.0
116.92829	0.9
160.80901	0.9
181.63951	0.8
194.09778	0.9
255.23236	2.0
383.41586	0.8
417.17899	0.9
421.65442	0.8
451.28461	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	451.0539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	13.7
59.37428	0.2
69.54362	0.5
71.01371	3.0
79.95740	2.1
85.02945	1.3
87.00903	0.4
87.29715	0.2
89.02439	3.8
93.03467	0.2
96.96008	100.0
97.95963	0.3
98.93909	0.2
98.95564	0.4
99.92561	0.2
100.93364	0.3
101.02435	1.5
113.02433	1.2
115.92076	0.3
116.92863	0.7
119.03468	1.5
125.02415	0.2
132.02022	0.2
133.02927	0.8
134.03716	0.6
135.04517	0.2
137.02469	0.3
142.83069	0.2
142.96614	0.5
143.03534	0.4
149.04547	0.4
160.97723	0.2
161.02393	0.5
161.04555	0.6
165.11028	0.2
178.02689	0.6
178.50766	0.2
179.03462	0.2
179.05618	1.4
179.07054	0.4
184.97647	1.2
191.05608	15.9
192.05948	0.4
197.08182	0.3
202.98801	1.0
210.99179	0.4
216.98093	1.5
234.97176	0.3
234.99146	1.5
242.79680	0.2
248.97253	0.3
253.08842	0.3
258.99313	0.3
260.97046	0.8
277.00302	0.3
278.95987	0.5
289.02408	2.4
304.99951	0.2
306.07385	0.4
353.08743	3.1
375.13120	0.2
391.03751	0.6
409.04514	0.6
451.05591	4.5
452.06235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	13.7
59.37428	0.2
69.54362	0.5
71.01371	3.0
79.95740	2.1
85.02945	1.3
87.00903	0.4
87.29715	0.2
89.02439	3.8
93.03467	0.2
96.96008	100.0
97.95963	0.3
98.93909	0.2
98.95564	0.4
99.92561	0.2
100.93364	0.3
101.02435	1.5
113.02433	1.2
115.92076	0.3
116.92863	0.7
119.03468	1.5
125.02415	0.2
132.02022	0.2
133.02927	0.8
134.03716	0.6
135.04517	0.2
137.02469	0.3
142.83069	0.2
142.96614	0.5
143.03534	0.4
149.04547	0.4
160.97723	0.2
161.02393	0.5
161.04555	0.6
165.11028	0.2
178.02689	0.6
178.50766	0.2
179.03462	0.2
179.05618	1.4
179.07054	0.4
184.97647	1.2
191.05608	15.9
192.05948	0.4
197.08182	0.3
202.98801	1.0
210.99179	0.4
216.98093	1.5
234.97176	0.3
234.99146	1.5
242.79680	0.2
248.97253	0.3
253.08842	0.3
258.99313	0.3
260.97046	0.8
277.00302	0.3
278.95987	0.5
289.02408	2.4
304.99951	0.2
306.07385	0.4
353.08743	3.1
375.13120	0.2
391.03751	0.6
409.04514	0.6
451.05591	4.5
452.06235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
68.17823	0.6
69.03448	1.1
69.15187	3.5
73.37663	0.7
75.76559	0.6
79.81625	0.7
81.03451	1.0
85.02946	1.0
89.03052	0.6
93.03456	31.7
94.03765	0.7
95.01371	1.2
97.02972	1.6
108.02239	0.8
109.02953	1.2
123.00864	6.3
124.01651	13.0
125.02446	32.6
133.02940	0.7
135.04507	0.8
136.01677	0.7
137.02440	54.9
138.02769	1.5
149.99577	29.4
151.00314	2.1
161.02415	0.9
163.03995	0.7
167.03400	1.4
168.00635	64.7
169.01421	7.2
173.04623	1.0
179.03522	1.3
183.04543	0.8
225.82236	0.6
227.03432	4.4
228.03885	0.7
230.31927	0.6
313.05664	15.4
314.05872	0.9
331.06668	32.0
332.07022	1.6
451.08798	100.0
452.09180	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	451.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
59.01377	31.1
60.79600	0.6
61.98828	39.9
65.00299	0.5
69.03448	1.7
71.01381	17.5
71.45879	0.5
72.99316	0.9
73.02946	4.8
75.00869	1.1
81.03451	1.0
83.01381	2.2
85.02966	5.8
87.00867	1.5
87.19519	0.6
88.23867	0.6
89.02446	14.4
91.01874	0.7
93.03426	0.9
95.01370	1.8
96.99345	0.6
99.00887	2.8
101.02445	11.8
102.02648	0.5
107.01388	2.3
108.02177	39.3
109.02956	49.2
110.03314	0.7
111.00858	0.9
111.58295	0.7
113.02447	6.8
119.03520	3.0
121.02922	1.0
123.00902	1.2
123.04546	1.0
125.02459	1.1
131.03499	2.6
133.02988	0.7
135.00865	2.2
135.04559	1.1
137.02493	0.9
143.03513	1.6
149.04565	4.9
151.03981	1.3
152.01152	45.4
153.01938	58.7
154.02225	1.6
155.03517	1.3
161.02544	1.2
161.04570	2.7
163.03990	1.7
177.01942	0.6
179.03473	0.8
179.05627	1.5
191.05560	3.0
195.02963	2.0
207.02946	0.6
225.04010	1.1
237.03969	1.0
281.06812	0.8
297.06177	12.0
298.06482	0.8
315.07220	11.4
316.07690	0.7
319.17603	2.8
388.16956	0.9
391.23294	1.5
407.04645	1.2
407.09802	12.6
407.15182	0.7
408.10208	1.1
433.07666	1.4
451.08792	100.0
451.21487	9.0
452.09186	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	451.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
59.01378	10.3
61.98828	6.7
68.01409	0.5
69.03454	2.9
69.08397	2.9
71.01380	9.3
72.99293	0.6
73.02951	4.2
75.00872	1.5
79.01869	0.7
81.03458	0.9
82.67730	0.5
83.01392	2.9
85.02965	4.7
87.00878	1.2
89.02429	5.0
93.03454	8.0
95.01381	1.5
97.02932	3.2
98.22600	1.4
98.53976	0.6
99.00875	1.4
101.02444	8.9
102.48257	0.5
106.70214	0.5
107.01388	1.6
108.02200	3.0
109.02972	3.1
113.02425	4.1
118.98041	0.6
119.03465	0.9
121.02932	1.4
123.00893	6.7
124.01662	19.5
125.02453	35.3
126.02776	1.0
131.76648	0.6
133.02942	1.8
135.04518	2.1
136.01610	0.7
136.63510	0.6
137.01431	1.0
137.02444	17.6
138.03160	0.7
149.02383	0.6
149.04568	1.2
149.99585	31.0
151.00220	1.6
155.03444	0.6
161.02451	4.8
161.04512	2.7
167.03497	1.0
168.00638	55.9
169.01418	5.3
179.03462	1.7
181.01332	1.0
183.03011	0.8
191.03693	0.6
191.05565	3.1
192.05916	1.0
192.11462	0.5
193.06038	0.7
197.04617	1.0
239.05606	0.5
281.06720	3.6
287.08017	0.7
313.05743	2.7
319.17599	6.7
320.17676	0.6
331.06665	8.6
341.08762	2.4
373.14893	0.9
391.16022	1.1
413.14487	1.5
433.07596	2.0
451.08707	100.0
451.21799	11.0
452.09113	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	451.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.2
56.23579	0.9
59.01382	100.0
61.98827	2.5
69.03449	1.3
69.32130	4.4
71.01382	26.9
72.99316	1.0
73.02950	6.1
75.00889	0.9
77.32327	0.9
82.30836	0.9
83.01366	2.1
85.02966	5.8
87.00873	2.1
88.98791	5.2
89.02448	33.2
89.93740	1.0
95.01376	1.7
96.95432	1.4
96.96011	11.9
97.02950	1.1
98.22661	1.7
99.00856	3.1
101.02440	20.7
110.51951	0.9
113.02449	11.1
116.92826	1.5
117.01853	1.1
119.03497	9.5
125.02415	2.1
128.38023	1.0
131.03516	2.5
133.02971	1.5
134.03670	1.4
135.11482	1.0
143.03482	3.2
149.04536	3.1
159.03003	1.1
161.04581	9.4
178.02693	1.3
179.05649	12.4
179.07118	2.3
184.97655	1.5
191.05656	7.0
199.79132	0.9
202.98721	1.2
216.96133	1.0
216.98257	1.6
233.06674	1.4
234.99228	1.6
259.08261	9.5
261.46295	1.1
289.02393	3.2
331.13739	1.3
353.08524	1.0
391.03961	1.6
391.12375	28.3
392.12650	1.4
451.05237	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	451.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	35.2
69.16523	6.4
71.01381	11.7
84.93878	5.5
93.56145	0.9
98.95436	1.2
99.92580	34.5
100.93362	57.7
101.93382	1.3
115.92080	96.6
116.92134	5.2
116.92857	100.0
117.92848	2.4
126.94963	2.3
127.60574	0.9
136.05388	1.4
144.96101	1.2
154.94426	7.1
161.48940	1.1
164.05611	1.1
170.95961	0.9
172.95473	82.8
173.95517	2.6
182.23549	1.0
231.31432	0.9
255.23244	4.8
277.21780	2.5
341.18417	1.2
377.14340	2.6
391.01166	1.2
403.15503	1.1
423.54248	1.1
433.16751	3.9
451.18436	12.1
451.28632	25.9
452.18311	2.0
452.28918	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	451.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65377	0.6
59.01377	100.0
60.01721	0.7
61.98829	2.1
62.20696	0.6
64.76295	0.7
66.41625	0.6
68.99809	1.0
69.03435	0.6
70.00739	0.6
71.01376	19.5
71.42091	0.6
73.02943	1.6
81.09147	0.6
82.95443	1.0
85.02962	3.1
87.00887	1.1
88.98808	0.9
89.02442	25.2
95.01394	2.5
96.95998	0.9
97.02946	1.0
99.00919	0.9
99.91056	0.7
101.02429	13.4
107.54185	0.7
113.02468	6.8
119.03498	10.1
122.89861	0.7
131.03481	1.6
141.05597	2.6
143.03516	1.6
149.04553	1.2
155.03497	3.1
161.04584	2.7
179.05580	8.6
179.06958	0.9
191.05545	0.7
226.41806	0.7
243.08707	6.1
331.13925	6.8
359.13309	3.8
391.16071	18.0
392.16599	1.1
451.18149	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98824	2.7
69.03426	1.0
69.08714	4.4
71.01382	22.7
85.02960	4.7
89.02448	35.1
96.98386	1.0
101.02426	11.3
105.73048	0.8
113.02447	10.7
119.03510	15.7
131.03473	1.7
143.03511	3.1
144.10881	1.0
149.09682	1.7
161.04585	4.7
161.05661	0.9
167.10724	3.6
175.81073	0.9
179.05582	17.0
179.07106	1.6
209.81857	0.9
225.14940	2.2
243.15886	1.1
340.77606	0.9
405.21317	8.3
451.21866	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	451.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01721	0.6
61.98827	2.5
65.60194	0.5
69.03449	0.7
69.41870	1.0
69.42257	1.5
71.01376	21.2
73.02946	1.6
80.07209	0.5
85.02947	4.4
87.00853	1.4
88.98803	6.1
89.02444	38.7
95.01414	1.4
96.96008	29.8
97.78646	0.7
99.92587	1.9
100.93374	2.0
101.02438	10.8
113.02448	9.7
115.92090	2.1
116.92849	4.2
119.03495	12.6
131.03511	1.3
133.02913	4.6
134.03737	2.6
135.04529	1.2
135.08174	1.4
137.02415	0.8
139.19481	0.5
142.96655	1.1
143.03493	2.8
149.04562	2.9
161.02478	1.0
161.04584	4.1
176.04016	1.2
177.01927	1.7
178.02695	2.9
178.49869	0.5
179.05611	13.0
179.07108	1.3
184.97701	3.2
191.05603	13.0
197.08263	0.8
202.98764	1.8
208.95525	0.7
211.09833	0.7
215.95222	0.9
216.96051	0.9
216.98279	2.7
231.97032	0.7
232.95670	0.8
234.97147	1.0
234.99095	3.0
243.08752	0.7
244.97585	0.6
259.08163	1.4
260.97107	1.0
262.96436	0.7
278.96036	1.7
289.02399	5.7
306.07422	3.0
313.00397	0.6
332.14508	0.6
353.08826	2.1
391.03662	2.5
391.12146	1.2
405.21420	0.8
407.00800	1.1
409.04568	1.6
451.05481	11.0
452.05997	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29903	1.1
53.33634	1.0
59.01380	100.0
61.98831	59.7
67.86697	1.0
69.03462	12.9
71.01381	30.5
73.02933	1.6
84.95125	1.9
85.02927	5.2
87.00902	1.7
89.02445	44.8
89.03004	2.3
95.01405	2.3
95.05040	1.5
98.21854	3.3
101.00673	1.2
101.02444	21.1
113.02448	13.9
119.03502	21.7
131.03479	1.8
134.15076	1.1
143.03474	3.3
148.96588	1.0
149.04507	2.4
153.01912	3.4
156.63060	1.4
161.04567	3.7
175.07549	1.3
179.05594	11.0
191.05638	1.3
191.07092	1.5
224.09073	1.0
229.09131	1.1
272.60226	1.2
289.03476	1.1
290.51099	1.1
329.12454	6.9
331.13895	2.1
332.91367	1.3
341.12433	4.2
351.01215	1.1
355.13910	4.3
359.13632	2.9
361.15103	7.3
371.13528	4.4
373.14990	9.6
389.18402	5.1
391.16010	5.2
398.77209	1.2
407.03799	1.2
451.08661	3.7
451.15546	1.3
451.21805	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	451.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	26.9
61.98802	10.9
67.01875	7.4
69.80997	7.2
70.26914	17.6
71.01373	12.3
80.91692	7.6
85.02941	7.5
87.00837	7.4
93.03475	59.1
94.03834	10.2
101.02454	12.8
111.00850	8.3
111.04535	7.9
124.01701	7.4
125.02438	14.5
131.31952	7.3
133.02945	25.6
135.04581	34.0
137.02448	35.1
149.99585	16.4
151.00377	7.4
152.61244	6.7
161.02448	100.0
163.04013	7.4
168.00610	26.4
172.36534	6.8
173.04533	74.1
174.04852	8.9
177.05443	9.7
179.03470	28.1
191.05585	30.7
225.15077	13.9
251.05241	6.9
267.31003	7.2
331.06842	9.1
370.12561	13.3
451.08771	47.7
451.14508	13.5
451.21039	20.0
463.73242	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	451.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	26.9
61.98802	10.9
67.01875	7.4
69.80997	7.2
70.26914	17.6
71.01373	12.3
80.91692	7.6
85.02941	7.5
87.00837	7.4
93.03475	59.1
94.03834	10.2
101.02454	12.8
111.00850	8.3
111.04535	7.9
124.01701	7.4
125.02438	14.5
131.31952	7.3
133.02945	25.6
135.04581	34.0
137.02448	35.1
149.99585	16.4
151.00377	7.4
152.61244	6.7
161.02448	100.0
163.04013	7.4
168.00610	26.4
172.36534	6.8
173.04533	74.1
174.04852	8.9
177.05443	9.7
179.03470	28.1
191.05585	30.7
225.15077	13.9
251.05241	6.9
267.31003	7.2
331.06842	9.1
370.12561	13.3
451.08771	47.7
451.14508	13.5
451.21039	20.0
463.73242	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	451.2852
Annotation	dihydrocelastrol
Peak:m/z	Relative Intensity
59.01373	3.7
61.98813	1.2
69.31514	3.8
69.31918	2.6
73.88340	1.3
85.41362	1.3
87.41185	1.2
88.01614	1.2
96.95994	1.7
118.40173	1.1
123.34279	1.2
150.06836	1.2
161.33833	1.2
182.23051	1.3
201.09241	11.0
255.23303	2.9
261.01935	1.2
263.91608	1.5
332.00186	1.2
335.20016	1.5
377.24786	5.6
391.26358	5.1
405.27872	3.6
407.17624	1.7
407.29538	3.4
451.28525	100.0
452.28845	11.7
472.12103	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	451.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80672	3.0
59.01379	58.9
61.98822	3.5
64.62751	3.2
70.01038	8.9
73.99955	3.2
74.58988	2.7
79.31913	2.9
81.09989	3.1
85.06577	6.2
97.06652	3.2
98.22420	7.2
101.16588	3.3
115.07638	21.0
140.65550	3.4
211.16216	3.4
308.03705	3.3
397.33047	4.0
415.34274	100.0
416.34421	4.5
434.12982	4.3
451.32147	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.1
60.01707	1.5
61.01804	1.6
61.98828	100.0
67.01876	0.6
68.99831	0.8
69.19119	2.2
71.01385	1.1
71.47508	0.3
73.02946	0.6
85.02968	0.4
89.02457	1.2
98.22736	0.5
101.02435	3.9
102.02761	0.7
103.02912	0.7
119.03544	0.4
127.03987	2.2
128.04401	1.2
129.04535	0.7
132.72713	0.3
135.76843	0.3
153.92036	0.3
157.25648	0.4
161.02440	0.4
163.06107	0.5
227.09332	1.9
228.09590	3.6
229.09735	2.1
230.10135	1.4
393.17493	0.8
452.18564	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	19.4
60.01716	1.4
61.01810	0.4
61.70950	0.4
61.98829	100.0
62.63848	0.4
67.67842	0.4
69.03449	0.6
69.10620	0.7
69.11018	1.7
71.01383	8.3
72.01722	0.8
72.99294	0.4
73.02930	3.9
80.48982	0.4
83.01369	0.9
85.02950	3.1
87.00883	0.8
89.02441	6.6
90.02792	0.7
95.01389	0.7
99.00882	0.9
101.02437	6.6
102.02757	0.9
113.02444	3.1
119.03490	2.1
120.23478	0.4
135.04514	0.4
143.03511	0.4
157.05061	0.5
161.02449	0.8
161.04573	1.2
179.03589	0.5
179.05609	1.2
180.04277	0.4
185.13206	0.3
191.05650	0.8
201.55736	0.3
239.91006	0.4
249.06097	0.4
261.13345	0.4
263.02661	0.3
273.97174	0.4
285.09256	0.4
289.20090	2.0
290.20639	1.4
355.08777	0.4
373.97116	0.4
392.23471	0.6
393.17505	1.8
407.76202	0.4
451.25433	6.7
452.08917	0.5
452.26038	9.5
453.19080	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	2.9
67.80489	0.7
69.14024	2.3
69.14424	3.1
70.76983	0.8
75.10430	0.9
78.95905	100.0
84.58562	1.0
96.95978	0.8
96.96972	7.8
98.21854	1.5
106.89888	0.7
111.49170	0.8
111.92097	0.8
152.99580	17.2
171.00647	22.2
255.23230	3.4
327.26364	0.9
378.24133	2.2
435.34833	0.9
452.27789	56.0
453.28415	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	452.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	1.9
62.96391	0.6
69.67673	1.6
78.95905	38.0
96.96953	1.7
103.86855	0.5
103.90467	0.5
122.00130	1.1
140.01201	5.1
152.99605	4.4
158.84715	0.9
160.84239	0.9
171.00623	4.1
181.25742	0.5
196.03801	11.1
214.04826	1.6
214.18964	0.5
255.23289	100.0
256.23660	5.9
430.59464	0.6
452.27820	44.1
453.28320	3.5
453.33633	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00573	2.0
59.01378	100.0
61.98830	17.0
70.17532	2.5
70.17887	2.9
71.01378	49.0
73.02937	9.6
78.95911	2.0
82.43051	1.4
83.01359	3.0
85.02940	10.4
87.00861	5.3
89.02446	70.5
93.03455	1.5
93.84810	1.2
95.01373	2.3
97.02914	1.6
99.00871	3.2
100.53166	1.6
101.02444	33.1
103.08418	1.3
113.02449	12.6
119.03508	9.8
123.04472	7.5
125.02429	3.1
128.81190	1.3
131.03502	25.8
132.96028	1.5
137.02425	5.0
149.04547	38.8
150.04865	1.6
152.99596	2.3
161.02426	2.6
161.04533	2.7
163.11292	2.0
165.01906	15.3
179.03468	6.6
179.05638	3.5
180.04303	9.2
181.12354	1.6
191.05577	18.6
195.06609	10.3
225.07700	9.1
227.09254	3.5
233.06546	2.5
245.04297	3.5
261.13412	7.6
275.47235	1.5
275.96561	1.5
293.08707	2.1
393.17654	76.6
394.17847	5.6
405.15390	5.8
415.15976	3.3
453.14117	3.3
453.19772	10.9
454.13440	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	453.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.6
57.03452	1.3
58.00610	1.1
59.01378	22.4
61.98821	1.8
69.26358	4.7
71.01381	27.3
72.01688	1.0
73.02947	15.3
75.00890	0.9
83.01372	4.8
85.02944	13.8
87.00880	1.8
89.02450	6.8
94.97208	1.8
94.98111	2.3
95.01382	2.2
97.02959	2.3
99.00908	4.9
101.02446	26.7
111.00837	1.6
113.02454	14.9
131.03484	0.9
143.03453	2.2
146.64931	1.1
149.04501	2.1
159.02948	2.8
161.04546	12.7
169.76563	1.0
191.05606	2.1
233.06708	1.3
257.97162	1.1
261.13394	26.9
262.13892	1.7
274.07443	0.9
281.86172	1.0
306.55600	1.1
393.17661	100.0
394.18048	8.0
438.32315	1.1
452.57211	1.1
453.19415	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	453.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39159	0.6
55.01874	5.5
57.03452	3.6
58.00563	0.6
59.01377	40.6
68.99789	0.6
69.03440	1.7
69.43827	1.4
69.44222	1.0
71.01379	44.4
72.99258	0.7
73.02941	23.9
73.92570	0.6
75.00838	1.6
82.03301	0.6
83.01385	9.0
85.02948	23.2
86.00085	1.2
86.29856	0.6
87.00868	2.8
89.01923	1.2
89.02446	15.4
93.07790	0.6
95.01405	3.6
97.02937	2.5
99.00876	8.4
99.04568	0.7
101.02440	44.2
111.00853	3.2
113.01694	1.3
113.02452	18.3
114.02761	0.7
115.03995	2.2
119.03500	2.6
125.02444	3.7
129.01923	1.8
131.03528	2.8
131.25540	0.6
143.03487	2.0
149.04539	2.6
159.03004	4.2
159.13885	1.3
161.04549	14.3
191.05595	1.4
207.98340	1.1
208.99146	0.6
229.14433	0.6
233.06650	2.7
234.67015	0.6
261.13419	2.4
289.74393	0.7
293.08731	1.2
321.19144	55.3
322.19437	3.4
393.17593	2.2
453.23380	100.0
454.23721	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	453.2341
Annotation	Tenovin-6
Peak:m/z	Relative Intensity
55.01882	4.5
57.03450	3.4
58.00585	0.8
59.01379	39.3
61.98824	1.2
69.03464	1.0
69.53836	1.2
71.01382	43.8
72.01715	0.5
72.99302	1.0
73.02947	22.5
75.00883	1.2
81.03469	0.8
83.01386	10.0
85.02950	22.4
86.00096	0.9
87.00872	2.6
89.02444	16.0
93.03484	0.6
95.01385	2.8
97.02944	2.8
99.00880	7.7
101.02446	42.5
102.02777	0.4
111.00896	3.0
113.02451	16.0
115.04026	1.6
119.03487	1.3
123.04559	0.4
125.02461	3.7
127.04010	0.4
129.01953	1.5
131.03517	4.7
135.04565	0.4
137.02431	0.4
140.41907	0.3
141.01988	0.5
143.03516	1.8
149.04602	3.1
149.99594	0.4
157.12393	0.5
159.02994	4.2
159.13914	1.2
161.02393	1.3
161.04568	12.3
168.00664	0.6
173.04486	0.4
179.05612	0.5
191.05643	1.0
233.06654	2.5
293.08853	1.2
321.19171	58.6
322.13162	0.4
322.19534	3.3
393.17548	2.3
453.10358	2.1
453.23410	100.0
454.17352	0.4
454.23636	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	453.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21489	26.9
54.73293	29.0
59.01375	31.0
61.98819	76.3
68.90697	32.3
69.84281	100.0
70.41407	31.9
98.22643	46.1
102.70763	34.5
108.59772	30.7
131.59554	31.9
135.04544	69.0
151.00388	61.5
166.27377	27.7
167.03436	52.1
217.00221	35.4
285.04080	87.1
453.16718	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	453.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92361	18.5
57.72842	17.4
59.01377	20.6
61.98825	47.7
62.38904	18.4
64.71903	18.5
65.00332	26.4
69.58941	87.4
71.01387	25.1
74.47417	17.3
109.02938	20.8
125.02470	26.1
133.02831	22.6
135.04521	24.7
151.00378	60.4
151.89378	20.0
164.01221	22.8
167.03487	55.5
175.04128	24.7
209.11832	24.4
213.05807	17.0
222.61293	18.0
239.07211	29.9
245.93001	18.6
285.04181	100.0
286.04868	26.1
355.08118	27.4
453.26047	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.301
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
59.29547	0.2
61.98838	0.5
65.30870	0.2
70.12688	0.3
70.12998	0.5
86.68990	0.2
98.22524	0.3
144.71852	0.3
203.43239	0.3
245.04080	0.3
307.20667	0.4
337.22031	0.2
339.23102	0.4
377.28305	0.5
378.37567	0.2
407.29504	0.4
441.30426	0.3
453.30069	100.0
454.30396	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	453.3373
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
57.64038	0.4
66.07581	0.5
69.37050	1.2
69.37456	0.9
69.44089	0.4
89.35307	0.4
97.06567	0.5
104.33694	0.4
118.27347	0.4
122.93453	0.4
127.41650	0.4
140.59261	0.4
150.21994	0.4
366.11102	0.6
407.22522	0.4
407.33252	0.8
439.79156	0.4
453.33731	100.0
454.34070	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	453.3374
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
51.03353	0.2
55.60135	0.2
56.50314	0.2
56.55058	0.2
61.80151	0.2
70.98071	0.3
71.28838	0.2
71.60078	0.2
110.33988	0.2
111.85371	0.2
112.09525	0.3
117.78359	0.2
124.39286	0.2
145.00916	0.3
181.57950	0.3
299.56796	0.2
453.33725	100.0
454.34094	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	454.12
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.2
60.01680	0.4
61.98830	100.0
69.03453	0.7
71.01376	2.8
72.01701	0.3
72.58798	0.3
73.02951	0.5
77.12006	0.2
78.95904	6.4
85.02953	0.6
86.91924	0.2
87.00887	0.3
88.98796	0.3
89.02441	2.8
96.96030	0.9
96.96941	1.2
97.02969	0.7
99.00871	0.4
99.92589	0.4
101.02428	1.6
101.93446	0.3
113.02477	1.0
119.03500	0.5
123.04527	0.6
131.03502	0.4
135.04556	0.3
137.02475	0.5
138.02762	0.3
149.04535	1.2
161.04532	0.6
161.33171	0.2
174.50021	0.3
191.05624	0.9
218.97299	0.3
219.97603	0.5
262.57880	0.2
262.96484	0.5
263.11426	0.3
263.96756	0.9
289.78781	0.2
343.13812	0.3
344.14435	0.5
392.01675	0.7
393.99689	0.3
394.13327	0.3
395.09488	0.7
395.15027	0.5
409.17242	0.4
411.10629	0.3
435.52213	0.3
455.09717	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	454.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.1
59.12457	0.5
61.98833	100.0
89.02487	0.9
108.55500	0.5
146.90125	0.6
211.13428	0.7
291.39316	0.6
292.39133	0.6
377.39484	0.6
430.13940	0.6
453.33368	0.7
455.26920	1.2
478.75479	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
61.58245	0.3
61.98830	100.0
66.35313	0.3
69.29276	0.9
69.29675	0.7
72.42264	0.3
74.63643	0.3
83.64962	0.3
170.90070	0.3
204.86229	0.4
204.88065	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1194
Annotation	Adicardin
Peak:m/z	Relative Intensity
50.68269	0.5
57.03454	1.0
59.01377	6.8
59.01646	0.5
69.88999	0.8
69.89341	1.0
71.01385	5.9
71.01738	0.6
73.02936	5.7
73.03285	0.4
83.01406	0.6
85.02967	2.3
89.02438	2.0
96.99310	0.8
101.02438	2.5
103.04040	0.5
105.03519	0.6
109.02937	0.5
113.02459	1.2
117.03473	0.9
119.03539	0.6
119.05021	7.3
129.01947	5.1
131.03502	3.4
132.02220	1.1
133.02957	32.0
134.03706	0.9
135.04533	10.8
145.02913	0.6
146.92111	0.4
149.06059	0.6
152.01126	0.4
153.01950	0.6
161.02443	100.0
162.02780	3.4
163.03995	9.6
177.01913	4.8
177.05562	0.7
179.03502	9.2
180.03815	0.6
191.05566	0.9
214.02548	0.4
221.04494	1.1
249.13359	0.5
251.05608	0.6
281.06509	0.7
281.81580	0.4
323.07611	2.4
325.09125	0.8
327.95850	0.4
354.94281	0.4
390.22537	0.4
395.18973	0.8
397.11182	0.8
409.11441	0.5
455.11566	49.6
456.11838	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	455.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60943	0.8
59.01375	4.7
61.98805	2.0
70.43860	1.2
71.01357	2.9
72.64761	0.6
78.95899	9.0
80.02670	2.1
81.03455	1.7
83.05024	9.7
84.02171	2.3
85.02930	1.0
89.02443	2.2
93.03458	0.7
95.05011	1.6
96.96004	2.5
96.96947	0.9
97.17413	0.7
100.45944	0.6
101.02419	1.6
109.02960	0.8
109.06628	0.7
113.02428	1.0
125.06075	1.0
133.02937	2.4
135.04518	3.5
135.08133	1.3
152.99590	10.1
153.01848	0.6
161.02432	6.1
163.11278	6.6
165.12833	4.0
171.00656	1.3
174.07686	0.8
177.10860	0.8
179.03535	2.1
181.12398	0.9
191.05675	0.9
191.10814	1.7
192.35980	0.6
193.05067	0.9
209.11829	100.0
210.12141	4.5
227.03235	1.2
227.12891	18.6
228.13177	1.1
245.04282	2.5
251.05644	0.6
281.06918	0.8
339.34311	0.6
455.16827	65.2
456.17252	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	455.177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33416	2.1
59.01377	58.8
61.67371	2.2
61.98827	2.1
69.36415	4.6
69.36823	6.8
71.01379	54.0
71.05029	3.1
72.70240	1.9
73.02939	22.3
83.01385	3.9
85.02958	11.8
87.00877	2.2
89.02444	61.2
92.91018	1.8
95.01398	3.1
97.02954	3.5
99.00894	21.1
101.02446	33.5
101.06076	7.6
113.02454	20.9
115.61272	1.7
117.64034	2.0
118.64035	1.7
119.03497	7.5
125.02444	3.4
131.03499	7.4
149.04529	25.3
161.04585	11.8
191.05649	9.7
210.68958	2.6
233.06673	3.0
246.78448	1.8
251.07744	2.5
263.11292	7.1
293.08853	5.2
389.88443	2.1
395.15570	100.0
396.15811	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	455.265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25732	1.5
58.00611	1.7
59.01375	16.2
61.98824	3.5
69.03461	2.3
69.70323	5.5
71.01382	26.2
73.02956	4.4
80.02694	3.5
81.03427	7.6
83.05026	8.4
93.03400	1.9
95.05003	2.3
97.02945	14.6
97.06606	2.1
99.04501	2.0
107.05036	3.1
109.06593	84.9
110.03742	5.1
110.06928	2.0
111.08179	1.9
121.06569	4.6
125.09715	5.1
133.28520	1.5
135.08144	8.8
136.05330	2.8
142.02736	2.1
155.10838	2.3
161.09688	3.5
163.11276	47.1
165.12817	2.0
171.10284	7.9
179.10811	1.6
181.12328	16.5
183.13896	13.3
185.11813	4.8
199.09772	35.4
207.10255	100.0
208.10506	3.1
209.11873	3.3
211.13393	60.1
212.13791	1.9
225.11311	34.5
226.12250	2.1
227.12880	2.1
243.12259	2.6
277.18161	2.8
305.98361	1.8
322.85028	1.5
409.68872	2.5
455.31049	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	455.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	0.8
69.67000	0.4
69.67363	0.7
160.84157	0.3
162.83908	0.5
185.05925	0.2
255.21878	0.2
377.28424	0.8
379.30087	0.3
389.28082	0.3
407.29367	1.2
408.30225	0.3
455.31653	100.0
456.31970	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	455.3165
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
54.15537	0.2
69.90198	0.7
71.37064	0.2
72.60355	0.2
98.21837	0.3
117.52625	0.2
133.82964	0.2
160.84210	1.1
162.83919	2.2
176.09482	0.2
219.92348	0.2
349.00668	0.3
350.01053	0.3
351.00272	0.5
377.28262	0.2
388.72369	0.3
407.29718	0.4
416.49789	0.2
455.31659	100.0
456.32022	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	455.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31231	0.5
52.39658	0.5
55.64344	0.4
58.86338	0.4
59.01371	1.5
70.44387	0.7
71.01379	2.1
71.05019	2.2
74.22736	0.5
78.26515	0.5
82.25881	0.4
83.05014	0.9
85.02448	0.4
97.03021	0.9
107.05016	0.4
109.06594	6.0
121.17264	0.5
135.08144	0.7
162.83913	1.8
162.87463	0.5
163.11281	3.1
171.10225	0.7
172.70386	0.5
181.12352	1.1
183.13889	0.8
199.09750	0.9
207.10286	5.6
211.13374	3.4
225.11287	2.8
227.20128	0.9
277.18143	2.9
295.19058	1.0
337.25327	0.5
369.22763	2.1
391.30075	1.1
395.29538	1.6
411.32489	0.8
420.07501	0.7
425.30502	1.1
435.28836	0.9
437.30545	14.3
438.30978	1.9
455.31635	100.0
456.31982	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	455.353
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
53.65445	0.2
59.21948	0.2
65.36819	0.2
69.48433	1.0
86.85558	0.2
98.21889	0.2
107.55521	0.2
127.80013	0.2
145.95134	0.2
194.65413	0.2
196.38875	0.2
202.29689	0.2
205.31366	0.2
242.28841	0.2
307.82114	0.2
318.23520	0.2
407.33063	1.2
455.35300	100.0
456.35596	12.0
466.65836	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
63.21017	0.2
70.99992	0.4
84.86555	0.2
100.16041	0.2
230.13361	0.2
410.71423	0.3
455.35278	100.0
456.35678	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	455.353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64498	0.2
91.77694	0.2
98.22680	0.6
108.59347	0.2
110.87709	0.3
120.02732	0.2
121.11729	0.2
161.14140	0.2
262.22690	0.3
328.47150	0.3
407.33484	0.4
455.35306	100.0
456.35678	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	456.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11067	0.2
59.01380	2.8
61.98828	100.0
65.56723	0.3
69.10332	1.1
69.10735	0.8
71.01391	1.5
71.04639	0.3
84.30571	0.3
89.02451	2.3
98.22596	0.6
101.02452	1.0
119.03481	0.5
133.02966	0.8
134.03291	0.4
135.04544	1.6
145.07245	0.3
149.04552	0.4
149.06071	0.3
161.02451	1.7
177.05548	0.4
179.03583	1.0
191.05635	0.4
209.11818	0.5
210.12288	0.7
212.67719	0.3
221.04500	0.5
259.22211	0.3
281.06824	0.4
295.10349	2.3
396.18552	0.5
456.17224	0.4
457.13202	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	457.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.0
61.98814	0.7
62.69278	0.5
68.99783	0.8
69.03446	1.4
69.32939	1.7
71.01379	9.1
73.02941	0.6
85.02938	1.4
87.00892	0.8
88.98798	0.9
89.02454	3.8
93.03461	1.2
94.98073	0.5
98.22590	1.1
99.00870	0.6
101.02449	3.7
105.10336	0.5
106.48696	0.4
113.02438	1.4
115.00375	7.3
116.92820	0.9
119.03480	0.7
119.05029	7.1
120.05336	0.5
121.02982	0.5
121.06528	0.5
127.04021	1.1
129.84660	0.5
130.04147	0.5
131.05028	1.5
132.02200	0.6
133.01436	11.5
133.02943	4.1
134.03738	1.5
135.04521	85.2
136.04866	2.8
137.02454	0.7
149.06046	2.6
151.07603	0.7
153.05600	1.6
161.02461	11.1
161.04541	0.8
163.03981	4.6
177.05544	0.9
179.03493	100.0
180.03856	3.5
181.05026	0.8
186.00722	0.4
186.05302	0.5
191.05634	1.0
209.56224	0.5
217.05125	0.6
221.04485	0.8
225.04005	1.1
233.11946	0.5
250.49477	0.4
251.05708	1.3
281.06699	1.4
341.08759	62.5
342.09146	3.9
375.12949	0.7
383.09985	2.8
397.11136	2.1
439.12747	0.5
457.12866	7.2
458.13287	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26172	0.8
54.82000	1.0
57.15250	0.9
59.01377	51.0
61.98830	8.9
69.03462	1.6
71.01378	21.6
73.02959	1.3
81.59782	0.8
83.01392	2.3
85.02950	3.2
87.00877	1.4
89.02442	35.3
95.01390	1.2
96.96034	1.5
100.76978	0.9
101.02444	19.2
109.02925	1.4
109.75423	1.0
113.02444	10.2
119.03499	14.8
131.03419	1.5
133.02942	10.3
133.05070	2.0
134.03723	3.4
135.04524	39.3
136.04840	1.2
137.02406	1.7
137.60490	1.0
149.04660	2.3
149.06052	6.6
161.02441	48.7
162.02841	1.2
177.05554	12.5
179.03496	35.9
191.05609	3.1
203.03584	1.0
221.04536	15.5
251.05580	7.0
252.06015	1.0
281.06552	12.2
282.07172	1.0
295.10330	99.9
296.10754	4.4
323.00412	0.9
341.08710	2.2
415.15738	1.2
457.13458	100.0
458.13974	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	457.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.9
59.01382	50.8
61.98830	11.8
62.10259	0.9
69.00954	4.3
69.03455	2.4
71.01014	1.7
71.01384	23.0
73.02951	2.1
79.31580	0.8
83.01409	2.1
85.02946	5.1
87.00823	0.9
89.02448	35.0
93.03452	1.8
95.01387	3.1
95.05044	1.0
96.96014	1.1
97.02950	1.3
101.02442	19.4
109.02965	2.0
113.02473	10.5
119.03503	15.4
121.02941	1.1
122.02461	1.9
131.03499	1.7
133.02969	10.8
133.05067	2.5
134.03734	4.6
135.04535	32.6
137.02432	1.6
143.03514	0.9
145.02931	1.1
148.05281	1.8
149.04538	3.6
149.06113	7.2
150.06325	0.9
153.05531	1.6
161.02458	42.2
161.04517	1.9
162.02797	1.6
177.05560	13.0
179.03497	32.9
180.06686	1.8
191.05600	8.4
221.02582	1.1
221.04568	15.1
221.06523	1.8
224.05602	1.6
225.06009	2.1
251.05644	4.1
266.10132	1.1
276.08838	1.1
277.09164	2.1
281.06677	12.0
295.10339	95.0
296.10593	3.3
335.51675	1.0
341.08649	3.0
356.11771	0.9
415.16086	1.4
457.13477	100.0
458.13757	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	457.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.6
59.01379	6.1
63.82653	0.6
68.99793	0.9
69.03452	1.1
69.37132	1.2
69.37531	2.0
71.01393	4.8
73.02930	2.0
74.81979	0.6
85.02963	7.5
87.00877	1.7
89.02460	1.4
97.02936	1.0
98.22580	1.4
101.02454	3.1
105.03437	0.7
113.02473	1.8
121.02930	0.7
131.03479	0.6
132.02132	1.2
133.02953	27.7
134.03755	1.9
135.04524	18.8
148.05341	0.9
149.06091	3.4
151.92944	0.6
153.05582	1.0
161.02440	100.0
161.86784	0.6
162.02837	2.8
163.10133	0.6
177.05582	4.2
178.91138	0.7
179.03488	23.5
179.05090	1.2
181.05017	0.8
221.04562	10.2
221.06714	0.7
237.29959	0.6
237.50731	0.6
242.68625	0.6
251.05580	10.0
252.06058	0.8
281.06653	18.7
295.10297	1.6
323.07889	0.8
333.58777	0.6
341.08719	9.0
371.15250	0.7
383.09827	57.4
384.10025	4.3
397.11411	1.6
397.53598	0.7
457.13562	9.3
458.13998	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00578	1.0
59.01375	23.0
65.03956	2.0
67.01880	12.4
68.99815	16.4
69.03454	23.0
69.58187	3.3
70.48360	0.9
71.01377	10.1
85.02947	3.4
89.02436	9.2
93.03460	15.4
95.05025	2.0
99.00899	4.7
101.02439	28.5
105.03461	1.3
107.04996	2.2
113.02447	16.3
119.03492	3.6
119.04985	1.0
121.02956	15.5
121.06596	7.4
123.04510	2.4
127.04012	47.5
128.04353	1.5
133.02954	4.4
134.03703	1.1
135.04498	4.0
137.02396	1.9
147.04469	1.0
149.02460	8.3
149.06067	6.6
151.04010	1.3
153.05568	26.9
161.02441	14.8
173.06021	2.2
179.03481	3.8
181.05075	21.3
182.05464	1.7
191.05579	1.2
193.05064	6.2
205.08597	1.8
207.02959	2.5
217.04977	1.1
221.04541	1.4
225.01810	1.5
225.04031	28.9
277.07220	3.5
281.06613	1.6
312.16122	1.0
323.07706	1.1
341.08896	1.5
383.09772	4.1
397.11365	4.3
457.13504	100.0
458.13931	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	457.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26090	0.5
55.01884	1.6
55.16238	0.6
57.03444	0.8
58.00599	1.7
59.01377	87.3
60.01701	0.7
67.01907	0.6
69.03448	7.3
69.35537	0.5
70.86313	0.7
71.01379	75.3
72.01698	0.5
72.99313	2.1
73.02942	11.9
75.00861	2.6
79.01876	0.9
80.42108	0.5
81.03450	4.8
83.01379	4.6
85.02944	8.9
87.00877	1.4
89.02442	100.0
89.71828	0.5
90.02769	1.2
95.01382	1.7
97.02946	13.6
99.00251	1.2
99.00876	17.5
99.04499	1.9
101.01782	0.9
101.02444	15.6
107.01339	0.8
111.00866	2.1
113.02454	6.7
115.04004	8.5
119.03487	2.0
125.02444	45.3
126.02783	0.7
127.03989	1.5
131.03502	11.2
143.03517	4.1
145.04938	0.5
147.04515	0.7
148.05305	58.9
149.04558	15.2
149.05646	1.8
152.75505	0.6
161.04504	2.3
163.07654	17.3
168.39980	0.6
173.04494	1.8
191.05638	8.9
195.76682	0.5
215.05542	1.0
233.06653	35.3
234.06906	1.2
249.02864	0.5
293.08789	29.6
294.08948	1.4
368.31873	0.6
457.16055	0.5
459.51624	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96877	0.9
55.01870	2.7
57.03447	1.2
57.20920	1.1
59.01379	49.3
61.98818	2.0
67.94652	0.9
69.72787	2.5
69.73125	1.6
70.81975	0.9
71.01380	31.9
72.99279	0.9
73.02941	18.0
75.32456	1.0
83.01389	8.7
85.02961	14.9
87.00868	1.7
89.02439	8.9
95.01371	1.6
97.02937	2.9
98.22647	1.8
99.00884	4.4
101.02444	36.9
103.03996	4.8
113.02438	10.1
113.60851	1.1
115.04021	1.2
119.03502	2.3
119.05010	1.9
125.02460	5.5
129.01921	1.1
131.03514	1.4
131.89375	0.9
143.03484	2.8
145.05084	1.7
159.02936	4.0
161.04553	16.4
163.06085	10.5
167.15552	1.0
203.17313	0.9
205.07164	2.1
229.07060	1.4
231.97562	1.0
247.08206	2.4
251.11357	32.3
252.11571	1.0
265.09286	1.2
307.10294	2.6
316.27029	1.0
397.17142	100.0
398.17279	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.0
57.03451	1.9
59.01382	48.1
61.98828	5.2
69.03435	2.7
69.45987	4.0
71.01384	30.8
73.02950	14.1
75.00880	1.4
83.01395	7.5
85.02954	13.8
87.00864	1.2
89.02451	10.3
95.01368	1.7
97.02955	2.8
99.00881	3.3
101.01779	1.9
101.02451	32.1
103.04000	5.0
113.02458	12.3
115.04000	2.1
119.03500	4.1
119.05027	4.0
125.02418	2.9
127.04031	1.0
135.04543	1.4
143.03497	3.7
159.02946	2.3
161.04570	12.9
163.03993	2.9
163.06128	9.9
165.27029	0.9
179.03455	1.3
205.05165	0.9
205.07150	1.9
217.00235	1.0
229.07196	1.2
247.08171	2.1
251.11369	30.8
265.12955	1.3
280.43909	0.9
307.10239	2.7
374.99908	0.9
382.63455	1.0
397.17139	100.0
398.17523	5.4
457.18787	2.1
468.51321	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57381	0.9
54.20534	0.9
69.79485	2.1
69.79848	2.1
79.82533	0.9
99.92587	4.2
100.93365	72.1
101.93363	2.0
115.92078	100.0
116.92075	2.9
116.92859	8.8
132.92372	1.1
145.89345	1.1
154.94424	1.6
161.55971	1.1
172.95468	20.6
283.26404	1.4
319.99176	1.0
344.65723	1.1
383.18799	2.4
409.20673	2.0
439.21024	1.9
453.59598	1.1
457.22635	21.0
458.22720	2.0
471.48450	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3341
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
59.01377	1.9
61.98814	1.1
69.21986	1.8
71.76729	0.3
75.81116	0.3
82.77935	0.3
98.21761	0.3
139.72430	0.3
155.17584	0.4
159.23051	0.4
162.83888	1.1
164.83624	0.7
172.89394	0.3
174.99213	0.7
194.21808	0.3
207.10246	0.5
208.10654	0.5
217.00273	1.1
293.21143	0.5
356.53818	0.4
374.99094	1.0
375.14606	0.4
375.21423	0.4
398.59015	0.4
439.31506	0.7
457.33176	100.0
458.33548	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	458.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12011	0.7
56.98021	0.9
57.03427	1.2
58.99604	7.7
59.01379	79.7
59.50416	0.7
60.01708	1.4
60.97524	3.1
66.61054	0.7
68.99816	11.8
69.03461	10.9
69.21660	5.1
69.98610	0.8
70.02619	1.3
70.02981	13.8
71.01382	33.4
72.99306	1.0
73.02918	1.1
79.05514	0.9
82.99623	3.1
83.01397	1.8
84.04542	1.9
85.02955	6.4
86.02477	13.3
87.00887	1.2
89.02446	34.1
92.05070	1.4
93.03463	1.7
94.02985	5.2
95.01385	2.3
95.05030	1.9
96.00391	2.9
98.22698	1.3
99.00876	0.9
100.03975	0.8
101.02444	17.2
102.98598	0.9
103.05532	1.6
105.03514	0.8
105.07132	0.9
109.01178	0.9
112.04047	63.5
113.00707	0.9
113.02453	11.9
113.04407	0.9
119.03506	10.8
119.05024	1.3
120.04586	1.1
121.02943	3.0
122.02494	32.3
122.06130	3.6
123.02789	1.2
123.04523	2.2
130.04274	1.1
130.06621	1.1
131.03564	1.8
131.04997	5.7
132.38658	0.8
135.99910	3.5
137.04309	8.6
139.02238	3.5
143.03496	1.1
147.02812	2.2
147.04536	2.7
148.04070	2.2
148.07684	2.1
149.02422	1.3
150.01479	1.8
156.03032	13.7
157.05301	1.3
158.03801	0.9
158.06125	1.3
161.04573	1.4
163.02254	2.1
165.02536	3.7
165.03784	36.1
172.07674	7.1
173.08174	0.8
174.05617	6.4
174.09225	1.1
179.05641	2.9
182.02806	27.5
183.03029	1.0
188.07167	1.0
190.03419	3.8
190.08818	1.7
191.01743	4.5
192.02621	1.4
192.06686	4.5
200.07187	19.7
204.01379	1.4
205.01959	1.7
206.06534	1.9
218.08217	6.7
226.01796	41.2
227.02229	1.4
234.05930	54.2
235.06291	2.9
252.06952	1.4
268.06454	7.1
278.04910	36.3
279.05276	1.7
296.05975	37.0
297.06253	2.4
380.13773	1.2
414.12277	2.2
430.11633	4.9
458.11276	100.0
459.11499	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	458.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16883	0.2
57.82385	0.2
59.01374	0.7
61.98830	100.0
64.00587	0.2
66.87888	0.2
69.39136	1.0
69.57278	0.2
71.01377	0.4
71.85961	0.2
89.02493	0.3
96.96034	0.5
98.22615	0.5
101.02451	0.4
116.92916	0.4
146.58160	0.2
161.02501	0.3
179.03543	0.2
248.65929	0.2
398.11325	0.4
398.16895	0.3
408.20667	0.3
459.14807	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61331	0.2
59.01383	1.5
61.98832	100.0
69.03442	0.3
71.01402	1.3
71.47135	0.2
85.02980	0.5
89.02436	0.7
93.03480	0.5
101.02442	0.7
104.05079	0.2
105.03453	0.5
123.88477	0.3
133.02960	0.9
135.04507	0.6
137.02420	0.5
153.01923	0.6
161.02463	0.4
168.00598	0.3
173.04637	0.4
177.01950	8.2
179.03528	0.5
191.05629	2.3
192.06157	0.2
230.75053	0.3
280.88455	0.3
459.09622	1.0
459.15472	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	27.5
61.98820	7.7
62.60597	2.8
69.03454	7.3
71.01389	26.4
71.46339	2.8
72.99313	3.4
73.02916	6.5
73.07159	2.3
74.11586	2.5
81.03498	3.3
83.01375	3.9
85.02935	14.0
87.00866	4.9
89.02446	8.5
93.03454	12.9
95.01374	4.0
96.96001	4.5
101.02449	8.8
104.34892	3.0
108.02183	45.9
109.02957	52.0
111.04508	3.3
113.02434	6.8
121.02984	4.5
125.02441	3.1
133.02951	11.0
134.03729	4.4
135.04546	13.9
137.02356	3.8
151.00424	3.5
151.04050	2.8
152.01154	52.2
153.01947	60.4
155.03488	3.3
161.02451	17.0
161.04561	5.6
163.03987	5.2
165.09137	4.6
173.04588	13.9
177.01891	3.8
178.02736	3.4
178.18643	3.1
179.03519	10.1
191.05606	58.5
192.05869	4.1
211.13373	6.6
240.04213	4.5
268.03754	76.5
269.04562	15.4
285.04141	5.7
343.21237	10.4
353.08508	3.3
415.23212	4.5
441.73944	2.7
457.63992	3.2
458.14786	8.0
459.10760	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	459.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.9
71.01369	0.6
73.02945	42.4
74.02497	0.7
75.00903	0.6
84.77583	0.3
85.02967	0.4
87.00890	0.5
89.02404	0.8
92.95123	0.4
99.00884	7.1
101.02469	0.5
116.92883	3.0
117.01944	100.0
118.02288	1.3
118.05109	1.5
133.02991	0.4
135.04591	0.6
149.04570	0.4
151.07704	0.4
161.02467	1.3
165.47398	0.4
179.03535	0.5
191.05658	1.1
307.50482	0.4
341.10828	0.6
450.68951	0.4
459.15079	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.5
69.58569	2.9
71.01371	3.4
84.13503	0.8
85.02962	1.1
86.22714	0.8
89.02451	5.0
95.01383	0.8
98.22608	1.1
100.67966	0.8
101.02448	3.7
107.05042	1.8
113.02389	1.6
117.03456	1.5
119.03497	2.1
121.01975	0.8
123.04489	0.9
129.11491	0.9
132.24976	0.9
133.02957	18.4
134.03786	5.4
135.04529	99.3
135.06648	3.1
136.04855	2.9
161.02444	64.6
162.02769	3.0
162.07172	0.8
179.03496	69.4
180.03857	1.6
215.28606	0.8
278.99384	0.8
296.10202	0.8
459.15054	100.0
460.15378	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	459.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53822	0.8
52.87182	0.7
59.01380	17.4
59.12572	0.8
67.01893	7.0
68.99471	1.2
68.99817	10.6
69.03457	46.4
69.43830	2.1
69.44215	1.7
71.01382	11.3
72.99290	0.7
77.03974	0.8
79.17322	0.7
85.02981	1.5
89.02438	5.1
93.03453	2.0
95.05019	3.6
99.04531	6.6
101.01781	1.2
101.02444	23.4
105.03465	3.2
107.05025	5.6
108.02166	3.1
109.02927	1.6
113.02439	1.3
119.03522	1.6
121.02941	3.9
123.04529	30.5
127.04047	3.6
133.02916	2.0
149.02443	2.4
151.04007	48.5
152.04298	1.5
153.05577	2.3
165.05592	1.7
183.06612	39.1
184.06908	1.8
195.06635	1.1
209.04564	1.0
221.08192	4.5
227.05627	20.8
249.43199	0.7
265.07196	1.1
279.08667	1.0
290.49384	0.8
425.29205	0.7
454.28192	0.7
459.15063	100.0
460.15482	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	459.1507
Annotation	Neolloydosin
Peak:m/z	Relative Intensity
52.59801	0.6
59.01382	13.0
65.03959	2.8
67.01863	0.8
68.99810	2.6
69.03451	4.0
71.01389	5.9
72.99310	32.7
77.03977	1.7
85.02991	1.2
87.00912	0.7
89.02449	3.8
89.03915	0.6
92.77782	0.5
93.03453	17.7
93.04017	1.3
95.05035	9.8
101.02438	4.3
105.03463	15.4
107.05039	2.3
113.02456	2.1
119.03501	1.4
121.02990	3.2
121.06623	3.5
123.04562	3.8
133.02963	11.5
133.06621	2.6
135.04503	1.8
137.02440	2.1
137.06081	2.5
143.05020	1.0
145.06665	1.2
147.04498	0.9
147.08133	0.9
148.97205	0.7
149.02449	1.9
149.06200	0.7
150.03238	0.8
151.04041	2.9
153.05579	71.1
154.05919	1.8
157.06563	1.9
159.08124	0.8
165.05569	9.5
173.06056	4.3
175.07635	2.7
177.01920	2.0
177.05563	0.9
185.06097	2.1
191.07137	1.4
193.08784	0.7
203.07169	2.3
205.08618	1.3
209.04549	24.6
210.04704	1.0
221.08307	1.2
227.05661	3.7
237.07671	1.0
261.07629	0.9
265.07126	2.8
279.08743	6.2
459.15091	100.0
460.15283	7.4
464.44818	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	26.9
66.70729	2.0
67.01878	7.8
68.99814	11.3
69.03453	46.8
69.77203	1.8
69.87312	1.5
70.30098	3.8
71.01389	12.8
80.61842	1.5
80.72564	1.7
85.02995	2.1
89.02438	10.6
93.03475	3.2
95.05026	3.9
99.00906	2.5
99.04514	4.9
101.02438	27.3
107.05020	5.4
108.02160	4.9
109.02927	2.2
113.02438	3.2
119.03530	2.9
121.02937	5.3
123.04522	28.6
127.04044	3.5
133.02937	2.8
135.04512	4.0
149.02457	2.0
149.04572	3.3
151.04002	40.8
161.02437	2.9
161.04704	2.1
183.06616	31.5
221.08125	4.5
226.12244	1.8
227.05623	21.8
297.10800	2.4
392.14963	2.0
459.15002	100.0
460.15295	7.9
479.22913	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2906
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
51.29133	0.3
58.19971	0.3
93.72816	0.3
98.22286	0.3
107.05032	30.4
108.05358	0.9
108.45293	0.3
116.92834	1.8
117.50778	0.3
147.08145	0.5
163.11288	100.0
164.11615	3.7
217.22566	0.3
238.09987	0.6
280.14655	0.7
283.17044	23.1
284.17426	1.5
295.17020	14.2
296.17395	0.8
297.15131	0.3
459.29044	54.3
460.29346	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	460.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25387	0.3
59.01371	0.9
61.98829	100.0
71.01401	0.6
71.28100	0.3
85.12834	0.2
89.02445	0.5
96.96021	0.5
101.02460	0.5
116.92844	0.3
135.41391	0.3
137.02409	0.4
161.02399	0.4
162.02780	0.3
324.31372	0.3
400.17966	0.5
460.15244	0.5
461.13492	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	23.2
71.01380	34.4
73.02954	9.1
85.02943	11.1
89.02454	16.0
90.50108	3.0
99.00904	3.3
101.02447	24.0
109.06581	4.3
111.49191	3.5
113.02450	12.0
135.04553	4.4
143.59097	3.2
161.04529	27.2
179.05667	3.7
207.10147	4.0
225.11229	7.8
239.60310	3.3
267.69821	3.5
367.04327	3.7
396.43082	3.4
407.83115	3.4
417.24973	100.0
418.25247	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	460.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92759	4.2
59.01383	32.5
71.01383	27.8
73.02955	10.2
85.02939	8.4
89.02445	17.0
93.03474	4.7
99.00837	4.6
100.36304	4.3
101.02454	23.7
113.02467	13.1
119.03522	6.8
123.04491	4.6
135.04543	6.2
161.02472	8.8
161.04555	35.3
177.25732	4.6
255.03030	9.9
281.17676	7.8
284.03268	16.1
299.05667	17.9
417.24948	100.0
418.25006	6.7
461.10709	12.8
461.24161	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	461.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67030	0.2
59.01376	1.5
71.01381	0.7
73.02932	0.3
77.24818	0.2
83.68150	0.2
84.82482	0.2
85.02985	0.4
89.02475	0.5
90.98604	0.8
93.03511	0.6
97.46496	0.2
107.05015	0.3
108.02190	0.7
109.02937	0.9
113.02439	0.2
133.02962	3.4
135.04535	2.9
136.01649	1.7
137.02441	100.0
138.02789	2.5
145.02963	0.5
152.01186	0.4
161.02438	10.3
162.02748	0.4
163.03868	0.3
177.02037	0.3
179.03528	1.5
179.05606	0.4
179.07118	0.5
221.04572	0.3
245.48192	0.2
281.06506	0.7
299.07721	27.3
300.07947	1.3
315.07184	0.3
323.07690	5.4
324.07950	0.4
461.10596	11.6
461.23990	0.4
462.11087	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02668	0.2
59.01363	0.8
59.84354	0.2
63.02428	0.3
65.00358	0.3
66.27972	0.2
69.03439	0.2
69.21851	1.0
73.20081	0.2
89.02463	0.4
92.56276	0.2
93.03441	0.2
98.07027	0.2
100.31264	0.2
100.94051	0.2
101.02429	0.5
107.01396	0.2
109.02977	0.5
109.06555	0.2
112.05015	0.2
113.02467	0.3
121.02903	0.3
123.04511	0.9
133.02954	0.4
135.04498	0.2
137.02454	0.3
145.02956	1.3
145.17537	0.2
149.02451	0.2
151.00404	1.0
153.01874	0.2
153.05592	0.7
159.04645	0.2
161.02432	0.5
161.04573	0.2
170.90768	0.2
183.04488	0.4
190.82124	0.2
198.97466	0.2
207.10320	0.2
209.24619	0.2
211.04034	0.5
227.03496	0.6
255.02979	85.5
256.03378	4.6
268.03659	1.1
269.04541	4.5
270.04922	0.3
281.04495	0.6
283.02475	61.2
284.03159	12.2
285.03979	2.0
286.04416	0.2
295.02435	0.3
297.04025	13.2
298.04807	16.9
299.05542	8.6
300.05878	0.3
307.08310	0.6
313.03525	4.8
313.07043	0.3
314.03860	0.2
315.07361	0.3
327.05051	0.3
381.40308	0.2
399.07635	0.3
446.08524	20.3
447.08871	1.5
461.10883	100.0
462.11234	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	461.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
63.02425	0.5
65.00381	0.4
69.28649	0.8
69.29038	0.4
71.05122	0.2
74.20213	0.2
76.03036	0.3
83.01398	0.5
85.02989	0.4
88.98798	0.3
89.02451	0.5
93.03457	4.4
101.02450	0.4
107.01405	0.9
117.17621	0.2
132.02206	0.4
133.02931	1.3
134.03754	1.0
135.04535	0.9
137.02446	11.8
138.02815	0.2
148.01727	0.4
151.00366	1.7
161.02449	3.2
161.04555	0.3
179.03577	0.6
182.13019	0.2
200.04875	0.4
211.04094	0.5
224.54758	0.2
227.03395	1.3
228.04294	0.3
239.03358	0.4
255.02979	13.7
256.03690	4.3
268.03766	0.5
269.04553	0.7
283.02499	7.6
283.05746	0.7
284.03256	100.0
285.03619	6.2
297.04031	2.9
298.04810	2.2
299.05582	97.9
300.05945	5.1
313.03665	0.6
313.07327	0.4
323.07660	2.2
341.06625	1.0
446.08493	1.7
461.10840	9.2
462.11081	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1092
Annotation	(-)-Isoscoparin
Peak:m/z	Relative Intensity
57.03433	0.5
58.53489	0.5
59.01381	6.0
61.98821	0.9
69.03461	4.1
69.77016	1.4
71.01386	2.1
73.02943	0.4
76.34176	0.4
81.03455	1.3
83.01378	1.9
85.02964	1.0
85.06760	0.4
87.00874	0.6
89.02439	3.0
91.04006	1.2
93.03456	4.2
95.01391	1.5
97.02964	3.0
98.22576	0.9
101.02432	1.4
107.01376	1.7
108.02181	0.7
109.02935	0.9
109.29335	0.4
111.04597	0.4
119.03424	0.6
121.02974	0.9
123.00884	7.0
124.01668	19.2
125.02450	58.5
126.02776	1.0
134.03708	1.1
135.04523	7.5
136.01707	0.4
136.04883	0.5
137.02451	10.1
147.04510	4.0
149.02402	0.4
149.04466	0.4
149.99586	36.5
151.00391	2.6
151.04054	0.5
161.02502	0.8
165.01910	0.5
167.03545	0.8
167.10757	0.8
168.00644	65.4
169.01410	6.1
171.10268	0.7
173.04648	0.6
179.03522	6.4
193.05031	0.5
211.06129	2.1
211.13335	0.6
255.03067	1.1
267.69748	0.5
284.03247	1.3
293.08673	0.6
299.05719	1.6
309.20956	0.5
313.05716	1.5
327.21692	3.8
443.09726	3.2
461.10904	100.0
462.11307	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	461.1429
Annotation	Exoticin
Peak:m/z	Relative Intensity
53.69683	2.7
59.01382	28.8
61.98815	11.4
64.67467	2.7
66.13734	2.9
69.62491	8.2
71.01382	15.2
82.95415	4.5
84.95118	10.5
85.02936	4.8
89.02464	16.7
96.96034	16.5
101.02450	8.9
113.02438	3.8
116.92859	3.7
119.03507	6.2
119.05070	3.2
123.04532	31.9
125.02431	4.0
126.99017	3.0
132.98190	3.3
133.57448	3.4
135.04454	4.0
136.94084	3.1
137.02477	5.6
141.00459	4.9
143.00203	3.9
153.05573	43.8
153.10866	2.7
161.04541	4.2
175.96503	3.8
178.95007	18.2
179.05656	9.2
190.62369	3.1
217.00316	5.1
238.97058	4.8
239.07727	11.1
281.08841	7.5
286.29178	3.4
289.44092	3.0
299.04459	7.9
363.12750	7.3
401.07779	8.2
401.13022	26.1
418.15387	4.3
425.16580	13.2
461.14426	100.0
462.14743	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	461.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.0
57.03448	6.5
59.01379	43.2
69.55959	9.0
71.01378	74.9
73.02946	41.3
75.65041	2.3
83.01390	10.9
83.46407	2.0
85.02940	37.7
86.49651	2.5
89.02451	11.4
89.49074	2.4
91.91541	2.2
95.01411	6.6
97.02941	3.8
98.22647	4.7
99.00879	16.5
101.01791	4.4
101.02442	69.3
113.02442	33.9
115.03980	2.3
125.02422	4.9
129.01958	2.3
136.68715	2.3
143.03502	3.1
159.03003	7.0
161.02385	3.2
161.04564	32.7
161.13437	2.1
165.72432	2.2
179.01358	2.4
200.73683	2.6
201.03801	2.8
233.06641	3.6
269.10327	54.3
401.14481	100.0
402.14877	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73946	0.3
53.15768	0.2
53.34154	0.2
59.01381	4.6
61.98831	8.5
69.03482	0.4
70.66487	0.5
71.01378	2.0
73.02947	0.4
81.03482	0.4
85.02946	0.6
89.02460	2.3
93.03465	0.5
95.05051	0.9
96.96011	0.7
96.96983	0.3
98.95570	0.4
99.00858	0.5
100.93366	0.9
101.02451	1.8
113.02457	0.5
115.92078	0.8
116.92872	1.0
119.03509	0.8
122.03751	1.2
123.04530	66.4
124.04871	1.7
135.04533	1.7
137.02449	0.9
138.01999	0.4
138.05634	0.5
153.05579	100.0
154.05905	3.1
158.75023	0.3
161.04599	0.8
167.03491	0.3
167.07193	0.3
179.05566	0.5
191.05611	0.6
206.68126	0.3
220.45206	0.3
312.15875	0.3
401.18130	0.5
425.05569	0.5
461.16840	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	461.1665
Annotation	Forsythoside E
Peak:m/z	Relative Intensity
59.01376	1.1
60.05540	0.2
61.98832	2.4
66.54685	0.2
69.31335	1.1
71.01381	0.7
77.44441	0.2
78.41258	0.2
89.02441	0.4
93.03482	0.3
94.34383	0.3
95.05032	0.7
98.95615	0.3
100.93379	0.4
101.02432	0.4
103.04028	0.3
108.02171	0.3
116.92876	0.3
122.03735	0.8
123.04529	63.6
124.04867	1.2
128.08958	0.2
135.04543	0.5
152.12193	0.2
153.05577	100.0
154.05917	2.3
163.06133	0.3
242.31784	0.3
272.57611	0.2
307.10199	0.2
349.60852	0.2
461.16653	4.2
462.17188	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	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73016	0.5
57.03459	1.0
58.00593	1.3
59.01379	87.3
59.79456	0.5
60.01734	0.9
60.37623	0.5
65.44506	0.4
69.03452	4.9
69.25141	2.6
71.01380	61.0
72.01724	0.6
72.99314	0.8
73.02950	16.7
74.56195	0.6
75.00879	2.2
77.69336	0.5
79.01888	1.1
81.03447	2.6
83.01383	3.4
85.02952	5.8
87.00861	1.2
87.04504	0.7
89.02444	100.0
90.02782	0.7
95.01382	1.5
97.02950	10.3
98.21856	1.2
99.00880	23.1
99.04551	1.1
101.02444	28.0
109.02965	1.1
111.00837	0.7
113.02439	5.6
115.04011	5.1
119.03495	1.8
125.02451	34.3
127.04005	0.8
131.03496	12.4
143.03482	4.4
147.11819	0.6
149.04555	34.2
149.09717	1.0
161.02567	0.6
161.04503	2.1
167.10776	17.8
168.11209	0.7
177.12779	0.8
191.05615	13.0
191.10757	2.9
209.11778	2.5
221.06595	1.4
221.11780	2.7
233.06651	19.0
239.12944	1.3
251.07750	1.0
265.74976	0.5
275.07678	1.6
293.08783	24.8
308.52444	0.6
309.99606	0.6
337.79971	0.6
343.87643	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50103	1.5
59.01360	1.8
60.31845	1.3
61.98828	8.9
77.64989	1.3
78.95890	8.1
90.79729	1.5
96.95980	2.0
110.98505	7.8
125.02454	1.6
167.01137	2.5
185.02139	7.9
195.13904	11.0
196.14717	2.2
219.59183	1.4
223.13380	8.5
256.13123	2.1
275.20081	6.4
286.78049	1.8
293.21225	100.0
294.21600	5.8
299.05359	1.9
415.01953	1.4
461.23038	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1033
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
54.01323	0.8
59.01376	4.2
61.98833	6.3
63.42732	0.9
65.00321	1.8
69.69138	3.0
83.01403	0.9
89.02446	1.0
89.97507	0.9
98.05816	0.8
98.22520	1.8
107.01376	3.7
125.02370	1.0
132.02220	1.4
133.02962	8.7
149.02470	1.5
151.00357	10.7
152.99590	1.7
175.03963	4.3
183.04494	1.6
191.05588	1.0
199.04024	2.7
201.01897	1.6
211.03888	1.5
217.05023	1.7
226.49971	0.9
227.03464	1.9
241.04967	1.2
255.02982	75.9
256.03723	37.6
257.04166	3.4
283.02475	99.3
284.03247	100.0
285.04016	91.9
286.04330	4.6
301.07230	1.4
325.41177	0.9
433.09610	1.6
445.09247	4.1
463.10300	16.1
463.20825	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	463.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	32.2
60.99307	14.3
61.98816	1.1
67.01900	5.1
68.99807	3.4
69.03458	1.9
71.01379	6.6
71.44595	0.8
73.02924	1.2
82.95421	10.2
85.02949	1.6
87.80396	0.8
88.98808	100.0
89.02443	9.8
92.10615	0.7
95.04425	1.1
95.05032	20.9
97.02921	1.5
99.00874	2.3
101.02449	16.2
111.00882	3.4
113.02450	2.8
119.03512	2.4
121.02955	5.2
123.04563	1.8
125.02461	0.9
127.04016	23.2
131.03571	1.6
139.00389	12.7
139.04030	6.2
141.34312	0.8
149.04529	1.6
152.08592	0.7
161.04558	1.3
165.05569	3.7
171.03006	0.8
179.05621	2.2
182.47359	0.9
191.05624	1.2
209.04491	0.9
223.05957	1.0
241.07170	31.4
242.07533	1.3
267.44687	0.8
299.17014	0.7
403.19766	1.6
463.17719	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	463.1095
Annotation	Mudanoside B
Peak:m/z	Relative Intensity
56.20023	0.5
59.01381	10.4
60.04645	0.6
61.98827	2.0
69.03467	1.1
69.26273	0.9
69.26659	2.1
71.01392	4.9
73.02954	1.4
74.06261	0.5
78.91862	1.4
83.01381	0.7
84.53231	0.6
84.95126	2.0
85.02940	1.7
87.00874	1.7
89.02447	5.2
91.91703	0.6
95.01379	0.9
95.05016	0.6
95.98222	0.5
96.95997	1.5
97.02971	1.7
99.00877	2.1
101.02453	4.2
113.02442	1.6
116.52707	0.6
119.03542	0.8
119.91591	0.7
121.02940	0.9
123.00900	7.3
124.01668	24.3
125.02455	24.6
133.02931	1.2
138.05594	0.9
138.80943	0.5
139.04053	0.8
139.63657	0.5
149.99586	31.6
151.00357	1.4
161.04584	1.1
167.03485	1.8
168.00642	84.5
169.01370	5.2
179.03516	0.7
179.05620	0.7
191.05745	0.7
227.54044	0.6
241.14442	0.8
283.12091	0.8
287.07605	0.8
313.05548	0.7
331.06650	2.6
388.03513	0.6
442.09949	0.6
463.10916	100.0
464.11172	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	463.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
59.01378	0.8
63.02406	0.1
65.00008	0.2
65.00321	1.2
69.18461	0.6
71.01378	0.3
72.99281	0.1
73.02943	0.1
80.02674	0.4
83.01379	1.5
85.02924	0.2
89.02444	0.3
93.03440	0.1
95.01392	0.2
98.22591	0.2
101.02423	0.3
107.00706	0.2
107.01392	2.7
108.02175	2.5
111.00879	0.1
113.02491	0.1
120.02158	0.2
121.02976	0.1
123.00860	0.2
124.01664	0.4
125.02448	3.5
132.90677	0.1
133.02965	0.2
134.03738	4.5
135.04555	1.0
136.01660	5.4
149.06085	1.1
149.99577	0.1
151.00371	9.6
152.01060	0.4
158.03731	1.1
160.01648	0.3
161.02415	0.3
164.01151	15.4
165.01515	0.6
165.37299	0.1
172.05232	0.2
173.02382	0.2
173.06105	0.5
174.03221	3.4
175.03951	0.5
176.04817	0.3
177.01964	0.6
179.03606	0.1
185.02420	0.5
185.06104	0.1
186.06914	0.1
187.04021	0.4
188.04785	0.5
191.05637	0.2
191.07124	0.3
196.00139	1.7
196.05269	0.1
197.06136	0.2
198.03163	0.4
199.03995	3.6
200.01068	0.2
200.04794	1.8
201.01924	3.1
202.02690	0.5
212.35533	0.1
213.05498	0.5
214.06355	1.3
215.03503	1.5
215.07057	0.6
216.04242	0.6
217.04991	0.7
218.05869	0.2
224.04697	0.5
225.05511	0.3
227.03508	0.9
230.05772	0.3
233.08325	0.6
233.10260	0.1
239.07155	0.3
240.04268	0.9
241.05069	1.3
242.05832	6.1
243.03107	0.2
243.06209	0.3
244.03778	0.2
257.04462	0.2
257.08176	2.7
257.12537	0.1
258.05356	1.8
258.08392	0.2
259.06006	0.2
267.02878	0.2
268.03745	0.9
269.04352	0.1
283.06094	1.4
285.04004	1.2
286.04810	7.9
287.05154	0.4
299.05704	0.1
301.07156	100.0
302.07492	6.3
343.08301	0.6
438.66302	0.1
463.13013	0.1
463.25476	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	463.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
59.01376	0.3
63.02397	0.3
65.00319	1.3
69.09219	0.5
69.09637	0.5
69.21870	0.2
71.01393	0.3
80.02655	0.4
80.28053	0.2
80.34135	0.1
83.01392	1.4
89.02415	0.2
101.02448	0.2
104.41835	0.2
104.56074	0.1
107.01386	2.3
108.02181	2.4
111.18000	0.1
113.30534	0.1
119.82206	0.1
123.00880	0.2
124.01688	0.5
125.02451	3.6
134.03737	4.8
135.04568	0.9
136.01663	5.5
149.06053	1.1
151.00368	9.7
152.01016	0.3
158.03740	1.3
160.01630	0.3
161.02444	0.3
164.01152	16.2
165.01611	0.5
172.05200	0.3
173.02405	0.3
173.06087	0.6
174.03207	3.2
175.00426	0.2
175.03944	0.4
176.04735	0.4
177.01917	0.7
182.03963	0.1
185.02470	0.5
187.03938	0.3
188.04797	0.3
189.05678	0.2
191.07175	0.3
196.00136	1.5
198.03191	0.3
199.03993	3.3
200.01158	0.3
200.04778	1.9
201.01939	2.9
202.02626	0.8
211.04083	0.2
213.05534	0.4
214.06302	1.3
215.03482	1.8
215.07095	0.7
216.04228	0.7
217.04944	0.7
218.05701	0.3
224.04723	0.6
225.05585	0.2
227.03490	0.9
230.05878	0.4
233.08141	0.4
240.04315	0.8
240.09451	0.2
241.05042	1.7
242.05821	6.5
243.06087	0.3
244.03731	0.3
257.04370	0.3
257.05255	0.3
257.08163	3.0
258.05316	1.8
258.08087	0.3
259.06064	0.3
268.03720	0.8
269.04343	0.3
283.06030	1.3
285.03949	1.2
286.04819	7.6
287.05243	0.6
293.09009	0.2
301.07150	100.0
302.07483	5.1
325.07159	0.4
343.08243	0.6
463.15158	0.2
463.25577	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.9
59.01379	100.0
60.01707	0.9
61.98819	1.1
62.09791	0.7
67.01888	2.1
68.99812	4.8
69.03451	2.3
69.38967	3.2
71.01015	1.6
71.01383	22.6
72.99302	1.0
73.02934	4.0
82.01073	0.8
83.01389	1.7
85.02946	5.6
87.00888	1.6
88.98806	1.8
89.02443	34.0
90.22354	0.7
95.01387	1.6
95.05025	13.8
96.96046	0.9
97.02936	0.9
97.06549	1.2
98.21883	1.4
99.00880	2.5
101.02445	25.4
109.67164	0.7
111.00870	3.5
113.02458	12.1
119.03505	14.3
121.02963	3.6
123.04524	2.4
127.04005	10.4
131.03464	2.4
133.71329	0.9
137.02486	0.9
139.00385	9.8
139.04022	4.6
141.05588	1.1
143.03484	3.3
147.04553	0.9
149.04544	3.1
151.07640	1.1
152.04768	1.3
161.04565	5.1
165.05540	2.8
167.07120	2.7
179.05667	8.5
179.07135	1.6
191.05457	1.5
197.08188	5.0
205.12309	1.3
209.04405	1.0
212.06917	0.9
223.06177	2.0
227.09248	1.7
241.07173	18.2
283.11880	2.3
331.13947	3.0
359.13309	3.4
397.51318	0.8
403.19669	1.6
462.34280	0.9
463.18225	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	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.0
57.03435	1.8
59.01380	88.0
60.01706	0.5
69.03453	2.1
69.21296	2.9
71.01382	62.0
72.01731	0.6
72.99328	1.5
73.02945	21.0
75.00877	2.6
79.29596	0.5
81.03448	0.7
83.01389	3.8
85.02956	13.0
87.00887	2.2
89.02446	100.0
89.88947	0.5
90.02778	1.1
95.01381	3.5
97.02938	3.0
98.21938	0.9
99.00883	24.6
99.04522	0.8
101.02447	51.6
102.02764	0.5
109.83607	0.4
113.02454	20.9
115.04004	1.8
119.03506	13.2
122.43581	0.4
125.02457	5.6
131.03503	18.4
143.03505	3.3
149.04558	62.6
159.03040	0.8
161.04547	6.9
179.05621	5.5
191.05600	14.0
215.65182	0.5
219.24713	0.4
221.06665	2.6
223.82425	0.5
233.06630	2.1
251.07712	6.1
257.41211	0.6
293.08829	2.3
311.09708	0.8
331.17538	5.5
463.21863	58.9
464.22141	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	463.2184
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
50.73573	0.4
55.01871	2.7
57.03449	2.1
58.00581	1.2
59.01378	89.6
60.01721	0.7
69.03452	1.3
69.23520	2.4
69.85368	0.4
71.01381	63.0
71.27486	0.5
72.99306	1.4
73.02946	24.5
75.00874	1.5
83.01387	4.5
85.02953	11.6
87.00854	2.0
89.02444	100.0
90.02793	0.8
95.01392	2.5
97.02959	2.7
99.00879	26.5
101.02444	51.0
101.22114	0.4
102.02802	0.9
111.00892	0.6
113.02453	16.4
113.03231	1.0
115.04027	1.5
119.03497	13.6
125.02445	6.3
125.03281	0.5
131.03500	19.7
143.03458	3.5
149.04553	71.2
150.04897	1.1
155.01410	0.4
159.03017	0.5
161.02469	0.6
161.04556	7.8
176.71625	0.4
179.05627	6.1
191.05618	17.6
221.06612	3.3
228.79613	0.4
233.06593	2.4
251.07697	5.6
293.08762	2.9
301.03778	0.4
301.07062	0.8
311.09918	0.5
331.17621	10.5
332.18042	0.6
463.21863	68.6
464.22073	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	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21923	0.4
59.01378	100.0
61.98805	0.6
62.28123	0.4
63.45526	0.5
71.01379	15.0
71.28126	0.6
73.02954	1.1
76.68936	0.6
83.01389	0.6
85.02962	2.4
87.00870	1.0
89.02441	23.3
95.01387	0.8
96.96011	1.1
97.02988	0.5
99.00907	0.5
101.02442	9.0
101.38943	0.5
113.02452	6.4
119.03503	11.4
120.03873	0.4
120.52644	0.4
131.03546	1.3
140.07207	0.8
143.03493	3.1
148.85164	0.4
149.04576	1.5
151.91063	0.5
161.04552	4.7
163.81262	0.5
164.79568	0.5
179.05606	11.4
179.07153	0.8
205.12381	1.8
291.60239	0.6
305.16043	3.5
403.19797	2.5
433.45822	0.5
463.17746	0.7
463.22705	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	2.0
59.01381	6.4
61.98829	49.4
68.47900	1.2
69.08238	2.5
69.08638	5.6
71.01385	2.5
72.00931	1.4
73.04056	6.5
87.05628	5.2
89.02425	1.8
91.61864	1.3
93.03442	3.3
101.02460	2.6
110.02483	5.7
112.04041	3.9
120.13840	1.6
125.02419	3.1
125.07214	1.9
126.06731	10.8
129.06734	6.6
130.08714	1.6
133.02962	2.4
135.04524	4.1
136.04860	1.3
137.02448	1.3
139.08777	2.8
140.07175	8.5
141.10304	1.6
144.07777	41.4
149.99487	1.2
151.00334	2.2
161.02478	6.7
164.01068	1.3
168.07796	20.7
168.09164	2.3
169.06146	7.3
170.70052	1.3
173.04576	3.9
177.05466	1.5
179.03487	3.8
186.08827	77.0
187.09140	1.6
191.05701	2.0
197.16620	2.9
208.13361	1.4
212.13936	1.5
224.50946	1.2
225.16013	9.2
238.19202	2.1
251.05553	2.0
281.06754	1.7
301.07138	10.2
302.07541	1.4
358.18930	1.8
395.23096	9.2
427.25577	100.0
428.25858	6.0
463.11380	4.0
463.23126	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	463.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62865	1.1
58.76118	1.1
59.01374	3.4
61.98817	1.7
64.16201	1.2
65.64223	1.2
68.35153	1.2
69.96674	2.6
69.97003	1.1
78.95901	6.3
82.95446	1.2
92.14655	1.3
98.22570	1.6
110.98532	4.5
185.02205	4.8
188.74532	1.3
189.55722	1.1
195.13913	16.4
216.03973	1.6
217.00281	3.1
277.21725	14.0
278.21863	1.5
286.23428	1.3
295.22778	100.0
296.23178	6.4
302.74875	1.1
357.71066	1.2
368.19388	1.2
394.86514	1.1
425.45868	1.2
463.24539	22.1
464.24832	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30285	0.3
55.13920	0.3
59.01370	1.6
61.98830	100.0
69.14289	1.8
69.14690	0.6
70.61895	0.3
71.01395	0.6
73.02935	0.5
75.00893	0.3
89.02453	1.1
98.21871	0.8
101.02480	0.5
104.82277	0.3
108.08566	0.3
113.02472	0.3
161.02573	0.3
161.04680	0.5
191.05748	0.3
262.85251	0.4
269.10339	0.3
270.10831	0.5
271.10858	0.5
272.11145	0.4
356.00983	0.3
404.15424	1.0
429.14090	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	97.7
72.26571	58.2
75.43447	58.4
88.55178	54.1
93.51523	66.0
109.09883	55.2
126.55865	78.7
128.00439	64.3
165.16763	61.2
220.51746	58.0
310.20880	84.7
464.31238	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	465.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49859	0.8
58.87714	0.7
59.01381	35.5
61.98818	2.9
62.83473	0.8
63.02311	0.8
64.74735	0.7
67.01886	11.5
68.99816	18.3
69.72433	2.9
71.01383	7.4
73.02946	1.0
81.03447	0.7
85.02945	2.4
85.17036	0.7
86.82860	0.7
88.98835	0.9
89.02450	7.3
93.03493	1.6
96.95968	0.8
97.02942	1.3
99.00831	1.0
100.68171	0.8
101.02444	97.5
102.02780	1.4
111.00864	1.9
113.02477	1.9
119.03489	3.1
123.04523	1.6
127.04012	46.0
128.04373	1.0
130.52853	0.8
135.04536	1.0
137.06029	0.9
141.05611	1.3
143.03503	2.2
149.04533	1.2
155.03467	1.6
161.04517	1.5
179.05563	3.0
191.05602	2.4
195.06653	6.8
212.13034	0.9
222.98596	0.8
225.07829	0.8
243.08723	100.0
244.09023	3.5
278.46335	0.9
405.13962	7.5
405.21088	2.8
465.19760	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	465.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99708	1.0
59.01379	100.0
60.31659	1.0
61.98830	2.5
62.94734	1.0
67.01895	1.4
67.83827	0.9
68.99821	15.9
69.03477	4.2
69.38280	3.8
69.38673	2.4
71.01379	22.7
72.82094	1.1
74.35818	1.1
79.01928	0.9
79.64470	1.0
83.01435	1.5
85.02946	5.3
86.28280	1.0
89.02448	28.5
95.01398	11.8
95.05041	1.3
97.02966	4.2
98.04353	0.9
98.21891	2.5
101.02446	55.8
102.34552	1.4
113.02467	11.0
119.03496	15.5
123.04554	8.9
125.02468	5.8
127.04019	8.0
131.03471	1.8
141.05585	31.8
143.03528	3.4
149.02425	1.3
149.04565	1.4
151.00378	1.9
155.03508	39.5
161.04567	6.4
179.05611	16.4
181.05235	1.3
187.90187	1.1
191.05699	1.3
197.81894	1.2
212.98981	1.0
225.07767	1.6
243.08725	57.7
244.09096	1.6
250.37471	1.0
285.04123	3.2
303.05154	2.9
405.14127	5.7
405.21320	11.9
453.86316	1.2
465.19592	4.0
485.93536	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41930	0.9
51.98365	1.0
59.01380	100.0
68.99816	5.2
69.03456	1.8
70.50233	1.8
71.01382	30.1
73.02968	2.5
77.97810	1.0
83.01403	1.0
85.02956	4.9
87.00855	1.3
89.02448	48.0
95.01395	7.9
99.00933	1.1
101.02444	26.8
108.02232	1.1
109.02957	1.1
113.02459	12.7
119.03510	15.5
123.04514	12.2
131.03505	2.3
143.03477	3.7
149.02455	1.3
149.04561	2.6
155.03505	21.0
161.04588	3.8
179.05615	17.4
191.05557	1.7
202.65002	1.0
225.07663	6.8
228.82356	1.2
321.86716	1.0
378.59268	1.0
387.13083	2.1
465.19983	3.5
471.71918	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.8
58.95042	0.7
59.01379	100.0
62.43981	0.6
64.99394	0.7
69.55024	1.1
69.55426	1.8
71.01379	11.8
74.00466	0.7
83.01399	1.3
85.02950	1.7
89.02441	18.4
95.01389	0.7
101.02441	7.1
113.02450	5.2
119.03495	10.3
131.03497	1.2
139.07666	0.7
143.03561	2.4
143.09355	0.7
149.04520	1.1
149.09715	7.5
149.10614	0.6
153.09285	2.6
161.04593	4.9
167.10779	14.7
167.12045	1.1
179.05591	8.1
225.15054	3.0
243.16136	3.0
323.23581	0.8
405.21265	13.9
465.23566	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.6
57.03434	2.4
58.00584	1.0
59.01381	66.6
60.01745	0.6
69.03436	2.0
69.29665	2.1
71.01382	50.9
72.99299	1.2
73.02943	21.1
75.00890	1.3
83.01389	7.3
85.02948	19.5
87.00881	3.4
89.02447	47.3
95.01388	3.5
97.02935	3.1
99.00877	13.3
101.02445	44.7
102.02821	0.7
111.00861	1.8
113.01699	1.2
113.02453	18.7
114.02792	0.8
115.03996	1.4
116.18283	0.7
119.03493	10.2
125.02444	4.2
129.01921	0.9
131.03497	7.1
135.04521	0.8
142.26094	0.5
143.03525	2.7
149.04558	19.2
158.95154	0.6
159.02983	1.9
161.02521	0.7
161.04559	10.3
171.13890	1.5
179.05553	5.0
191.05585	5.4
233.06628	2.6
236.23112	0.5
251.07755	1.0
293.08682	2.2
333.19165	32.9
334.19464	1.6
418.87634	0.7
465.23386	100.0
466.23697	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	465.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50066	0.3
55.01878	3.7
57.03444	3.0
58.00587	0.4
59.01376	33.8
64.01777	0.3
69.03444	1.1
69.67255	0.3
69.67593	1.0
71.01379	45.5
72.01716	0.4
72.99305	0.6
73.02943	23.5
74.03291	0.3
75.00864	1.5
81.03447	0.8
83.01383	7.8
85.02946	21.2
86.00082	0.7
86.03276	0.4
87.00864	2.4
89.02440	15.4
90.02764	0.3
95.01389	2.9
97.02945	2.5
99.00877	8.7
99.04512	0.7
101.02441	42.8
102.02738	0.3
102.38037	0.4
111.00886	1.7
111.23769	0.3
112.38394	0.3
113.02446	18.6
115.04031	1.9
119.03505	2.2
125.02444	3.4
127.04004	0.3
129.01915	1.1
131.03468	2.7
133.02971	0.7
135.04489	0.6
143.03517	2.0
149.04543	3.5
159.02997	4.7
161.02406	1.1
161.04546	17.7
171.13907	1.8
177.01920	0.3
179.03506	0.3
179.05571	0.5
191.05632	1.9
209.11777	0.6
210.12138	0.5
233.06670	3.3
293.08820	2.3
303.21826	0.4
333.19162	37.0
334.19470	1.7
405.20966	0.5
427.15146	0.5
465.23337	100.0
466.23752	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	465.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.1
57.55748	0.6
59.01380	100.0
60.01707	1.0
61.98834	10.9
69.43338	2.2
71.01382	19.8
73.02946	0.6
85.02956	3.3
87.00892	1.5
89.02448	33.4
95.01403	1.5
97.02994	0.7
99.00883	0.8
101.02445	11.0
112.05351	0.6
113.02467	10.0
119.03508	13.7
119.04316	1.1
131.03528	2.0
134.07397	1.3
137.09735	0.8
143.03488	3.5
149.04590	2.3
149.09720	13.9
149.10832	0.9
161.04549	4.3
167.10768	27.8
168.11081	0.8
179.05611	14.4
179.07133	1.0
179.23419	0.7
180.32402	0.6
191.10608	0.6
204.39778	0.6
207.14072	0.6
225.14963	5.7
306.40967	0.6
405.21243	15.2
406.21774	1.1
408.10043	0.6
465.18784	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03447	1.9
58.00616	0.6
59.01381	100.0
60.01720	0.9
61.98837	0.6
67.01897	1.6
68.99815	2.8
69.58865	1.3
71.01383	21.3
73.02947	3.1
83.01414	1.0
85.02946	4.1
87.00903	1.0
89.02448	27.6
95.01415	0.9
96.96004	0.9
97.02979	0.9
99.00913	1.9
99.04516	0.6
101.02448	22.5
107.05058	1.1
113.02451	7.8
117.01939	4.6
119.03500	9.7
125.02467	1.2
127.04009	4.9
131.03525	2.1
135.04520	0.7
140.07185	3.8
141.07544	1.3
143.03468	2.5
149.04579	2.9
161.04576	6.4
167.10872	1.0
173.51530	0.6
179.05626	9.3
191.05702	1.4
195.06696	0.9
199.01993	0.5
243.08730	9.9
243.16037	0.7
244.09402	0.5
271.75858	0.7
307.10278	0.6
309.84811	0.6
313.26492	0.5
333.15698	2.2
405.13675	1.0
405.21317	17.7
406.21854	0.9
465.19687	11.8
466.20218	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.7
57.03445	3.2
57.63631	0.4
59.01379	34.1
59.70649	0.4
69.03453	1.0
69.19841	2.5
71.01383	41.6
72.01698	0.8
72.36469	0.4
72.99293	0.7
73.02947	22.0
75.00869	1.6
81.03462	0.7
83.01382	9.1
85.02953	22.3
86.00083	0.9
86.03307	0.6
87.00873	2.2
89.02444	17.9
95.01389	3.1
97.02950	2.6
99.00882	9.5
99.04513	0.5
101.02444	42.9
102.02753	0.6
111.00887	2.2
113.02449	16.4
113.03245	0.8
115.03987	2.4
119.03490	2.4
121.56355	0.4
125.02436	4.4
125.67203	0.4
129.01910	1.4
131.03510	3.0
133.02933	0.5
135.04495	0.7
143.03493	2.3
149.04556	3.6
152.60880	0.4
156.36472	0.4
159.02959	3.5
161.02403	1.3
161.04565	17.0
165.03807	0.4
171.13855	1.3
179.03476	0.4
191.05566	2.3
204.26611	0.4
221.91354	0.4
233.06694	3.2
293.08826	2.3
315.18182	0.4
333.19177	47.3
334.19403	2.6
427.15283	0.8
465.23334	100.0
466.23642	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	465.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.8
55.78968	0.3
57.03442	1.2
59.01380	60.2
60.01708	0.5
60.76040	0.3
61.98823	0.5
64.86562	0.3
69.03458	0.4
69.17540	1.7
71.01381	13.9
73.02950	5.9
75.00867	0.7
83.01382	3.0
85.02951	7.9
86.00120	0.3
87.00893	1.3
89.02433	2.8
93.03466	0.7
95.01382	1.5
97.02956	0.6
99.00874	2.1
101.02444	14.3
111.00909	0.8
111.61619	0.4
113.02448	5.6
113.03230	0.3
117.68569	0.3
119.03519	0.5
119.05084	0.3
121.02958	0.9
125.02475	0.4
129.09221	0.3
133.02983	0.6
135.04494	0.7
143.03520	0.4
152.65352	0.3
159.03004	0.9
160.96819	0.3
161.02475	1.6
161.04533	2.5
173.04582	0.8
191.05626	1.6
231.22180	0.4
243.19745	1.3
269.04581	0.9
278.81747	0.3
285.03940	0.4
285.20596	0.5
303.07339	0.4
308.40747	0.3
333.19122	0.6
380.05557	0.3
405.24948	2.0
406.02856	0.3
412.28860	0.4
447.26047	3.5
448.26321	0.5
465.27054	100.0
466.27457	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	466.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.4
61.88539	0.2
61.98829	100.0
71.01373	0.7
76.72466	0.2
85.02944	0.3
89.02436	1.1
90.02767	0.3
93.03459	0.2
95.01423	0.3
101.02448	0.7
119.03507	0.4
155.03525	0.4
173.04579	0.3
179.05653	0.3
191.05569	1.4
217.27168	0.2
264.41901	0.2
265.97552	0.2
449.14532	0.4
466.20483	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
59.01378	32.1
60.01711	3.3
61.01799	0.4
61.98829	100.0
62.48809	0.4
62.98537	0.4
69.22137	0.6
69.22535	1.8
71.01382	6.3
72.01726	1.1
73.02925	0.5
85.02944	0.8
87.00922	0.5
89.02436	8.5
89.02935	0.7
90.02806	1.1
96.95975	0.4
99.00922	0.5
101.02442	3.0
102.02814	0.6
113.02434	2.5
114.02798	0.7
119.03483	3.4
120.03821	0.5
131.03577	0.6
137.02446	8.0
141.11226	0.4
143.03502	0.6
148.91005	0.4
149.04601	0.5
149.09779	1.8
150.10071	1.4
161.04599	1.2
167.10765	2.9
168.11143	1.7
179.05598	2.5
180.05994	1.1
221.25175	0.4
222.92546	0.9
226.15332	0.8
226.92078	0.5
234.03720	0.4
257.08136	0.5
303.90201	0.8
405.21170	0.7
406.21628	3.3
431.12057	1.1
465.95047	2.5
466.19476	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.7
62.40532	0.8
71.01382	5.8
73.02946	3.2
73.21225	0.8
78.38820	0.8
83.01391	1.0
85.02954	3.4
89.02443	2.2
93.03448	2.1
101.02451	5.7
111.00941	1.2
113.02408	2.5
117.03471	1.4
131.03506	1.4
133.02940	4.3
134.03706	2.0
134.38568	0.9
135.04514	1.6
147.36784	0.8
149.02437	1.9
151.00365	2.4
161.02437	4.3
161.04558	2.1
161.28564	0.8
173.04530	2.4
177.01907	1.1
178.02699	1.2
179.03499	1.3
191.05540	1.5
239.03487	1.7
240.04280	2.3
268.03766	80.5
269.04504	29.4
270.04892	1.7
289.07205	1.1
335.20782	6.2
431.09821	100.0
432.10138	7.0
467.15533	2.7
467.24960	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	467.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34589	1.7
58.18422	1.6
59.01377	100.0
61.98828	30.3
64.10986	1.7
68.99552	2.7
69.03448	2.3
71.01382	36.1
73.02949	5.7
82.95428	4.5
83.01354	2.7
85.02949	7.5
88.98806	3.2
89.02443	29.4
97.02946	3.3
99.00883	3.5
101.02438	28.4
111.00896	2.0
113.02446	15.1
114.44074	1.9
119.03503	12.0
125.27168	2.2
131.03514	2.8
137.02441	5.1
143.03516	2.6
161.04581	6.1
167.07121	4.4
179.05583	8.2
195.06686	10.8
203.09201	2.1
213.07668	2.7
227.09070	3.5
282.84598	1.9
285.51395	1.8
347.13477	11.1
375.12952	12.7
407.15570	51.7
408.15820	2.3
439.11133	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	467.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84402	5.8
59.01360	18.2
61.98821	10.4
69.03449	9.8
71.01379	13.8
71.18676	5.7
72.99303	18.3
75.00866	48.8
82.19751	5.9
93.03445	7.5
99.00861	24.8
112.98822	10.5
117.01904	10.0
117.39447	5.7
125.87339	17.1
133.02968	8.0
135.03001	73.1
135.04549	11.7
136.50111	5.7
142.99849	17.5
147.04404	7.2
158.84679	14.8
160.84225	88.5
161.02467	11.4
161.06081	8.6
165.12828	17.0
173.00926	10.8
173.04572	8.7
174.01691	100.0
175.02379	6.6
176.08340	6.1
191.05710	7.3
268.03925	9.5
269.04315	9.3
277.21844	34.3
283.08594	12.9
293.21100	19.0
305.21323	42.4
309.10239	9.1
313.17953	10.5
315.19528	9.2
317.21237	10.6
327.19669	15.2
331.19168	62.7
333.20773	7.3
345.20718	52.3
347.15164	17.4
349.20105	24.3
363.14813	12.9
369.20782	9.1
371.14786	9.5
371.18671	89.7
383.18481	8.6
387.21686	12.6
389.16360	29.2
401.19781	16.3
407.17142	29.4
413.19769	18.8
431.09756	14.7
431.20572	15.1
432.05630	37.8
449.21808	40.0
462.33694	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	467.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.0
59.01375	3.9
61.98837	1.8
69.22575	3.2
69.22988	5.2
70.21152	1.3
71.01377	3.4
72.99299	5.7
73.24041	1.6
75.00868	4.3
93.03470	3.5
97.02971	1.4
99.00860	7.4
111.00875	3.9
112.98810	11.8
113.99596	3.7
115.00355	4.2
133.02945	3.5
134.03723	1.5
135.03030	10.1
135.04524	5.4
137.02470	1.4
142.99852	19.7
156.00644	7.3
161.02422	6.8
162.65567	1.5
173.00934	11.9
173.04533	5.6
174.01706	100.0
175.02386	5.7
177.05595	1.5
179.03426	2.1
185.42393	1.6
191.05670	3.3
200.04837	1.8
211.13419	3.0
237.11328	2.7
268.03546	2.8
269.04480	1.8
279.12354	1.9
281.04773	3.0
283.13309	3.7
284.03268	3.2
293.21240	12.4
301.14581	1.8
305.21188	7.4
318.11172	2.0
327.16061	2.6
333.20593	1.7
345.20563	4.7
349.20255	9.4
363.21970	1.4
367.21069	2.0
371.14877	5.2
389.19833	1.5
395.49185	1.6
407.20859	3.5
431.09482	3.6
449.21545	4.2
467.16815	1.8
467.22699	2.5
467.28381	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	467.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.4
61.98809	1.3
69.70964	1.8
71.01376	0.8
72.79008	0.7
78.95901	10.3
82.08440	0.6
96.96957	0.7
98.21946	1.3
99.14585	0.7
108.51003	0.7
152.99586	18.7
153.00777	1.5
159.20807	0.7
171.00610	2.3
227.03296	3.3
239.20154	100.0
240.20486	3.9
245.04272	4.9
349.69934	0.8
467.24084	33.5
468.24472	1.8
481.14386	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53177	0.4
55.01877	3.9
57.03446	3.3
58.00600	0.7
59.01380	30.7
61.34764	0.4
66.22968	0.3
68.99830	0.5
69.03456	1.2
69.11815	1.3
69.12238	1.0
70.31949	0.3
71.01383	36.2
72.99306	1.0
73.02946	22.5
75.00886	1.5
81.03475	0.6
82.18887	0.3
83.01393	8.7
85.02950	22.5
86.00111	1.1
87.00869	3.3
89.01953	0.3
89.02444	8.9
91.57698	0.3
93.03470	1.6
95.01365	2.9
97.02938	2.4
98.22601	0.9
99.00881	8.0
99.04542	0.4
101.02444	42.2
111.00893	2.9
113.02448	16.8
115.03990	1.8
119.03534	0.7
125.02479	2.7
129.01953	1.4
131.03461	2.0
133.02998	1.3
134.03770	0.8
135.04460	0.5
141.01968	0.7
143.03471	1.9
149.04556	1.5
159.02985	3.2
161.02539	1.9
161.04550	11.5
171.13965	0.8
173.04605	0.8
173.15520	1.5
177.02000	0.4
178.02710	0.6
179.03490	1.0
191.05609	1.6
215.20621	0.4
222.52234	0.5
233.06636	2.5
240.04219	0.6
268.03763	13.9
269.04483	5.5
289.07117	0.5
293.08908	1.1
335.20737	50.7
336.21103	2.7
358.99808	0.4
361.22485	0.4
396.21271	0.4
420.25424	0.4
431.09824	15.9
432.10223	1.3
449.14322	0.5
467.24948	100.0
468.25308	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	468.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.6
60.01702	0.6
61.01795	0.5
61.98828	100.0
66.92107	0.2
69.14957	1.4
70.49406	0.2
71.01384	0.9
73.02966	0.2
73.73186	0.2
85.02937	0.4
89.02460	1.1
96.96025	0.6
101.02452	1.0
119.03542	0.3
149.09726	0.3
150.10071	0.3
153.30528	0.3
165.01942	0.4
167.10829	0.3
168.11169	0.3
188.63062	0.2
195.06680	0.9
264.83710	0.3
407.21713	0.3
408.22165	0.6
409.17645	0.3
455.69760	0.3
469.23083	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.7
60.01714	1.2
61.01794	1.4
61.98830	100.0
69.38542	1.3
71.01390	1.5
78.95902	0.5
85.02952	0.4
87.00890	0.4
89.02446	1.8
89.14835	0.2
90.02785	0.3
96.96040	0.6
101.02455	1.5
113.02451	0.5
119.03516	0.5
135.04553	0.3
137.02475	0.6
142.97667	0.2
149.04608	0.4
161.02449	0.4
161.04568	0.3
165.01927	6.1
165.03221	0.5
179.03513	1.3
180.04271	3.7
191.05598	0.4
195.06621	7.6
210.05434	0.5
225.07671	2.9
243.08731	0.4
307.09311	0.3
325.50821	0.3
336.98434	0.2
361.13150	0.6
408.21820	0.3
409.17169	0.8
421.15057	1.3
469.13492	0.4
469.23093	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.8
60.01736	0.4
61.98829	100.0
69.52812	0.9
69.75683	0.3
71.01388	1.9
73.02946	0.6
89.02454	2.9
96.96044	0.5
97.71651	0.3
99.00912	0.6
101.02464	1.3
113.02411	0.3
119.03569	0.5
125.02440	0.3
131.03554	0.3
135.04549	0.7
137.02440	2.6
138.02812	0.9
149.04547	1.9
150.90833	0.3
160.84258	0.8
161.04680	0.3
165.01958	1.0
179.03526	1.0
191.05670	0.6
195.06680	0.7
305.89749	0.3
307.08231	0.6
409.17349	1.0
431.94568	0.5
467.95313	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.9
61.98830	100.0
65.17685	0.3
65.96256	0.4
69.58207	1.8
78.95914	0.4
93.95443	0.4
94.76175	0.4
136.91991	0.4
183.60942	0.4
185.54150	0.4
218.88353	0.4
239.20262	0.8
240.20508	2.5
241.77074	0.4
351.02362	0.4
405.26437	3.9
468.24734	1.6
469.33255	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	469.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28433	1.4
56.77428	1.4
59.01381	95.8
60.28205	1.5
61.98830	3.5
69.51604	1.5
70.99012	2.1
71.01383	55.5
73.02948	18.3
83.01392	2.3
85.02934	10.2
87.00895	3.4
89.02447	100.0
101.02451	41.5
113.02477	12.0
119.03502	8.5
125.02466	3.2
128.03566	2.0
131.03493	27.2
135.04530	17.3
137.02483	2.4
149.04565	77.0
161.04590	2.6
165.01955	4.0
179.03481	19.8
179.05014	2.0
179.05669	2.4
191.05614	15.4
195.06628	5.6
225.07640	3.2
277.12900	4.6
307.08289	4.4
409.17078	24.1
469.13434	4.8
470.12653	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	469.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07328	1.5
57.03428	2.0
59.01379	99.2
61.98830	14.7
70.26624	3.0
70.26949	2.1
71.01383	62.8
72.87771	1.5
73.02956	15.8
77.20406	1.8
83.01361	2.5
85.02959	12.0
87.00880	3.0
89.02448	100.0
90.02800	2.2
95.01383	1.9
97.02903	2.8
97.41721	1.8
99.00865	9.3
101.02446	48.9
113.02447	14.2
116.24464	2.0
119.03508	8.8
125.02437	4.9
131.03510	26.1
135.04536	11.6
137.02446	5.4
142.45947	1.7
143.03467	3.1
144.71910	1.7
149.04564	78.1
161.02448	2.6
161.04591	3.6
163.06223	1.6
165.01991	2.8
173.08211	2.1
179.03513	13.5
179.05690	3.5
179.83771	1.7
180.04253	3.6
183.49081	1.9
191.05621	13.3
195.06569	6.4
221.06760	3.0
225.07622	2.5
251.07747	3.3
259.75192	1.8
277.12793	3.6
307.08005	2.8
341.08527	2.6
342.09286	1.6
409.17123	43.0
410.17679	2.2
466.48978	2.1
469.13434	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	469.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.8
59.01379	82.6
59.18393	1.8
61.98829	15.2
69.03444	1.9
69.92366	5.1
71.01380	50.8
73.02943	19.6
83.01392	3.6
85.02946	6.9
87.00869	2.5
89.02444	100.0
96.95966	2.0
97.02349	2.2
97.02954	3.3
99.00884	20.2
101.02444	39.0
109.02924	2.4
113.02448	6.9
119.03508	7.2
120.25714	1.7
125.02435	8.3
131.03496	19.8
135.04529	10.6
137.02440	58.3
138.02727	2.6
143.03522	2.4
149.02536	3.8
149.04558	76.0
150.04909	2.3
153.05617	2.7
161.02496	2.2
161.04564	7.7
165.01877	6.9
173.84485	1.8
179.03517	7.7
180.04225	2.2
191.03722	3.2
191.05621	15.2
195.06656	7.7
207.06606	4.2
221.06754	5.3
225.07637	3.1
234.05319	7.2
238.03699	1.9
249.06607	1.9
251.07745	8.3
277.12888	5.5
307.08255	28.3
311.09924	4.4
337.09106	2.5
409.17142	58.9
410.17581	4.2
429.55426	2.3
431.11963	5.5
469.13190	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	469.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.2
62.14260	1.1
63.35667	1.1
65.64294	1.3
66.72884	1.1
68.52655	1.2
69.77115	1.4
71.01385	2.9
89.02454	3.1
98.22712	2.1
101.02426	2.2
117.03423	1.4
133.02957	1.5
134.03751	6.5
135.04510	12.1
137.02438	2.5
151.00322	1.6
161.02438	4.2
171.03877	1.3
178.02710	2.9
179.03476	7.0
239.03326	1.7
240.04335	2.8
249.09462	1.4
268.03763	96.2
269.04465	37.8
270.04422	7.1
289.07144	8.6
409.20798	1.7
431.09808	100.0
432.10104	11.0
433.10287	14.5
433.24579	1.4
469.11185	2.1
469.16690	1.9
469.22028	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	469.221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79609	6.2
55.83678	6.0
59.01366	19.6
61.98829	10.4
69.24594	34.6
71.01376	12.6
72.82919	7.0
73.02950	6.5
89.02439	14.9
90.31888	7.0
93.03476	9.2
98.80022	6.0
133.02911	7.8
137.61833	6.4
161.02502	9.5
325.36606	8.2
377.10681	7.6
428.04974	6.8
433.24493	27.3
469.15851	12.3
469.22018	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	469.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65092	0.3
54.36956	0.3
57.03452	0.9
59.01375	3.0
60.01395	0.4
61.98834	0.9
69.03463	2.7
69.98928	0.5
69.99277	1.0
71.01386	0.5
71.05046	1.1
71.77287	0.4
83.05045	0.5
85.06588	0.4
92.63135	0.4
92.69263	0.4
93.03452	0.5
95.05048	0.5
97.06632	0.4
108.05769	0.6
124.80542	0.3
125.09747	0.7
125.87299	0.5
127.87067	0.4
130.85004	0.4
135.11810	0.8
149.09702	0.9
150.04179	0.4
151.00468	0.6
160.84204	1.1
161.13234	0.6
162.83928	1.5
167.10794	3.9
167.62770	0.4
177.12874	1.8
179.03519	0.6
179.10799	1.7
179.14404	3.1
185.37791	0.4
195.13893	11.9
205.12337	11.0
206.12692	0.5
211.13464	0.5
223.13388	100.0
224.13716	3.8
225.11507	0.6
245.11575	16.2
246.11978	0.6
286.04593	0.6
419.56799	0.4
451.28464	1.0
469.25546	22.3
470.25958	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	469.3319
Annotation	Melianone
Peak:m/z	Relative Intensity
59.01362	0.4
61.98820	0.3
64.84865	0.4
69.30684	1.2
78.95881	0.4
92.92789	0.5
97.06548	0.3
145.69275	0.3
154.43961	0.3
172.88002	0.6
216.62682	0.3
241.21695	2.6
289.21661	1.0
295.22906	0.5
317.77322	0.4
393.27969	3.3
407.29623	3.6
408.29990	0.4
409.31082	3.0
421.31024	0.7
423.32675	69.9
424.33008	5.8
425.34332	2.3
469.33221	100.0
470.26697	0.5
470.33524	9.4
475.97644	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3322
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
51.46499	0.8
54.23343	0.7
55.95328	0.7
56.28581	0.7
63.12539	0.8
66.77110	0.7
67.80971	0.8
68.10385	0.7
73.79128	0.7
76.62440	0.7
78.25862	0.7
78.95899	1.8
89.70411	0.7
123.38996	0.7
127.61948	0.8
130.37877	0.7
152.99591	1.6
196.00404	0.8
241.21741	4.4
243.33932	0.8
255.23279	3.6
311.16788	1.4
320.25415	0.8
424.11649	0.9
469.33218	100.0
470.33548	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	469.3684
Annotation	Combretanone G
Peak:m/z	Relative Intensity
59.16319	0.6
65.99809	0.7
69.38408	1.5
69.38783	1.3
96.96005	2.5
99.99381	0.8
104.66707	0.6
108.59473	0.7
117.51643	0.6
234.61929	0.7
270.67282	0.6
339.26917	2.1
469.36847	100.0
470.37213	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	470.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.2
58.00567	2.0
59.01377	84.0
65.37443	2.0
69.03448	4.7
70.78950	2.1
71.01380	73.6
73.02942	9.6
78.02312	2.1
81.03445	3.3
83.01384	4.5
85.02940	8.6
87.00852	3.3
89.02444	100.0
95.01352	2.7
97.02942	12.0
98.22672	5.6
99.00872	11.1
101.02426	14.9
111.00872	2.6
113.02464	7.6
115.04020	8.1
125.02449	48.0
131.03465	15.7
132.82404	3.1
133.06599	37.2
143.03523	4.5
149.04524	19.1
161.04533	4.2
191.05600	10.8
233.06627	26.1
293.08789	97.0
294.08963	3.0
412.37735	2.2
427.15970	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	470.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76767	1.2
58.00620	1.3
59.01379	64.5
69.03457	4.2
71.01380	61.4
73.02951	9.3
75.00858	2.4
78.12392	1.4
81.03449	4.4
83.01389	4.0
85.02941	7.0
87.00838	1.7
89.02443	74.6
95.01369	2.9
97.02952	12.3
98.22613	3.1
99.00882	8.6
99.04501	1.5
101.02442	12.8
101.74773	1.4
108.40511	1.3
113.02448	9.4
115.04010	6.4
119.03512	2.0
122.82519	1.2
125.02454	35.4
126.02770	1.7
131.03502	12.7
132.05797	1.9
133.05670	2.0
133.06604	30.8
143.03534	2.8
149.04558	18.7
161.04570	3.5
191.05632	10.9
233.06674	26.5
291.10287	1.3
293.08786	100.0
294.08978	2.4
353.85239	1.5
427.16174	9.4
432.60028	1.6
470.26102	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	470.262
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99370	0.5
58.02972	2.6
66.39113	0.5
69.15744	1.2
69.16147	2.5
73.04065	4.6
74.02477	19.7
82.06603	1.4
87.05648	7.5
93.03463	0.6
94.82652	0.6
97.04068	0.5
97.81100	0.5
101.07210	0.9
107.01395	0.8
109.04090	1.3
110.02470	2.4
111.05637	1.0
112.02820	1.0
112.04030	1.0
118.17884	0.6
119.05048	3.0
120.05325	1.0
126.06738	5.4
126.09245	2.1
127.05141	1.9
129.06702	7.2
129.10376	3.4
130.08736	2.0
139.08743	1.2
140.07179	2.6
141.06715	0.7
141.10364	1.2
143.08263	0.8
143.10814	0.8
143.11905	11.9
144.07790	20.8
151.00385	4.3
151.08760	1.1
152.00597	0.7
153.10333	0.5
158.09325	1.4
168.07802	11.3
168.11417	0.9
169.09792	2.9
186.08842	22.3
187.09335	0.8
187.10857	3.2
196.14600	0.7
197.16599	1.6
199.18152	0.9
200.13925	1.0
212.14000	0.9
214.15508	0.8
225.16096	2.2
256.20316	12.5
257.20490	0.7
268.03555	0.6
269.04114	1.4
271.06100	9.8
272.06448	8.2
273.06689	0.6
278.18750	0.7
281.16162	1.1
282.18039	0.8
292.85617	0.7
299.17191	0.6
300.19174	0.6
313.22485	4.4
351.24112	0.6
384.26315	1.5
395.23215	0.7
426.27054	0.8
428.25055	0.9
432.10254	2.0
434.11511	0.8
470.26202	100.0
471.26590	8.5
486.04813	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.08
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49802	0.4
59.01377	2.3
65.90622	0.4
69.03442	1.1
71.01387	1.6
72.77939	0.4
74.81771	0.4
78.95898	7.5
79.95745	2.9
85.02904	0.5
89.02452	1.1
93.03458	0.5
96.96009	100.0
96.96925	14.7
97.02936	1.9
100.97354	0.4
101.02427	1.3
103.04037	0.4
112.93269	0.4
113.02386	0.5
114.93386	0.5
119.03507	0.5
119.05032	0.6
123.04546	0.7
125.02529	0.4
129.01945	1.5
133.02953	3.3
134.03731	0.6
135.04482	2.5
138.01949	0.7
143.88367	0.4
147.03003	1.5
147.04456	0.4
149.06145	0.7
161.02446	4.1
163.04008	1.5
170.99770	0.5
177.01929	1.1
178.02747	1.1
179.03497	2.6
193.05028	3.3
194.99770	2.0
213.00848	2.0
216.82202	0.3
221.04460	0.6
231.90144	0.4
238.98781	2.4
265.04056	0.7
273.05246	0.4
281.06729	0.5
291.01804	0.9
323.07669	1.2
341.08783	2.0
373.11398	1.2
411.18854	1.7
471.15076	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1142
Annotation	Aesculetin-6-O-beta-D-apiofuranosyl-(1->6)-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
54.64542	0.3
57.16816	0.3
59.01378	1.5
61.98828	0.5
70.10205	0.6
71.01385	0.9
75.11164	0.3
77.55511	0.2
79.81133	0.3
81.03483	0.4
85.02944	0.5
89.02442	0.7
89.03983	1.7
92.99162	0.3
96.96016	0.4
98.22655	0.4
101.02431	0.9
104.02679	0.4
105.03469	3.0
113.02502	0.5
118.70930	0.3
130.07315	0.3
133.02959	8.2
134.03749	0.5
148.01657	0.6
149.02393	0.8
149.06134	0.4
161.02435	0.9
176.01187	1.1
177.01930	100.0
177.17087	0.3
178.02251	2.9
193.05054	1.1
265.00821	0.3
279.14413	0.6
291.32611	0.4
411.18759	1.4
471.11328	18.4
472.11594	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87580	0.8
52.91713	0.8
53.47113	0.7
58.69684	0.8
59.01376	40.3
60.57124	0.7
69.03445	1.0
69.19006	2.6
69.19412	2.0
71.01379	18.3
72.99295	1.3
73.02949	1.4
82.95418	11.8
83.01382	1.2
83.05000	1.1
85.02936	3.5
87.00904	1.3
89.01925	1.5
89.02436	18.5
95.01360	1.4
101.02439	16.2
101.06120	1.0
105.03465	1.2
107.04998	0.8
111.04517	1.8
113.02455	6.9
119.03512	7.9
125.02501	0.9
127.04015	1.2
129.05574	15.3
132.02144	1.6
133.02956	23.0
134.03751	1.6
135.04512	9.4
147.06635	3.3
160.01614	1.0
161.02440	74.2
162.02779	3.3
163.07765	1.1
163.93523	0.9
177.01901	1.0
177.05565	2.5
179.03467	7.1
191.05598	2.2
193.05020	0.9
221.04492	2.4
232.11986	0.8
251.05666	1.6
281.06644	2.4
309.11887	100.0
310.12189	3.5
323.07843	1.1
341.08856	1.8
397.11581	1.0
425.20123	1.2
471.15048	68.4
472.15186	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	471.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99234	0.1
55.01877	1.3
57.03453	1.2
58.00605	0.3
59.01380	18.8
59.92738	0.1
60.01717	0.1
60.90100	0.2
61.98831	1.2
69.03452	0.7
69.37805	0.6
71.01382	24.4
72.01730	0.3
72.42242	0.1
72.99320	0.8
73.02945	10.2
74.03300	0.1
75.00870	0.4
81.03457	0.4
83.01384	3.5
85.02952	11.5
86.00111	0.6
86.03292	0.3
87.00877	3.4
87.04518	1.6
89.02446	6.1
95.01392	1.3
95.08456	0.1
97.02972	0.9
99.00882	2.5
99.04539	0.2
101.02448	17.1
102.02834	0.3
103.03369	0.3
103.04012	2.6
111.00922	0.1
113.02457	12.0
114.02778	0.2
115.04025	3.3
119.03524	1.3
119.04995	0.1
121.02939	0.5
122.03741	0.3
125.02456	1.2
127.04039	0.3
129.01987	0.3
131.03514	2.8
133.03001	0.1
137.17522	0.1
143.03508	6.6
145.05075	0.7
147.04535	0.8
148.05312	100.0
149.05612	2.6
159.03001	2.3
161.04567	25.5
162.04927	0.5
163.07651	78.3
164.07970	2.7
191.05658	0.3
203.05606	0.3
205.07170	6.1
206.07597	0.2
242.54173	0.1
247.09804	0.3
269.57816	0.1
307.10370	1.3
325.12964	2.0
471.18698	16.1
472.19095	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99607	18.8
59.01379	21.8
61.98819	8.0
71.01387	17.9
73.02955	5.2
78.31181	2.1
85.02952	7.8
87.00885	14.7
89.02452	12.4
93.64838	1.9
97.02863	1.8
99.00832	3.4
101.02449	13.3
102.98601	100.0
112.33969	2.0
113.02440	7.8
119.03485	4.7
125.02431	5.5
130.08707	2.5
131.03467	2.5
135.04512	7.0
149.04533	3.6
161.04575	4.8
163.04190	2.2
173.04465	3.1
179.03467	3.0
191.05652	4.3
249.06128	6.7
269.04483	3.4
283.04938	67.3
284.05276	3.0
285.04221	2.2
337.59793	2.7
406.85004	2.1
435.22229	15.2
471.20044	7.9
471.25961	7.3
471.31354	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	471.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51261	0.4
55.01888	0.6
57.03447	1.0
58.00586	0.5
59.01381	32.3
61.98818	1.0
67.01875	0.8
67.83559	0.4
70.77581	0.6
71.01382	14.1
72.99305	0.7
73.02930	0.9
75.00892	0.4
83.01385	0.9
83.05008	0.6
85.02956	4.7
87.00894	0.5
89.01930	0.7
89.02448	12.9
95.01393	0.9
95.05026	0.8
97.02935	1.2
97.06613	0.5
99.00903	0.4
101.02443	8.0
109.06540	0.6
111.08163	3.1
113.02451	4.4
119.03502	3.8
119.08668	1.1
135.04561	0.7
137.09741	4.4
141.66348	0.4
143.03432	0.5
151.00543	0.4
152.23264	0.4
158.80717	0.4
161.02342	0.5
161.04462	0.6
167.10744	1.0
171.10275	11.1
177.12779	0.5
179.10767	0.6
185.11807	0.8
191.05592	0.7
195.13916	2.6
211.13362	0.9
226.13779	0.5
247.20609	1.1
256.85593	0.4
273.18518	1.2
291.19656	15.8
292.19986	0.7
305.86673	0.4
309.20636	1.5
453.24692	0.6
471.25958	100.0
472.26373	8.3
482.06497	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.9
59.01380	29.1
60.46378	1.2
61.98817	2.6
67.00271	1.0
71.01383	18.8
73.02949	1.7
80.91663	1.3
85.02946	5.0
89.02444	8.4
99.00857	1.6
101.02455	9.9
113.02458	4.1
119.03481	2.0
125.73350	1.0
137.37251	1.1
148.99365	1.3
151.11259	3.2
161.04588	2.0
162.83929	2.5
163.11278	1.3
181.12277	1.3
197.11853	8.3
199.13472	1.5
209.11960	1.9
211.13397	23.1
212.13800	1.1
227.12859	1.1
255.34973	1.1
291.19666	30.5
309.20691	4.8
379.08981	1.2
436.06799	1.5
471.25879	100.0
471.31073	7.3
472.26324	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	471.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	38.5
59.38474	0.9
61.98813	3.6
71.01379	17.0
82.34185	0.9
83.01369	1.1
83.05012	1.0
84.99175	1.0
85.02941	4.0
89.01926	1.2
89.02452	13.8
95.01410	1.8
95.05069	1.1
97.02937	1.0
101.02428	8.9
101.09622	1.1
106.20119	1.0
111.08154	2.8
113.02440	4.4
119.03498	3.2
119.08620	1.3
125.02409	1.7
137.09717	4.9
151.00232	1.2
161.04512	1.1
171.10248	9.9
179.05753	1.4
179.10750	1.1
185.11867	1.2
195.13924	2.6
211.13397	1.7
246.53503	1.1
259.22580	1.1
273.18512	1.5
291.19659	13.9
309.20749	1.2
394.55344	1.1
415.10861	1.1
471.25937	100.0
472.26376	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	471.2753
Annotation	Paeonenoide A
Peak:m/z	Relative Intensity
57.03450	5.7
59.01378	34.9
61.98819	2.8
67.94749	1.1
69.44491	6.0
77.71060	1.2
83.05029	3.0
94.10983	1.1
96.28062	1.4
125.87330	4.6
126.88153	1.8
160.84215	37.1
162.83887	2.7
164.83578	1.7
189.09232	1.6
196.08942	1.2
203.14505	1.6
219.17566	4.2
245.15468	2.3
288.88702	1.3
337.21625	3.0
343.22577	2.2
349.25299	7.2
351.23279	2.1
367.26395	10.5
383.29477	1.7
409.27374	1.5
411.25259	6.7
427.28406	4.8
436.08737	24.4
471.26764	100.0
472.06134	1.7
472.27051	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	471.3116
Annotation	Kuguacin Q
Peak:m/z	Relative Intensity
60.35445	0.5
61.98832	1.1
63.28934	0.5
71.01360	0.8
71.45251	0.5
71.45686	0.6
97.06654	0.5
110.28712	0.6
117.73636	0.5
125.87245	1.0
144.29832	0.6
160.56981	0.5
160.84216	9.2
162.83931	7.2
162.89317	0.7
164.83633	1.8
167.10696	0.6
199.09671	0.8
202.63681	0.6
207.10225	0.8
293.04892	0.7
329.02438	1.3
348.95526	0.5
377.28485	1.0
394.99197	0.6
435.08142	0.7
436.08621	4.7
453.30264	1.7
465.37967	0.6
471.31137	100.0
472.01797	0.8
472.31445	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	471.3113
Annotation	Camphoratin B
Peak:m/z	Relative Intensity
59.01368	2.9
61.98818	2.1
69.41805	1.0
69.42148	3.2
71.01376	1.0
71.05019	2.2
82.75876	0.8
93.03469	0.9
109.06609	0.8
125.87354	1.7
127.87038	2.0
128.87828	0.9
141.01732	0.8
160.84212	10.1
162.83916	26.5
164.83563	3.8
220.36311	0.7
225.11212	0.9
227.12823	0.8
289.18134	1.1
301.02673	0.7
329.02493	4.9
329.16742	2.5
330.02808	2.7
331.02219	2.0
358.22968	0.8
360.09631	0.8
367.00055	1.3
377.28534	2.6
379.29959	1.1
390.25406	0.9
391.26276	1.4
407.29556	4.8
411.28949	2.2
433.05859	1.5
434.06876	3.0
435.07474	4.0
436.06845	5.6
453.30063	26.5
454.30319	2.2
471.31143	100.0
472.31531	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	471.3468
Annotation	3alpha-Hydroxy-2-oxofriedelane-20alpha-carboxylic acid
Peak:m/z	Relative Intensity
59.01372	0.9
60.48574	0.9
67.42708	0.9
69.52410	3.9
73.02938	1.3
73.09942	0.9
74.19875	0.8
74.57670	0.9
85.02940	1.3
87.04514	5.6
97.07400	0.9
143.07152	9.1
173.08241	1.0
229.41414	0.9
254.24896	2.1
255.23244	2.4
296.25894	2.3
310.27515	1.5
398.32675	1.6
407.33032	1.3
425.33890	1.6
427.35770	22.5
428.33524	7.7
429.33893	1.2
453.33478	1.5
471.34772	100.0
472.35110	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	471.3476
Annotation	3alpha,27-Dihydroxy-28,20beta-taraxastanolide
Peak:m/z	Relative Intensity
59.01347	0.7
69.99986	1.3
71.04980	0.9
96.96004	2.6
97.06593	4.9
111.98010	0.4
111.99812	0.4
116.92860	0.5
123.68285	0.4
154.91768	1.6
162.83868	1.0
176.90012	1.2
191.59366	0.4
374.26434	0.5
375.26663	0.8
377.28476	0.7
389.28485	1.7
391.30023	5.4
392.30573	0.6
405.31522	5.9
407.33173	13.1
408.33667	0.7
423.29333	1.0
425.34274	0.7
437.30756	0.9
439.32245	1.1
441.33813	3.8
442.34521	0.5
451.32156	16.0
452.32550	1.3
453.33725	68.5
454.34219	5.7
471.34778	100.0
472.35062	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	471.3476
Annotation	Odoratone
Peak:m/z	Relative Intensity
63.68064	0.2
69.50436	0.8
69.50840	0.5
93.44154	0.2
107.29163	0.3
134.99423	0.3
189.65150	0.3
355.87839	0.3
374.46118	0.3
393.31442	0.8
405.31747	0.6
453.33633	0.3
471.34766	100.0
472.35126	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	471.3478
Annotation	Odoratone
Peak:m/z	Relative Intensity
54.71448	0.2
69.96004	0.4
84.75078	0.2
152.82663	0.2
225.30505	0.2
393.31680	0.5
423.32806	0.7
471.34753	100.0
472.35135	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	471.3478
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
51.35265	0.2
69.23674	1.1
160.84227	0.6
199.93845	0.2
241.32152	0.2
301.51672	0.3
423.32697	0.3
471.34760	100.0
472.35101	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	471.3477
Annotation	Hispidone
Peak:m/z	Relative Intensity
59.01368	1.3
61.98832	0.6
69.52069	0.5
69.52406	1.4
71.05015	0.6
97.06572	2.8
98.21882	0.5
141.01666	0.8
151.22733	0.4
160.84200	3.3
161.02379	0.7
162.83923	9.3
164.83623	3.2
183.11296	0.4
209.11722	0.5
229.94232	0.5
265.72089	0.4
280.21561	0.4
291.87057	0.4
298.10239	0.4
389.28381	1.2
391.30081	4.0
405.31873	3.6
407.33167	8.8
408.33600	0.8
423.28928	0.7
424.29184	0.5
441.33746	2.3
451.32159	9.3
452.32584	0.7
453.33707	40.0
454.34128	3.3
471.05045	1.8
471.34766	100.0
472.04614	3.1
472.35080	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	471.3476
Annotation	Hispidone
Peak:m/z	Relative Intensity
55.75737	0.7
58.99867	0.7
59.01381	1.8
60.99309	1.2
61.98840	1.8
70.97256	0.6
71.03320	0.7
71.05004	1.1
83.05032	1.1
125.87360	3.7
139.88869	1.0
141.88670	1.0
160.84215	21.5
162.83934	6.9
163.84108	0.9
164.83611	5.1
183.87929	1.1
196.88672	0.9
215.07437	0.7
259.70120	0.7
275.01648	0.8
407.33069	7.1
409.31024	1.9
411.32663	2.7
425.34293	3.1
427.35651	1.7
436.08792	14.3
453.33792	1.2
471.03195	2.3
471.34824	100.0
472.35223	10.2
497.51801	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3479
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
51.13634	0.3
51.84257	0.3
53.45814	0.3
57.56278	0.3
58.92876	0.3
61.98832	0.4
67.00684	0.3
69.28993	0.8
69.29401	0.7
69.89406	0.2
85.06586	0.9
87.84550	0.3
106.28859	0.3
107.13171	0.3
116.92856	0.6
201.01540	0.3
221.84100	0.3
256.43066	0.3
373.27435	1.9
423.11929	0.3
471.34769	100.0
472.35083	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	472.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47577	0.5
51.92309	0.5
53.02017	0.5
58.19213	0.5
59.01375	1.5
61.98821	1.8
70.11311	1.5
70.43128	0.4
89.97217	0.5
102.70573	0.6
103.92020	0.7
122.89439	1.2
125.87328	2.6
126.10847	0.5
126.88130	1.5
127.87025	5.1
128.87830	2.2
141.01706	1.4
141.88663	0.7
143.86545	0.8
146.06895	0.5
154.89349	0.6
157.86310	0.8
159.86015	1.4
160.84200	3.6
162.83914	100.0
163.83937	0.9
197.11789	0.9
198.88286	1.1
209.57156	0.5
233.11458	1.1
287.01508	4.3
289.01135	1.9
293.04776	2.3
301.02908	0.9
303.02481	0.7
309.20648	1.1
322.99097	1.6
324.98898	2.9
329.02444	6.5
331.02310	3.0
434.07208	21.3
435.07864	1.0
436.06909	40.0
437.07379	3.1
471.27585	1.0
472.04578	2.1
472.27859	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	472.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.7
61.58075	0.6
61.98822	1.5
71.01390	0.6
103.92025	0.8
109.06570	1.1
117.61189	0.4
124.89158	0.8
125.87319	3.5
126.88077	1.3
127.87029	5.3
128.87817	2.2
141.86842	0.8
141.88564	0.7
143.86458	0.8
147.94525	0.5
157.86333	1.0
159.86020	1.4
160.84215	8.3
162.83910	100.0
183.88040	0.7
196.88815	0.6
197.11876	1.1
198.88374	0.9
199.13356	0.6
207.10234	0.7
219.09799	0.7
229.25200	0.6
229.28577	0.6
249.05838	0.6
287.01443	4.4
289.01187	2.8
290.01871	0.7
293.04807	2.7
301.03018	1.2
322.98895	1.5
324.98846	3.2
329.02396	5.1
331.02032	2.8
407.33026	2.5
408.33539	0.8
434.07169	22.4
435.07559	1.3
436.06903	42.7
437.07224	3.2
454.29947	0.6
471.30676	1.8
471.35794	0.8
472.04605	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.8
61.98831	100.0
69.03445	0.7
69.64648	0.8
70.89085	0.3
71.01393	1.0
72.88962	0.3
73.02962	0.5
75.00867	0.4
75.18295	0.2
80.91673	0.3
85.02935	0.4
87.00831	0.2
89.02440	1.4
96.96018	2.7
96.96951	0.4
101.02478	1.0
102.51011	0.3
103.04662	0.2
109.02967	0.8
111.00914	0.6
113.02481	0.3
115.36130	0.3
119.03513	0.4
120.82919	0.2
121.03028	0.3
123.04580	0.3
133.02989	0.8
134.03723	0.3
135.04521	6.6
135.05481	0.4
137.02487	0.5
149.04630	0.3
149.06081	0.5
161.02492	1.4
163.04048	0.3
177.02032	0.7
177.05602	1.1
178.02356	0.7
179.03502	6.4
191.05685	0.6
193.05070	0.4
194.05499	0.4
213.00827	0.3
221.04573	1.8
221.76508	0.2
229.04013	0.3
273.65784	0.3
281.06699	0.5
311.07303	1.4
341.08890	0.6
373.11810	0.4
383.09689	0.3
393.86365	0.3
473.13065	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	55.6
61.29698	0.9
69.03446	4.6
69.46643	4.2
71.01006	1.8
71.01380	24.5
72.99284	1.0
73.02929	2.4
83.01401	1.0
85.02940	6.3
87.04487	1.3
87.25288	1.0
89.02438	35.7
92.61192	1.1
95.01382	2.4
101.02438	22.1
106.12457	1.0
113.02442	10.9
113.13084	0.9
117.03450	1.0
119.03498	18.6
122.66780	1.0
131.03488	2.3
133.02919	9.7
134.03741	2.1
135.04524	40.7
143.03459	1.1
149.04573	2.2
149.06062	7.5
161.02431	43.9
161.04491	2.1
162.02783	1.1
177.05566	15.0
179.03491	42.7
202.54085	1.0
221.04546	18.3
227.53336	1.2
251.05557	6.6
281.06592	10.9
311.09811	100.0
312.10104	2.8
341.08664	3.7
385.65295	1.2
455.11810	5.7
473.12903	86.8
474.13708	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	473.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88625	0.7
59.01380	6.0
60.58143	0.7
61.98808	1.7
62.55527	0.7
68.79082	0.6
69.03448	0.9
70.02913	0.7
70.97385	0.8
71.01357	3.6
73.02943	0.9
75.00824	0.7
76.45107	0.7
83.01359	1.2
85.02927	1.5
88.12746	0.8
89.02435	3.6
96.95963	2.9
99.00816	0.7
101.02400	3.1
106.01059	0.7
109.02948	20.5
111.00132	0.8
111.00874	8.0
113.02486	0.7
119.03448	1.3
120.87490	0.7
121.02909	1.8
121.06577	1.5
122.02464	1.5
123.04467	0.9
125.49065	0.7
130.04204	0.8
131.05020	1.5
133.02908	2.6
134.03671	1.1
135.04523	30.8
137.06062	1.2
143.05074	3.5
146.03703	1.8
147.04517	4.0
148.05289	1.4
149.02388	1.8
149.06078	21.3
151.03903	1.5
158.03685	1.0
159.04475	4.8
160.05275	1.4
161.02448	6.3
161.04729	1.1
161.06058	9.9
162.03258	5.1
163.03978	4.9
163.07544	1.4
164.04778	1.8
165.05591	5.6
171.04514	4.0
172.05170	0.8
174.03191	2.7
175.03937	2.1
176.04695	0.9
177.05560	82.2
178.05882	2.5
179.03500	17.2
179.05208	1.1
179.05695	0.9
180.01192	2.4
181.04944	0.8
187.03827	0.7
188.04744	2.0
189.05560	74.7
190.02698	1.6
190.05952	2.3
191.03491	1.9
191.05437	1.2
193.04921	1.0
201.05524	2.7
203.03461	2.0
207.06607	12.3
219.06589	1.8
221.04536	44.2
222.04735	1.7
231.06642	4.1
231.18642	0.8
232.04265	1.9
239.05560	2.2
249.07678	5.7
251.05545	2.0
267.08670	7.2
281.06552	2.2
311.07678	100.0
312.07993	4.1
341.08777	1.5
351.10861	6.7
383.09634	5.3
395.10004	3.4
413.11234	1.3
414.20087	0.8
473.12997	24.9
473.19803	1.6
474.11276	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25289	2.0
59.01380	72.6
61.02087	1.7
61.37239	1.9
61.98808	6.3
62.37399	1.6
63.78775	1.6
69.03450	5.0
69.26963	11.3
71.01382	32.4
71.96876	1.8
72.99306	1.9
73.02940	11.7
73.49700	1.6
75.42040	1.7
82.46652	1.7
83.01350	2.4
84.93868	2.2
85.02973	9.1
87.00864	2.1
89.01929	3.5
89.02444	53.7
93.03436	3.3
95.01312	2.4
96.95997	5.1
97.02941	4.3
98.95565	7.1
99.00861	3.6
99.92597	13.1
100.92743	2.0
100.93334	12.8
101.02452	34.5
103.04024	1.9
113.02461	16.4
115.92091	12.0
116.92861	13.6
119.03510	19.7
125.02395	2.4
131.03516	23.5
133.02951	19.6
134.03717	6.8
135.04533	59.8
137.02448	1.7
141.93555	2.0
143.03441	2.2
143.04984	2.1
147.04503	3.3
149.04536	6.0
149.06085	10.2
161.02458	84.7
161.04550	5.9
161.05972	2.5
165.05479	4.6
167.07166	2.9
167.95135	1.8
177.01913	2.2
177.05573	17.8
179.03508	76.9
179.05466	6.2
179.06921	3.8
180.01186	8.0
180.03773	2.3
189.05527	5.0
216.06555	3.6
220.99138	2.0
221.04570	29.7
221.06512	2.2
232.04320	9.5
244.97536	2.4
251.05594	29.9
253.65651	1.9
264.97903	7.6
281.06671	43.4
282.06946	3.3
284.20477	2.3
292.97540	2.0
293.08704	6.2
293.98038	2.1
305.13559	1.8
311.09857	100.0
312.10129	1.9
323.07745	3.4
341.08765	50.3
342.08829	3.8
383.09671	7.3
411.03906	3.8
413.10693	8.2
437.01697	2.7
440.20377	2.1
455.12061	3.9
473.05057	3.1
473.12854	95.4
474.12494	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	473.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.9
61.98830	1.2
69.48198	2.0
71.01388	3.4
73.02935	1.8
85.02943	1.2
87.00875	0.7
89.02451	3.8
101.02444	3.6
107.05058	1.2
109.02914	0.6
113.02460	1.1
115.80415	0.5
117.03482	0.8
119.03538	0.9
131.03503	1.2
133.02950	4.6
134.03728	3.8
135.04523	94.2
136.04849	3.0
137.02423	0.8
149.06050	1.4
161.02448	17.3
162.02754	0.6
163.04077	0.5
164.76805	0.5
177.05580	4.0
179.03488	100.0
180.03850	2.1
182.30989	0.4
192.63107	0.4
203.03453	0.5
212.18105	0.5
221.04550	7.2
236.27026	0.5
251.05586	7.1
281.06644	10.4
311.09952	4.4
323.07620	0.7
341.04678	1.0
341.08716	9.8
342.09042	0.9
383.09799	2.8
395.09872	1.6
413.10828	1.9
428.74075	0.5
431.15460	1.0
473.12979	23.4
474.13223	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	22.9
59.04500	1.1
61.98818	3.1
69.03459	2.1
69.24995	4.3
71.01380	12.2
72.99277	1.4
73.02941	2.0
76.44997	1.2
83.01398	1.5
85.02958	6.4
85.41785	1.3
87.00890	2.7
89.02451	9.1
93.03472	6.1
101.02441	6.8
109.02970	2.8
113.02452	2.3
117.03417	1.4
119.03522	2.2
121.02945	2.6
125.02413	1.7
133.02968	18.5
133.06647	1.5
134.03729	6.1
135.04529	80.5
136.04846	2.9
137.02435	3.5
146.03706	1.3
148.05301	6.0
149.04744	2.6
149.06088	16.5
150.03217	2.0
151.00366	1.3
161.02452	69.8
161.04562	3.2
162.02835	2.4
163.07668	2.2
164.07932	1.7
165.05600	3.8
170.51509	1.6
173.04620	3.1
177.05574	31.8
179.03500	100.0
179.97220	1.1
180.03822	2.8
191.05630	12.1
201.76579	1.2
203.03474	3.5
221.04543	48.3
223.06482	1.8
251.05611	45.9
251.49950	1.5
252.06013	1.6
261.09894	1.1
269.04581	9.7
281.06662	83.5
282.06940	2.0
284.03278	1.3
285.03891	4.2
293.08914	2.0
305.06671	1.6
323.07651	3.0
341.08759	44.4
468.52795	1.4
473.14703	2.3
473.27280	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	17.1
61.98848	1.0
69.61640	2.8
69.65678	0.8
71.01379	8.7
73.02946	2.2
75.54278	0.8
78.95909	0.9
82.95418	1.9
83.01407	0.8
85.02946	2.6
86.66515	0.9
87.00870	1.6
89.02444	13.5
90.64039	0.8
93.03433	1.1
96.96039	1.2
98.22627	0.8
99.00871	1.7
101.02453	7.5
113.02449	4.0
117.03471	25.4
119.03611	1.6
119.05028	20.6
121.02997	0.8
131.03534	2.2
133.02924	1.4
133.06638	1.2
134.03705	1.5
135.04498	3.8
145.02957	100.0
146.03300	3.5
149.04520	4.9
149.06097	0.9
151.04053	0.7
161.02437	3.9
161.04843	0.9
161.06081	4.5
162.03175	1.0
163.04007	34.4
163.05365	1.9
165.05595	0.9
165.07681	3.1
171.55504	0.8
175.04048	1.2
177.05521	5.0
179.03506	2.0
179.07124	1.2
183.88489	0.8
189.73303	0.7
191.05603	1.9
201.11362	2.9
205.04982	5.2
209.11861	2.6
223.05833	0.8
224.32684	0.8
235.06015	1.8
265.07190	3.1
267.69116	1.0
297.07654	5.1
309.12268	0.8
311.09918	2.7
325.07132	1.7
349.84845	0.8
353.06705	11.9
383.07816	2.2
455.16821	1.0
473.10934	10.7
473.16754	75.4
474.11224	1.1
474.16962	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	473.2158
Annotation	Terretonin D
Peak:m/z	Relative Intensity
50.26885	4.4
51.53820	4.5
59.01368	23.6
59.20049	5.4
60.01244	4.1
61.98831	7.3
70.46240	6.1
70.46577	4.9
71.01391	25.0
73.02958	7.6
75.16180	4.5
81.73081	4.3
85.02940	10.5
89.02436	17.0
95.07767	4.7
99.00916	5.8
101.02454	24.3
110.36596	5.0
113.02434	10.6
135.04465	6.9
149.04446	4.9
161.02484	6.6
161.04675	8.3
179.03326	5.2
235.70325	4.6
305.19705	12.5
437.18091	7.1
437.23926	100.0
438.23627	9.9
473.21600	80.4
473.27768	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	473.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.8
57.03438	1.5
59.01377	17.9
61.98818	1.1
64.48582	0.5
69.55984	1.7
71.01007	1.1
71.01378	14.9
71.04993	0.7
72.99278	0.8
73.02945	4.6
83.01404	2.8
85.02959	7.5
86.00087	0.6
87.00874	3.5
87.04510	2.8
89.02441	4.9
95.01383	1.6
98.22823	0.6
99.00864	1.6
99.31520	0.6
101.02441	11.0
103.05515	0.8
113.02464	4.9
119.03497	0.9
121.06603	7.2
144.81415	0.7
147.04529	8.1
148.05307	22.8
149.05669	0.9
161.04523	1.4
161.84306	0.6
162.27443	0.7
162.83884	0.8
163.07652	17.8
164.83606	0.7
165.05602	1.4
209.15584	0.8
223.17050	14.2
223.19160	0.6
235.16887	1.0
250.40123	0.6
275.20197	1.6
287.73074	0.6
293.21243	5.2
308.79355	0.6
309.09796	3.0
311.22250	12.3
312.22461	1.4
379.49423	0.6
401.10077	0.7
455.26401	2.0
473.27533	100.0
474.27954	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
57.03412	1.1
59.01377	37.0
59.60830	0.8
59.74937	0.7
61.98814	2.9
63.48398	0.8
69.40389	3.9
71.01015	1.4
71.01380	19.4
72.99274	1.7
73.01630	0.8
73.02928	1.6
83.01385	1.9
85.02934	5.0
89.02446	12.4
95.01414	0.9
101.02444	10.0
113.02447	6.9
113.09718	2.4
119.03500	4.4
121.02941	4.1
127.51285	0.8
134.58267	0.9
139.11278	2.2
143.03479	0.9
171.10243	3.5
183.13846	1.5
203.25713	1.0
223.16960	3.0
235.17032	2.9
251.85091	0.8
268.03604	1.1
275.20020	4.7
293.21219	15.4
311.22275	4.8
313.07050	0.9
401.08627	2.2
449.57947	0.9
473.27515	100.0
474.27927	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	473.327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.0
61.98821	2.2
96.31930	0.7
97.02943	2.2
115.48097	0.6
123.25328	0.7
127.87036	1.0
132.71382	0.6
132.87166	0.6
141.01683	1.8
162.83917	8.9
164.83627	5.3
211.13454	1.1
245.11607	0.8
291.19568	0.7
309.20691	1.3
391.20111	1.6
395.29486	1.2
435.07181	1.2
436.07123	1.5
437.07144	2.0
438.06601	1.2
455.31659	1.3
473.32718	100.0
474.33148	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	473.327
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
59.01393	0.6
61.98817	0.7
68.88070	0.3
69.33302	1.7
74.38688	0.3
160.84235	0.7
162.83881	1.5
164.83748	0.4
168.12547	0.3
193.03050	0.4
392.08939	0.3
407.29358	0.4
436.08173	0.3
438.08615	0.5
473.32712	100.0
474.33072	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	473.3271
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
50.76076	0.2
59.01377	0.3
61.98826	0.4
70.92554	0.3
73.02934	0.5
79.24310	0.2
79.73737	0.2
101.87915	0.2
162.83952	1.4
164.83598	1.0
207.10077	0.3
211.13382	0.3
246.27914	0.2
300.44836	0.2
313.17789	0.5
330.02744	0.3
367.99927	0.2
375.71744	0.2
398.10538	0.2
407.29367	0.2
436.07181	0.2
437.07123	0.4
473.32690	100.0
474.33023	9.2
474.39929	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
56.98006	3.9
57.03453	1.8
58.99577	3.3
59.01378	100.0
60.97528	12.0
61.98819	1.6
66.03461	1.8
67.01872	1.5
68.99805	3.9
69.03449	10.1
70.02919	1.6
71.01025	2.6
71.01382	42.5
72.99298	2.8
73.02929	2.2
74.99084	3.0
85.01226	1.5
85.02953	10.4
87.00850	4.6
89.02445	52.1
93.03419	2.5
94.02965	3.7
95.01358	4.1
97.02837	1.5
97.93317	1.3
98.21860	3.7
99.92548	2.7
100.02232	2.2
101.02444	27.3
101.93326	2.2
103.05517	3.3
106.71428	1.4
112.04021	3.9
113.02442	14.4
115.92010	1.6
116.04993	2.5
116.92068	1.6
116.92857	1.8
117.80302	1.3
119.03497	21.5
120.04540	2.1
121.02950	1.6
122.02489	16.3
123.04510	1.5
125.08868	1.4
130.06538	2.0
131.03502	3.2
135.02737	2.6
135.04475	4.7
136.04880	2.2
138.01924	1.9
142.06599	3.2
143.03447	4.2
144.04514	5.3
146.06110	8.8
147.04498	2.7
149.02393	1.7
149.04564	1.8
152.01743	1.9
153.99658	4.2
161.00554	2.0
161.02371	4.7
161.04489	4.1
162.02681	2.0
162.05588	2.7
163.02208	7.9
164.03494	3.5
170.06075	5.6
172.04005	5.4
172.07646	3.5
174.05533	2.4
177.00198	1.7
179.03461	4.7
179.05534	7.8
179.07050	3.6
179.93199	1.6
180.01248	71.7
180.03717	3.5
181.01555	1.8
183.03214	2.7
186.05569	6.8
186.07001	1.6
188.07166	10.3
190.00877	2.7
190.03233	6.5
190.05031	7.4
192.06631	2.1
194.02806	1.7
197.04686	1.9
198.02213	5.6
198.05605	12.2
199.06374	2.8
201.04282	4.4
204.04802	5.1
205.03392	1.9
212.07228	2.0
216.04794	1.7
216.06667	29.5
230.02721	2.5
232.04362	75.1
233.04628	3.7
240.06647	2.2
242.01149	4.1
250.05310	6.2
252.05774	1.9
258.07599	6.2
268.06427	1.9
311.09830	2.2
312.05307	4.0
312.10101	2.2
341.37918	1.4
358.48618	1.5
378.11719	2.0
412.10626	3.6
430.11594	3.6
474.10587	55.7
474.18079	2.5
475.10529	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	474.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19152	1.6
56.98039	9.6
58.99600	4.4
59.01380	83.4
60.97522	8.2
68.22093	1.6
68.99823	3.3
69.03458	10.1
69.66460	7.0
70.02986	2.0
71.01012	2.9
71.01381	37.8
72.99303	2.4
73.57857	1.9
74.99084	1.8
85.02975	8.4
87.00860	1.7
89.02447	38.7
94.02975	7.3
95.01379	3.3
101.02448	21.7
102.98606	1.8
103.05550	2.4
112.04034	4.9
113.02425	15.9
118.03085	2.2
118.98019	3.9
119.03501	20.5
119.05005	2.4
122.02483	46.7
123.04579	2.0
142.06586	3.9
143.03474	2.1
144.04523	4.2
146.06090	6.4
147.04527	2.1
153.99701	2.3
161.02441	2.5
161.04506	2.3
162.05602	3.3
163.02188	5.2
170.06084	4.8
172.04039	5.1
172.07658	3.2
173.04823	2.9
174.05516	9.3
179.05647	9.9
180.01251	75.5
181.01529	2.3
186.05609	3.7
188.07144	4.9
190.03419	3.7
190.05113	8.5
192.06720	4.7
198.02341	3.7
198.05580	5.8
201.04361	3.5
204.04881	3.2
216.06599	15.1
232.04379	64.2
242.01277	5.2
244.06046	2.1
250.05388	4.9
258.07639	3.4
261.70068	1.9
294.04401	8.2
311.07587	2.3
312.05328	11.1
374.55188	2.1
412.10703	6.8
474.10733	100.0
475.11057	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	474.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47223	0.3
69.87052	0.5
69.87380	0.6
78.95902	100.0
90.19652	0.3
93.24120	0.3
96.96962	8.3
102.50412	0.3
109.78457	0.3
112.62601	0.3
120.47282	0.3
140.01160	0.9
149.93935	0.3
152.98540	0.3
152.99585	15.4
171.00642	16.5
196.03841	0.6
214.04861	0.4
216.30257	0.4
250.34453	0.3
260.74362	0.3
264.10184	0.3
277.21710	5.0
278.22083	0.3
289.51254	0.3
310.57065	0.3
400.22580	1.2
474.26239	65.2
475.26575	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	474.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56597	0.2
53.98457	0.2
59.01377	1.0
71.01374	0.2
71.08484	0.3
78.95905	17.4
83.05029	0.3
84.26005	0.2
96.96960	1.0
105.95647	0.2
122.00146	0.3
140.00220	0.3
140.01198	2.6
151.79630	0.2
152.99606	2.8
162.83905	0.6
171.00681	2.3
196.03784	1.3
214.04846	3.2
233.22830	0.3
236.24527	0.2
259.20667	0.4
275.20425	0.3
277.21716	100.0
278.22061	5.1
353.98450	0.2
438.08414	0.4
445.86642	0.2
445.93634	0.2
474.26242	16.7
475.26718	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44359	0.3
50.44593	0.4
54.10025	0.3
59.01382	8.2
69.09438	1.6
71.01378	5.1
73.02953	0.5
80.68930	0.3
85.02956	1.0
87.00855	0.8
89.02444	4.6
95.01412	0.3
96.96001	0.4
98.95597	0.3
99.00863	0.4
101.02434	4.0
105.03461	0.9
113.02482	1.7
117.03468	1.1
119.03490	1.4
132.02158	1.0
133.02960	28.0
134.03780	1.6
135.04527	17.7
136.04807	0.6
136.45131	0.3
149.04553	0.6
149.06065	0.8
151.04042	1.5
151.06104	1.7
161.02446	100.0
162.02773	3.1
177.05600	0.9
179.03506	12.5
180.03870	0.4
203.03435	0.5
221.04478	1.6
251.05562	0.9
281.06665	1.5
358.12537	0.3
457.13312	0.3
475.14554	56.9
476.14899	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	475.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	13.2
61.33238	0.7
62.24635	0.6
68.99802	0.7
69.03451	1.0
69.04477	0.7
69.88116	1.2
69.88481	1.5
71.01379	6.5
73.02937	1.2
85.02983	1.0
87.00879	1.1
89.02447	7.7
90.42212	0.6
96.53296	0.6
96.96012	1.2
99.00864	0.8
101.02442	5.0
107.05038	1.7
110.84857	0.7
113.02466	2.1
117.03426	1.1
119.03490	2.7
127.04009	1.1
133.02954	21.0
134.03769	5.8
135.04524	100.0
136.04848	2.5
149.77881	0.7
151.06119	2.4
161.02443	66.6
162.02765	1.8
179.03493	86.8
180.03868	2.1
313.11343	0.9
417.70313	0.7
475.14548	89.0
476.14609	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	475.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.7
66.10712	0.4
71.01387	3.1
73.02955	0.6
85.02930	0.8
89.02425	3.6
101.02445	2.8
105.03468	0.7
113.02457	1.3
116.86423	0.5
117.03470	0.9
119.03507	1.3
123.04558	0.6
132.02170	0.8
133.02953	24.0
134.03581	0.8
135.04521	14.3
149.06110	0.6
151.06129	1.2
161.02443	100.0
162.02786	2.0
177.05609	1.1
179.03490	11.7
221.04576	2.0
243.56277	0.4
251.05611	0.7
281.06686	1.8
475.14539	88.7
476.14813	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	475.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	16.1
69.27090	4.9
71.01382	17.7
72.99303	1.6
83.01405	1.0
85.02953	2.1
87.00847	4.3
89.02453	10.8
98.22655	1.6
101.02460	4.9
113.02443	2.9
114.44499	0.8
115.00376	17.0
117.03487	1.2
119.03495	3.6
132.02159	1.6
133.01430	39.2
133.02960	27.7
133.05066	38.9
134.03729	2.6
135.04520	36.2
151.06117	2.4
161.02440	100.0
162.02808	2.9
169.30966	0.8
177.05505	1.0
179.03496	29.3
187.65459	1.0
191.05647	1.9
198.92171	0.8
206.31027	1.0
221.04555	1.3
377.08618	1.5
415.14587	6.3
475.14572	87.9
476.14883	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	475.1611
Annotation	Kadsuphilin D
Peak:m/z	Relative Intensity
59.01393	3.4
61.98830	2.6
64.28832	0.5
65.03970	1.0
68.99837	0.8
69.04420	0.6
71.01382	9.2
71.44061	0.6
73.02945	2.6
75.02398	1.2
83.01389	1.1
85.02951	4.2
86.29810	0.5
87.35596	0.5
89.02446	1.4
91.01891	8.9
92.02631	0.6
93.03456	15.8
95.01398	0.8
99.00877	0.8
101.02427	4.0
103.01933	0.6
105.03469	0.7
106.04231	1.0
107.05027	18.7
108.02159	0.6
108.05315	0.6
113.02446	2.7
119.01376	3.8
120.02194	2.0
121.02957	28.0
122.03290	0.8
123.04482	1.0
131.05048	1.4
132.05814	2.2
133.02931	1.5
133.06595	85.4
134.06938	2.3
135.04544	1.1
136.01656	0.9
137.02478	0.9
140.88115	0.6
149.02483	1.3
151.04012	9.7
153.05577	5.9
161.02397	1.1
161.04570	1.2
165.01921	3.7
179.03496	29.2
180.03896	0.7
183.13843	0.9
193.04961	0.7
197.04568	0.7
221.04430	0.7
223.58046	0.5
224.99712	0.6
244.80124	0.6
245.02673	0.9
277.85263	0.6
289.08017	0.7
295.22610	0.8
304.88361	0.5
313.23862	1.5
341.08707	3.7
443.13248	0.7
475.16092	100.0
475.28815	9.2
476.16495	6.3
503.68857	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91371	0.9
54.69572	0.8
57.03438	3.1
59.01076	1.0
59.01376	16.3
66.70647	0.9
71.01376	23.1
71.43946	1.0
71.63319	0.8
72.99303	2.6
73.91080	0.9
77.19774	0.8
85.02955	3.0
87.00878	6.0
87.04514	1.9
89.02442	16.1
101.02458	6.0
113.02435	3.5
115.00370	14.3
117.03501	1.5
119.03515	3.3
125.84472	0.8
128.04329	0.9
133.01424	36.1
133.02957	29.6
133.05067	89.5
134.03699	3.6
135.04521	47.9
136.04869	1.9
149.04561	2.3
149.49257	0.8
151.06120	2.3
161.02440	100.0
162.02789	3.0
177.05556	1.7
179.03491	39.8
179.05107	1.4
180.03784	1.2
191.05562	1.9
221.04535	1.5
227.89035	1.0
281.06528	1.7
313.11227	1.4
415.14435	7.7
475.14523	94.9
476.15100	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	475.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67229	1.0
59.01380	100.0
61.80744	1.0
68.99818	9.8
69.03458	12.0
69.14120	6.0
71.01381	30.0
72.99285	1.0
73.02939	5.1
78.44902	1.1
83.01422	1.2
85.02950	5.0
87.00886	2.2
89.02446	44.7
93.03461	1.1
95.01379	2.5
95.05001	1.5
97.02946	1.3
99.00881	4.5
101.02446	40.8
102.98611	1.9
105.03463	3.4
107.05026	4.5
113.02460	8.6
114.70228	0.9
115.00349	1.5
115.04019	1.5
117.03438	1.2
119.03498	11.0
121.02904	1.1
121.06611	4.6
123.04529	4.0
125.02441	4.2
131.03490	3.1
132.02115	1.5
133.02968	14.4
135.04572	6.1
143.03516	2.4
149.04549	6.5
151.04013	1.6
151.07600	1.3
153.05513	2.0
155.03496	4.4
161.02448	38.4
161.04584	3.1
165.05501	1.1
177.01956	1.2
179.03468	4.3
179.05603	6.7
183.06601	17.6
191.05589	8.1
233.06538	2.5
253.10828	11.3
293.08719	7.6
323.07626	3.8
359.07968	4.8
369.08386	1.3
415.15997	2.8
431.13620	9.0
457.11530	1.9
475.12500	11.9
475.22446	1.3
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
55.01870	3.7
57.03441	3.3
59.01379	77.0
60.52217	0.9
60.99289	2.3
62.15404	1.2
63.29749	1.0
68.99813	3.1
69.03448	3.2
71.01381	44.9
71.01781	2.2
72.99306	1.4
73.02949	22.5
75.00871	4.8
81.03436	1.2
83.01391	14.9
84.95138	1.8
85.02951	23.7
86.03310	1.1
87.00875	37.0
88.98806	15.6
89.02442	17.9
93.03455	2.3
95.01391	2.7
95.05054	1.4
97.02946	4.3
99.00876	6.6
101.02448	52.1
103.04021	2.3
113.02452	19.4
115.00393	1.7
115.04005	1.3
116.92856	15.6
117.01920	2.4
119.03508	3.7
121.02940	1.9
123.04539	7.7
125.02446	5.7
129.02031	1.4
135.04477	1.2
143.03433	2.9
153.00125	2.1
153.05560	1.8
155.03508	2.3
159.02969	3.5
161.02432	2.1
161.04552	25.2
163.06171	2.3
178.65044	1.0
253.10748	2.3
260.75546	1.1
269.10306	54.6
270.10556	2.9
282.83740	1.0
307.10349	1.2
355.14346	1.1
359.08151	2.2
415.16101	100.0
416.16650	6.0
431.15384	1.8
457.13446	1.5
475.18143	3.5
488.50705	1.2
496.69003	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	475.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	25.6
61.98819	14.4
69.60683	16.6
78.95903	8.6
92.79729	4.8
98.22582	9.6
135.32333	5.4
141.01726	10.4
162.83905	100.0
163.83955	11.8
164.83624	54.4
178.83354	4.9
223.13417	4.9
243.85968	4.9
247.87021	5.1
277.21780	10.9
279.23273	19.8
299.19772	10.2
307.30008	4.6
315.19394	14.4
333.20459	17.0
386.97458	13.4
387.96838	10.5
474.35931	14.7
475.24915	6.6
475.36197	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	475.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21149	20.3
59.01366	40.9
61.98817	66.8
63.91749	21.0
69.20461	81.0
69.20856	54.6
78.95905	52.1
111.00851	29.5
204.61693	20.4
277.43491	21.8
279.23306	100.0
287.73026	21.6
302.44302	21.5
357.67700	23.8
469.58163	24.0
474.35672	42.3
475.24802	25.9
476.27765	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	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01722	0.6
69.76554	1.4
71.01382	7.1
73.02966	1.9
80.74428	0.5
83.01385	0.9
85.02943	4.0
87.00894	0.9
89.02431	3.2
93.03467	1.3
95.01381	0.8
98.21873	0.7
99.00886	0.9
101.02459	4.8
113.02420	3.2
116.92863	0.7
119.03508	1.5
133.02968	1.0
135.04559	0.9
159.03024	0.6
161.02496	2.9
161.04555	6.7
162.02716	0.6
172.05371	0.6
173.80124	0.5
179.03491	0.9
179.05669	0.9
191.05626	5.7
199.04016	0.8
227.03488	1.0
281.10303	9.6
281.60507	2.2
283.13437	1.5
341.14841	0.7
345.19308	3.8
415.23355	7.2
474.66425	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37988	0.5
55.01896	0.5
57.03444	0.5
58.05391	0.5
59.01380	100.0
60.01724	0.6
65.00318	1.3
69.03458	0.9
71.01385	10.2
72.99300	1.1
73.02956	2.3
83.01395	1.6
85.02941	4.0
89.02451	5.7
93.03477	1.8
95.01384	0.6
99.00890	0.7
101.02447	7.9
101.58015	0.6
102.59437	0.5
107.01402	1.1
108.90330	0.5
109.02961	0.6
113.02456	4.5
116.56207	0.5
118.98114	2.4
119.03517	2.9
123.04588	0.8
125.02435	0.7
133.02942	2.5
135.04539	4.8
136.04886	0.7
137.02452	3.6
139.03918	0.5
143.03500	0.7
149.02434	0.6
149.04570	0.8
150.03235	1.0
151.00381	3.9
159.03001	0.9
161.02466	8.6
161.04536	6.6
162.02815	0.9
165.05557	0.6
173.04561	2.8
179.03497	2.5
179.05672	1.5
181.54474	0.4
191.05672	5.0
227.03511	1.1
239.34250	0.5
265.07553	4.1
267.07230	0.7
281.07559	0.9
281.10263	4.0
281.60577	1.1
283.13336	1.0
285.03998	1.1
338.82306	0.5
345.01385	0.5
345.19156	3.7
415.23355	7.9
474.66580	0.7
475.08951	0.8
475.16177	2.3
475.25378	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	475.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	31.9
60.17710	21.9
61.98824	86.2
69.65453	100.0
69.65788	31.1
78.95890	61.9
82.65109	25.7
96.93558	22.6
116.39276	29.0
277.21701	41.1
279.23303	76.5
415.65955	28.3
475.37753	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98820	17.6
66.62811	7.8
68.99870	7.8
69.03450	23.7
69.14948	19.4
69.15360	24.0
70.70413	7.4
71.01382	47.4
72.04074	7.1
79.69511	8.8
85.02950	18.7
87.00915	7.0
89.02441	51.0
91.93137	7.3
101.02454	48.7
113.02473	16.7
119.03495	24.1
124.01681	14.8
125.02457	19.2
149.93420	8.2
155.10776	9.2
161.02444	25.6
161.04611	12.4
162.02785	10.3
162.10692	7.7
168.00618	27.8
169.27444	6.9
179.03532	7.7
191.05598	30.8
246.98228	8.1
271.02454	20.9
299.02014	35.9
314.04224	10.6
315.05060	7.2
378.82092	8.4
415.23349	8.8
433.24377	17.6
477.10196	57.1
477.19659	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	476.278
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.80616	0.2
59.01368	0.4
61.98817	0.7
63.20997	0.1
64.11279	0.2
64.60732	0.1
69.76601	0.3
69.76952	0.4
74.02277	0.2
78.95900	27.0
94.26414	0.2
94.26952	0.2
96.96960	1.6
97.56375	0.1
98.22646	0.3
101.50951	0.1
103.26182	0.1
109.77781	0.1
109.88753	0.1
109.91151	0.1
122.00119	0.3
140.01180	2.6
152.99576	4.0
166.83310	0.3
171.00630	3.4
183.63583	0.2
190.23619	0.2
196.03801	1.0
214.04848	2.9
227.80750	0.2
261.22327	0.3
279.23273	100.0
280.23633	5.8
280.26031	0.2
367.38980	0.2
402.24146	0.4
476.27795	23.6
477.28110	1.9
489.72610	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2782
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
51.78931	0.2
61.98814	0.2
63.77467	0.2
78.95904	100.0
96.96958	7.9
104.86491	0.2
107.23801	0.2
109.88739	0.2
129.43932	0.2
140.01187	0.3
150.98033	0.4
152.99593	16.6
171.00641	17.6
172.00983	0.4
214.04794	0.5
246.06172	0.2
279.23309	1.2
402.24240	1.6
476.27795	57.4
477.21762	0.4
477.28085	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1038
Annotation	Dracunculifoside B
Peak:m/z	Relative Intensity
55.01875	0.7
57.03449	0.5
57.43809	0.5
59.01382	8.5
61.10665	0.5
65.82359	0.5
69.39146	1.1
69.39536	1.4
70.86840	0.5
71.01383	9.5
73.02952	3.0
83.01387	0.8
85.02947	2.5
87.00892	0.6
89.02448	7.1
95.01345	0.6
98.21913	0.7
99.00880	3.2
101.02450	5.8
108.02171	30.4
109.02953	30.1
110.03304	0.7
113.02467	2.9
117.03421	0.6
119.03512	1.0
121.02923	0.8
123.00909	0.6
123.04524	1.0
131.03510	3.0
132.02158	1.0
133.02951	17.5
135.04521	7.6
149.04514	1.8
151.04004	1.2
152.01152	52.3
153.01933	35.7
153.02869	0.6
154.02336	0.7
161.02444	45.7
162.02757	1.2
163.04016	1.3
165.01947	1.0
177.01732	0.5
177.05673	0.7
179.03510	4.6
191.05585	1.6
212.67183	0.6
315.07233	44.6
316.07480	2.1
323.07697	1.7
433.11337	3.3
433.20563	0.7
477.10318	100.0
477.19696	23.5
478.10751	6.2
478.20193	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.1
57.03447	2.4
58.00576	1.6
58.99592	1.7
59.01378	93.9
60.99285	2.2
61.98807	3.5
69.03442	5.7
71.01379	58.9
71.89600	1.6
72.99290	5.1
73.02948	19.6
83.01383	4.9
85.02950	14.8
87.00857	7.6
88.98787	7.9
89.02448	61.0
93.03439	3.1
95.01381	2.9
97.02945	5.3
97.43608	1.7
99.00874	22.3
101.02442	34.9
102.98615	2.2
107.05019	2.2
109.02983	1.8
111.00935	2.2
113.00638	2.1
113.02434	20.0
115.03944	1.7
119.03481	9.7
120.99648	39.5
121.02937	1.9
125.02444	4.4
131.03510	10.3
133.02974	8.6
134.03720	6.2
135.04524	11.8
135.99870	12.2
139.11230	2.0
143.03528	2.7
147.02837	1.8
147.04558	2.7
149.04553	17.2
149.05986	7.6
153.01933	2.8
156.99683	1.8
161.02446	26.0
161.04552	5.6
165.02437	2.8
165.03784	27.7
179.03476	3.3
179.05553	3.4
183.10309	10.1
191.05565	13.8
193.05034	5.3
197.08179	1.8
209.02751	2.6
220.65555	1.8
233.06767	1.9
293.08780	2.2
297.13522	1.9
300.09949	4.1
315.12259	11.5
323.07687	5.0
324.08066	1.6
345.15491	14.9
373.11249	4.9
439.21817	1.9
441.13843	3.5
477.10767	62.3
477.19672	100.0
478.10809	3.4
478.20306	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	477.1403
Annotation	Calceolarioside B
Peak:m/z	Relative Intensity
50.38664	0.4
59.01373	1.6
68.33358	0.4
71.01383	1.3
85.02941	0.9
85.84512	0.4
86.07635	0.4
89.02463	1.2
93.03476	0.5
95.05038	0.6
101.02451	1.3
105.65820	0.4
109.02993	0.6
113.02435	0.8
122.03749	0.8
123.04528	43.1
124.04864	0.8
132.02171	1.1
133.02960	24.9
134.03673	1.4
135.04535	16.0
136.04861	0.7
137.02437	0.5
145.56155	0.5
153.02016	0.9
153.05579	42.2
154.05891	0.7
161.02446	100.0
162.02751	2.9
175.03970	0.4
177.05565	1.6
178.02745	0.4
179.02003	0.8
179.03508	10.2
179.05080	0.6
221.04607	2.5
221.06471	0.4
242.33984	0.4
251.05537	0.5
263.05609	0.7
315.07565	0.8
315.10635	2.3
323.07703	34.7
324.07990	1.6
477.14056	38.4
477.19434	1.7
478.14386	2.6
503.01050	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	38.9
61.98821	19.7
69.39100	20.8
71.01385	30.6
73.02936	9.8
85.02950	8.4
89.02478	8.8
93.03386	6.7
98.22706	4.4
99.00873	5.5
101.02456	21.9
113.02448	16.4
119.52992	5.0
125.30363	5.2
131.03452	5.2
133.06599	61.1
135.04495	17.4
145.02892	6.6
161.02423	7.9
161.04556	26.2
179.03479	16.7
187.61766	4.9
205.07138	5.6
281.60428	6.4
295.11917	5.9
403.67264	5.0
441.17703	100.0
442.18381	6.7
477.14648	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71606	1.2
55.01872	1.9
58.99335	1.1
59.01384	52.3
65.03931	1.4
67.01886	4.5
68.99818	3.4
69.03460	15.2
70.02717	2.6
71.00993	2.2
71.01377	19.7
72.99313	34.9
73.02943	4.9
77.03981	1.3
78.95911	2.5
79.95727	3.0
83.01387	1.5
85.02959	3.2
85.18880	1.1
86.91297	1.2
87.00871	9.2
88.01202	1.7
88.98801	3.3
89.02447	15.2
93.03466	8.7
95.01388	1.4
95.05026	10.0
96.96017	96.9
96.96913	6.8
97.02931	2.1
99.00883	25.9
101.02447	24.3
103.00410	1.6
103.01485	5.0
105.03456	12.3
107.05035	6.3
109.02954	2.3
113.02451	5.3
117.01956	7.2
119.03485	3.9
119.05037	1.4
119.47196	1.2
121.02947	4.3
121.06593	4.3
123.04524	3.5
125.02433	2.0
127.04041	6.4
131.03488	1.4
133.02997	6.8
133.06587	5.5
137.02443	1.5
137.06122	2.1
138.01855	3.1
139.03996	5.5
149.02513	1.4
149.04565	2.3
151.04010	10.6
153.01868	1.2
153.05583	57.1
154.05920	1.5
161.04533	7.3
165.05582	6.4
166.06352	16.8
169.05063	4.3
177.01991	1.2
177.05574	3.3
179.05644	2.0
181.08698	25.3
191.05617	2.4
191.07162	1.4
195.06642	1.6
209.04561	26.0
221.08170	3.7
227.05637	7.1
235.08321	3.0
239.09300	5.8
261.19653	1.5
264.37390	1.2
297.09787	5.7
315.07114	3.2
341.64447	1.3
359.83008	1.4
401.14395	3.2
417.17499	2.3
436.01334	1.3
445.13766	9.8
459.15170	1.4
477.16064	100.0
478.16418	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	477.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.8
59.01378	18.4
59.72999	0.7
65.03957	2.6
67.01876	3.3
68.99818	4.1
69.03456	12.7
69.13767	3.2
69.77772	0.8
71.01378	10.8
72.99308	31.1
77.03959	0.7
79.05501	0.9
81.43973	0.7
83.01398	1.0
85.02908	1.4
87.00855	1.5
88.98772	1.2
89.02451	8.6
93.03458	8.9
95.01341	1.4
95.05035	9.3
96.96004	2.4
97.02943	1.2
98.93223	0.7
99.00881	23.1
100.53818	0.7
101.02453	16.0
105.03461	12.6
107.05019	4.9
113.02452	4.1
117.01956	7.7
119.03494	2.8
120.26843	0.7
121.02959	2.3
121.06570	3.3
123.04499	3.2
127.04005	5.0
133.02959	6.7
133.06598	4.5
137.02422	1.3
137.06082	2.2
138.02037	1.7
139.04086	3.6
139.80777	0.8
149.02397	0.7
149.04443	0.8
151.04015	9.8
153.05576	46.9
154.05922	1.2
161.04494	0.8
165.05554	6.5
169.05070	2.9
177.01920	2.0
177.05565	2.9
179.05594	0.7
191.05635	0.7
195.02953	0.8
195.06610	1.2
196.19664	0.9
203.07164	1.2
209.04572	22.8
210.04857	1.3
213.04059	0.9
221.08154	4.7
227.05629	5.8
239.09267	5.1
263.09442	0.8
264.51019	0.9
265.07266	0.9
268.41089	0.7
297.09811	6.5
388.78891	0.8
401.14487	3.2
445.13513	8.3
459.14944	1.2
477.16110	100.0
478.16550	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	477.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	1.3
57.03440	1.9
58.99602	3.5
59.01381	74.9
59.87153	0.8
60.86047	0.8
61.98823	1.6
69.03455	4.6
69.49734	3.4
71.01381	44.9
71.87720	1.2
72.99316	2.2
73.02949	12.7
75.00870	1.2
80.50103	0.8
81.03442	1.1
83.01382	4.4
85.02947	12.5
87.00894	4.9
88.98795	4.5
89.02446	50.3
93.03455	1.9
95.01419	2.3
96.00356	1.0
97.02950	7.9
99.00881	16.3
101.02439	30.4
102.98595	1.9
111.00886	1.4
113.00672	2.2
113.02457	14.6
119.03516	8.5
119.05040	1.3
120.99660	37.1
123.04544	2.5
125.02437	2.9
131.03497	7.5
133.02951	2.6
134.03741	1.8
135.04507	3.3
135.99886	11.8
137.04326	1.0
141.01953	1.6
143.03491	1.8
147.02731	1.5
149.02544	1.0
149.04549	14.5
149.06067	4.1
150.01454	2.0
153.01906	1.0
153.05814	1.0
156.99655	1.9
161.02452	7.8
161.04550	3.3
165.03792	27.2
179.03406	1.9
179.05684	1.8
183.10289	8.2
191.05641	8.4
193.05066	4.9
209.02760	1.6
248.24734	0.8
253.05499	1.5
293.08856	1.2
297.04300	1.4
300.10114	1.5
311.09952	1.1
315.12381	5.8
323.07587	1.3
345.15500	12.3
355.10373	1.5
373.11301	5.6
439.21741	3.3
477.10721	73.5
477.19711	100.0
478.11145	3.9
478.20087	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	477.1976
Annotation	Eremopetasitenin C2
Peak:m/z	Relative Intensity
55.01889	1.6
57.03416	1.0
59.01379	31.1
60.05210	0.9
69.15589	5.5
71.01379	26.8
73.02944	14.8
83.01385	2.9
85.02943	9.9
87.00881	1.1
89.02446	30.7
89.03009	1.5
95.01373	1.4
97.02966	1.8
99.00879	20.6
101.02435	21.5
102.02776	1.1
108.02177	1.6
109.02960	1.4
113.02453	6.7
115.03974	1.1
119.03510	2.0
125.02448	2.4
131.03516	4.7
143.03470	1.1
149.04568	7.1
152.01175	2.3
153.01915	2.5
156.36508	0.8
159.02908	1.1
161.02449	2.7
161.04547	3.2
169.38560	0.9
191.05530	5.0
301.16714	2.4
315.07217	4.1
345.15707	1.4
433.20746	1.2
477.09332	2.6
477.19760	100.0
478.20087	8.6
498.03012	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43067	0.2
53.91932	0.2
55.01858	0.3
57.03440	0.2
59.01381	6.6
60.01707	0.3
61.98827	100.0
66.65511	0.2
69.53018	0.4
69.53394	0.7
71.01379	4.0
73.02934	1.2
83.01412	0.4
85.02967	0.9
87.00900	0.2
88.98791	1.1
89.02438	4.4
90.02791	0.4
93.03475	0.6
95.01384	0.4
97.02996	0.3
99.00883	0.9
101.02440	3.4
111.04499	0.2
113.02479	1.0
117.13607	0.2
119.03482	0.5
123.04518	0.3
125.02461	0.4
126.38287	0.2
131.03523	0.3
133.03009	0.3
135.04526	1.0
140.48827	0.2
149.04546	1.1
150.04848	0.3
151.05037	0.3
155.03514	0.3
161.02481	0.8
161.04573	0.7
162.02794	0.4
173.04517	1.3
179.03476	0.4
179.05624	0.5
191.05600	1.0
194.07678	0.2
217.69258	0.2
254.57867	0.2
293.08664	0.3
299.39917	0.3
304.11960	0.4
347.17126	2.1
350.97934	0.2
418.17178	0.4
478.19363	0.8
479.12421	0.4
479.13742	0.4
479.21103	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	478.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
55.86613	0.4
55.90208	0.4
59.01382	9.1
60.01729	0.5
61.01808	0.4
61.98832	100.0
71.01379	3.6
71.47120	0.5
73.02948	0.8
76.41815	0.4
80.42025	0.4
83.01353	0.6
85.02288	0.4
85.02968	1.6
85.05314	0.4
87.00902	0.5
87.72533	0.5
89.02469	1.7
93.03468	1.1
99.00921	0.8
101.02451	2.8
108.02288	0.6
109.02973	0.5
111.62032	0.5
113.02473	1.5
125.02446	1.1
133.02972	1.1
135.04555	1.9
137.02475	0.8
151.00380	0.5
161.02504	1.6
161.04637	1.4
173.04539	0.8
179.03462	1.1
191.05685	1.8
250.10162	0.7
268.03897	1.0
269.04538	3.1
284.03305	0.8
285.04184	2.0
418.25305	3.4
450.80161	0.5
459.94528	0.5
478.27502	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2945
Annotation	MOPE
Peak:m/z	Relative Intensity
57.12030	1.9
61.98822	3.6
69.43595	10.1
78.95905	100.0
87.91437	1.9
96.96957	8.6
101.66301	2.2
133.25296	2.2
140.01186	2.9
152.99590	20.7
171.00639	20.8
171.04967	2.6
215.74570	2.7
249.97307	2.1
281.24866	91.3
282.25162	3.1
478.29382	74.2
478.35269	3.0
479.29950	5.6
483.28424	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88938	0.7
55.01877	2.0
57.03445	2.1
59.01381	100.0
60.01723	1.3
61.98831	54.9
62.98527	1.0
67.19849	0.7
67.27287	0.8
68.99804	4.3
69.03480	2.2
69.25883	3.7
71.01382	44.4
72.01745	1.0
72.99306	5.1
73.02950	14.5
75.00879	1.5
82.45659	0.7
83.01376	5.7
85.02957	13.9
87.00863	3.8
88.98814	2.6
89.02445	50.7
95.01374	6.4
97.02953	2.2
98.22674	1.7
99.00895	7.9
99.04532	1.6
101.02443	46.5
113.02460	16.9
115.03984	1.3
119.03506	14.9
121.03017	0.8
123.04546	7.1
125.02468	4.3
126.98579	1.4
131.03491	4.5
135.04546	1.6
137.02429	1.4
143.03488	4.0
149.04541	7.7
155.03513	11.7
159.02988	1.6
161.02428	2.2
161.04559	10.5
167.03545	0.9
171.10316	1.0
173.04501	0.7
179.05618	14.5
185.11839	2.9
191.05524	4.9
195.23233	0.7
216.44609	0.8
221.06618	0.8
225.07658	4.7
233.06648	2.1
255.23068	0.7
293.08716	1.8
303.18121	1.1
347.17090	29.1
348.17218	1.1
387.12860	1.4
401.89395	0.8
433.24384	1.8
479.12411	3.1
479.21182	87.9
480.21439	6.5
496.68445	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37220	0.4
55.01877	0.8
57.03442	1.3
57.44255	0.4
58.00589	0.7
59.01380	79.2
61.98832	24.9
64.52248	0.4
69.03439	1.1
69.42628	1.5
71.01382	50.8
72.01746	0.6
72.99298	2.0
73.02949	24.0
75.00872	1.3
81.03448	0.6
81.94713	0.4
83.01383	1.6
85.02953	6.2
87.00860	2.1
88.98811	1.0
89.02446	100.0
89.07845	0.4
90.02776	0.9
93.10170	0.4
95.01411	1.2
97.02953	1.8
99.00884	30.6
99.04539	0.5
100.01287	0.5
101.02448	37.5
102.02811	0.6
105.01958	0.4
113.02448	9.6
115.04002	1.3
115.92142	0.5
119.03504	6.7
125.02451	5.1
131.03505	16.8
132.03891	0.4
137.09778	0.5
143.03508	1.8
149.04559	63.5
150.04909	0.9
161.04593	3.6
179.05629	1.3
191.05630	14.9
192.05959	0.5
221.06689	4.4
229.87894	0.4
233.06657	1.7
247.11964	0.5
251.07718	6.1
293.08801	2.9
311.09814	0.7
321.63235	0.4
332.86905	0.4
347.17160	2.4
361.94492	0.4
372.42899	0.4
379.16025	0.8
433.15823	0.6
479.21338	26.7
480.21722	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	479.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.8
56.47173	0.7
57.03434	2.5
58.00577	0.7
59.01379	35.2
63.45551	0.7
69.03455	1.6
69.08909	1.1
69.09312	3.0
71.01381	27.9
72.99298	1.2
73.02558	0.9
73.02948	14.4
75.00852	0.8
83.01397	4.5
85.02956	10.1
86.00076	1.1
87.00864	1.8
89.02441	23.3
93.03442	0.9
95.01392	1.2
97.02922	1.1
99.00880	18.9
101.02445	25.9
111.00892	1.2
113.02447	8.5
115.12620	0.6
118.22686	0.8
119.03497	0.9
120.99673	1.0
122.02481	9.6
125.02440	5.7
131.03532	4.1
135.04538	0.9
137.02483	1.0
138.43945	0.8
146.70193	0.7
149.04559	4.3
151.00415	0.7
158.20071	0.7
161.02376	0.7
161.04602	1.3
167.10770	2.8
179.05562	0.7
185.11815	6.5
191.05592	8.8
193.45941	0.8
229.05066	1.0
247.99902	0.9
273.04037	1.6
293.08731	1.9
347.17087	54.4
348.17410	2.9
433.24341	1.0
479.21286	100.0
480.21530	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	479.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.6
57.03454	2.1
59.01377	26.8
61.98784	0.4
66.91273	0.5
69.03440	0.6
69.25752	1.2
69.26142	0.9
70.14368	0.4
71.01379	20.7
71.01777	1.0
72.99316	0.8
73.02941	9.0
80.66103	0.4
83.01382	4.4
85.02943	9.9
87.00868	1.7
89.02441	8.9
95.01402	1.0
97.02962	1.0
99.00883	3.0
101.02438	17.6
109.74136	0.4
111.00881	1.9
113.02435	6.4
115.03986	0.6
123.04533	2.1
124.04777	0.5
125.02435	1.7
131.03482	4.2
133.02924	1.4
135.04498	0.7
136.04840	0.5
143.03413	0.8
149.04538	1.1
152.16267	0.4
153.05540	1.4
154.05901	0.9
155.06070	0.5
157.88101	0.4
159.02966	0.8
161.02448	3.8
161.04547	2.3
162.02824	2.1
163.02936	0.8
179.03560	0.6
185.11806	1.0
191.05562	1.3
221.00539	0.4
228.95271	0.4
233.06679	0.6
282.50754	0.4
303.18201	2.4
323.07639	0.5
324.07965	0.5
325.08090	1.0
329.16138	0.6
338.26678	0.5
347.17053	4.3
435.22284	0.9
452.26019	0.4
479.21286	100.0
480.21695	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	479.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.0
57.03448	1.9
58.00584	0.2
59.01377	18.1
61.98819	0.7
69.03442	0.9
69.11329	1.2
71.01379	18.5
72.99311	0.6
73.02942	12.3
74.03257	0.3
75.00865	0.8
81.03442	0.3
83.01384	4.9
85.02945	10.1
86.00091	0.8
87.00875	1.2
87.77870	0.2
89.02443	5.0
89.18821	0.2
93.03401	0.3
95.01416	1.3
97.02932	1.3
98.21923	0.5
99.00879	3.4
99.04505	0.3
101.02441	19.3
102.02760	0.3
111.00881	1.0
113.02454	7.1
115.04028	1.1
119.03447	0.3
125.02432	1.6
129.01962	0.4
131.03505	1.0
133.02962	0.5
135.04491	0.4
137.02458	0.3
137.09740	0.5
141.01881	0.2
143.03513	0.6
149.04529	0.3
155.10793	2.7
159.03029	0.9
161.02455	1.4
161.04517	2.2
177.01894	0.5
178.82896	0.2
179.03523	0.4
185.11842	1.0
191.05632	1.0
199.09782	0.4
211.13535	0.4
227.08815	0.2
228.00513	0.2
230.82109	0.2
233.06506	0.5
273.04050	0.3
282.81561	0.3
303.18109	3.0
347.17090	3.6
433.24411	0.5
435.22446	0.5
461.20679	0.3
479.21286	100.0
480.21619	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	479.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
57.03448	0.6
58.00589	1.2
59.01380	80.0
61.98832	6.7
67.11603	0.5
69.03458	1.6
69.24123	2.2
71.01384	51.4
72.99305	1.6
73.02949	21.5
75.00885	1.5
81.03484	0.8
83.01376	1.2
85.02953	6.2
87.00897	1.6
88.98797	0.9
89.02447	100.0
90.02788	0.6
91.98035	0.6
95.01415	0.9
96.95995	2.4
97.02962	2.7
98.22607	1.3
98.95602	2.2
99.00887	29.3
100.01231	0.9
100.93352	2.6
101.02447	37.1
108.02208	0.6
113.02457	10.0
115.04026	1.4
115.92055	2.7
116.92851	2.7
119.03500	5.9
125.02447	6.8
131.03510	16.3
133.02983	0.5
143.03537	2.4
149.04556	65.4
150.03133	0.5
150.04845	0.7
152.41571	0.5
155.03461	0.6
161.02478	1.1
161.04573	4.2
166.42606	0.5
171.31386	0.5
179.05638	2.0
181.11070	0.6
191.05621	16.7
195.98714	0.5
220.49341	0.7
221.06635	3.8
233.06616	1.5
251.07750	8.0
279.59619	0.6
293.08908	3.0
311.09882	1.5
347.17178	1.5
379.16177	1.3
432.16101	0.5
479.21344	25.7
480.21500	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61285	0.3
55.01868	0.6
57.03437	1.5
59.01379	29.8
69.03449	1.1
71.01383	21.8
72.99303	1.0
73.02946	10.8
75.00880	0.7
83.01381	2.2
85.02943	5.2
86.73199	0.3
87.00890	1.2
89.02444	26.2
92.28824	0.4
93.03486	0.6
95.01369	0.7
97.02946	1.1
99.00880	21.0
101.02446	12.9
106.46834	0.4
109.02904	0.5
109.52538	0.4
110.00114	0.4
111.00897	0.5
113.02444	4.2
115.04031	0.6
119.03516	1.6
120.99627	0.6
122.02501	2.6
125.02440	5.4
131.03514	4.5
135.04507	0.8
139.11327	1.2
143.03494	0.7
149.04552	5.0
155.10719	0.4
161.02449	1.3
161.04581	2.1
167.10774	2.5
171.64607	0.4
173.04552	0.5
179.03491	1.0
179.05569	0.4
185.11842	6.1
191.05605	9.1
210.10092	0.4
216.97240	0.4
233.06586	0.8
247.99875	0.5
273.04080	1.5
281.06741	0.4
293.08698	1.0
317.19742	0.4
347.17130	13.7
348.17569	0.7
433.24268	0.8
479.21295	100.0
480.21701	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	480.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.0
61.98829	100.0
67.92790	0.5
68.91698	0.5
68.92085	0.6
71.43297	0.6
78.95882	0.5
95.81596	0.5
96.96046	0.8
121.36744	0.5
125.05050	0.5
152.99651	0.7
154.79114	0.5
226.37030	0.5
255.03029	1.5
261.36002	0.5
283.02499	2.4
481.25793	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.2
58.00595	1.6
59.01381	98.9
60.01705	1.3
60.81869	1.0
61.62179	1.0
66.12924	1.0
67.01864	1.8
69.03452	10.6
71.01383	51.0
72.99310	1.1
73.02944	3.6
75.00881	1.7
83.01387	1.6
85.02962	11.6
87.00887	2.0
88.31042	1.2
89.02448	57.4
93.03426	1.5
95.01381	3.3
96.79169	1.0
99.00927	2.4
101.02449	27.1
107.05017	1.8
108.02148	1.6
109.02951	4.7
113.02454	20.6
117.03436	1.2
119.03507	22.4
119.05020	2.6
119.90786	1.0
121.05334	3.0
123.04520	18.6
124.07670	3.1
125.02468	1.5
131.03514	3.0
133.02977	1.9
133.06541	1.5
135.04451	1.2
135.06938	4.4
136.07695	2.2
143.03482	2.8
149.04561	1.8
149.08485	1.6
150.03229	3.2
150.09247	100.0
151.09619	2.6
153.01964	6.5
160.07677	3.7
161.02461	4.5
161.04567	3.1
161.09770	1.1
161.99072	1.3
176.10834	7.0
179.03781	1.0
179.05603	4.9
186.09259	11.8
191.05637	4.0
204.10291	35.9
205.10542	2.2
212.10808	3.3
226.08769	2.2
227.09503	5.5
228.13921	4.2
230.08220	9.5
230.11798	11.6
238.12601	1.3
239.41135	1.1
241.11050	1.6
256.13425	81.1
257.13785	3.5
269.04474	2.2
274.14417	4.0
285.03958	1.5
299.05560	1.3
300.12427	40.9
301.12579	2.7
421.20859	2.5
422.66727	1.3
480.18820	10.4
481.22797	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02048	0.3
59.01379	1.6
61.98828	100.0
69.34239	1.1
70.07834	0.2
71.01384	0.7
73.02946	0.4
83.55634	0.3
85.02943	0.5
89.02441	0.5
101.02455	0.8
117.97133	0.3
133.02977	0.7
135.04564	0.6
149.04619	0.3
161.02419	1.5
167.08417	0.3
191.05643	0.4
203.65004	0.3
256.13541	0.3
283.02518	0.3
314.83957	0.3
481.17197	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53687	0.3
59.01383	0.9
61.98832	100.0
64.97254	0.3
71.01386	0.7
73.02969	0.3
85.02972	0.8
93.03453	0.7
95.56264	0.3
101.02440	0.8
113.02464	0.3
135.04547	0.4
137.02438	0.6
152.99475	0.4
161.02493	0.4
173.04620	0.5
191.05692	1.3
206.61583	0.3
269.04831	0.4
283.02325	0.3
285.03973	0.4
347.16983	0.5
409.60526	0.3
421.20828	0.8
445.20950	0.5
476.72299	0.3
481.17477	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62144	1.6
57.03439	1.7
59.01379	8.8
61.98803	5.8
69.03432	2.0
71.01376	5.6
71.09639	1.8
71.15807	2.9
73.02934	3.4
76.53996	1.8
78.95892	2.7
82.53426	1.7
85.02938	2.2
87.00914	1.8
93.03465	3.0
94.69141	2.0
101.02474	4.4
107.01364	2.7
113.55289	1.9
117.03456	5.9
133.02928	8.3
135.04521	4.9
137.02454	7.1
142.21109	1.6
147.04483	4.4
149.02425	1.8
151.00360	6.1
161.02435	3.4
167.10770	51.3
168.47519	1.6
173.04527	4.8
178.02733	2.0
179.03485	3.2
191.05635	3.6
200.53255	1.9
211.09749	100.0
212.10052	3.0
251.62234	2.0
255.02977	15.3
258.04105	2.0
269.04523	50.8
270.04935	3.8
283.02475	16.2
347.17081	14.3
353.19699	2.3
384.10526	7.9
481.14886	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	481.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91847	0.6
57.03458	1.0
59.01382	4.4
60.99307	4.9
61.98833	1.2
67.01893	13.9
69.03458	4.4
69.12567	3.1
70.74354	0.5
71.01383	5.6
71.05044	0.6
73.02931	1.1
75.60194	0.5
81.03459	3.6
82.82082	0.5
83.05040	1.9
85.02965	1.5
87.00880	20.4
89.02452	1.4
93.03463	100.0
94.03796	1.9
97.02944	0.7
97.06655	0.5
99.00898	1.7
99.04522	2.1
101.02428	0.9
108.02146	0.7
109.02931	0.9
111.04521	13.3
113.02445	2.2
115.03979	0.6
117.03447	1.1
125.02456	0.7
129.01958	2.5
133.02927	2.6
134.03763	11.3
135.04547	4.8
137.02428	2.1
145.02942	1.0
155.03563	3.7
161.02431	1.8
166.20700	0.5
173.04556	52.6
174.04926	0.6
177.01915	2.0
178.02737	8.4
179.03452	2.9
181.04993	0.5
182.84627	0.5
184.44392	0.6
191.05658	2.1
219.74226	0.7
255.02975	2.0
257.08221	0.7
268.03711	1.2
269.04596	1.8
275.09402	0.9
275.94427	0.7
283.02423	2.0
288.06406	2.6
304.55011	0.6
308.08914	0.7
352.07928	1.2
384.10651	1.1
431.09570	0.7
449.14520	51.2
450.14914	4.3
471.48849	0.6
481.17123	30.0
482.17819	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	481.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91847	0.6
57.03458	1.0
59.01382	4.4
60.99307	4.9
61.98833	1.2
67.01893	13.9
69.03458	4.4
69.12567	3.1
70.74354	0.5
71.01383	5.6
71.05044	0.6
73.02931	1.1
75.60194	0.5
81.03459	3.6
82.82082	0.5
83.05040	1.9
85.02965	1.5
87.00880	20.4
89.02452	1.4
93.03463	100.0
94.03796	1.9
97.02944	0.7
97.06655	0.5
99.00898	1.7
99.04522	2.1
101.02428	0.9
108.02146	0.7
109.02931	0.9
111.04521	13.3
113.02445	2.2
115.03979	0.6
117.03447	1.1
125.02456	0.7
129.01958	2.5
133.02927	2.6
134.03763	11.3
135.04547	4.8
137.02428	2.1
145.02942	1.0
155.03563	3.7
161.02431	1.8
166.20700	0.5
173.04556	52.6
174.04926	0.6
177.01915	2.0
178.02737	8.4
179.03452	2.9
181.04993	0.5
182.84627	0.5
184.44392	0.6
191.05658	2.1
219.74226	0.7
255.02975	2.0
257.08221	0.7
268.03711	1.2
269.04596	1.8
275.09402	0.9
275.94427	0.7
283.02423	2.0
288.06406	2.6
304.55011	0.6
308.08914	0.7
352.07928	1.2
384.10651	1.1
431.09570	0.7
449.14520	51.2
450.14914	4.3
471.48849	0.6
481.17123	30.0
482.17819	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	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28261	0.4
57.03441	1.5
59.01157	0.5
59.01384	6.2
60.99303	5.6
61.98822	3.6
63.05978	0.6
65.03989	0.7
67.01891	15.7
69.03455	4.9
69.25052	2.9
71.01382	7.8
73.02950	2.4
75.00879	0.7
78.21270	0.5
78.95911	1.2
81.03467	3.5
83.01385	0.7
83.05035	2.3
85.02961	2.3
87.00877	21.0
89.02448	1.6
93.03458	100.0
94.03800	1.6
97.02980	0.6
97.06607	1.5
99.00884	2.3
99.04521	2.1
101.02441	2.7
109.02950	2.4
111.04522	13.7
113.02431	2.9
115.04030	1.0
125.02383	0.6
129.01967	2.8
133.02959	2.2
134.03748	20.4
135.04538	3.2
137.02487	1.6
152.99597	1.5
155.03502	3.5
161.02441	2.5
173.04550	68.0
174.04883	1.0
177.01894	0.6
178.02763	4.7
179.03448	1.8
191.05612	4.2
231.10425	0.7
255.03102	2.7
275.09302	1.4
283.02533	1.6
307.11819	3.4
334.15329	1.0
338.61502	0.6
347.16937	0.7
349.22458	0.7
421.20889	1.5
445.20523	2.7
449.14517	11.6
481.17221	53.7
482.17603	3.5
496.97079	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80309	0.9
58.00578	1.0
59.01379	97.5
66.54100	0.9
71.01380	56.2
71.44339	1.4
72.99285	1.4
73.02940	7.4
73.03282	1.2
75.00864	2.4
82.52649	1.0
83.01376	2.2
85.02950	10.6
87.00845	4.1
89.02444	79.3
95.01385	2.9
95.08646	4.6
97.02891	1.1
99.00875	6.0
101.01788	1.5
101.02442	30.4
113.01724	1.5
113.02450	20.9
116.92854	1.0
119.03505	22.3
119.04961	1.2
121.05039	2.1
121.88940	1.0
122.69962	1.0
125.02391	1.1
129.01883	0.9
131.02615	1.0
131.03514	8.5
133.02954	13.2
134.03740	14.3
135.04527	52.6
136.00711	1.5
136.01659	26.2
136.04820	1.5
143.03462	4.2
149.04509	10.5
149.06027	10.2
151.04010	32.5
161.02452	59.6
161.04402	5.8
162.02843	2.6
169.08693	10.4
179.03435	34.5
179.05530	9.9
180.03793	1.5
191.05641	5.5
197.06036	4.3
207.09019	1.1
208.05196	1.0
209.06081	9.7
225.05537	5.7
233.06624	1.3
236.04761	2.0
237.05550	31.8
238.06277	9.6
240.07979	1.0
251.07178	4.7
252.07925	28.4
253.05086	24.5
253.08548	8.2
254.05321	1.7
267.06363	1.7
268.07422	22.2
269.07803	1.7
283.09775	67.3
284.09952	5.1
292.83298	1.0
293.08679	2.4
301.10822	2.6
349.18604	1.7
370.06305	1.0
421.16818	1.3
443.19168	1.3
445.13498	100.0
446.13898	6.6
481.19003	38.4
482.19321	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53474	0.6
59.01376	2.6
63.99747	0.5
70.30236	1.0
71.01370	1.5
73.02931	1.4
81.91969	0.5
82.95397	1.6
85.02914	0.7
89.02436	2.2
98.21791	0.7
99.00849	0.8
101.02435	1.7
113.02456	0.7
133.02913	0.6
134.03746	1.2
135.04546	0.8
136.01665	2.1
151.03975	1.9
156.38091	0.5
161.02419	1.1
185.06055	1.2
191.05588	0.5
195.04465	1.4
196.05055	0.5
197.06081	1.1
212.04811	1.2
213.05563	12.0
223.04065	2.5
224.04730	1.1
227.32668	0.5
240.04260	1.2
241.05048	68.8
242.05351	2.9
256.07394	52.5
257.07654	2.6
271.09735	100.0
272.10071	4.8
319.11832	21.5
320.12012	0.7
349.18417	1.1
414.64935	0.6
445.13495	0.7
481.23505	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	481.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07876	0.3
56.88758	0.3
59.01380	2.8
61.98822	1.3
69.33826	0.6
69.34211	0.9
70.31303	0.4
71.00749	0.4
71.01379	2.6
73.02954	0.7
75.00874	0.9
82.95417	5.2
85.02923	0.5
89.02448	2.4
99.00862	0.8
101.02459	1.4
104.94116	0.4
113.02509	0.5
134.03714	0.7
136.01657	2.2
149.04509	0.7
151.04047	2.5
161.02509	0.6
161.04570	1.0
185.06073	1.2
191.05655	0.5
195.04504	0.9
197.06088	1.1
212.04640	0.7
213.05571	10.5
222.56107	0.4
223.04019	2.8
224.04744	2.2
240.04355	0.6
241.05064	63.5
242.05423	2.4
256.07413	47.7
257.07819	1.8
270.09134	0.5
271.09753	100.0
272.10126	4.8
319.11859	20.3
320.12332	0.8
445.13571	1.0
481.09192	0.5
481.19241	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	481.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81030	1.0
59.01379	83.9
61.98827	8.4
61.99105	1.8
63.37859	1.1
65.59383	1.0
69.46544	4.0
71.01381	56.5
71.54364	1.2
73.02617	1.5
73.02945	17.1
75.00848	4.5
79.05504	1.3
83.01362	2.0
85.02941	6.6
87.00845	2.1
89.02446	87.4
90.02718	1.5
95.01375	2.0
95.08668	39.7
98.22540	2.8
99.00883	24.4
101.02448	35.9
104.93010	1.3
109.29113	1.1
113.02467	11.6
119.03497	11.9
121.05041	2.3
125.02445	2.2
130.18242	1.2
131.03506	10.0
133.02954	11.7
134.03717	4.9
135.04527	21.7
136.01637	6.7
143.03444	2.2
149.04555	36.6
149.05870	2.7
151.03967	6.8
161.02451	55.2
161.04550	5.0
162.02928	1.7
169.08713	41.5
170.08852	1.3
179.03496	13.0
179.05589	4.0
180.37242	1.4
191.05602	11.5
197.06020	2.4
209.05977	4.5
221.06638	3.1
225.05461	5.5
236.04640	1.3
237.03313	1.8
237.05551	22.7
238.06163	4.3
238.90948	1.2
251.07440	5.5
252.04489	1.1
252.05043	1.3
252.07933	18.3
253.05081	12.0
253.08522	4.4
260.58829	1.5
267.06619	2.2
268.07437	15.3
283.09744	36.2
284.09946	2.2
293.08585	1.8
445.13486	60.6
446.13654	5.0
481.19095	100.0
482.19327	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	481.229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63960	0.4
53.63608	0.4
55.01867	0.6
55.24295	0.4
56.25765	0.5
57.03437	1.0
59.01381	12.8
69.03464	0.5
71.01008	0.8
71.01382	9.5
72.80257	0.5
72.99322	0.9
73.02951	3.0
83.01371	2.0
85.02946	4.5
87.00878	1.6
89.02457	5.0
93.03448	1.0
97.02966	0.5
99.00887	1.2
101.02444	5.6
109.02950	0.8
111.00887	1.3
113.02444	1.7
119.03492	0.5
125.02505	0.5
129.14912	0.4
131.03531	2.3
135.04613	0.5
139.03983	0.9
143.63393	0.5
149.04939	0.7
149.06078	5.8
161.02477	1.1
169.12219	0.5
173.04514	1.8
179.03423	0.6
187.13399	23.7
188.13693	0.6
191.05608	4.5
201.14890	0.9
255.02943	2.1
283.02353	2.3
285.04034	1.3
293.08862	1.4
331.17581	2.2
349.18646	17.4
350.18790	1.0
443.15375	1.7
451.77554	0.6
463.21899	0.5
481.22882	100.0
482.23309	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	481.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70669	0.5
54.61595	0.5
55.01849	0.8
57.03442	0.6
57.70302	0.5
59.01115	0.6
59.01380	9.6
62.14863	0.4
71.00998	0.8
71.01381	9.4
72.99288	1.2
73.02931	3.9
83.01377	1.7
85.02942	3.9
87.00871	1.5
89.02434	3.7
95.01389	0.5
97.02972	0.9
99.00861	2.1
101.02433	5.0
109.02950	1.0
111.00893	0.6
113.02450	2.0
115.04034	0.8
125.02456	0.8
135.04488	0.7
136.26465	0.5
149.06116	0.6
153.01920	0.5
161.02414	0.8
169.12360	1.1
172.05307	0.7
173.04526	0.5
187.07652	2.6
187.13390	30.8
188.13702	1.2
189.05579	0.6
191.05611	5.6
201.15039	0.6
215.07098	0.7
229.08542	0.6
255.02856	0.5
257.08173	2.0
283.02408	0.6
331.17618	2.5
349.18649	33.4
350.18869	1.3
385.39490	0.5
391.20035	0.5
410.76910	0.5
437.14395	3.0
481.22864	100.0
482.16977	0.9
482.23236	8.2
509.84451	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29739	2.5
57.03447	11.1
59.01379	100.0
61.98824	12.2
62.23503	1.9
68.99812	2.2
69.60831	7.3
71.01380	44.3
72.99316	3.2
73.02943	9.3
81.03444	2.7
82.95415	62.7
83.01356	2.1
83.05046	3.6
84.95132	2.0
85.02965	10.9
87.00885	2.2
87.04497	4.8
89.01920	3.9
89.02443	42.8
96.95995	14.5
96.96959	4.1
97.02938	2.8
99.00860	5.6
101.02435	27.7
109.02896	2.2
109.06590	3.0
113.02446	15.2
113.06102	3.0
116.92927	3.1
119.03513	16.3
120.99628	3.1
126.90444	3.2
131.03513	4.7
133.02946	7.3
134.03702	1.9
135.04520	21.9
135.08162	49.0
136.01645	5.7
137.06000	2.2
139.07658	4.3
143.03497	5.5
144.59637	2.2
147.08165	4.5
149.04530	7.1
151.04033	10.6
153.09212	66.0
161.02446	26.3
161.04506	15.0
165.09210	40.8
179.03491	11.9
179.05586	15.1
183.10246	29.0
191.05510	4.3
193.12299	4.5
237.05528	6.4
241.05020	13.8
241.14442	23.4
252.07916	4.5
253.05017	3.4
256.07349	8.6
259.15475	75.6
260.15897	3.9
266.56091	2.4
268.07410	4.9
271.09741	23.2
283.09766	11.8
319.11923	3.2
324.80505	2.1
417.39655	2.5
421.14371	3.9
421.20801	36.9
445.13501	41.3
481.19177	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	481.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84277	0.8
52.47377	0.8
58.95700	0.9
71.06664	1.0
78.95900	40.8
80.81145	1.0
90.80985	0.8
96.96963	2.5
122.80129	0.9
152.99594	59.0
171.00655	17.1
205.44717	0.8
215.44974	0.9
227.03236	3.5
245.04305	100.0
246.04655	1.6
253.21730	61.3
254.21977	2.9
254.24493	1.1
310.59067	0.9
348.75204	0.9
440.69287	1.0
481.25699	47.7
482.26093	2.8
508.16638	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.257
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18381	0.9
69.91726	1.7
78.95899	42.7
88.50686	0.7
96.96945	4.1
112.31019	0.7
125.85132	0.7
152.99590	63.6
156.38924	0.8
171.00639	19.4
206.23456	1.0
227.03256	3.6
243.46542	1.1
245.04306	100.0
246.04509	1.2
253.21733	61.7
254.22099	3.1
386.82306	0.9
434.31015	1.0
481.25708	53.6
482.25961	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	481.33
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06868	14.2
69.22768	89.3
71.68251	15.5
75.26083	14.4
78.95901	47.6
79.30733	16.0
83.69522	13.7
86.02423	14.3
118.19601	16.7
152.99568	25.7
161.57529	16.6
245.04375	24.4
255.02988	100.0
255.23257	55.7
281.45044	18.6
283.02524	95.8
442.34027	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80276	0.7
69.23954	4.1
69.24265	0.6
107.01382	1.3
115.58543	0.8
133.02969	2.5
151.00365	1.9
175.03984	1.2
194.38113	0.9
199.03957	1.1
211.03940	0.9
255.02917	2.3
256.03751	2.5
283.02484	2.2
284.03256	50.4
285.04037	96.1
286.04327	3.8
287.09238	2.2
447.09317	100.0
448.09668	6.1
483.98151	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58197	0.8
56.68638	0.6
70.26612	1.2
78.03912	0.8
80.09386	0.8
107.01400	1.2
133.02983	2.3
148.40573	1.0
149.02423	0.7
151.00374	3.2
175.04018	0.9
199.03941	1.2
208.15938	0.8
217.05055	1.0
241.05054	0.9
255.03181	1.1
256.03793	2.5
263.42181	0.8
284.03265	47.9
285.04044	85.2
286.04361	2.6
289.84055	0.8
301.91699	0.8
323.81494	0.8
327.05115	1.0
354.70880	0.8
413.29297	0.8
447.09314	100.0
448.09665	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	483.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57197	0.3
57.03437	1.2
59.01377	3.1
60.99302	0.5
61.98825	1.8
65.00301	0.4
67.01883	3.6
69.03439	1.4
70.04613	0.3
71.01379	4.6
71.33754	0.4
73.02943	0.4
75.15322	0.3
80.69007	0.4
81.03482	0.4
82.95422	3.4
83.01337	0.4
83.05019	0.8
85.02955	0.7
89.02438	0.7
93.03455	22.1
94.03807	0.3
96.95963	0.3
98.21862	0.7
101.02418	1.0
103.05551	0.4
107.01379	0.7
109.02924	0.9
111.00903	1.8
111.04520	4.6
113.02448	0.6
117.03433	0.9
125.02487	0.5
132.78661	0.5
133.02972	1.5
135.04538	2.6
135.74916	0.4
137.02446	4.8
145.02948	1.7
147.04521	19.1
148.04904	0.5
148.65945	0.4
151.00385	3.0
155.03520	3.9
161.02429	2.9
161.04536	0.6
173.04546	100.0
174.03580	0.4
174.04875	1.9
179.03494	0.7
191.05562	0.8
199.03894	0.4
255.02985	1.4
256.03607	0.6
268.03799	1.4
269.04388	2.1
283.02505	1.6
284.03250	10.5
285.04037	20.1
286.04416	1.2
287.05664	0.5
288.06287	1.5
288.56570	1.9
289.06757	0.6
321.09784	37.0
322.10138	1.6
353.06729	0.5
389.06625	0.5
391.08212	0.4
433.09222	1.1
447.09314	20.5
448.09592	1.5
482.55655	0.4
483.33582	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	25.6
61.98824	16.9
67.01906	8.6
69.03429	7.9
69.21361	35.3
71.01382	16.2
78.78960	7.5
78.95901	27.2
89.02451	14.8
93.03467	10.6
98.21895	16.3
101.02428	10.5
103.33353	7.2
109.61451	7.4
117.03472	30.8
119.05032	10.8
123.04527	11.4
133.02997	11.6
145.02939	69.5
146.03296	16.8
151.00310	12.4
152.23010	7.1
152.99615	35.3
161.02415	19.3
179.03540	10.1
221.73465	7.7
268.03732	36.9
269.04413	100.0
270.04767	34.2
284.03189	43.0
285.04031	92.9
288.06378	55.9
288.56558	99.7
289.06665	26.8
309.13202	7.5
350.86832	6.6
357.58179	12.5
382.54022	7.3
431.10199	9.4
432.09952	13.8
447.09283	93.4
447.22226	8.2
483.19339	50.1
483.32660	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	483.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	3.4
56.51271	3.3
59.01379	47.9
65.02678	3.7
71.01389	53.5
72.99002	3.6
73.02939	24.5
78.95914	4.1
83.01399	9.3
85.02949	32.0
87.00874	4.3
89.02455	10.3
95.01340	6.9
98.22681	6.7
99.00887	8.9
101.02442	59.2
113.02465	25.4
117.03487	6.7
133.03012	3.9
136.05150	4.0
145.02980	15.1
152.99510	5.9
161.02464	4.4
161.04547	20.6
164.67729	3.8
173.04622	5.3
179.03482	4.8
191.05626	4.3
268.03638	9.2
269.04422	11.4
270.04886	4.5
284.03262	29.4
285.04025	56.5
288.06354	13.6
288.56616	24.7
289.07062	5.1
291.15030	6.4
291.18155	92.9
407.46649	4.0
423.22363	100.0
431.09738	4.9
447.09305	57.4
447.22363	67.8
483.19864	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.7
55.63794	1.5
57.03451	4.2
59.01379	100.0
61.98833	3.5
67.01905	1.8
69.03458	2.6
71.01379	83.7
72.99284	2.6
73.02950	27.8
75.00895	2.1
77.73759	1.8
78.95892	2.7
83.01385	8.6
85.02949	31.2
87.00877	7.0
89.02438	70.2
93.03405	1.8
95.01391	6.8
96.96014	15.4
97.02963	7.4
99.00893	7.9
101.01783	4.2
101.02447	72.7
113.02446	31.3
119.03512	24.3
125.02460	6.7
131.03557	8.4
133.02954	2.8
135.04523	9.2
143.03535	9.2
149.04538	7.6
159.03023	3.4
161.02518	9.9
161.04543	31.9
165.05591	2.3
177.01889	2.9
177.05507	2.0
179.03502	7.1
179.05609	52.9
189.15009	1.9
191.05634	6.6
221.04636	2.9
221.06647	11.3
261.13547	2.7
281.06760	5.3
285.03799	2.7
308.02267	1.8
310.92392	1.7
341.08762	7.3
351.20248	15.5
363.08942	1.9
404.80481	1.7
423.18698	70.6
424.19351	4.3
425.27472	1.7
432.77692	2.3
440.22342	6.8
483.15649	4.9
483.24557	44.3
484.25143	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	483.2443
Annotation	25-Hydroxyhalisulfate 9
Peak:m/z	Relative Intensity
55.01875	3.0
57.03445	3.5
59.01380	37.5
60.01715	0.5
61.98809	0.7
64.71876	0.5
68.99816	0.5
69.03449	1.7
69.46735	2.0
70.11526	0.4
71.01382	44.2
72.01694	0.6
72.99296	1.2
73.02949	21.9
75.00858	1.8
80.91678	8.2
81.03464	0.5
83.01385	8.5
84.02141	0.5
85.02953	20.3
85.06548	0.6
87.00888	3.9
88.98874	0.4
89.02444	19.0
93.03419	0.7
95.01374	3.0
96.96016	1.1
97.02974	2.9
99.00875	9.4
101.02444	39.7
102.02790	1.0
105.03442	0.6
111.00864	2.4
113.00956	1.1
113.02449	17.0
115.04004	1.9
115.07653	0.6
117.00439	0.8
119.03503	2.8
123.04507	0.5
125.00961	0.8
125.02449	3.9
127.04075	0.5
129.01921	1.6
131.03508	3.5
133.02953	1.4
135.04477	1.1
141.00455	5.0
141.01474	0.6
143.03546	2.3
149.04536	4.2
153.00467	0.7
155.01970	1.4
159.03004	3.1
161.02467	0.9
161.04558	9.8
167.01999	0.8
168.99899	0.8
171.04506	0.5
173.04567	0.7
175.06169	0.5
177.01921	6.6
179.03445	0.7
183.01466	1.7
187.13396	0.6
189.14983	4.1
191.05649	3.6
204.07468	0.5
213.02486	0.5
233.06587	2.2
269.10413	2.2
293.08823	1.5
305.16187	0.6
337.07889	0.6
351.09351	6.3
351.20233	35.4
352.09604	0.7
352.20569	1.9
395.16870	0.5
401.14508	6.6
423.13147	0.7
423.18738	1.3
437.20178	1.2
442.44974	0.5
456.95557	0.5
465.12701	0.8
483.14291	9.4
483.24432	100.0
484.13770	1.0
484.24887	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17744	0.3
63.39029	0.4
70.76453	0.4
78.95471	0.7
78.95897	6.7
85.13435	0.3
96.96975	0.7
106.11406	0.3
108.52718	0.3
116.44692	0.3
152.98340	0.7
152.99585	13.6
163.63235	0.3
171.00656	1.2
227.03250	3.4
245.04362	1.2
255.23282	100.0
256.23630	3.1
439.26752	0.4
483.27255	35.8
484.27701	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	483.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
65.67854	0.3
75.83501	0.4
77.96362	0.3
78.95900	11.4
96.96947	0.8
98.21793	0.7
113.28697	0.3
131.34438	0.3
150.98047	0.3
152.99585	22.2
161.65553	0.3
171.00681	1.0
184.08018	0.3
227.03265	3.4
245.04338	1.4
247.04889	0.4
255.23280	100.0
256.23685	4.3
284.03110	0.5
285.03949	1.1
391.22418	0.7
447.09271	1.1
483.27252	49.5
484.27637	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81636	0.4
59.91457	0.3
61.65720	0.3
64.39057	0.4
67.27480	0.3
68.29836	0.4
69.16119	1.4
69.16530	0.5
78.95906	6.7
78.96346	0.3
89.99453	0.3
96.96940	0.7
98.21875	0.7
121.25111	0.3
152.99585	13.1
171.00682	1.2
193.81487	0.3
198.61613	0.3
199.72133	0.4
203.46681	0.3
227.03253	2.7
245.04326	1.1
255.23283	100.0
256.23596	4.6
483.27277	33.9
484.27670	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	484.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00972	1.1
57.03455	1.1
59.01379	17.9
61.98832	7.7
64.58416	1.0
69.25085	5.8
71.01382	29.0
73.02950	12.1
78.95878	1.0
83.01388	2.9
85.02954	12.1
87.00867	2.9
87.04536	1.9
89.02444	5.1
93.03437	1.3
95.01395	2.6
97.02973	1.6
99.00878	3.2
101.02439	18.3
103.03993	1.3
113.02460	13.8
115.04046	2.3
119.03516	2.0
119.53660	1.1
131.03473	2.8
132.05829	1.4
133.06593	100.0
134.06923	2.6
135.04514	2.4
137.02478	2.0
143.03490	6.7
152.99547	3.6
154.07477	1.1
159.03008	2.8
161.02483	1.5
161.04559	29.5
163.06158	2.3
177.01921	1.7
191.05635	2.6
205.07208	4.5
269.04688	1.5
284.03244	7.4
285.03912	17.2
286.04370	14.1
295.11838	9.7
301.78534	1.2
307.10352	1.2
349.19281	1.2
441.17618	80.3
442.17969	3.7
447.09268	8.3
448.09717	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.1
59.01381	18.7
61.98823	3.0
66.40381	0.8
69.03468	1.2
69.49538	3.3
71.01009	1.7
71.01382	27.1
72.99325	1.1
73.02947	10.9
75.03294	0.8
78.95908	1.1
83.01386	2.8
85.02959	13.3
86.00082	1.0
87.00871	3.4
87.04507	1.0
89.02428	5.0
95.01383	1.6
97.02979	1.1
98.22601	1.6
99.00879	3.0
101.02451	17.4
103.04017	2.0
109.03026	1.0
113.02452	13.8
115.04003	3.8
119.03492	1.2
125.02408	1.0
131.03484	3.7
132.05757	1.3
133.06596	100.0
134.06956	2.9
134.95728	0.8
135.04518	1.7
137.02437	1.4
143.03505	5.9
145.05083	1.3
151.00397	1.0
152.99551	1.5
159.03027	1.5
161.02481	1.6
161.04561	28.8
163.06123	1.8
173.04536	1.3
177.01971	1.0
178.91667	0.9
191.05663	0.9
205.07195	5.0
213.90048	0.9
269.04474	1.6
284.03281	4.3
285.03940	10.1
286.04462	7.0
295.11804	9.6
391.58310	0.8
441.17648	68.9
442.17999	4.8
447.09396	3.9
448.09616	9.9
461.37234	1.0
502.47916	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65923	0.7
55.84272	0.7
59.13848	0.7
61.16160	0.7
61.98830	100.0
65.90028	0.8
66.77943	0.8
69.24245	3.3
69.24641	1.6
71.56998	0.7
74.45588	0.9
84.67178	0.8
91.01592	0.8
111.00887	2.6
112.01250	0.9
125.87371	0.9
126.88171	0.8
127.29332	0.7
127.86975	0.8
139.07401	1.0
160.84215	23.8
162.83919	6.4
171.10242	1.6
171.67915	0.9
173.00877	0.9
176.83656	0.8
233.15460	2.0
284.03149	3.4
285.03995	8.6
286.04388	7.1
297.13080	1.1
403.24780	2.9
421.25967	12.2
447.09494	4.0
448.09796	8.1
484.01166	2.2
485.32767	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28025	0.8
54.95199	0.8
55.01872	3.1
58.00605	1.1
59.01376	46.3
61.98829	1.1
69.44774	1.5
69.45116	3.5
71.01376	23.1
71.42015	0.9
73.02947	3.8
78.95919	0.9
82.95412	35.8
83.01382	6.6
85.02941	5.3
87.00888	1.5
89.02440	19.9
95.01369	1.0
96.96041	3.6
98.95662	1.3
101.02444	29.5
101.03093	1.6
112.34150	0.9
113.02452	7.2
119.03489	8.8
125.02454	1.4
129.01897	1.3
131.03485	1.1
133.03000	4.2
135.04524	4.7
145.07695	1.9
146.04846	1.0
149.04628	1.1
149.06061	1.5
160.06419	10.5
161.02455	11.7
161.04573	3.0
161.07201	59.1
162.07538	1.3
173.10815	1.4
175.08749	23.5
179.03506	2.2
179.05653	2.4
185.10899	1.1
187.08815	4.7
189.06691	84.3
190.07100	2.5
191.05568	5.0
193.05064	3.2
201.10310	4.7
203.08269	21.2
203.11848	7.9
226.89549	1.0
227.08134	1.1
229.09830	11.7
241.09833	2.8
259.10733	1.5
277.12122	2.4
287.10425	1.6
293.16095	1.3
305.11407	34.5
306.11801	1.9
323.12418	4.3
425.20267	5.2
475.41580	0.9
485.17926	100.0
486.18158	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	485.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44180	1.1
52.24297	1.1
57.70462	1.2
59.01379	100.0
61.98819	3.4
69.03455	1.1
70.48943	2.1
71.01382	43.4
71.46029	0.9
72.99284	1.0
73.02937	6.8
83.01389	3.3
83.05000	1.0
85.02950	9.5
87.00878	3.3
89.02440	49.1
95.01395	2.1
96.96021	1.2
98.22594	0.9
99.00857	2.7
101.02444	30.6
107.10086	1.0
111.00938	1.0
113.02440	17.7
118.96626	2.7
119.03497	19.4
125.02454	2.0
131.03482	2.3
141.00453	1.0
143.03514	5.4
145.05074	1.9
149.04570	2.0
157.03555	3.1
159.01486	1.6
159.02957	1.1
161.04564	11.8
179.05612	23.1
185.01349	1.3
191.05556	2.0
199.98694	1.2
201.02545	54.1
202.02676	2.0
209.28900	1.0
221.06683	1.3
263.11319	3.7
275.73413	0.9
279.11011	1.1
323.09900	1.9
334.94098	1.0
341.10837	2.8
342.99594	1.7
343.03726	23.0
344.04099	2.3
365.07556	1.7
365.14542	1.9
425.16681	48.3
426.16907	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	485.3632
Annotation	Methyl 2alpha-hydroxyoleanolate
Peak:m/z	Relative Intensity
61.84084	0.4
68.76374	0.4
69.15544	2.1
71.05016	1.0
78.95892	1.2
94.91674	0.4
97.06590	6.1
98.21909	1.1
116.78728	0.4
152.99561	1.5
153.99976	0.5
155.00032	0.7
191.14334	0.4
226.73505	0.5
228.03607	0.4
255.23299	8.7
256.23645	5.7
257.23938	9.4
284.03287	0.7
285.03894	0.9
373.25195	0.8
374.26062	1.0
375.26855	0.5
377.28180	0.7
389.28485	2.3
391.30020	4.8
405.31610	8.8
406.32117	0.9
407.33112	11.2
408.33249	0.6
423.28519	0.6
439.32117	1.3
441.33719	9.4
447.09354	1.1
451.32138	35.5
452.32779	3.2
453.33713	100.0
454.34058	8.8
471.34790	6.2
485.27887	7.8
485.36359	17.5
485.76935	0.5
486.36670	2.1
497.32764	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06889	0.2
51.07143	0.2
57.03435	0.2
59.01390	0.7
60.92094	0.2
61.98833	100.0
63.37680	0.2
64.87804	0.2
65.89223	0.2
69.97853	0.2
71.01401	0.5
73.02948	0.3
77.48804	0.2
77.71212	0.2
79.24236	0.2
79.73327	0.2
85.02962	0.3
88.14127	0.2
89.02477	0.2
89.73859	0.2
101.02477	0.5
116.92886	0.3
133.02971	0.3
134.53604	0.2
135.04538	0.4
179.03581	0.2
191.05658	0.6
269.04419	1.1
284.03400	0.8
285.03983	0.9
286.04395	0.5
299.05710	0.6
416.65610	0.2
448.09964	0.9
448.23053	0.8
486.20511	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55449	0.3
55.62142	0.3
61.98835	0.5
70.65639	0.5
88.04041	55.0
89.04387	0.5
96.55093	0.3
147.08179	1.9
149.09715	1.4
152.59779	0.3
161.09718	0.6
163.11270	3.4
164.95285	0.3
175.11292	0.4
187.11276	2.9
206.15611	0.4
207.41101	0.3
256.23495	0.6
265.12332	0.6
279.13861	0.6
280.14612	1.1
307.17056	0.6
309.22122	2.2
321.18585	0.5
322.18915	0.5
337.21719	100.0
338.22104	6.1
382.27527	0.7
428.03171	0.4
435.76132	0.3
455.58353	0.4
486.26880	15.9
487.27170	1.4
487.33734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.9
64.02091	0.8
65.70644	0.9
71.01380	15.2
72.99285	4.4
85.02953	1.8
87.00848	1.1
89.02428	4.0
93.03416	1.1
101.02408	2.5
102.05611	1.9
111.58813	0.8
113.02420	1.1
115.00372	37.9
117.31955	0.9
119.05056	0.9
127.03994	1.1
127.05105	1.5
128.03514	1.5
133.01430	100.0
133.03015	4.0
135.04466	2.4
145.01468	4.9
145.05113	1.6
145.06187	5.4
146.04611	4.6
146.59450	0.8
161.02426	2.5
162.89326	1.5
163.04060	0.9
168.09444	0.9
177.01947	1.0
179.03488	2.1
185.70398	1.0
191.05624	12.5
295.10217	1.2
353.08636	1.0
487.14893	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.2
71.01374	1.6
73.02947	1.2
80.61349	0.6
82.02991	1.0
83.01429	0.8
85.02953	0.8
89.69582	0.6
89.81047	0.6
94.31535	0.5
101.02442	55.0
101.07313	0.6
102.05611	3.4
109.04058	0.6
114.95059	0.6
119.17570	0.6
119.66055	0.5
120.88577	0.6
127.05156	1.5
128.03529	4.5
133.58282	0.7
144.02985	1.1
145.01428	100.0
145.06189	8.0
146.01848	1.0
146.04587	13.0
162.95139	0.5
191.05615	2.4
223.51692	0.6
497.80991	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.7
59.01376	8.2
61.98832	5.7
69.03446	1.0
71.01382	8.1
72.99307	0.6
73.02946	2.6
73.17938	0.5
80.91659	1.0
82.95390	0.6
83.01355	0.8
83.04999	0.6
85.02941	3.9
86.35123	0.5
89.02444	3.2
89.14149	0.6
94.42123	0.5
95.05005	0.9
96.96012	1.0
97.02910	0.8
99.04538	0.6
100.93324	0.9
101.02446	5.9
105.03494	0.6
109.02919	1.2
113.02458	2.6
114.94846	0.8
117.03433	1.1
119.03499	0.6
119.05014	2.0
121.02991	0.7
123.04521	0.9
123.50284	0.5
125.02534	0.7
126.19643	0.5
127.04013	1.1
130.91115	0.5
132.02165	2.0
133.02954	31.7
134.03700	2.1
135.04529	22.0
136.04880	0.7
137.02478	0.6
145.02963	1.1
147.04526	0.9
149.06053	3.5
151.03973	0.8
161.02440	100.0
162.02794	2.3
163.04051	2.7
163.06123	2.7
177.01929	1.8
177.05547	5.5
177.84137	0.7
179.03499	27.2
180.03818	0.7
182.97455	0.5
189.05618	0.8
191.05615	1.4
193.05013	0.6
203.03514	0.7
209.08165	0.7
217.05045	1.3
221.02545	0.8
221.04549	10.3
233.04483	0.7
235.06052	1.3
251.05594	9.5
281.06656	16.2
323.07751	2.9
325.11505	1.2
341.08752	17.6
342.09009	1.3
383.09811	9.7
395.09805	3.0
397.11411	2.5
409.11511	2.4
413.10931	6.5
427.03552	1.4
427.12457	2.2
427.20721	0.7
469.13385	1.6
487.14563	44.0
488.14917	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	487.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13877	1.3
57.03449	1.4
59.01103	2.2
59.01379	21.3
60.93453	1.2
61.98819	7.9
69.03444	3.5
71.01384	17.8
72.99316	2.2
73.02949	4.5
75.00867	3.7
80.91679	1.8
81.03445	1.9
85.02932	7.2
87.00877	4.5
89.02441	8.9
92.76378	1.4
93.03458	2.4
96.96012	2.1
97.01107	1.4
99.00846	2.1
99.92603	6.1
100.93389	2.5
101.02461	10.6
109.02937	1.6
111.24601	1.4
113.02448	7.0
115.92068	2.3
116.92858	9.2
117.03468	23.0
117.92853	1.4
119.03584	2.8
119.05022	56.3
132.05902	1.2
133.02960	17.2
133.06602	3.2
134.03764	2.8
135.04529	28.8
137.02454	2.0
145.02953	100.0
145.89314	1.2
146.03307	2.3
148.05319	1.6
149.06091	3.4
151.04002	2.3
161.02441	47.7
161.04579	3.6
161.06088	14.1
162.02934	1.6
163.04004	61.5
164.04416	1.4
177.01991	1.9
177.05545	13.5
179.03496	27.2
179.05644	2.8
180.03854	1.6
187.04030	2.4
191.05638	2.9
193.05164	1.5
205.05060	17.7
221.04594	9.1
235.06125	17.8
251.05560	7.3
265.07166	32.5
271.10440	1.4
281.06619	13.3
307.08209	4.9
323.07480	1.8
325.08923	15.2
341.08759	13.2
383.09839	6.0
395.09494	6.1
427.18115	2.0
451.07040	3.1
459.15256	6.5
487.08984	3.9
487.14636	75.0
488.15128	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1455
Annotation	Cistanoside F
Peak:m/z	Relative Intensity
55.01887	0.6
59.01377	6.6
61.98837	1.0
65.42310	0.5
68.99534	0.6
69.03437	1.2
69.40624	1.1
69.41013	1.1
71.01389	5.0
72.99261	0.5
73.02960	1.2
78.62180	0.4
81.78694	0.5
82.80652	0.4
82.95464	0.5
83.01396	0.7
85.02959	2.7
87.00868	0.5
87.59106	0.4
89.02447	1.8
94.99107	0.5
96.95981	0.6
97.03012	0.6
97.81190	0.5
99.00868	0.7
100.93371	0.6
101.02436	5.5
112.98595	0.7
113.02459	1.3
114.47749	0.5
115.01877	0.6
115.92060	0.9
116.92850	0.8
117.03426	1.0
119.03557	0.7
119.05016	1.2
123.04518	0.6
132.02191	1.5
133.02957	27.6
134.03702	1.7
135.04526	15.6
145.05038	0.6
148.05258	0.7
149.06068	1.6
161.02446	100.0
162.02754	2.3
163.04027	1.8
163.06113	3.8
177.05536	2.2
179.03491	17.7
209.08232	0.9
217.04935	0.8
221.04538	5.3
222.01239	0.5
222.85493	0.5
235.06177	0.8
251.05609	4.2
275.00150	0.5
281.06659	8.7
283.29269	0.5
323.07608	0.8
325.11407	1.4
341.08783	10.1
342.09235	0.8
365.15610	0.5
383.09732	4.8
395.09531	0.7
413.10956	5.1
487.14551	71.5
488.14896	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	487.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13898	9.2
54.26032	6.9
59.01374	26.9
69.30237	42.0
71.01392	25.1
73.02953	9.2
87.00874	9.4
89.02455	9.2
98.21886	18.2
101.02442	15.1
153.11517	8.1
162.83907	22.0
162.89357	13.1
173.04536	7.7
178.62996	7.7
179.03458	9.3
207.10176	8.7
225.11313	7.9
228.44907	8.8
261.64975	9.2
283.02472	9.7
309.20840	11.3
336.21671	10.2
364.49985	9.8
449.09851	8.7
451.25482	100.0
466.45096	7.9
469.29358	10.1
487.23621	63.5
487.35425	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3429
Annotation	Rubiyunnanol C
Peak:m/z	Relative Intensity
56.33359	0.9
60.99294	1.2
61.98823	2.1
71.04975	1.2
80.82159	1.0
81.03451	1.1
92.28941	0.8
92.92805	1.0
93.43343	0.9
97.06585	5.3
123.61502	0.8
149.62006	1.0
158.66232	1.0
220.46800	0.9
389.28375	1.8
391.29953	3.8
393.28156	1.9
400.96271	0.9
405.31628	6.3
407.28818	1.2
407.33304	11.7
409.31180	1.4
423.32861	1.9
441.28293	1.6
441.33734	17.3
442.34055	2.1
449.30212	2.3
451.32196	19.0
452.32166	2.1
453.33713	100.0
454.34003	9.6
459.34848	1.1
467.31586	3.3
469.33414	4.5
471.34760	1.4
485.32657	1.5
487.34372	21.9
488.34735	1.8
497.32629	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50495	1.1
60.99311	1.4
61.98803	2.8
63.38351	1.0
75.56533	1.0
80.30771	1.0
80.91678	1.6
82.13941	1.0
96.96003	3.7
97.06568	4.0
99.45411	0.9
102.55415	1.0
116.96619	1.0
128.21643	0.9
134.78896	0.9
154.91899	1.3
161.81386	1.0
191.14291	1.3
225.14993	1.2
255.02847	1.5
389.28278	1.3
391.29926	3.1
405.31677	7.3
406.31577	1.5
407.33292	8.9
423.32706	2.2
425.68564	1.1
441.33759	20.7
442.33997	1.3
449.30347	1.4
451.32175	14.4
452.32434	2.2
453.33734	100.0
454.34030	8.5
467.31412	2.9
469.33105	3.2
471.34903	1.7
487.34515	9.9
497.32413	1.4
511.56024	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3428
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
61.98806	0.2
63.23021	0.2
65.96362	0.2
69.43984	0.8
90.16637	0.2
91.75678	0.1
96.96042	0.4
222.84935	0.2
240.70137	0.2
279.54681	0.2
349.22165	0.2
363.26965	0.3
377.28043	0.3
379.30029	0.6
391.30048	0.3
393.31693	0.2
409.31094	1.0
410.31790	0.2
421.31378	0.3
469.32956	0.2
487.34280	100.0
488.34634	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	487.3424
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
51.79665	0.6
57.44713	0.6
59.01365	1.7
61.98824	1.2
71.01363	0.9
82.17829	0.6
90.38391	0.6
132.82951	0.7
160.84184	2.3
162.69769	0.7
318.57983	0.6
487.34286	100.0
488.34778	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	488.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76815	0.6
58.99602	2.2
59.01376	3.1
61.98827	100.0
71.01366	2.6
73.27118	0.6
82.50282	0.7
82.95444	0.9
83.01437	0.8
84.75068	0.6
85.02964	1.4
87.00893	2.1
89.02454	2.3
90.04166	0.7
93.03486	0.7
101.02438	1.7
102.98592	9.7
112.22479	0.7
113.02450	1.2
131.07124	3.8
133.02960	4.9
134.03738	12.8
135.04520	14.3
135.06404	0.6
137.02444	2.9
155.26318	0.7
161.02458	4.6
161.04602	1.2
165.04068	1.7
178.02747	2.8
179.03484	14.7
191.05708	0.9
249.06200	0.9
255.02959	1.2
283.02353	1.1
283.04996	9.5
285.04025	2.6
323.07660	1.3
327.07361	0.9
363.27548	0.8
410.76474	0.7
425.14508	46.5
426.14954	3.0
427.72806	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05980	24.7
59.01377	51.3
61.98823	25.5
70.97518	41.0
102.86650	24.2
103.47567	24.2
125.87350	35.7
227.21222	23.7
255.03093	23.9
311.29492	100.0
398.14426	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	489.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.4
61.98829	4.6
63.62113	2.3
71.01382	7.3
80.17158	2.2
85.02940	3.5
87.00875	2.3
89.02417	4.3
100.79189	2.6
108.02171	2.4
109.02962	29.8
121.02987	5.1
133.02934	4.8
135.04533	44.3
137.02576	2.6
139.75383	2.8
146.03683	6.0
147.04549	12.9
149.06081	5.1
155.03502	6.7
158.03711	3.8
159.04532	30.6
161.02499	11.5
161.06067	3.0
163.04094	3.0
171.04576	2.7
173.04707	3.9
173.06039	22.2
174.06798	6.5
175.03999	4.6
175.06190	2.1
175.07643	6.0
176.04826	16.7
179.03532	3.7
185.06082	5.1
187.03999	4.9
187.07568	8.9
188.04832	8.3
189.05612	8.1
191.05640	8.3
197.05978	3.8
199.07672	7.8
200.04779	7.9
200.08482	2.7
201.05556	7.1
201.09090	3.5
205.08670	31.4
211.07556	3.3
213.05624	3.0
214.06354	7.0
215.07085	25.3
216.07849	7.6
217.08672	65.5
224.15715	2.9
226.06352	10.8
229.08672	19.9
236.76311	2.7
243.10246	6.7
255.10275	44.0
256.03384	2.9
268.07510	6.6
281.34067	2.3
281.37662	2.2
284.03067	5.0
285.04147	2.8
292.07245	4.4
293.08026	3.7
307.09760	4.3
321.11432	16.5
347.12881	4.5
365.13943	100.0
366.14273	7.7
453.11758	10.8
489.26248	4.8
489.36475	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	489.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94586	1.4
55.01870	5.6
57.87554	1.3
59.01378	37.9
60.36921	1.2
63.96213	2.2
64.70889	1.3
64.97009	1.6
69.03445	1.6
71.01384	20.1
73.02938	2.9
75.00872	57.4
85.02950	4.3
87.00819	1.7
89.02444	25.4
95.97617	2.0
99.00873	1.4
101.02450	18.2
113.02451	5.7
119.03517	8.5
129.01935	6.0
131.03583	1.4
133.02969	26.9
134.03726	5.8
135.04538	36.3
136.01620	1.9
147.02950	2.9
147.04575	1.9
149.04556	3.6
149.06058	8.8
150.06596	1.3
151.04033	3.4
161.02441	100.0
162.02856	3.8
164.07153	2.2
165.04041	1.4
177.05545	7.9
179.03499	39.1
180.03911	1.3
191.05565	1.7
221.04561	12.8
244.02863	2.8
251.05626	5.8
281.06592	14.7
290.66763	1.6
293.08719	1.6
327.09299	64.1
328.09860	1.4
341.08823	8.0
373.11124	2.2
471.11340	3.9
489.12616	83.2
490.13040	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	45.8
65.87343	1.0
67.01862	1.3
69.03419	1.9
71.01378	21.6
73.02949	14.8
75.00845	4.3
83.01366	1.3
85.02931	6.1
87.00874	44.6
89.02448	24.7
93.03432	3.7
93.50315	1.0
95.01349	2.1
96.38225	1.1
96.95966	4.5
97.02927	1.5
99.00864	2.3
101.02435	17.9
103.03985	1.2
105.03410	1.8
109.02900	3.6
113.02476	8.3
119.03522	8.4
123.04537	1.4
125.02418	2.5
129.01906	1.8
131.03461	1.9
133.02954	18.7
133.04630	1.2
134.03758	6.4
135.04526	49.8
136.01732	1.4
136.04852	1.8
137.02467	5.9
143.03427	1.7
149.06062	10.6
150.03160	1.4
151.03957	1.6
161.02454	54.0
161.04431	2.0
162.02650	2.2
165.05475	2.8
167.07112	1.5
173.04532	1.8
177.01852	4.8
177.05557	16.8
179.03496	46.2
179.05144	2.3
180.03740	1.6
183.06509	1.7
191.05688	7.0
191.07011	1.4
195.06560	2.2
203.03429	1.5
211.06151	1.5
215.05444	3.5
221.02553	1.7
221.04544	20.8
251.05525	9.8
267.07205	2.8
270.45276	1.2
281.06693	17.5
281.11273	1.5
283.06174	1.3
327.09305	100.0
328.09644	3.3
341.08862	11.3
351.06900	3.9
373.10956	1.8
471.11301	8.2
489.12128	98.7
490.12521	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	489.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.3
69.27819	1.6
71.01379	3.4
76.65460	0.3
82.95446	0.5
83.01327	0.3
85.02951	0.8
89.02441	3.1
98.22677	0.7
101.02455	2.4
102.42358	0.3
113.02454	0.9
115.57499	0.4
117.03462	1.3
117.60781	0.3
119.03481	1.3
132.02145	0.9
133.02954	29.0
134.03723	0.7
135.04523	12.2
161.02440	100.0
162.02786	2.1
165.07707	1.8
177.05547	0.7
179.03484	9.0
193.62767	0.4
218.49115	0.3
221.04539	1.3
248.05441	0.3
251.05600	0.7
281.06680	1.2
318.61734	0.4
323.07666	0.4
341.08710	0.6
421.96927	0.4
425.99277	0.3
443.93799	0.4
489.16116	73.8
490.16507	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22957	0.4
53.03942	0.7
57.03424	0.6
59.01381	21.3
61.98838	0.5
68.84179	0.4
69.03457	8.4
69.52882	1.5
71.01382	11.7
73.02943	4.6
74.31468	0.4
76.70087	0.4
81.03458	56.8
82.03819	0.7
85.02960	1.2
87.00881	2.2
89.02447	25.6
92.52690	0.4
93.03419	0.4
95.05033	1.8
95.31718	0.4
97.02920	0.5
99.00880	7.6
101.02444	7.4
102.60162	0.4
105.03461	0.7
112.98636	0.4
113.02454	1.6
119.03505	0.9
121.02988	0.5
123.08167	1.3
125.02454	100.0
126.02807	1.3
131.03506	3.9
149.02554	3.2
149.04559	13.1
151.07664	8.2
161.02391	0.6
161.04573	0.6
167.07129	1.7
177.05573	1.8
181.24834	0.4
191.05603	3.3
195.06630	9.1
227.03662	0.4
233.06647	1.3
251.07751	1.1
293.08768	3.8
489.16135	24.2
490.16559	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
59.01376	22.4
61.98826	3.4
64.59294	0.5
69.03452	8.3
69.22207	2.2
69.22612	1.1
71.01381	13.2
73.02943	5.1
81.03453	53.4
82.03780	0.6
85.02976	1.3
87.00393	0.5
87.00874	2.0
89.02440	25.7
93.03439	1.2
95.05011	2.4
98.21824	1.0
99.00872	7.1
101.02429	9.6
105.03434	0.8
109.03005	0.6
109.91885	0.5
113.02459	2.1
119.03516	1.0
119.99237	0.5
121.02962	1.1
123.08119	1.6
125.02441	100.0
126.02771	1.6
131.03510	5.0
133.02940	1.2
135.04478	1.4
149.02524	3.6
149.04541	14.3
151.07632	9.5
155.03494	0.9
161.02458	5.5
161.04541	0.9
165.01993	0.6
167.07080	2.6
177.05579	2.1
177.09212	0.9
179.03482	1.1
191.05598	5.7
195.06610	11.3
221.04643	0.5
221.06656	0.8
222.95045	0.5
233.06610	2.0
250.60057	0.6
293.08743	3.4
323.07480	0.8
458.98605	0.6
489.16034	30.4
490.16525	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
55.55742	0.5
59.01375	22.2
61.08810	0.5
61.98813	1.5
69.03465	3.4
71.01381	28.0
73.02940	7.3
75.00868	1.0
75.63339	0.7
77.15011	0.6
81.03458	0.9
83.01393	1.8
85.02940	9.1
87.00869	3.5
89.01922	1.1
89.02443	13.7
93.03468	1.0
95.01383	2.6
96.95990	0.8
97.02946	3.0
99.00871	5.9
99.04543	0.8
101.02441	19.4
109.02972	0.6
111.08155	2.1
113.02445	8.6
115.04005	2.0
117.03484	1.0
119.03513	3.2
121.03001	0.5
123.04526	0.6
125.02459	4.2
127.03968	1.0
131.03494	1.3
132.02168	1.6
133.02957	25.1
133.05057	0.8
134.03755	3.8
135.04524	15.6
136.04851	0.6
138.01968	2.3
139.07642	14.4
143.03494	1.7
149.04576	1.5
149.06042	1.7
153.05595	1.5
155.03494	0.7
159.02982	1.3
160.01668	5.0
161.02440	100.0
161.04404	10.4
162.02815	3.3
163.04054	0.8
165.07625	1.3
175.04016	6.5
175.05597	0.6
175.06104	0.6
177.05557	1.6
179.03491	12.6
179.05231	0.8
179.05670	0.7
191.05591	2.5
191.07172	0.8
193.05037	6.0
195.06635	0.9
195.10258	1.7
221.04585	2.5
233.06648	3.8
235.06100	1.2
251.05620	1.4
281.06610	2.3
293.08853	4.6
318.38617	0.6
340.52444	0.6
341.08563	0.8
357.15527	4.9
358.37241	0.6
373.11252	0.8
378.90793	0.6
399.10751	0.6
435.26047	0.6
457.13397	1.7
489.16330	74.5
490.15686	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	489.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
57.03444	0.7
58.00585	0.4
59.01380	44.0
61.34344	0.2
61.98814	0.2
65.13439	0.2
69.07478	1.0
69.07893	0.6
71.01383	18.7
72.01698	0.2
72.14053	0.2
72.99308	0.5
73.02956	1.1
83.01377	1.2
83.04999	0.3
85.02948	4.1
87.00887	0.5
89.02448	14.5
90.78260	0.2
91.01114	0.2
95.01382	1.9
97.02950	0.4
97.06580	0.5
99.00887	0.4
99.04534	0.2
101.02449	9.8
106.20512	0.3
113.02455	6.1
119.03504	3.8
125.02450	0.3
125.09758	0.3
133.02986	0.2
135.04488	0.4
137.09734	0.5
149.04556	0.3
152.27678	0.2
161.02454	0.6
161.04506	0.3
163.11296	1.0
165.12837	1.9
171.10291	0.8
179.14488	0.4
181.12325	0.6
183.13904	0.7
193.15977	0.3
209.11778	0.9
211.13394	1.2
212.54022	0.2
217.15852	0.3
221.11760	0.4
223.13341	0.6
227.12898	0.8
229.14461	1.2
239.12880	0.4
247.20622	1.9
268.03534	0.2
273.18552	0.9
291.19662	11.6
292.19946	0.8
309.20737	7.3
327.21777	2.7
447.22168	0.4
489.27032	100.0
490.27386	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	490.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.7
61.98831	100.0
69.34589	0.6
71.01394	0.5
80.15720	0.2
98.86539	0.2
113.32132	0.2
166.02979	0.2
175.54976	0.2
191.05620	0.2
295.09534	0.3
393.76730	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.5
57.03445	1.2
59.01381	35.1
59.23307	1.3
62.97832	1.3
69.24078	6.1
71.01384	30.6
73.02955	6.9
75.32076	1.4
83.01381	4.8
85.02940	10.7
87.00874	1.7
89.02439	20.4
95.01403	2.7
99.00884	3.1
101.02448	21.2
109.02974	1.6
111.00885	2.3
113.02444	11.5
113.05900	1.2
117.03484	1.7
119.03493	2.9
122.94772	1.3
125.02466	2.9
131.03520	10.7
133.02921	1.5
135.04526	3.5
141.75053	1.4
145.02953	3.0
149.04570	7.8
152.21446	1.2
159.02873	2.0
160.68901	1.4
161.02454	2.3
161.04530	9.4
179.03548	1.3
191.05620	4.8
233.06512	2.7
248.92390	1.5
268.03815	1.9
269.04297	2.1
285.04083	1.7
288.06464	2.6
293.08734	1.8
296.06299	2.4
310.86505	1.4
315.18060	12.8
331.37509	1.5
431.09082	1.5
447.22342	100.0
448.22610	7.2
490.27414	2.2
491.28741	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	490.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32395	1.5
50.67478	1.7
52.99147	1.5
58.00584	2.1
59.01378	79.9
61.98841	9.2
66.92233	2.0
69.03457	1.6
69.26588	8.1
69.84126	1.7
71.01379	58.0
73.02940	13.1
85.02952	7.6
89.02444	83.2
92.30157	1.5
93.97223	1.5
99.00878	22.6
101.02434	30.6
110.20161	1.8
113.02455	14.7
116.28899	1.6
119.03497	13.6
121.72082	1.6
125.02442	4.0
131.03493	11.3
135.04547	2.1
143.03506	2.8
149.04558	51.6
161.02454	5.3
161.04503	4.4
164.12108	1.8
179.05624	10.0
191.05649	11.8
221.06630	4.5
238.29745	1.7
251.07704	3.8
259.85736	2.0
268.03687	3.6
269.04517	7.2
296.06064	11.1
296.56268	3.1
349.36688	1.8
447.22327	100.0
448.22525	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	490.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.9
61.98830	1.3
62.74757	0.6
65.05949	0.7
69.03426	0.7
71.46363	0.8
78.52879	0.7
78.95906	50.2
96.96967	2.9
140.01216	4.2
152.99590	10.9
158.47560	0.6
171.00644	11.6
178.74005	0.7
179.14459	1.8
182.02203	1.0
183.72298	0.7
187.22749	0.8
195.13916	8.4
196.03783	1.5
196.14618	2.0
197.78183	0.8
201.55614	0.8
214.04855	6.5
223.13374	6.6
239.12970	0.7
255.36272	0.7
256.13239	1.6
275.20184	5.3
293.21231	100.0
294.21558	4.7
392.18472	2.7
414.51236	0.8
421.19113	0.9
490.25763	69.4
491.26276	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	490.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.0
58.76511	0.7
59.01394	2.1
61.98825	1.2
71.18623	0.6
77.50400	0.6
77.57131	0.7
78.95901	16.1
78.96323	1.2
79.90266	0.7
97.06607	0.8
97.16924	0.6
113.09722	16.2
128.27315	0.7
139.11314	1.3
140.01196	2.3
152.99583	1.9
162.83827	1.0
164.56853	0.7
164.83658	0.8
166.83264	0.8
167.10751	2.3
171.00687	1.9
179.10811	2.1
195.13931	2.0
196.03824	1.5
214.04906	4.3
223.28517	0.7
249.22255	3.0
275.20096	1.1
293.21219	100.0
294.21521	5.6
425.76013	0.7
437.37375	0.8
490.25720	25.2
491.26004	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	491.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.3
61.98823	0.6
65.00320	1.2
67.58150	0.4
69.03451	0.6
69.38039	0.5
69.77782	1.0
69.89296	0.5
70.33862	0.5
71.01375	2.9
72.99298	0.5
73.02974	0.7
75.00883	0.5
80.02684	0.5
83.01381	1.5
85.02959	1.1
87.00854	0.7
89.02448	2.2
89.44530	0.5
91.01911	0.7
93.03476	0.6
95.01430	0.6
98.02480	0.8
98.21854	0.5
101.02425	2.5
107.01376	2.5
108.02173	2.3
109.02953	0.8
113.02435	0.8
125.02453	3.6
131.07141	0.5
133.02972	2.6
134.03735	4.4
135.00882	2.1
135.04568	3.0
136.01663	4.0
137.02431	0.9
149.06094	0.8
151.00372	8.7
152.01144	0.8
153.01915	1.5
155.03468	0.8
155.10735	0.9
158.03690	1.1
161.02438	7.1
161.04514	0.5
164.01147	12.8
167.03505	0.6
173.04483	0.8
174.03252	2.4
175.04065	0.6
177.01962	0.9
179.03514	1.8
184.31476	0.5
187.03963	0.8
188.66153	0.5
191.05577	1.1
191.07127	0.7
196.00128	1.8
196.05339	0.6
199.03943	3.0
200.04774	1.1
201.01942	3.2
214.06470	0.6
215.03493	1.1
215.07095	0.8
216.04166	0.8
221.04604	0.6
227.03468	0.8
230.06009	0.6
240.04178	0.6
241.04945	1.2
242.05811	5.8
257.08078	2.8
258.05286	1.6
267.16037	0.6
268.03760	1.1
283.06180	0.8
285.04153	1.9
286.04822	7.6
287.05313	0.6
301.07169	100.0
302.07501	5.8
323.07770	3.3
329.06570	0.7
343.08200	0.8
459.09311	0.8
491.14557	0.7
491.21399	0.9
491.29193	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	491.1198
Annotation	Burkinabin B
Peak:m/z	Relative Intensity
58.29915	0.6
59.01383	18.8
61.98816	0.8
62.89977	0.5
68.99819	0.7
69.03461	1.1
71.01379	8.5
71.47521	0.7
72.59818	0.5
73.02956	3.3
75.00874	19.5
75.53765	0.5
83.01382	0.6
84.95166	0.7
85.02948	2.5
87.00882	1.3
89.02437	9.2
93.03466	0.9
95.01375	0.9
96.96004	2.3
97.59210	0.5
99.00880	2.7
101.02449	6.1
103.00375	0.6
103.01495	3.5
105.03461	0.7
108.02183	1.1
109.02960	0.7
109.06585	3.4
111.00941	0.5
113.02473	2.5
117.03484	1.5
119.03510	1.0
121.02961	1.2
122.03735	6.3
123.04530	10.6
131.03500	0.8
132.02209	1.4
133.02957	34.8
134.03688	1.3
135.04536	12.2
135.08162	15.9
149.02496	1.0
149.04581	1.9
149.06065	0.7
153.09207	8.6
155.03545	1.0
161.02446	100.0
162.02826	2.2
166.97183	0.5
177.05566	0.9
179.03500	7.1
179.05679	1.0
179.07095	0.6
191.05650	1.1
197.08203	8.2
205.00005	0.6
221.04504	1.1
315.12460	1.3
317.16013	0.7
323.07486	4.5
329.08862	2.0
431.22943	1.0
447.12964	34.9
448.13284	2.4
473.10938	9.1
474.11588	1.1
491.11838	27.5
491.17947	28.1
492.12158	2.2
492.18469	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	491.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79257	0.8
59.01385	9.3
60.99306	13.6
61.98831	4.0
63.96237	3.4
64.97010	1.5
66.49692	0.7
69.03458	5.2
71.01382	6.4
73.02948	1.8
76.68888	0.7
85.02950	2.3
87.00870	3.2
88.98808	100.0
89.02444	53.2
92.15301	0.7
95.01344	1.0
95.05040	2.0
99.04549	1.4
101.02420	5.0
107.05046	1.4
113.02480	4.5
119.03535	1.5
125.06105	0.9
131.03462	1.2
133.02977	2.6
133.05048	5.3
135.04497	1.9
135.28076	1.0
139.30992	0.7
149.02486	0.9
149.04573	1.8
160.01639	1.1
161.02441	6.2
161.04576	1.5
167.03522	3.2
169.08763	1.8
171.50638	0.9
175.03998	1.3
179.03584	1.7
191.05649	1.2
209.01711	0.8
213.07689	5.2
315.12393	1.0
357.11975	2.0
375.12997	11.9
401.14560	2.4
429.13959	3.1
474.14001	3.5
491.10352	1.1
491.15857	1.8
491.21906	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	491.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.0
69.84731	0.9
70.51627	0.3
71.01384	3.7
73.02943	6.1
75.00874	0.9
85.02958	0.5
87.00867	1.0
89.02442	19.3
89.76127	0.2
101.02440	0.6
103.04018	2.3
120.39159	0.3
131.03496	6.3
140.42203	0.3
141.26093	0.4
149.04550	100.0
150.04912	1.8
348.51266	0.3
437.17276	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99602	1.7
59.01378	30.9
59.83236	0.6
61.98831	3.9
69.03449	0.8
70.52669	0.8
71.01382	15.5
72.97536	1.7
73.02938	4.7
75.00874	2.1
79.37868	0.5
79.95734	0.5
83.01391	1.0
83.05051	0.7
85.02956	3.7
87.00879	7.0
89.02444	17.3
91.05543	1.1
93.03477	3.1
93.55740	0.5
95.01411	1.0
96.96007	6.4
96.96963	1.0
97.02946	0.7
101.02448	7.6
101.90321	0.5
102.98585	4.8
103.00394	0.7
103.01513	3.2
103.02142	0.6
107.05025	0.9
109.06591	16.6
113.02447	3.9
117.07113	0.6
119.03519	1.6
120.99658	7.5
123.04529	0.9
125.02425	1.4
131.03513	5.0
131.85626	0.5
133.02977	3.0
133.06599	0.8
134.97598	0.6
135.04575	2.4
135.08162	65.0
136.08513	1.8
136.38852	0.5
148.04030	0.7
149.04558	4.8
153.09212	36.2
154.09511	1.1
160.04086	0.6
161.02454	7.0
161.04633	1.9
177.05624	0.7
179.03497	1.9
179.07079	1.0
191.05609	11.8
197.08186	54.4
198.08519	1.7
236.06570	0.5
248.77080	0.5
251.05591	0.8
253.09877	0.7
281.06723	1.4
283.04904	6.0
283.10794	0.8
285.12250	1.0
287.92499	0.5
329.11395	2.0
341.08707	1.0
447.12946	3.3
491.17639	100.0
492.17947	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	491.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10885	0.7
58.00600	0.8
58.63036	0.8
59.01382	78.0
60.01712	1.0
61.98833	2.1
69.03468	1.3
69.90546	2.7
71.01385	51.9
72.99321	1.1
73.02949	24.8
76.67421	0.7
77.65514	0.7
82.95409	1.9
83.01379	0.9
85.02950	6.0
87.00908	1.6
89.02448	100.0
96.96041	1.3
97.02973	3.5
99.00888	39.4
101.01784	1.7
101.02453	31.0
113.02449	8.3
115.04052	1.4
116.92879	3.3
119.03497	5.1
121.03038	1.2
125.02456	5.3
129.05592	0.9
131.03508	14.7
133.02948	2.1
133.05057	4.6
134.03741	1.1
135.04550	3.1
143.03500	1.2
149.02518	3.4
149.04564	53.2
150.03227	6.5
150.04945	1.3
161.02486	3.3
161.04568	3.2
162.02773	2.1
163.02916	1.8
164.04805	12.2
165.02016	0.7
165.05580	18.3
176.69405	0.8
177.01979	1.0
179.05659	1.6
179.07091	8.9
180.04324	0.9
182.05798	0.8
191.05632	13.8
195.06714	1.7
205.07216	2.3
211.90401	0.8
213.07724	1.7
213.09662	0.8
221.06723	2.7
233.06677	1.1
242.52539	0.8
251.07695	4.2
282.68750	0.9
293.08774	1.6
359.13211	1.0
371.47940	0.9
491.17740	81.2
492.18210	4.4
518.51044	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00612	0.8
58.99590	2.1
59.01380	25.9
61.98823	4.2
65.78336	0.6
69.03434	1.1
69.45670	2.9
71.01382	16.0
72.97530	1.0
73.02951	4.1
75.00865	1.3
81.22325	0.7
83.01356	1.0
83.05050	0.7
85.02934	3.6
87.00872	7.4
89.02447	18.5
93.03448	2.2
95.01396	0.7
96.96001	3.9
97.02934	1.2
98.22583	1.4
101.02444	8.5
102.98588	6.7
103.01497	2.1
107.05018	0.8
109.06590	17.2
113.02460	4.6
117.07121	1.1
119.03492	0.7
120.99664	6.4
125.02446	1.0
131.03491	4.4
133.02966	1.7
135.08163	69.9
136.08499	2.0
149.04559	4.9
153.09219	43.3
154.09555	0.8
161.02428	3.6
161.04576	0.9
179.03551	1.5
179.07231	0.8
191.05612	11.5
197.08199	58.0
198.08627	1.1
236.11559	0.7
281.06598	0.9
283.04932	6.6
293.08490	0.9
322.59674	0.8
389.31601	0.7
429.14316	0.7
491.17673	100.0
492.17886	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	491.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89886	0.6
57.03450	0.7
58.99606	19.7
59.01381	12.5
61.98803	1.1
65.16764	0.7
70.07178	1.2
70.07500	1.2
71.01381	12.4
73.02950	4.0
75.26645	0.7
83.01401	1.7
85.02945	4.6
87.00873	12.6
89.02444	6.0
95.01347	0.8
98.22623	0.9
99.00874	1.7
99.04556	0.7
101.02453	9.1
102.98598	96.7
108.02192	4.1
109.02943	6.0
113.02467	5.2
119.03476	1.7
120.99615	1.0
123.04519	1.8
133.02902	0.8
134.03717	1.0
135.04546	1.1
152.01132	4.7
153.01971	3.8
159.02942	1.3
160.01701	1.7
161.02438	2.3
161.04585	5.4
175.03961	1.6
179.05560	1.2
205.07118	0.7
249.06110	5.6
283.04938	100.0
284.05319	2.0
294.36914	0.7
311.08844	0.7
315.07077	1.5
399.82013	0.8
426.78616	0.8
431.22986	1.0
491.11923	10.8
492.12149	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2664
Annotation	Mucronine B
Peak:m/z	Relative Intensity
59.01373	0.9
61.74020	0.4
61.98824	0.9
62.65480	0.5
66.03484	1.2
66.12611	0.4
68.38741	0.4
69.30286	2.3
69.92721	0.5
71.02516	3.1
77.81885	0.5
82.01694	0.6
91.05536	1.2
96.95969	0.5
97.00457	0.7
98.01248	0.5
98.22606	0.9
99.02015	0.5
104.93192	0.4
110.03605	1.2
111.02041	0.8
113.07204	0.6
115.08775	10.5
116.05058	2.0
118.06643	3.8
125.07198	3.6
126.05586	1.7
127.76992	0.5
130.29672	0.4
141.06708	4.4
141.30518	0.6
143.08252	0.6
146.06114	10.1
152.08267	1.3
153.06685	1.3
153.09018	0.6
157.05280	0.7
162.83926	1.9
163.08772	1.5
164.83592	1.0
167.11919	0.6
168.07738	1.1
169.13448	0.9
170.09358	3.1
171.10120	0.6
173.07193	1.2
179.11900	4.4
192.58018	0.5
194.12943	1.0
196.14584	1.1
197.08209	0.9
197.12973	1.2
200.10803	1.5
202.12416	1.0
214.15578	4.7
217.13464	1.1
222.12439	1.1
227.11929	2.2
228.10329	2.6
240.07764	0.9
240.13367	0.9
244.14505	0.6
245.13081	3.0
248.10849	0.7
262.15656	3.3
269.16064	0.9
283.17963	0.5
309.10257	0.6
310.15610	0.7
326.18756	5.8
344.19720	2.3
473.25397	0.7
491.26636	100.0
492.26968	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	491.278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04900	15.3
54.01546	12.4
54.58493	13.5
61.98825	33.0
78.95890	31.9
116.92847	20.0
152.99579	24.0
181.12274	21.1
192.27731	17.2
201.78064	16.0
277.21671	100.0
296.13251	15.9
334.78745	15.7
473.23013	41.5
491.33884	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04617	20.7
61.98834	34.8
68.94648	23.0
69.60200	100.0
77.87415	21.7
84.07707	20.7
109.83189	22.2
123.04613	23.3
238.28955	25.2
265.21561	33.2
303.24780	26.0
370.19653	25.9
486.97397	24.0
491.26559	27.8
499.44696	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2861
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
55.01871	0.7
57.03450	0.6
59.01380	29.9
61.98820	0.7
69.03442	0.9
71.01381	17.1
72.99319	0.8
73.02939	2.0
83.01383	1.6
85.02961	4.7
87.00880	1.1
89.02449	12.0
95.01379	1.5
97.02935	0.4
98.22511	0.4
99.00918	0.9
99.08146	1.0
101.02447	9.9
111.04646	0.4
113.02447	4.6
119.03494	3.2
119.05050	0.6
125.02511	0.5
125.09655	0.6
131.03510	0.4
133.02953	1.3
135.04529	1.8
139.11256	0.4
149.04524	1.1
151.00395	0.5
161.02463	2.9
161.04568	0.6
162.02823	0.5
163.11310	0.4
171.10249	1.1
172.67885	0.4
173.04585	0.5
179.03477	1.6
183.13873	0.8
191.05598	1.0
193.12416	0.4
209.11798	0.5
211.13377	6.1
229.14435	3.7
236.39400	0.4
249.22243	0.8
268.03897	0.6
269.04416	2.6
270.04837	1.3
280.05890	0.7
281.06802	0.4
293.21246	8.4
296.06125	0.8
296.56226	0.4
311.18878	0.6
311.22226	4.3
329.23331	7.4
359.13998	0.4
371.14893	0.9
388.31027	0.4
401.16754	0.4
448.22644	1.6
491.28616	100.0
492.28992	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	492.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	13.9
61.98828	2.4
63.70615	1.1
63.99209	1.0
69.03440	1.8
69.44968	1.9
69.45373	3.6
69.95300	1.0
71.01392	5.7
73.02946	2.1
83.01347	1.3
85.02937	2.5
87.00851	5.6
89.02438	6.8
90.84091	1.0
94.76502	1.0
98.21918	2.1
99.00853	2.0
101.02441	5.5
108.02161	8.2
109.02943	3.5
113.02436	3.0
117.03472	1.4
119.03468	1.8
119.05040	1.7
120.04538	3.2
121.05308	1.4
122.06126	13.8
130.68567	1.0
132.94031	1.0
133.02962	33.7
134.03714	1.9
134.06161	1.6
135.04524	24.3
136.07672	4.0
138.01976	97.5
138.05592	7.6
139.02332	1.5
145.02975	7.1
146.03564	1.3
147.04524	7.5
149.04584	1.2
149.06070	2.7
150.05623	20.2
152.07138	2.6
161.02448	93.3
162.02812	2.0
162.05655	1.6
173.02493	8.3
176.07175	1.2
177.05540	3.4
179.02023	1.5
179.03497	20.0
179.05238	1.4
179.05569	1.1
179.24249	1.1
191.03481	2.1
221.04538	5.4
238.08708	3.3
248.07066	3.3
250.08665	2.1
251.05644	3.9
252.92970	1.2
264.06693	1.5
266.08252	9.9
268.09741	6.7
276.06537	6.8
277.07214	1.8
278.04465	2.0
279.05405	10.3
281.06531	4.5
292.06122	1.7
293.06808	2.4
294.07724	45.0
295.07935	2.5
300.10910	1.1
312.08286	2.0
312.11279	2.0
330.11804	3.1
354.09708	2.7
354.95300	1.1
364.05994	1.4
414.12051	2.0
432.15549	2.0
462.13962	11.9
474.14044	100.0
475.14554	7.6
492.15048	39.6
493.15552	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	492.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
59.01384	1.9
61.98844	1.0
69.83652	1.0
69.83975	0.4
78.95901	23.4
85.79211	0.4
96.96970	1.2
113.09718	1.9
118.53835	0.4
140.01195	2.8
149.12605	0.4
152.11620	0.4
152.99600	3.3
171.00656	2.7
179.14433	1.3
181.12354	0.6
186.15065	0.4
195.13893	19.1
196.03772	2.2
196.14250	0.5
214.04839	4.6
260.40656	0.4
267.39926	0.4
277.18652	0.9
277.21725	15.8
295.22763	100.0
296.23117	3.7
474.35703	0.5
492.27301	39.0
493.27524	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	493.0985
Annotation	Hibiscetin 8-methyl ether 3-rhamnoside
Peak:m/z	Relative Intensity
59.01379	5.5
60.11852	0.6
64.16235	0.6
69.03441	2.0
69.69059	0.5
71.01373	2.4
79.01888	0.7
79.68525	0.6
81.03441	1.4
83.01370	1.0
85.02934	1.2
89.02433	2.8
95.01388	1.3
97.02931	1.2
101.02426	1.5
107.01382	0.6
113.02463	1.8
121.03030	0.6
123.00896	4.0
124.01655	15.8
125.02447	43.4
133.02956	6.9
133.57506	0.7
134.03758	0.9
135.04498	5.9
137.02464	1.1
148.62758	0.6
149.99583	30.3
151.00314	2.1
153.47240	0.6
155.10815	1.5
157.74579	0.6
161.01085	1.1
161.02435	21.7
161.04504	1.2
162.02826	0.9
167.03471	0.8
168.00633	64.9
169.01410	6.4
179.03525	2.7
187.00340	1.5
193.01273	0.7
199.09775	1.1
313.05630	7.1
331.06674	59.3
332.07169	2.4
403.16614	0.6
433.24414	4.0
449.10751	0.8
451.32770	1.2
475.08728	1.3
493.09857	100.0
494.10208	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	493.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01444	11.1
59.70581	0.6
61.98868	0.8
66.38245	0.7
69.03528	1.9
71.01460	7.0
72.97618	0.6
72.99391	0.6
73.03018	2.3
73.97851	0.6
81.03516	0.9
83.00986	0.7
83.01424	1.2
85.03021	1.5
87.00943	0.8
88.98858	1.3
89.02459	7.2
93.03551	2.3
95.01473	1.4
97.03053	1.8
99.00945	1.1
99.16410	0.6
101.02443	7.0
105.01991	0.7
107.01460	0.9
113.02433	3.1
119.03587	2.4
123.00877	3.4
124.01678	10.4
124.07857	0.7
125.02452	42.2
131.03578	0.7
133.02954	5.3
134.03758	3.8
135.04526	8.3
136.01765	2.7
137.02475	3.6
143.03568	0.7
149.04584	1.1
149.06203	1.7
149.99593	20.8
151.00424	4.0
151.04016	3.7
152.03590	0.7
161.02437	11.2
161.04671	1.6
167.03551	2.1
168.00644	57.4
169.01431	9.6
178.02904	0.7
179.03537	3.5
179.05559	3.6
181.05257	1.1
191.05707	1.0
193.05211	0.8
207.03674	0.6
221.06749	0.7
281.06567	3.9
313.05679	9.0
317.13043	0.7
331.06714	100.0
332.06958	3.8
361.18878	0.8
393.77576	0.7
433.11420	1.5
433.24353	2.4
457.16843	0.9
475.12344	1.1
493.09720	50.2
493.22641	4.2
494.09946	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	493.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48073	0.9
57.03432	1.3
58.00585	1.2
59.01376	17.7
59.80163	0.9
61.98595	0.8
61.98836	11.2
69.03455	1.9
69.46989	2.2
69.47382	2.7
71.01379	14.8
72.99286	1.6
73.02929	4.5
73.53801	1.1
85.02948	10.2
88.98769	1.5
89.02438	13.8
91.01897	2.7
97.02961	2.1
99.00877	3.9
99.04533	1.1
99.78161	1.0
101.02456	8.6
109.02973	1.4
113.02435	3.8
119.03492	1.1
125.02442	3.0
131.03488	3.3
133.02957	21.1
134.03743	1.1
135.00859	2.6
135.04524	31.5
136.04947	1.2
137.02481	1.3
137.09698	3.8
138.01976	2.8
143.03453	1.8
148.05228	1.1
149.04524	4.7
149.06017	3.4
161.02446	100.0
162.02774	4.3
167.03528	9.4
168.00606	1.5
168.03845	3.7
169.03975	2.2
177.05585	9.9
179.03502	43.6
179.05101	2.3
181.08698	8.9
191.05566	2.9
221.04570	17.4
221.06544	2.1
251.05577	14.7
281.06644	22.5
281.09479	2.1
290.41635	1.1
293.08908	1.2
331.06537	2.7
341.08752	37.3
342.09274	1.3
361.14877	1.5
383.09839	40.7
384.10184	2.4
397.11224	3.0
430.14441	2.1
439.12241	2.9
457.13504	27.1
458.81516	1.2
475.14417	4.0
493.09192	1.4
493.18747	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	493.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02159	1.2
59.01378	4.7
61.98840	2.9
69.12652	3.0
69.13045	5.7
71.01381	2.4
73.74136	1.6
78.96265	1.4
89.02451	1.6
93.77901	1.2
101.02449	1.9
107.01407	4.3
108.02193	4.6
114.32573	1.4
121.02958	23.9
125.02464	4.5
134.03754	5.3
135.04579	3.0
136.01630	6.2
137.02425	1.2
144.16882	1.2
149.06073	1.5
151.00362	11.1
158.03694	1.3
163.07658	1.4
164.01152	17.2
174.03220	2.8
177.05489	1.4
191.03531	17.7
191.05428	2.2
196.00209	2.8
196.28485	1.2
199.03961	2.1
201.01921	4.6
202.85963	1.3
211.64156	1.3
215.03581	2.4
217.22342	1.4
227.03525	2.0
242.05794	7.1
257.08441	2.3
258.05374	2.1
285.03897	1.8
286.04834	9.5
301.07169	100.0
302.07510	4.9
331.16571	1.7
449.24652	1.4
493.21368	2.1
493.35568	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	493.1139
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
61.98833	4.4
63.02407	0.9
65.00323	2.3
70.00694	2.1
83.01387	1.3
97.53356	0.6
101.02448	0.7
105.03452	0.9
107.01387	2.8
121.02928	0.9
125.02430	1.4
133.02946	13.0
149.02434	2.8
151.00366	10.5
175.03984	4.8
179.03452	0.9
182.03735	0.7
183.04453	1.4
191.05598	0.7
199.04013	2.4
201.01999	1.5
215.11627	0.7
217.05090	2.0
227.03513	3.4
241.05011	1.1
243.03000	1.2
255.02974	50.0
256.03720	34.4
257.04108	2.1
268.03745	0.8
281.04565	1.1
283.02466	72.3
284.03244	94.1
285.04022	100.0
286.04333	3.7
298.05014	1.1
327.05164	1.0
427.17654	0.8
462.35196	1.1
463.10104	0.8
465.15530	1.1
475.10394	1.8
493.10959	15.5
494.11603	1.4
504.02029	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.1
59.61351	0.7
60.99306	15.0
61.98810	1.1
70.53404	0.7
70.71941	1.3
71.01381	4.7
71.89795	0.7
79.63226	0.6
83.01398	1.2
85.02948	1.6
87.00883	1.3
88.98807	100.0
89.02454	3.5
101.02464	3.7
113.02454	1.0
119.03537	1.1
121.02987	0.9
125.02441	3.4
125.24808	0.8
133.02940	2.2
134.03787	1.3
135.04494	2.3
137.02458	1.8
149.06088	0.8
149.99588	1.6
161.02449	3.1
161.08179	0.8
168.00604	4.4
169.01378	1.0
177.01892	1.8
179.03499	1.8
179.05554	1.0
221.20020	0.7
281.06647	1.3
330.19525	0.7
331.06723	9.7
433.24362	0.9
493.10172	3.8
493.22574	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1715
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
51.69246	0.4
55.01901	0.5
59.01379	11.0
60.29509	0.4
61.98828	10.0
63.99249	0.7
64.05296	0.4
69.03445	0.4
69.68865	0.5
69.69210	1.4
71.01382	4.5
73.02936	0.8
83.01386	0.7
85.02951	1.3
89.02443	3.8
95.01383	0.6
99.00869	0.5
101.02448	3.2
105.03479	0.7
113.02451	1.2
117.03483	0.9
119.03514	1.1
132.02197	1.4
133.02956	30.8
133.70068	0.4
134.03734	1.1
135.04527	12.3
137.02411	1.0
149.06091	0.6
161.02444	100.0
162.02808	2.4
163.04123	0.4
173.04491	0.4
177.01913	0.7
177.05568	1.4
179.03506	7.3
179.05244	0.6
179.05560	0.5
221.04608	1.5
251.05571	1.3
268.03571	0.4
281.06723	1.8
314.29416	0.4
316.03802	0.4
331.12036	1.0
361.18600	2.0
433.24139	0.5
493.17053	67.0
493.23071	8.8
494.17392	4.4
494.23511	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
57.84175	0.6
59.01381	38.5
61.98818	0.8
69.03469	3.5
69.66645	0.8
69.66978	2.1
71.01385	26.7
73.02941	11.8
73.54795	0.8
75.64629	0.6
83.01379	1.1
85.02925	3.7
87.00865	4.0
89.02445	42.5
95.01337	0.7
98.22559	1.2
99.00879	21.3
101.02451	14.2
113.02445	10.0
119.03516	1.9
125.02453	2.7
131.03516	6.5
137.09724	3.8
143.03407	0.8
148.82420	0.6
149.04556	12.6
161.02461	1.2
161.04573	1.8
173.04485	0.8
181.08777	1.4
191.05602	6.9
220.29814	0.8
475.18063	2.1
493.19278	100.0
494.19781	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	493.2078
Annotation	Glaucarubinone
Peak:m/z	Relative Intensity
59.01376	5.8
60.73551	0.4
61.98827	2.5
68.99815	1.3
69.03455	0.7
69.48361	1.8
71.01381	3.9
73.02946	0.5
75.00865	0.5
83.01366	0.5
84.95121	1.3
85.02953	1.3
89.02445	2.4
93.03457	1.7
95.01389	0.4
99.00859	0.8
101.02431	3.6
105.03502	0.7
107.04965	0.4
113.02438	1.4
117.03455	1.2
121.02895	0.4
121.19646	0.4
131.03465	0.5
132.02187	1.7
133.02954	35.7
134.03671	1.6
135.04518	9.9
137.02449	2.8
140.02898	0.4
145.02954	0.9
149.04552	0.5
151.03996	0.6
158.01482	0.3
159.04489	2.9
161.02440	100.0
162.02736	2.3
163.03955	0.4
165.05418	0.5
173.04547	0.6
179.03479	5.0
191.05638	0.9
211.05969	0.5
211.07834	0.5
221.04517	0.7
225.92877	0.5
229.04839	0.5
229.08478	0.4
251.05783	0.5
265.07568	1.0
281.06497	0.4
297.50714	0.4
313.11008	0.5
331.11914	0.7
340.04919	0.4
343.26691	0.4
405.61511	0.4
475.20294	0.6
485.94778	0.4
493.20822	73.9
494.21207	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	493.2292
Annotation	Rhodioloside B
Peak:m/z	Relative Intensity
55.01880	1.2
57.03448	1.3
58.00589	1.5
58.59213	0.5
59.01381	100.0
60.01731	0.7
61.98832	1.6
69.03456	0.9
70.62243	1.1
71.01382	51.5
72.99303	2.7
73.02959	4.6
75.00898	0.8
83.01391	3.7
85.02952	11.3
87.00883	3.9
88.98833	0.7
89.02448	59.5
90.02811	0.6
93.03441	1.1
95.01394	4.2
97.02978	0.6
99.00909	1.7
101.02448	36.0
105.01938	0.7
109.02981	0.8
111.00938	0.6
113.02453	22.4
115.34574	0.5
119.03509	30.5
125.02427	3.0
131.03493	3.1
133.02945	1.1
133.05093	0.7
134.03709	0.8
135.04596	1.3
135.98413	0.5
137.02448	1.1
143.03514	5.2
149.04539	3.2
149.99614	1.1
150.03268	0.6
151.00349	0.7
159.02930	0.6
161.02452	3.7
161.04570	6.4
165.05533	0.7
168.00726	1.7
169.01343	1.0
179.03566	0.9
179.05623	12.8
181.05107	1.4
191.05634	0.8
267.07153	1.0
281.06671	0.7
313.16537	0.7
331.06711	5.2
331.12979	2.6
331.17596	2.0
345.15561	0.8
361.18542	0.6
431.13486	0.8
433.24527	1.7
455.11371	0.7
493.23001	55.6
494.23508	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	494.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.6
61.98828	100.0
69.33139	1.2
69.33480	0.4
71.01386	0.6
89.02469	0.6
101.02448	0.3
108.44259	0.2
113.02428	0.4
114.53903	0.2
151.00446	0.4
159.44539	0.3
161.02469	0.3
179.05646	0.3
240.04391	0.3
268.03754	9.5
269.04483	3.6
298.45892	0.2
431.09811	12.5
432.10120	0.6
443.02765	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00336	8.4
57.03443	0.6
59.01373	3.9
61.98832	31.2
64.01917	4.5
65.99848	11.2
71.01384	3.1
73.02944	0.8
75.00866	4.8
75.05252	0.6
81.03448	2.1
83.01370	2.1
85.02932	1.0
89.02456	1.8
92.01421	59.7
93.03481	0.9
95.01363	0.8
95.05039	0.9
101.02443	1.9
109.02923	1.7
113.02454	0.7
118.08363	0.6
119.03477	0.9
120.00918	43.5
121.01228	0.6
123.04529	17.6
124.01672	0.7
124.04887	0.6
125.02462	3.1
135.04523	1.4
137.02403	1.3
142.29019	0.6
149.02432	1.1
151.00323	0.8
153.01942	1.7
161.02470	2.6
162.01891	1.0
163.99896	100.0
165.00310	2.2
165.01895	1.0
167.03494	47.4
168.00670	1.7
168.03792	1.1
179.03502	1.6
181.05078	1.5
191.01883	1.0
191.03517	11.0
191.05531	1.7
209.04501	3.9
221.04587	1.2
242.04488	0.7
268.03827	2.9
270.04053	1.5
284.03253	2.8
285.03937	3.0
287.04333	2.0
288.05115	2.5
289.05609	0.6
329.08829	2.8
332.04053	2.5
431.09845	8.3
432.09738	0.7
493.30359	1.6
494.09653	6.6
494.16153	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09420	1.5
59.01382	100.0
61.98827	16.2
65.48744	1.6
68.99819	12.5
69.03448	13.1
70.03731	1.4
71.01385	64.7
72.99301	2.0
73.02924	1.9
74.41984	1.3
83.01373	2.9
85.02941	9.0
87.00886	2.4
89.02448	69.4
93.03494	2.8
94.38418	1.5
95.01379	3.3
98.21912	1.7
99.75533	1.6
101.02452	51.5
109.02963	1.8
113.02451	22.8
119.03508	22.7
121.02909	1.9
125.02465	2.4
125.07980	1.5
131.03506	2.6
133.02957	2.0
135.04562	3.0
135.10561	1.6
137.02478	2.1
143.03525	3.3
149.04552	2.5
150.09216	11.7
151.00374	2.0
161.02426	5.0
161.04585	2.0
179.05608	5.5
181.05092	3.5
191.05632	2.4
202.08748	6.3
230.08142	2.6
230.11897	6.8
244.09813	2.5
262.10837	12.1
268.03644	2.3
314.13953	5.7
332.14618	1.9
332.25012	1.6
373.66776	1.6
398.50604	1.6
429.83408	1.6
431.10126	2.3
494.20517	3.1
494.30695	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	494.335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	1.9
61.98830	1.0
69.37386	1.0
69.37773	1.0
71.01375	1.4
81.03455	1.4
82.68156	0.4
83.05030	7.0
89.02441	1.1
101.02435	1.3
109.60806	0.5
125.07140	0.5
153.01979	0.5
156.35315	0.5
161.02394	0.5
161.04651	0.7
207.15071	1.1
217.93256	0.4
224.17651	1.9
225.16130	6.1
265.41660	0.5
279.41739	0.5
295.05759	0.5
305.40527	0.5
324.26428	0.7
333.22986	1.6
351.24161	0.8
367.27011	0.9
433.31760	4.4
434.24976	0.7
451.32877	100.0
452.33221	7.0
494.33401	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1143
Annotation	tarocin A1
Peak:m/z	Relative Intensity
57.03433	1.5
59.01376	15.9
60.01695	0.8
61.98795	1.3
69.03432	1.0
71.01378	15.5
72.99306	0.6
73.02940	4.5
75.00868	1.6
79.01900	0.8
81.03439	1.2
82.55491	0.6
83.01404	3.0
85.02943	7.0
87.00864	1.7
88.04506	0.5
88.98802	0.7
89.02443	6.7
93.03425	1.0
95.01383	1.9
97.02937	1.5
99.00880	2.2
101.02441	13.3
102.59073	0.5
105.01833	0.6
107.01389	2.1
108.02172	52.3
109.02955	35.4
109.50066	0.5
111.00854	2.1
111.48172	0.6
113.02456	6.3
118.96938	0.6
119.03467	2.8
121.02954	4.9
123.00874	4.9
123.04512	0.9
124.01653	2.6
125.02429	2.0
127.00338	1.4
133.02946	2.5
135.00864	1.7
135.04524	1.3
136.98766	1.0
137.02452	8.2
137.09679	0.7
138.03233	5.3
139.00380	1.2
139.04022	4.1
151.03969	1.1
152.01154	49.6
153.01932	25.7
153.05534	2.9
154.02647	0.8
155.10788	5.1
159.02965	0.7
159.22479	0.6
161.02444	4.2
161.04553	3.5
166.99770	1.9
167.03461	1.0
168.00673	2.7
177.01918	1.0
179.03432	0.8
179.05583	0.7
181.01418	1.8
182.02225	5.0
183.02977	11.1
191.05580	1.4
197.04572	7.2
199.09761	1.3
225.03955	1.6
241.10680	0.9
247.45872	0.7
285.67166	0.7
291.85294	0.6
297.06198	1.3
299.07721	1.6
311.07632	1.1
312.04883	0.6
315.07211	3.9
326.06342	0.8
327.07196	9.3
333.19116	7.2
341.08643	3.8
347.16968	2.8
409.37589	0.6
451.12378	3.5
451.21652	0.9
452.22412	1.0
456.14984	0.7
463.08704	2.7
464.41794	0.6
464.49463	0.6
495.11401	100.0
495.24115	14.2
496.12140	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	495.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38671	0.8
59.01379	15.9
61.98823	4.0
69.11354	4.8
69.11763	1.9
71.01379	10.9
72.36134	0.9
73.02948	3.9
73.15039	1.0
85.02951	3.6
86.63651	0.9
87.00903	1.1
88.98822	1.0
89.02451	12.1
94.00417	1.0
97.17118	0.8
98.21848	1.5
98.96458	1.1
99.00876	3.0
99.04522	6.9
101.02443	9.1
107.05019	1.4
109.02969	1.2
110.83289	0.9
113.02431	2.6
117.05735	0.9
119.03549	2.4
124.46462	1.0
133.02975	11.5
134.03729	3.6
135.04527	78.2
137.02373	1.8
149.04515	3.8
153.01915	1.8
161.01089	2.2
161.02441	46.0
162.02930	1.0
177.83081	1.0
179.03494	61.3
180.03819	1.9
297.06216	1.9
359.50333	1.2
363.16260	1.6
395.15588	4.6
459.15073	100.0
460.15421	4.9
495.20862	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.5
61.98830	25.2
62.98522	0.3
69.03455	1.0
69.16403	1.8
69.16704	0.4
71.01379	1.9
81.90166	0.3
89.02440	1.4
93.03459	42.2
94.03764	0.3
101.02453	0.9
109.02965	1.4
113.02472	0.6
125.02417	0.3
133.06599	1.1
137.02446	100.0
138.02759	1.7
151.07622	0.4
153.01959	2.2
161.02464	0.8
177.05505	0.8
268.03516	0.5
269.04175	1.3
270.04691	0.4
341.08823	0.7
344.65604	0.3
357.11877	0.3
375.12869	0.6
432.10019	2.1
453.98502	0.3
495.31442	0.9
502.73053	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1508
Annotation	Negundoside
Peak:m/z	Relative Intensity
59.01377	2.5
61.98830	25.2
62.98522	0.3
69.03455	1.0
69.16403	1.8
69.16704	0.4
71.01379	1.9
81.90166	0.3
89.02440	1.4
93.03459	42.2
94.03764	0.3
101.02453	0.9
109.02965	1.4
113.02472	0.6
125.02417	0.3
133.06599	1.1
137.02446	100.0
138.02759	1.7
151.07622	0.4
153.01959	2.2
161.02464	0.8
177.05505	0.8
268.03516	0.5
269.04175	1.3
270.04691	0.4
341.08823	0.7
344.65604	0.3
357.11877	0.3
375.12869	0.6
432.10019	2.1
453.98502	0.3
495.31442	0.9
502.73053	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1657
Annotation	Gilvocarcin E
Peak:m/z	Relative Intensity
57.03442	1.9
59.01361	0.5
61.98807	0.6
65.00318	3.8
70.96172	0.6
72.69466	0.3
81.03465	0.4
83.01402	1.9
93.46040	0.3
107.01384	5.9
123.04543	0.9
124.01652	0.8
125.02437	10.3
125.43576	0.3
137.02466	0.4
146.03763	0.5
151.00363	19.4
152.00722	0.5
159.04478	0.4
160.05322	0.8
161.02403	2.1
165.01904	1.5
167.03487	1.3
172.05287	6.2
173.06033	0.5
174.06810	0.5
175.04010	0.9
175.21973	0.4
183.02879	0.3
183.04506	0.9
186.06903	0.8
187.03995	0.8
188.04828	0.5
196.05212	0.5
198.03154	0.5
199.04041	1.0
200.04739	2.2
201.09204	0.4
202.06416	0.9
209.06033	0.5
210.06845	0.8
211.04059	0.5
212.04794	0.6
213.05441	0.5
214.02734	0.5
214.06323	0.5
223.07579	0.7
224.04819	2.1
225.05598	0.6
226.02731	0.9
227.03467	1.6
238.06322	1.8
240.04321	2.5
241.05025	0.7
243.02902	0.6
248.04605	0.4
249.05568	0.6
250.06442	0.5
251.07133	0.5
253.05045	1.2
254.05830	0.5
255.02939	0.5
255.13954	0.4
256.03787	1.4
261.05713	0.6
262.06183	0.4
264.04205	1.3
265.04993	1.3
266.05734	1.0
267.03006	0.4
277.05023	1.0
278.05963	0.9
279.06479	0.5
280.07556	0.8
281.04538	0.5
283.02451	1.6
284.03268	9.8
285.03769	1.1
293.04535	0.7
294.05258	0.8
297.14908	0.9
305.04611	0.9
306.05206	1.4
307.06097	1.2
307.13391	0.8
308.03302	1.9
309.04028	11.5
310.04227	0.5
322.04776	5.1
323.05588	3.3
323.12979	0.5
325.14453	4.0
334.04773	1.4
335.05600	1.4
343.15369	1.3
349.14557	0.7
351.05032	1.0
351.12390	2.9
352.05743	1.4
354.03552	0.7
367.15344	1.9
369.13351	4.7
391.15479	0.8
393.13269	0.5
407.15103	0.5
409.16461	0.9
418.85272	0.4
433.12802	11.4
433.18243	0.7
434.13223	0.6
451.13950	12.9
452.13983	0.9
477.15424	2.7
495.16583	100.0
496.16919	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	495.1661
Annotation	Gilvocarcin E
Peak:m/z	Relative Intensity
57.03447	7.3
59.01376	1.6
61.98820	3.8
63.02392	2.5
64.59691	0.6
65.00325	12.9
69.18059	1.2
69.18469	3.2
78.37183	0.6
83.01382	7.1
83.05058	0.8
87.96362	0.7
93.03494	0.8
101.58212	0.7
107.00702	1.3
107.01392	16.4
107.02121	0.9
109.02950	0.8
114.80231	1.0
123.04488	1.6
124.01681	0.8
125.02446	98.3
125.09650	0.8
132.02249	1.0
146.03751	1.0
148.05325	0.8
149.02455	1.1
151.00372	36.7
152.00810	0.7
158.03751	1.1
159.04460	0.9
161.02428	1.9
165.01891	1.3
166.05922	0.7
167.03558	0.9
171.10239	3.6
172.05341	7.2
174.03220	3.1
177.01901	1.0
185.06024	1.3
186.06819	6.6
187.07600	0.8
188.04736	1.4
197.06161	0.7
199.03964	0.9
199.07690	1.4
200.04810	1.2
211.03990	1.5
212.04747	5.7
224.04875	0.8
227.03549	1.0
228.04341	1.3
229.46745	0.7
231.14035	0.9
233.15446	2.9
240.04271	2.3
241.04721	1.0
249.14966	2.6
251.03474	1.0
255.02959	1.0
255.13936	1.3
256.03738	2.6
262.06555	0.9
266.13223	0.7
269.15454	0.9
281.15387	2.3
282.01740	1.2
283.02478	1.9
284.03226	11.9
295.02563	1.7
296.03302	8.3
297.03882	2.9
297.14972	21.4
298.05002	1.1
307.13156	0.8
309.04025	7.7
315.16010	15.9
321.14850	1.4
323.12708	1.0
325.14517	7.5
338.04193	0.9
339.15897	1.1
341.13904	5.6
343.15500	22.6
344.15671	1.1
349.14676	0.8
359.26297	0.8
367.15417	6.8
369.13434	35.7
370.13690	2.0
381.17618	1.2
385.23749	1.0
391.15594	6.1
403.24789	3.2
405.17334	1.2
409.16791	1.2
421.26111	6.1
433.16254	3.7
449.16119	5.5
459.14413	1.6
461.02930	0.7
467.17215	7.1
477.15543	15.5
477.28635	2.1
478.15909	1.4
495.16592	100.0
495.29483	8.8
496.17126	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	495.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.7
59.01377	40.6
67.01859	1.0
68.99810	1.3
69.03435	2.4
70.42125	1.1
70.42443	1.0
71.01378	30.5
72.83389	0.8
72.99300	1.1
73.02948	12.9
75.00854	1.6
78.15839	0.7
83.01401	4.5
85.02950	10.4
87.00871	3.8
89.02442	26.1
89.02999	1.5
92.77206	0.8
93.03457	4.8
95.01404	2.4
97.02959	2.4
99.00885	5.9
101.02438	25.3
105.01955	1.2
109.02917	1.5
111.00885	1.8
113.02432	9.7
115.04018	1.5
119.03518	4.4
125.02398	2.5
131.03473	5.6
133.02943	3.2
134.03764	1.2
135.04532	5.8
137.02434	2.9
143.03444	1.6
149.04565	6.8
149.05762	1.1
150.03207	1.5
153.01932	2.1
159.03046	1.0
161.02443	9.7
161.04555	2.1
165.05531	1.6
167.03487	1.2
171.06587	0.9
173.04553	1.0
177.05626	1.9
179.03513	7.5
183.10164	0.8
185.04494	1.7
191.05582	7.4
198.80461	0.7
221.04538	2.0
225.62920	0.8
251.05592	1.4
273.09790	1.2
281.06625	4.4
289.16794	0.9
341.08606	2.6
345.15421	2.6
363.16650	1.8
435.18756	2.4
437.14487	0.9
449.19977	1.3
457.13391	3.8
459.14804	2.6
465.19983	1.7
477.19754	17.5
478.19925	1.7
495.20807	100.0
496.21179	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	495.2084
Annotation	Selexipag
Peak:m/z	Relative Intensity
55.01880	11.0
57.03487	2.8
59.01379	36.4
61.70176	0.7
61.98865	2.1
67.46319	0.7
69.24886	3.0
71.01379	31.9
72.99347	1.2
73.02949	13.5
73.48621	0.6
75.00869	8.8
78.91940	3.4
83.01378	9.5
85.02948	17.9
86.00149	2.5
87.00877	1.4
88.98849	2.3
89.02434	7.5
93.02995	0.7
93.03523	3.2
95.01434	2.2
95.25974	0.8
97.02954	1.1
99.00887	7.5
101.02443	37.6
111.00931	2.0
113.02444	12.3
115.84505	0.8
117.05715	0.7
119.03568	2.0
129.02010	2.3
136.54401	0.8
137.02434	7.6
147.02986	6.5
149.04590	1.5
159.03073	1.2
161.02484	2.5
161.04634	2.1
185.11900	2.9
191.05611	0.9
241.05037	1.1
247.80252	0.8
271.09738	2.0
347.17084	100.0
348.17398	5.0
495.20746	97.0
496.21207	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	495.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	46.3
61.98825	26.5
65.90847	1.2
69.10416	3.3
69.10822	4.9
71.01380	42.3
72.99332	1.4
73.02944	14.9
82.83986	1.2
83.01374	4.0
85.02943	11.0
87.00877	3.2
88.98826	1.6
89.02443	47.0
98.21806	1.4
99.00884	12.0
99.04520	55.7
101.02450	28.8
104.94790	1.3
113.02448	13.5
115.04028	1.6
119.03513	8.4
125.02449	2.5
131.03520	6.1
133.02954	10.2
134.03740	2.9
135.04524	71.7
136.04840	1.8
137.02437	1.3
143.03532	1.8
149.04510	11.1
161.02441	36.2
161.04555	5.8
179.03493	56.2
180.03793	1.7
191.05592	4.8
201.11359	2.7
215.76447	1.1
263.11340	4.8
275.67334	1.3
280.33884	1.5
281.06635	2.4
356.78171	1.4
363.16568	4.4
393.96732	1.3
395.15607	19.4
433.20801	1.5
451.22034	2.1
459.15063	77.1
460.15363	3.4
477.19604	7.1
495.20825	100.0
496.21451	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	495.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.0
59.01378	61.2
60.99309	9.3
61.98815	4.1
69.03432	1.7
70.52168	1.3
71.01380	44.8
73.02943	17.0
74.71090	1.4
83.01391	3.4
85.02976	6.5
85.03414	1.3
87.00857	2.3
87.04514	15.5
88.16653	1.5
88.98809	89.0
89.02445	100.0
93.03445	4.2
97.02943	3.7
99.00874	16.9
101.02448	29.8
113.02438	7.5
115.03999	1.9
119.03484	5.1
125.02441	10.3
131.03510	13.4
133.02979	7.1
135.04498	4.1
137.02417	2.3
139.11255	3.0
141.09219	2.0
143.03510	2.8
149.04559	39.8
161.02437	25.0
161.04500	3.6
163.03949	2.6
173.04535	4.6
177.01921	28.6
178.02200	1.4
191.05634	9.2
201.11328	16.0
221.06653	2.1
233.06659	4.0
251.07677	2.4
293.08804	11.7
311.09790	2.1
314.13589	1.6
321.15601	9.7
329.10065	1.5
435.18933	4.3
439.28244	2.0
457.13678	1.8
459.15051	19.0
460.15558	1.8
495.11316	5.3
495.20718	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18006	0.6
54.50720	0.6
56.96009	0.5
69.41862	1.2
69.42260	1.8
78.95904	39.7
95.16059	0.8
96.96964	2.6
98.22124	2.3
152.99591	52.0
162.89297	1.3
171.00626	14.9
227.03322	2.9
245.04301	100.0
246.04628	1.8
267.23276	62.9
268.23593	2.7
281.22086	0.8
281.24872	6.8
320.41077	0.6
348.09885	0.6
423.10870	1.9
477.26172	2.1
495.27316	57.1
496.27869	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	496.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	44.1
59.36604	28.4
60.31323	29.0
61.98825	98.2
65.22725	33.5
66.68997	31.9
75.63116	32.5
78.78666	29.2
88.55964	28.9
97.04419	30.0
119.73727	30.8
269.21277	49.1
385.12192	85.8
387.12000	52.7
458.15314	77.3
460.15225	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	497.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64491	0.5
57.03420	0.7
59.01376	29.8
61.98824	6.0
67.01871	0.5
71.01380	11.8
73.02946	2.3
75.00888	0.8
83.01378	1.2
85.02941	3.3
87.00863	0.6
89.02445	10.9
95.01411	1.1
96.96008	0.5
97.93397	0.4
99.00877	1.0
101.02451	10.1
103.01489	4.2
105.03461	0.7
108.02180	1.0
109.02942	1.8
113.02455	5.0
115.03952	0.5
116.99387	0.5
119.03514	4.5
125.02425	0.6
131.03539	0.7
132.02124	1.4
133.02950	20.4
135.04536	4.9
149.04544	1.2
152.01120	1.3
153.01865	1.6
154.02261	0.7
155.07115	1.1
161.02440	100.0
162.02785	1.7
173.08157	1.8
179.03488	3.9
191.05536	1.7
221.04507	0.6
242.74054	0.5
246.75320	0.6
273.11237	0.7
281.06683	0.6
317.10257	3.2
326.34790	0.6
335.09421	1.0
335.13461	20.9
336.13745	0.9
338.43799	0.5
399.12665	0.5
435.16788	0.5
437.20355	0.9
451.21582	1.0
452.78949	0.5
453.17075	0.5
454.17526	0.6
497.16675	35.4
497.25519	2.8
498.16989	2.0
519.63300	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56648	0.5
54.34979	0.4
59.01388	4.8
59.19160	0.5
61.98825	1.4
62.25461	0.5
62.34395	0.6
69.03457	1.1
71.01382	2.6
73.02932	1.3
81.03455	1.4
83.04999	0.5
85.02955	1.5
87.04489	2.6
88.98804	0.7
89.02446	1.7
93.03460	4.3
97.02933	1.0
101.02428	1.6
104.23209	0.5
107.05010	1.1
108.02178	41.4
109.02962	32.7
109.06609	0.5
110.03310	0.5
111.04524	0.7
113.02472	1.2
119.05020	0.7
121.02982	1.3
123.00916	0.7
123.04495	1.0
124.01655	0.9
125.02464	3.1
133.02934	4.6
134.03716	2.3
135.04526	20.9
135.08224	0.6
136.04880	0.5
137.02438	2.3
137.09727	4.3
149.99605	0.9
151.03954	1.0
152.01161	49.6
153.01952	22.8
154.02271	0.9
155.10782	17.9
159.04564	0.9
161.02449	17.1
163.04016	1.6
168.00684	2.7
173.04593	1.4
179.03519	11.3
179.10860	1.0
181.08655	0.9
185.06070	0.8
191.05684	1.2
191.10808	0.8
195.10263	0.9
199.09785	4.2
209.06171	1.1
211.07671	4.2
213.11177	0.8
226.12584	0.6
229.08691	0.9
241.10866	1.1
255.06641	1.9
255.12186	0.7
273.07645	7.6
283.11771	1.2
284.03342	1.1
285.04037	0.7
299.05750	2.7
317.06662	3.6
317.48755	0.7
335.07928	1.2
363.16547	0.7
453.17670	3.8
463.64670	0.7
479.16095	0.6
497.16644	100.0
498.17105	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	497.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.5
61.98827	1.7
63.02409	0.9
65.00323	19.3
68.94044	0.8
69.39906	3.5
70.85928	0.9
83.01383	8.5
107.01390	25.7
107.17082	0.9
125.02440	22.4
130.37009	1.1
132.02155	2.1
133.43237	1.0
134.03719	8.1
135.04529	1.2
136.01660	1.0
136.05266	1.2
146.08235	1.7
148.05331	11.0
150.06868	2.4
151.00369	100.0
152.00673	1.6
160.01665	5.0
162.03253	2.3
164.01164	3.0
167.03496	3.4
174.03252	2.5
174.06847	4.0
175.07689	0.9
176.04785	3.4
177.01898	12.1
180.04147	1.0
185.02390	1.0
196.00357	0.9
199.04092	1.6
200.04825	2.4
208.02907	0.9
211.13428	1.5
237.14931	2.4
257.12930	1.7
257.15485	28.4
258.15689	1.7
273.18555	3.8
277.12213	2.0
281.15466	1.2
285.03864	1.3
286.04871	6.3
299.05383	1.6
299.16537	28.0
300.16901	2.7
309.14966	2.3
317.17526	24.2
317.21243	1.2
318.17957	1.3
319.15674	1.1
325.14432	3.9
327.15991	13.3
343.15503	9.4
345.17056	52.4
346.17612	1.8
353.13974	3.3
370.73312	1.0
371.14975	68.0
372.15234	3.5
479.17285	1.9
493.56924	1.0
497.18149	69.2
498.18359	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	497.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89033	1.7
55.62173	1.3
57.03457	10.3
61.98832	2.3
62.16537	1.7
63.02403	2.3
65.00318	18.6
69.14172	3.3
69.14581	6.7
69.87466	1.7
81.03453	2.9
83.01381	7.8
97.11851	1.6
105.00625	1.6
107.01395	22.4
108.02190	5.6
123.04511	10.6
125.02444	78.1
129.99303	1.7
133.02930	3.8
134.03723	8.8
135.04495	5.8
136.01654	7.2
146.78636	1.5
151.00371	76.1
152.00781	2.0
158.03650	1.9
159.04433	2.7
160.05322	3.0
161.02444	3.6
163.05852	1.5
164.01151	21.2
167.03522	17.2
169.01489	1.9
172.05270	11.1
173.05977	2.2
174.03214	5.6
175.04057	2.6
177.01900	9.1
187.04031	6.8
188.04732	1.9
191.05568	4.9
196.00192	4.9
199.03989	13.0
200.04810	5.6
201.01938	4.1
201.05513	2.7
202.06299	4.2
211.13397	2.1
215.03505	3.1
226.96295	1.8
227.03464	11.6
228.04337	7.5
241.05087	3.5
242.05783	5.7
257.04510	3.0
257.15506	4.3
258.05322	3.6
281.15216	1.7
283.13400	49.0
284.03156	1.9
285.04080	21.7
286.04816	37.0
289.18063	11.0
299.05664	3.3
299.16556	4.6
301.14407	13.2
309.14966	8.5
311.12924	6.2
317.17322	2.6
327.15985	12.2
329.13849	4.9
343.15842	2.2
345.17026	17.3
353.13925	4.4
371.14957	100.0
372.15192	5.3
479.17026	2.5
497.18057	48.7
497.24988	3.6
497.74139	2.2
498.18500	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	497.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62194	0.5
54.14565	0.5
57.03446	8.5
60.52700	0.5
63.02398	0.6
65.00319	13.5
70.28388	0.6
70.50085	1.0
72.44262	0.5
81.03455	2.4
83.01375	8.0
83.01824	0.7
95.01373	0.9
96.90520	0.6
107.01391	20.6
109.02921	0.7
123.04513	7.1
125.02442	71.1
126.02775	1.2
134.03720	0.7
146.03764	0.9
151.00365	62.6
152.00714	0.9
159.04532	2.1
160.05292	3.9
164.01205	0.9
167.03503	12.5
171.04526	0.6
172.05296	12.7
172.06709	1.0
173.06049	2.3
174.06746	0.8
177.01941	3.8
183.56949	0.6
185.06065	1.1
186.06854	1.6
187.03989	3.8
197.06020	1.5
198.06880	0.9
199.03964	4.2
200.04724	3.1
201.05594	2.8
202.06290	3.5
211.03944	0.9
211.07584	0.7
213.05516	1.2
214.06219	0.7
227.03476	16.1
228.04240	9.6
239.14412	0.8
242.05994	0.7
255.13881	1.0
257.15485	1.4
265.12061	0.7
283.13376	59.3
284.13617	2.9
286.04861	1.7
301.14432	18.8
302.14777	1.0
307.13409	0.7
309.04016	0.6
309.14957	9.9
310.15350	0.6
311.12906	5.5
320.78601	0.5
325.14374	2.2
327.12381	1.2
327.15955	8.0
328.49579	0.5
329.13956	5.1
343.15585	0.7
345.17065	8.0
353.13919	8.2
371.14957	100.0
372.15247	5.1
411.18042	0.6
435.18143	1.1
453.19525	0.8
479.17273	1.5
497.18167	24.3
498.18646	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	497.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.6
57.03447	1.1
58.49647	0.8
59.01377	20.9
68.99862	0.8
69.03448	1.2
71.01382	22.0
71.44676	1.2
73.02943	42.3
75.00854	1.0
75.18965	0.8
83.01380	3.0
85.02959	5.5
87.00853	1.9
89.02443	13.5
91.30486	0.9
93.03491	1.1
97.02934	1.1
99.00878	4.7
101.02438	19.1
111.00870	2.4
113.02441	7.0
115.04033	1.0
117.06293	0.9
119.03502	1.2
120.04604	1.0
121.02959	1.1
124.07679	2.4
125.02429	2.6
131.03487	3.8
135.04585	1.2
143.03543	1.1
148.04048	2.5
149.04515	4.0
150.05618	1.2
153.01952	1.3
156.71606	0.8
159.02974	1.5
161.02405	3.2
161.04524	4.7
179.03490	1.6
191.05649	2.0
204.66463	1.0
205.01250	0.8
225.06723	1.6
227.11823	1.2
233.06703	1.0
240.09094	2.0
255.11179	2.0
273.12476	3.2
291.14551	7.8
305.16061	2.8
317.11542	4.4
335.12238	1.9
335.16809	0.9
414.45023	0.8
423.18808	5.6
437.20218	6.8
479.16806	3.2
497.22440	100.0
498.22946	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	497.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64183	1.0
58.30384	1.0
59.01379	51.8
61.98820	2.9
69.86295	1.2
69.86632	2.7
70.67764	1.0
71.01379	28.5
71.18243	1.1
72.99276	1.6
73.02940	10.3
75.00855	2.8
83.01377	2.3
85.02951	6.9
87.00900	2.1
89.02441	43.2
95.01389	1.6
95.05005	1.1
96.96021	1.2
99.00881	8.5
99.04491	1.9
101.02444	22.9
102.02789	1.4
105.03456	1.8
105.13514	1.1
107.04948	1.2
113.02434	9.3
116.92876	1.6
118.01901	1.0
119.03501	8.9
124.54002	1.1
125.02417	1.4
131.03522	7.1
133.02969	20.2
134.03731	4.5
135.04526	78.6
136.04820	5.3
137.05173	1.4
143.03510	2.5
149.04552	20.8
150.03290	1.1
161.02440	47.7
161.04492	2.3
162.02777	2.7
163.03000	1.4
165.05577	1.6
169.46199	1.1
173.79486	1.2
177.01936	3.0
179.03499	60.0
179.05391	2.4
180.03909	3.2
181.03955	2.5
191.05586	7.7
212.16069	1.1
247.06953	1.1
251.07822	1.5
277.86545	1.2
305.15964	4.1
309.95969	1.1
437.20236	55.0
438.20508	2.9
459.15057	100.0
460.15271	6.1
461.15598	17.3
497.16464	1.3
497.22214	12.0
521.40967	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.1
57.03439	3.8
57.68609	2.0
59.01377	21.4
61.98817	7.9
65.00312	2.4
69.03422	2.2
69.04465	1.9
71.01379	25.1
71.46037	1.9
73.02946	17.5
78.95880	4.1
83.01393	9.1
85.02953	13.4
87.00854	2.1
89.02444	7.6
94.24149	2.0
97.02910	3.5
97.16021	1.5
99.00876	4.6
101.02439	30.9
107.01417	4.4
111.00864	3.6
113.02451	10.0
123.04513	3.4
125.02439	18.1
133.02965	2.3
134.03809	3.3
135.04530	3.8
151.00380	10.1
152.99585	7.6
161.02420	5.6
161.04547	8.2
164.01140	4.0
167.03419	9.2
173.04655	2.2
186.94148	1.8
191.05649	5.6
199.04013	3.8
200.13202	1.9
201.01956	2.1
229.05096	1.9
283.13348	2.1
284.03021	4.4
285.03946	6.3
286.04819	7.3
296.87146	1.7
299.05457	3.5
305.19641	24.3
353.37622	1.8
371.14914	5.1
436.52307	2.0
437.23874	100.0
438.24399	5.2
482.85049	2.1
497.17902	10.7
497.25000	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	497.2803
Annotation	prochaetoglobosin IV
Peak:m/z	Relative Intensity
58.27048	0.8
66.22107	0.8
69.32091	3.7
74.02969	0.9
98.21897	2.1
98.22574	2.2
130.45242	0.9
137.07024	0.8
151.12418	1.0
153.50792	0.9
165.96751	0.8
245.95972	0.9
415.34113	0.9
439.32141	73.2
440.32605	5.2
443.14185	0.8
497.28003	100.0
498.28458	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	497.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07218	23.7
57.02248	28.3
61.07139	21.8
61.98823	55.9
69.71971	65.0
69.72384	49.3
70.17821	23.1
74.44396	26.4
78.95905	88.5
98.21886	32.4
101.09535	25.6
152.99597	100.0
184.13763	23.6
186.86636	29.2
202.15369	28.3
204.40071	23.0
434.23663	30.3
497.33090	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98809	14.3
69.25983	100.0
73.58839	17.2
78.95892	51.4
146.34586	18.9
152.99579	82.7
186.86462	22.1
239.20950	18.9
260.90436	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3637
Annotation	Argenteanone D
Peak:m/z	Relative Intensity
60.47148	0.9
64.81602	0.8
71.97639	0.8
77.85047	0.9
78.13285	0.8
88.50757	0.8
93.94968	0.9
98.21999	1.2
98.22580	1.1
107.92493	0.9
116.07996	0.9
155.65552	1.0
195.31026	0.9
297.07614	0.9
497.36362	100.0
498.36618	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	497.3636
Annotation	3beta-Acetoxy-1beta,11alpha-epidioxy-12-ursene
Peak:m/z	Relative Intensity
55.33503	0.4
59.01381	2.5
71.13609	0.5
72.07951	0.4
111.97810	0.3
152.40704	0.4
154.14471	0.4
182.90439	0.4
437.34448	2.3
438.34384	0.4
497.36365	100.0
498.36700	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	498.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19790	2.6
57.35316	2.8
61.53256	2.6
66.50159	2.6
67.69343	2.5
69.21940	16.5
72.33104	2.8
78.95905	11.1
92.81174	2.5
152.99597	25.4
171.00677	3.6
219.84544	6.8
269.24847	45.3
270.25189	100.0
349.48148	2.9
455.35428	24.9
498.28619	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42607	1.3
58.00581	1.5
59.01378	96.5
67.01884	1.6
68.59156	1.3
71.01380	22.0
85.02946	4.0
87.00867	3.0
89.02446	31.7
89.02994	1.8
90.71376	1.4
90.79834	1.5
91.69054	1.5
91.97352	1.5
93.03454	16.0
101.02446	12.4
111.04523	2.3
113.02482	10.7
118.96640	8.3
119.03471	9.3
119.05025	4.9
131.03462	1.7
132.98187	4.0
143.03549	2.2
155.03468	1.5
156.97932	10.9
156.99286	13.0
160.97659	4.9
161.02403	1.8
161.04526	3.5
163.04004	4.8
173.03204	1.5
173.04533	7.3
174.99150	2.1
179.05623	10.6
191.05602	15.1
196.97612	1.6
210.99245	4.0
217.00276	13.6
229.00323	4.4
247.01274	1.6
259.01324	7.5
277.02469	1.5
319.03799	1.9
337.09500	1.7
341.10858	100.0
342.11169	3.7
439.07642	10.2
499.14682	19.5
510.13721	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	499.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80227	0.4
59.01381	5.0
61.98817	1.7
68.99816	0.8
71.01376	4.9
73.02949	1.5
78.95906	6.6
79.95731	2.9
83.01371	1.0
85.02943	2.4
87.00861	4.3
87.71987	0.5
89.02451	1.6
93.03453	1.3
96.96011	100.0
96.96922	12.1
97.02966	0.5
99.00860	0.6
101.02446	3.0
109.02937	0.9
113.02437	1.3
115.00365	9.1
118.96602	0.8
121.02921	0.7
132.98198	0.7
133.02946	4.2
135.04530	5.5
137.02457	0.6
139.00366	0.9
149.04619	0.5
149.05992	0.6
156.98181	1.0
157.01363	0.5
160.97693	0.6
161.02458	10.9
161.04556	0.9
162.02855	0.6
163.04080	1.1
170.99791	1.6
173.04579	0.8
175.02478	15.9
177.05521	0.5
179.03487	4.0
189.00919	0.5
191.05624	1.8
195.06651	0.9
198.99257	1.6
219.66940	0.5
221.04514	1.4
249.57732	0.6
251.05626	0.7
259.01239	0.9
267.04916	0.6
269.10547	0.5
281.06760	1.2
323.07654	3.5
337.07782	2.4
341.08762	0.7
367.07074	2.2
401.14368	1.1
439.21310	1.8
499.11923	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	499.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.3
59.01377	3.2
61.98831	1.6
69.32412	1.0
71.01383	3.6
72.01761	0.3
72.99313	0.4
73.02946	0.6
78.95906	5.4
79.95747	2.8
83.01405	0.5
85.02972	1.3
87.00861	1.9
89.02448	1.1
89.54147	0.2
93.03451	0.7
95.01379	0.3
96.96012	100.0
96.96920	10.0
97.02949	0.4
97.58008	0.2
99.00869	0.8
101.02426	2.2
113.02454	0.8
113.92525	0.3
114.93399	0.3
115.00379	2.6
118.96639	0.4
119.03486	0.3
119.05039	0.3
121.02996	0.3
123.04559	0.3
127.00365	0.3
132.98271	0.6
133.02928	1.4
135.04518	2.0
137.02466	0.4
156.98196	0.6
160.97681	0.5
161.02443	4.0
161.04539	0.5
163.04010	1.1
170.40822	0.3
170.99770	1.0
175.02489	6.6
175.03934	0.5
179.03481	1.6
182.99759	0.4
183.72363	0.3
186.99284	0.6
191.03488	0.3
191.05675	0.8
195.06667	0.4
198.99246	0.8
210.99144	0.4
217.00380	0.3
219.34543	0.3
223.06119	0.4
251.05655	0.5
251.94119	0.3
259.01202	0.6
267.05173	0.5
281.06577	0.5
307.17596	0.4
323.07809	1.1
337.07938	0.6
367.06976	1.4
401.14667	0.4
426.33151	0.3
438.20703	0.6
439.21924	2.2
481.10464	0.4
499.11969	3.9
499.23273	0.5
519.49597	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80227	0.4
59.01381	5.0
61.98817	1.7
68.99816	0.8
71.01376	4.9
73.02949	1.5
78.95906	6.6
79.95731	2.9
83.01371	1.0
85.02943	2.4
87.00861	4.3
87.71987	0.5
89.02451	1.6
93.03453	1.3
96.96011	100.0
96.96922	12.1
97.02966	0.5
99.00860	0.6
101.02446	3.0
109.02937	0.9
113.02437	1.3
115.00365	9.1
118.96602	0.8
121.02921	0.7
132.98198	0.7
133.02946	4.2
135.04530	5.5
137.02457	0.6
139.00366	0.9
149.04619	0.5
149.05992	0.6
156.98181	1.0
157.01363	0.5
160.97693	0.6
161.02458	10.9
161.04556	0.9
162.02855	0.6
163.04080	1.1
170.99791	1.6
173.04579	0.8
175.02478	15.9
177.05521	0.5
179.03487	4.0
189.00919	0.5
191.05624	1.8
195.06651	0.9
198.99257	1.6
219.66940	0.5
221.04514	1.4
249.57732	0.6
251.05626	0.7
259.01239	0.9
267.04916	0.6
269.10547	0.5
281.06760	1.2
323.07654	3.5
337.07782	2.4
341.08762	0.7
367.07074	2.2
401.14368	1.1
439.21310	1.8
499.11923	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	499.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31069	0.7
55.01892	0.8
57.03431	1.3
58.68137	0.6
59.01379	5.2
64.70206	0.7
65.49266	0.7
67.01882	4.1
69.03451	2.4
69.16795	3.2
71.01385	4.7
73.02947	1.4
75.70617	0.6
80.91691	1.0
81.61153	0.8
85.02949	5.8
86.53861	0.6
87.00872	2.1
93.03455	23.5
93.04013	1.5
99.04543	1.1
101.02445	2.3
107.05023	1.1
109.02946	1.6
111.00936	1.0
111.04517	5.3
113.02431	1.4
118.13796	0.8
119.05003	1.7
124.01614	1.6
125.02416	3.3
127.04015	1.5
133.02936	2.4
134.03709	2.9
135.04526	59.1
136.04854	1.1
137.02431	6.4
145.02982	0.9
148.33089	0.7
149.99539	1.5
155.03479	6.0
161.02449	7.7
163.04007	2.1
168.00642	3.4
173.04544	90.5
174.04889	1.4
179.03493	63.4
180.03793	1.2
191.05606	60.0
192.05934	1.2
203.03500	2.6
215.47609	0.7
296.06204	0.9
296.56174	1.0
299.05624	1.1
304.56140	0.8
325.06766	0.8
335.07715	1.5
337.09244	12.4
347.17078	10.1
353.08768	100.0
354.09097	3.8
499.11981	4.8
499.18341	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	499.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09956	0.7
53.05723	0.7
56.40609	0.7
59.01382	1.8
61.77871	0.8
63.98789	0.7
67.01874	2.9
69.03434	1.0
69.21510	1.3
69.21790	4.3
71.01377	3.7
73.63642	0.8
77.49803	0.8
81.03468	0.6
85.02934	1.4
93.03449	22.2
98.22599	1.7
107.01386	0.9
111.04513	4.9
118.54733	0.7
119.05017	8.9
125.02386	1.5
134.03740	2.0
135.04538	13.8
136.01704	1.8
137.02487	4.5
140.73836	0.9
143.08134	0.7
151.00389	2.3
155.03534	4.6
161.02457	3.0
163.04016	12.6
164.01164	6.0
173.04553	100.0
174.03241	1.5
174.04892	1.5
179.03500	14.4
191.05620	14.7
199.04028	1.3
201.01907	2.1
210.41064	0.7
215.03535	1.2
221.11432	0.7
242.05838	3.1
257.08200	1.0
258.05344	0.8
285.04330	0.9
286.04825	3.8
299.05774	1.1
301.07166	75.2
302.07532	3.3
304.55826	1.4
337.09286	43.9
338.09573	1.8
353.08762	21.1
463.12393	0.8
499.12808	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1456
Annotation	kn-93
Peak:m/z	Relative Intensity
50.46502	0.5
57.03443	0.8
59.01379	5.1
60.99295	2.3
67.01889	8.4
69.03448	2.2
69.39658	2.7
70.64837	0.6
71.01386	5.5
72.06281	0.5
73.02931	0.8
81.03451	1.5
83.05014	1.2
85.02943	2.8
85.91624	0.6
86.25356	0.6
87.00869	10.7
89.02446	2.3
93.03457	58.8
94.03725	0.7
96.02185	0.6
96.96009	1.1
98.21828	1.1
99.00871	1.5
101.02445	2.3
109.02933	0.7
111.04529	8.2
113.02428	1.3
116.88190	0.6
119.05022	23.6
127.04002	1.0
129.01907	1.4
135.04518	2.9
137.02365	0.8
145.02962	1.9
149.06039	0.6
155.03499	2.7
161.02457	1.8
163.04002	17.6
173.04558	17.8
175.02382	0.8
177.01920	0.9
191.05606	70.1
192.05994	1.1
208.75348	0.6
315.29556	0.7
319.01358	2.1
331.10855	0.7
337.05539	1.1
337.09308	11.8
341.10858	1.2
379.10480	1.4
499.14578	100.0
500.15057	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	499.158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.4
59.01380	22.8
61.98825	5.7
69.03410	2.1
71.01379	25.9
73.02966	8.7
82.95406	3.0
83.01414	2.2
83.05753	1.8
85.02949	8.1
87.00892	2.0
88.98806	17.5
89.02442	23.0
89.70636	1.4
93.03473	3.2
96.96022	3.6
97.02935	2.7
99.00904	5.2
101.02440	21.3
113.02454	9.8
113.99601	2.6
118.96623	2.3
119.04909	1.9
121.02859	2.1
123.04526	49.0
124.04911	2.0
125.02431	2.9
131.03477	2.6
133.02971	2.2
135.04550	13.6
137.02480	4.6
138.13680	1.8
145.03000	1.9
148.52362	1.5
149.04561	3.7
149.06073	1.8
152.26559	1.6
153.05573	100.0
154.02748	1.6
154.05937	4.8
155.05988	2.6
161.04510	9.5
163.03976	2.9
173.04494	4.3
179.03481	11.9
191.05663	9.8
217.00246	2.3
233.06755	2.3
293.30847	1.9
313.91772	1.9
318.08578	2.0
325.09174	4.6
331.13947	7.3
337.07877	10.7
425.71725	1.7
439.18167	3.9
461.16583	21.0
463.18167	92.8
464.18344	2.8
499.15820	91.4
500.16470	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	499.195
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
59.01382	21.5
61.98817	7.5
65.69842	4.5
70.12593	4.5
71.01395	19.5
71.45022	5.5
73.02939	11.0
73.90199	3.6
83.59643	4.6
85.02934	13.8
89.02435	9.7
93.03456	9.8
99.00827	6.8
101.02462	19.4
109.02919	5.0
113.02436	8.3
125.02448	5.4
133.02975	4.5
135.04495	9.7
161.02448	18.6
161.04564	8.0
166.16830	4.0
173.04497	10.3
191.05637	20.8
209.11737	4.9
256.03680	8.5
301.03467	16.0
376.77576	4.1
463.21881	78.8
464.22076	5.1
499.12320	6.0
499.19611	100.0
499.26794	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23122	0.5
59.01378	100.0
59.57624	0.5
60.41011	0.5
66.91736	0.6
69.84669	1.7
91.04022	0.7
98.21897	0.8
100.09190	0.6
157.15671	0.6
199.13336	0.8
223.32156	0.6
347.26294	0.9
365.26938	9.7
368.66757	0.6
499.30670	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01076	4.1
59.01377	81.1
61.98814	3.5
62.27924	1.8
69.03455	8.3
69.94411	4.3
71.01382	78.9
73.02947	12.8
79.76859	1.9
81.03452	4.7
83.01371	5.8
85.02949	13.4
87.00879	2.5
89.02447	100.0
93.03454	2.6
96.26588	1.9
97.02950	9.9
98.22662	2.1
99.00890	14.2
101.02443	21.7
107.01365	2.6
111.00869	2.6
113.02451	10.9
115.04016	7.1
119.03453	4.0
119.04999	3.8
121.02891	2.0
125.01528	2.6
125.02447	41.9
127.03970	2.6
131.03503	16.1
133.02965	4.2
135.04498	4.5
143.03510	4.3
148.05299	42.5
149.04541	24.2
151.00414	2.6
161.02391	8.6
163.03975	7.0
163.07631	14.5
164.04305	4.6
173.04576	5.2
177.01941	5.4
191.05611	26.4
192.05984	3.7
233.06688	30.6
233.38246	2.0
234.07051	2.0
241.73962	1.9
249.28148	1.8
250.51085	1.8
253.34296	1.9
255.02962	2.0
256.03439	2.5
284.03241	19.3
285.03580	39.4
286.03848	4.2
287.03903	2.7
293.08795	91.6
299.05634	25.3
300.05936	62.9
301.06976	6.4
302.07199	8.6
323.07565	3.3
338.09390	3.5
353.08752	2.7
369.30106	2.3
415.16452	1.9
451.49799	2.3
457.16830	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	500.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79422	0.2
59.01375	0.4
61.98830	100.0
70.96310	0.4
71.01388	0.3
85.02931	0.3
110.50818	0.2
111.00906	0.8
116.92854	0.3
135.04549	0.3
161.02502	0.5
177.17160	0.2
181.96609	0.3
191.05708	0.5
285.03915	0.3
302.23135	0.2
385.64178	0.2
429.59988	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	88.8
69.99014	0.8
75.56329	0.4
79.53451	0.4
90.97131	0.5
94.06153	0.5
98.21937	0.8
131.75456	0.4
132.98241	1.1
157.03592	3.5
159.01500	1.4
174.99239	25.9
201.02551	35.9
202.02673	1.4
217.00296	100.0
218.00650	1.1
231.57425	0.5
249.84192	0.4
276.98236	1.3
343.03735	2.8
359.01462	73.6
360.01599	3.5
434.34222	0.5
495.31427	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74299	0.5
59.01379	87.6
61.98812	0.6
71.01393	4.3
71.12359	0.5
73.02955	1.3
76.10484	0.5
78.95940	0.5
85.02968	2.0
87.00880	1.8
89.02437	4.0
90.64986	0.5
99.00906	1.1
101.00939	0.8
101.02420	4.1
113.02447	1.7
115.04066	0.7
117.00440	1.3
118.96602	0.9
119.03487	0.7
125.02428	0.8
129.32912	0.5
130.08751	1.1
131.03488	1.3
131.39816	0.6
132.98222	1.7
133.02950	0.9
135.04515	2.8
137.02496	1.0
138.03279	0.6
141.00456	1.5
149.04678	0.6
153.05605	0.6
155.02017	0.7
157.03540	3.0
159.01541	1.2
159.03049	0.7
161.04565	1.0
173.03062	1.0
173.04543	0.6
174.99252	25.1
175.02521	3.0
177.01941	0.8
179.05589	1.2
186.99446	0.7
189.00868	0.6
191.05614	2.1
199.01009	1.9
201.00948	1.4
201.02556	35.5
202.02718	0.9
207.08652	0.8
208.63889	0.6
208.71375	0.7
214.98677	1.3
217.00301	100.0
217.03658	3.7
218.00533	1.4
222.99518	1.1
229.03513	0.6
243.03563	1.0
319.06638	1.7
339.12656	0.9
343.03690	2.7
356.99832	1.4
359.01477	69.7
360.01746	3.3
369.13962	1.1
381.06592	1.0
399.07825	1.1
441.08331	3.7
441.16464	3.1
459.08264	1.3
498.36026	0.6
501.11200	0.6
501.18378	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55778	0.4
59.01375	1.5
69.03450	1.8
71.01377	1.0
72.65472	0.4
78.95905	8.6
79.95750	2.9
88.05457	0.4
89.02453	0.7
95.05020	0.5
96.96015	100.0
96.96930	15.5
98.93920	0.5
101.02423	0.6
111.00914	0.5
114.93417	1.6
118.96626	0.8
119.03463	0.5
121.02941	0.9
122.63787	0.4
127.04015	0.9
132.98241	0.6
133.02995	0.4
135.04529	0.7
156.98228	0.7
161.02502	0.7
179.03494	0.5
185.01276	0.4
191.05635	1.2
199.02789	0.5
217.00278	0.7
277.02353	0.6
295.05032	1.5
327.03668	0.5
345.01385	0.4
386.50397	0.4
441.07544	0.5
441.13876	0.5
501.09827	0.7
501.16159	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92249	0.2
59.01387	0.8
65.48871	0.2
71.01376	0.7
73.02941	0.5
75.80443	0.2
81.03466	0.4
85.02970	0.2
85.87162	0.2
88.64047	0.2
89.02445	0.3
89.03967	1.9
95.05039	0.2
98.22639	0.5
101.02451	0.4
104.02656	0.3
105.03468	2.8
107.01413	0.2
113.02463	0.2
133.02968	9.9
134.03728	0.2
135.04529	1.8
148.01677	0.4
149.02446	0.9
149.04532	0.2
161.02455	4.4
176.01132	1.0
177.01935	100.0
177.33028	0.2
178.02249	2.0
179.03532	0.8
191.05612	0.3
221.04572	0.3
284.88562	0.2
323.07684	2.4
335.63699	0.2
339.07211	20.1
340.07520	0.9
425.40060	0.2
465.23373	1.5
501.10443	9.7
501.21027	1.6
502.10788	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
57.03444	1.2
59.01378	20.4
61.90906	0.5
69.03452	0.5
69.19856	2.7
69.20262	1.0
71.01377	29.0
71.86947	0.5
72.99304	0.7
73.02943	11.4
75.00861	0.8
79.23471	0.5
83.01369	3.6
85.02946	14.0
86.00066	0.5
87.00859	3.9
87.04504	1.8
89.02441	8.1
93.03448	1.3
95.01378	1.5
97.02937	1.3
99.00883	3.7
101.02436	17.2
103.04004	1.4
113.02440	14.8
115.04016	4.7
119.03505	1.5
123.04486	0.7
125.02448	1.7
131.03508	3.6
131.04962	0.7
132.05847	1.9
133.02989	2.8
133.06587	100.0
134.06921	1.6
135.04544	2.4
137.09689	0.7
143.03506	5.2
145.44679	0.5
149.04527	1.0
151.44632	0.6
158.46446	0.8
159.03003	1.8
161.02521	5.3
161.04549	26.3
162.03183	3.5
163.04066	0.8
163.06181	1.3
164.04364	0.7
165.04512	0.9
166.29639	0.5
173.04521	3.1
174.04842	1.6
175.04955	0.9
177.01926	3.8
177.05566	2.5
179.03531	1.8
180.03856	0.6
191.05626	2.6
205.07146	3.8
233.06721	0.7
244.46608	0.6
245.19437	0.6
283.58414	0.5
285.03491	0.6
295.11823	8.5
323.07648	6.2
338.09396	0.7
339.09790	1.1
369.19113	1.2
441.17618	60.5
442.17920	3.2
501.23685	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	501.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72062	0.3
57.03414	0.3
58.00592	0.4
59.01382	18.4
69.03478	0.4
69.55389	1.3
71.01382	9.9
71.68111	0.3
72.99308	0.4
73.02945	4.1
77.70753	0.3
78.31609	0.3
81.03455	0.7
85.02957	2.1
89.02446	22.8
89.03947	1.6
93.03460	0.4
94.98089	0.4
97.02969	0.5
98.21906	0.4
99.00883	7.0
101.02450	10.1
104.32619	0.3
105.03462	2.6
107.01420	0.3
109.02911	0.3
113.02444	1.8
119.03507	0.5
121.02849	0.4
125.02421	0.8
131.03508	3.4
133.02963	9.5
135.04549	2.1
143.03525	0.6
149.02545	0.7
149.04559	12.5
161.02475	4.9
161.04539	1.1
176.01036	0.7
177.01930	100.0
178.02267	2.8
179.03481	1.0
191.05626	4.7
209.11845	0.5
221.06616	0.8
251.07780	0.4
293.08676	0.5
323.07742	2.1
333.19052	0.6
339.07202	22.5
340.07516	1.1
465.17230	0.6
465.23395	6.0
465.86163	0.4
501.10416	9.3
501.21045	7.2
502.10590	0.6
502.21127	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26250	0.4
55.01875	1.0
56.35868	0.4
57.03439	0.7
58.00588	1.0
59.01378	72.0
60.01707	0.5
61.30040	0.4
69.03452	1.3
71.01382	45.8
71.43676	0.5
72.01736	0.4
72.99303	1.2
73.02946	18.5
83.01385	1.6
85.02950	6.4
87.00864	0.8
89.02442	100.0
90.02788	0.5
92.18605	0.4
94.34083	0.4
95.01416	0.5
97.02968	2.1
99.00881	26.4
99.04514	0.9
100.01225	0.5
101.02442	40.3
102.02802	0.6
112.41102	0.4
113.02452	8.9
115.03992	1.3
119.03497	4.4
125.02451	4.3
131.03508	20.6
132.03793	0.5
143.03497	2.9
147.04488	1.7
149.04552	78.2
150.04857	1.1
152.01161	0.4
161.02415	0.6
161.04570	3.3
173.04646	0.6
177.01929	0.5
181.57402	0.5
191.05611	19.1
198.41606	0.4
207.13875	0.7
221.06671	4.6
251.07695	6.6
262.88058	0.4
275.07611	0.9
281.08798	0.7
293.08688	2.5
311.09781	2.0
501.18307	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70340	0.2
57.03447	2.0
59.01383	2.2
61.98822	1.1
67.01888	3.1
70.69088	0.3
71.01047	0.2
71.01372	1.3
72.99313	1.2
73.02937	0.7
83.01405	0.5
83.21185	0.2
85.02963	2.5
87.00339	0.3
87.00874	6.2
89.02460	0.6
93.03446	0.5
99.00852	0.4
101.02435	1.2
101.92014	0.2
111.00880	100.0
112.01195	1.3
113.02448	0.5
129.01941	0.8
133.02965	0.5
135.04509	0.5
149.04562	0.4
154.99861	3.2
161.02454	0.4
161.04501	0.4
173.00906	17.5
175.02513	0.5
177.01950	0.3
179.03387	0.3
191.05652	1.1
223.13303	0.4
245.75229	0.3
327.21756	1.0
458.75195	0.3
501.23444	4.0
501.30447	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3222
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
50.55634	1.4
52.67860	1.6
59.01384	7.2
61.98825	2.7
63.20550	1.6
69.99712	4.2
78.95909	1.5
83.05024	4.3
95.05035	1.5
106.04202	2.8
107.06018	1.7
109.06540	1.9
123.08163	1.9
133.10246	2.2
134.07358	3.4
135.08163	7.7
137.09750	9.4
139.11282	4.4
149.09666	2.5
151.11235	3.9
152.99585	2.7
153.65977	1.3
163.11247	5.5
167.10791	2.0
175.11290	2.3
177.09160	5.1
177.12785	2.5
185.11835	16.4
189.12825	1.8
210.33321	1.6
214.13629	1.9
217.15897	9.6
243.17509	2.9
261.18768	2.4
271.20663	29.5
279.19592	4.1
297.18430	5.9
305.21136	1.7
312.98132	1.8
315.19638	100.0
316.19977	3.6
317.21185	9.5
370.17224	1.9
385.27493	1.8
421.31085	6.4
439.32141	9.7
447.28519	3.9
462.21848	1.7
465.30118	14.7
483.31140	61.2
484.31607	2.3
501.32147	54.2
502.32364	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	502.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02831	0.7
52.93868	0.7
61.98829	100.0
69.66774	0.7
89.26681	0.7
135.46635	0.7
161.64767	0.7
170.36798	0.6
175.28804	0.7
179.72337	0.7
277.21762	2.3
369.91644	0.7
505.90396	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68835	0.8
59.01378	2.1
61.98829	100.0
67.68656	0.7
69.58360	2.3
71.55737	0.7
114.36450	0.8
124.74973	0.7
217.91640	0.7
237.37173	0.8
245.56641	0.8
277.21817	1.7
302.53214	0.9
329.43472	0.8
359.00449	0.7
406.61877	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1194
Annotation	1,2-Di-O-(E)-caffeoyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
59.01379	7.9
67.01888	4.7
68.99809	0.6
69.03463	0.9
70.30274	1.1
71.01379	6.7
71.05025	1.1
73.02927	2.8
75.00872	8.6
78.83448	0.5
82.95696	0.5
83.01379	1.2
85.02943	2.6
89.02453	4.6
91.52807	0.5
95.01367	1.1
95.05026	1.0
97.02889	0.6
99.00879	1.3
99.04520	0.8
101.02444	4.7
107.05025	0.9
113.02473	2.1
119.03568	0.9
121.02935	0.7
121.44016	0.5
123.04549	0.9
125.02383	0.7
127.04012	21.4
131.03522	1.2
132.02170	1.0
133.02951	20.4
133.57748	0.5
134.03720	2.2
135.04523	100.0
136.04854	2.4
147.04536	0.6
149.02486	1.0
149.04532	4.0
151.07114	0.6
155.03490	1.3
159.04462	0.7
159.06586	0.6
161.02438	77.7
162.02776	1.5
177.05588	1.8
178.02721	0.7
179.03488	19.0
185.50787	0.6
188.25706	0.7
191.05585	1.6
203.03534	1.7
220.03769	0.6
221.04480	1.7
239.09032	0.6
257.82443	0.6
271.08392	3.6
271.66483	0.6
276.09848	0.5
291.86172	0.5
293.08762	0.7
297.09747	6.7
307.40225	0.6
309.09973	1.0
323.07690	26.6
324.07803	0.8
341.08710	1.7
371.20593	2.7
459.12939	43.8
460.13287	1.7
481.12747	0.6
503.17447	10.5
503.25000	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	503.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27983	0.6
51.10200	0.5
51.91887	0.6
59.01376	7.4
67.01892	5.9
67.34666	0.5
69.03452	0.7
71.01373	5.5
71.05018	0.8
73.02938	2.4
75.00875	8.4
80.88267	0.6
83.01409	1.0
85.02967	1.9
89.02435	4.6
95.05002	0.8
97.02952	0.7
97.79726	0.6
98.21838	1.8
101.02435	5.5
113.02454	1.7
119.03508	0.7
121.02946	0.8
127.04012	24.3
131.03500	1.2
132.02095	0.9
133.02963	19.4
134.03726	2.1
135.04524	100.0
136.04813	2.3
145.19685	0.6
149.02446	0.9
149.04546	3.4
149.05930	1.0
155.03502	1.8
161.02446	84.7
162.02835	1.6
175.03775	0.6
177.05518	1.7
179.03503	18.2
180.03806	1.1
191.05573	1.4
203.03494	2.4
221.04512	1.9
271.08197	2.8
297.09775	6.1
309.09671	1.1
323.07709	26.8
341.08572	1.2
367.69156	0.6
371.20663	2.7
459.12946	45.6
460.13181	1.7
491.19138	0.6
503.17480	11.7
503.24921	5.1
507.99908	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.121
Annotation	1,2-Di-O-(E)-caffeoyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
50.49472	0.7
51.77924	0.7
52.57193	0.7
54.77506	0.7
59.01382	25.0
61.98811	1.9
69.03448	0.9
69.11169	0.6
69.18394	4.4
70.93187	0.8
71.01382	16.5
72.06860	0.7
73.01764	0.7
73.02956	5.2
80.50045	0.7
83.01394	1.1
85.02954	2.6
87.00888	1.3
89.02441	26.4
90.02789	0.7
91.02885	0.8
99.00880	8.3
101.02449	12.6
107.04985	0.8
109.02965	1.0
111.40051	0.7
113.02455	3.7
119.03507	3.0
120.36700	0.7
125.02511	1.8
131.03522	5.0
133.02959	19.2
134.03722	3.1
135.04527	100.0
136.04880	1.6
147.43663	0.8
149.04553	19.5
149.05835	1.1
155.03490	1.3
161.02441	77.3
161.04578	2.2
162.02840	1.1
173.04475	0.8
177.01927	1.1
177.05629	1.5
179.03497	25.4
191.04318	0.7
191.05670	6.6
199.62582	0.6
203.03470	1.2
221.04579	2.1
251.07803	1.4
293.08847	1.0
297.09763	8.8
318.42380	0.8
323.03864	1.5
323.07718	29.6
324.08112	2.3
341.08786	2.4
347.16968	1.2
403.27866	0.8
459.12973	31.5
460.13367	2.3
465.23325	6.4
467.24460	1.1
503.12463	1.7
503.20340	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	15.8
61.54788	1.0
69.53663	1.2
69.53994	4.1
71.01376	10.2
73.02931	3.5
74.20115	0.9
85.02965	1.1
89.02422	5.6
97.02938	1.4
98.22634	2.1
101.02438	7.3
101.02988	1.2
107.20876	0.9
109.02267	1.0
113.02446	3.0
116.99976	1.0
119.03468	1.6
125.02428	1.1
131.05020	2.0
133.02948	18.6
134.03737	3.9
135.04520	61.8
136.04861	1.9
141.01698	1.2
148.05310	1.9
149.06090	11.3
161.02437	100.0
162.02737	2.5
175.03925	1.5
177.05573	22.7
178.02670	1.2
179.03488	81.4
180.03902	2.4
194.13809	1.0
203.03523	3.6
212.84059	1.1
221.04530	35.7
233.04532	1.1
239.11400	1.2
251.05600	33.8
281.06641	53.8
282.07037	2.3
293.08752	2.1
305.06860	1.3
319.07083	1.3
323.07706	6.4
341.08728	67.2
342.09076	3.0
383.09775	12.5
395.09702	5.1
413.10889	10.8
443.11914	4.9
503.14023	15.7
513.82983	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	22.7
64.01306	1.6
69.29469	4.9
69.29853	3.3
71.01382	12.7
73.02953	4.2
78.95879	1.6
85.02952	3.6
87.00871	2.8
89.02453	8.4
95.05078	1.9
96.96012	26.2
98.21857	3.3
99.54908	1.6
101.02446	8.6
109.02975	2.2
113.02441	4.8
119.03532	2.0
131.03534	2.1
131.50529	1.6
133.02957	18.7
134.03748	9.8
135.04526	85.5
137.02423	3.6
148.05312	2.5
149.06082	18.6
155.09361	1.6
161.02452	74.8
162.02673	1.8
165.05571	3.7
175.04022	1.8
177.05586	33.4
178.05779	2.2
179.03510	100.0
186.36575	1.6
198.15726	1.6
221.04565	53.2
221.06717	2.5
233.04478	3.5
241.17918	1.6
251.03082	2.8
251.05617	42.9
281.06680	79.3
282.07086	2.5
305.06589	4.1
323.07700	14.8
341.04611	2.6
341.08749	53.0
383.09662	3.3
395.09866	3.8
413.11047	5.6
485.12820	4.6
503.13843	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	503.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67841	0.6
55.60879	0.6
56.98706	0.8
59.01381	10.9
60.74604	0.7
63.72450	0.8
69.29078	3.9
71.01382	9.1
73.02962	1.6
85.02950	1.5
89.02451	5.9
89.39382	0.9
101.02438	4.4
109.86514	0.8
113.02476	2.2
122.98407	0.8
132.02155	1.3
133.02956	24.7
134.03763	3.9
135.04532	53.0
136.04927	1.3
137.02444	1.6
148.05296	1.2
149.06111	5.2
161.02452	100.0
162.02844	2.1
169.38437	0.7
177.05574	14.9
178.02692	0.9
179.03506	60.9
180.03886	1.1
203.03419	1.7
220.12489	0.9
221.04555	21.9
221.06737	1.2
222.04758	1.5
251.05611	21.0
251.08231	1.3
281.06665	38.3
282.06961	1.3
293.08798	1.3
323.07574	7.6
341.08740	42.3
342.09119	2.1
383.09558	4.3
395.09796	2.5
413.10916	7.4
443.12000	2.0
462.82962	0.8
503.14096	46.8
504.14499	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	503.1564
Annotation	Dracunculifoside K
Peak:m/z	Relative Intensity
50.97388	0.4
53.28176	0.3
55.01869	0.8
57.03452	1.6
59.01378	20.4
66.77071	0.2
69.03455	0.8
71.01380	20.0
72.99294	0.3
73.02948	5.4
83.01385	3.0
84.48945	0.3
85.02948	6.2
87.00867	1.3
89.02444	15.7
89.03965	0.4
90.02773	0.3
91.36357	0.3
91.85082	0.3
93.03453	0.6
95.01390	0.8
95.04971	0.3
96.95998	1.5
97.02950	1.2
98.21859	0.7
99.00876	3.3
101.02443	14.4
101.34662	0.3
102.02759	0.3
103.51329	0.3
105.03477	1.1
107.05045	0.5
109.02979	0.6
111.00864	1.7
113.02446	5.8
115.04025	0.4
117.03455	1.1
119.03512	1.2
121.02927	0.4
125.02464	2.0
131.01352	0.3
131.03510	5.3
132.02153	2.1
132.03836	0.3
133.02956	37.0
134.03807	2.7
135.04526	28.2
135.05605	0.4
136.04855	1.0
137.02429	0.6
139.04021	0.3
141.36528	0.3
143.03510	1.0
145.03027	0.5
146.03741	17.9
147.04556	1.4
148.05579	0.3
149.04556	7.5
149.06062	1.3
150.04948	0.4
155.03467	0.3
159.02982	0.4
159.04498	0.6
160.01595	0.4
161.02446	100.0
161.04594	3.3
161.06087	5.7
162.02791	2.1
163.04022	0.9
164.04794	13.6
165.05563	0.5
168.66034	0.3
175.04008	1.1
177.01941	1.5
177.05550	3.8
178.02547	0.8
179.03514	16.8
179.07111	12.7
180.03793	0.3
189.05563	0.3
191.05620	2.7
203.03514	1.4
203.05394	0.3
209.15524	1.0
215.05568	0.4
220.03743	0.4
221.04529	4.2
233.06706	1.5
251.05547	0.6
263.05597	1.1
280.05905	0.9
293.08871	0.6
308.62228	0.3
323.07700	43.4
324.08017	1.7
337.08765	0.3
341.08447	0.5
353.19724	0.6
371.20718	7.7
411.80798	0.3
455.15433	0.4
459.13223	0.7
465.23807	0.3
503.15631	54.0
503.24915	19.8
504.15909	3.5
504.25278	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.9
57.03436	3.1
58.00579	1.0
59.01378	48.1
69.03441	1.4
69.56965	1.2
69.57344	1.1
71.01382	50.2
72.99311	1.4
73.02554	1.0
73.02946	18.7
75.00861	1.6
80.91708	0.7
81.03454	1.2
83.01373	6.6
85.02948	19.6
87.00869	2.6
89.02444	32.8
93.03445	1.8
93.10582	0.5
95.01373	3.6
97.02954	3.5
99.00892	10.5
99.04506	0.6
101.02444	36.5
102.02741	0.7
107.05026	0.9
109.02951	1.8
111.00878	1.5
113.02455	18.7
115.04001	1.7
117.03418	0.7
119.03512	5.9
123.04513	0.6
125.02459	5.0
127.04008	1.3
128.99243	0.5
131.03502	6.0
133.02957	12.5
134.03746	4.9
135.04524	61.7
136.04851	1.3
137.02487	2.8
139.03918	0.6
143.03474	3.5
148.05293	2.6
149.04550	11.8
149.06070	9.8
159.03004	2.7
161.02446	53.3
161.04491	16.6
162.02838	1.1
163.04034	0.9
173.04533	1.1
175.04037	1.2
177.05569	23.1
178.02722	1.5
179.03494	70.1
180.03925	0.8
191.05598	18.4
203.03496	1.8
209.15433	1.1
221.04544	30.4
221.06718	1.6
233.04663	0.9
233.06618	3.5
251.05579	37.2
252.05946	0.7
268.03726	0.9
269.04483	0.8
275.71246	0.6
279.12323	0.9
281.06653	62.7
282.07022	2.4
293.08850	3.0
311.14853	0.8
323.07645	2.5
341.08755	25.1
342.09195	0.7
361.11154	0.9
371.20731	19.6
443.19217	3.9
503.24979	100.0
504.25342	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	503.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.7
57.03447	3.8
57.09018	0.2
58.00599	0.6
59.01380	42.0
60.01731	0.2
68.99820	0.4
69.03454	2.1
69.47878	0.8
71.01381	52.1
72.01720	0.3
72.99317	1.2
73.02946	20.2
75.00868	1.2
81.03440	1.1
83.01385	8.1
84.02172	0.2
85.02951	21.1
86.00096	0.5
87.00875	3.1
89.02444	24.1
93.03456	0.8
95.01383	3.4
95.05016	0.2
97.02949	3.5
99.00880	9.8
99.04528	0.6
100.01678	0.2
101.02444	42.2
102.02785	0.3
108.19964	0.2
109.02956	0.3
111.00882	2.3
111.04500	0.4
113.02451	17.1
115.04010	2.0
119.03496	2.9
121.03030	0.2
123.04517	0.5
125.02454	4.5
127.04044	0.2
129.01949	1.1
131.03511	6.4
132.02190	0.2
133.02957	7.3
134.03767	0.6
135.04530	7.6
135.98100	0.2
137.02454	0.4
137.09720	0.8
139.04008	0.3
141.01970	0.2
143.03496	2.4
146.03748	3.2
147.04561	0.3
149.04562	6.0
149.05884	0.4
149.09808	0.3
155.03516	0.4
159.03006	2.8
161.02448	19.6
161.04559	13.3
161.06010	1.0
162.02869	0.5
163.04143	0.2
164.04808	2.1
167.03523	0.6
173.04555	3.1
175.04027	0.2
176.98138	0.2
177.01926	0.3
177.05580	0.8
178.02623	0.2
179.03517	4.8
179.05235	0.3
179.05640	0.3
179.07115	2.3
180.03925	0.2
191.05621	2.6
203.03548	0.7
203.05431	0.3
209.15454	5.6
215.05672	0.7
218.35269	0.2
221.04536	0.8
221.15398	0.2
228.19014	0.2
233.04384	0.2
233.06648	3.5
263.05576	0.3
293.08762	2.1
323.07684	8.5
324.08148	0.2
324.29568	0.2
326.11716	0.3
328.48434	0.2
341.08710	1.4
341.13141	0.2
353.19705	0.6
371.20737	40.8
372.21115	1.4
503.16074	8.2
503.24988	100.0
504.16187	0.6
504.25244	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13463	9.9
59.01373	25.1
69.22233	63.9
71.01392	10.6
71.72857	10.0
84.95290	9.7
89.02447	11.9
98.21872	21.5
101.02449	25.1
111.00881	100.0
112.01195	22.0
114.15106	10.8
127.14883	10.5
135.04453	16.5
161.02481	22.9
173.00900	25.4
179.32393	14.7
188.18907	11.0
191.05531	17.9
230.09711	10.7
374.78827	13.9
399.23920	13.8
503.33896	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	503.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53525	0.7
57.03438	1.3
58.00622	1.1
59.01379	49.2
61.98822	2.2
67.01889	22.8
68.99820	2.2
69.03449	2.6
69.67780	2.6
71.01384	38.8
71.05019	5.6
72.99303	1.8
73.02951	12.7
75.00871	21.1
78.63953	0.8
83.01387	2.1
85.02951	8.6
87.00866	1.4
87.04525	1.2
89.02444	54.7
90.02800	0.9
95.01386	6.7
95.05025	3.5
97.02946	3.1
99.00876	16.0
99.04520	3.3
101.02444	36.1
112.01620	1.3
113.02463	8.6
115.04013	1.4
119.03507	5.3
121.02978	1.9
123.04514	6.5
125.02444	3.9
127.04018	100.0
128.04401	1.7
131.03503	10.7
133.02968	8.0
135.04530	34.5
136.04825	1.2
138.69530	1.0
143.03508	1.7
149.02615	6.5
149.04559	41.2
149.05844	1.9
155.03513	18.4
159.06615	3.7
161.02449	28.2
161.04556	3.9
163.03918	1.1
173.04536	1.4
175.04056	1.1
179.03522	6.9
191.05614	10.2
193.05093	1.7
200.86955	0.8
203.03514	1.5
221.06734	2.7
221.40825	0.9
233.06548	1.0
239.09319	1.6
251.07703	3.5
251.53979	0.7
271.08228	14.0
293.08737	3.8
297.09808	3.3
299.05612	1.3
309.09894	5.3
323.07654	7.3
323.11359	2.0
324.08130	0.9
371.20651	3.7
459.13034	16.1
497.47232	0.9
503.17639	56.2
503.24945	13.9
503.33234	2.3
504.17969	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	503.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.2
57.04251	0.2
59.01381	5.8
60.99287	0.3
61.93353	0.2
67.01902	1.0
69.03461	0.6
69.73690	0.7
71.01384	2.6
72.99295	0.2
73.02941	0.9
81.03449	0.5
83.01369	0.2
83.05031	0.6
85.02948	8.1
87.00884	2.1
89.02450	0.9
93.03461	6.9
95.01385	0.3
98.21882	0.3
99.00897	0.5
99.04493	0.4
101.02451	1.3
109.02947	0.5
111.00893	0.3
111.04529	1.7
113.02464	1.1
116.92857	0.2
117.03429	0.2
119.03497	0.2
125.02459	0.3
125.06087	0.2
127.04018	2.0
133.01364	0.2
133.02939	0.5
135.04497	0.6
136.01677	0.3
137.02443	0.3
145.02867	0.3
146.08229	0.8
149.04486	0.2
151.00380	0.2
153.02002	0.2
155.03508	0.3
161.02432	0.8
161.04558	0.6
171.03017	0.4
173.04550	3.4
179.03510	0.5
191.05618	100.0
192.05971	1.6
207.13899	1.3
208.90883	0.2
217.11955	0.2
221.79854	0.2
223.13393	1.6
233.11891	0.2
235.13351	1.2
251.12814	0.9
253.14519	0.4
269.04535	0.6
277.12247	0.7
279.12363	9.1
280.12677	0.5
285.04062	0.4
288.06424	0.5
311.15027	2.3
321.33359	0.2
325.14648	0.4
343.15518	0.5
371.20871	0.4
385.89969	0.2
443.23169	0.2
457.20688	2.3
458.20978	0.2
471.18811	1.2
503.21628	1.7
503.32910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2489
Annotation	Foliasalacioside D
Peak:m/z	Relative Intensity
52.48460	0.3
55.01883	1.1
56.81439	0.3
57.03445	1.1
58.00596	1.3
59.01376	80.6
60.01705	0.4
61.31031	0.3
68.99818	0.5
69.03456	1.2
69.67485	0.4
69.67815	0.9
71.01379	58.9
72.01730	0.7
72.99313	1.4
73.02943	20.6
74.02612	0.3
75.00869	0.6
77.47561	0.3
83.01382	2.3
85.02945	7.3
87.00871	1.1
89.02441	100.0
90.02778	0.7
95.01387	1.4
96.96019	0.6
97.02948	1.3
98.21936	0.7
99.00880	29.0
99.04531	0.4
101.02442	42.8
108.98074	0.3
113.02448	12.0
115.04031	1.0
116.92883	0.7
119.03497	6.4
119.04308	0.5
123.04543	0.5
125.02441	5.3
125.88357	0.3
131.03503	22.3
133.02975	0.4
135.04517	1.7
143.03497	2.1
149.04550	77.9
150.04939	1.0
155.03487	0.8
161.02486	1.4
161.04561	4.4
179.03499	1.0
179.05623	1.3
191.05612	17.5
209.15350	0.4
221.06660	3.0
233.06638	0.9
247.41380	0.4
251.07730	6.1
263.07587	0.3
293.08789	2.0
309.08017	0.3
311.09705	1.2
323.07489	0.4
332.34644	0.3
371.20770	0.5
443.22443	0.3
485.24277	0.3
503.18695	0.8
503.24994	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	503.2496
Annotation	Foliasalacioside D
Peak:m/z	Relative Intensity
51.06074	0.5
55.01878	2.8
56.78979	0.4
57.03450	3.1
58.00607	0.6
59.01380	66.0
67.01893	0.5
69.03455	1.5
71.01382	60.7
72.01717	0.8
72.99329	1.0
73.02946	20.7
75.00874	1.0
78.38512	0.4
81.03444	0.7
83.01385	5.7
83.05014	0.5
84.95125	1.4
85.02953	19.7
87.00875	3.3
89.02446	50.0
93.03452	2.4
95.01389	3.7
97.02935	3.6
99.00880	14.8
99.04463	0.6
101.02442	43.8
107.05011	0.5
109.02966	1.4
110.64499	0.4
111.00861	1.1
111.04483	1.0
113.02451	19.7
115.04006	2.5
117.03450	0.6
119.03503	8.9
121.03004	0.5
125.02448	4.7
127.04091	1.0
129.01981	0.5
131.03513	8.8
133.02957	11.7
134.03760	4.3
135.04529	49.0
136.04907	1.0
137.02440	1.6
139.03990	0.8
143.03494	3.3
145.69093	0.4
148.05295	1.8
149.04564	20.3
149.06075	9.8
150.03110	0.5
155.03441	0.4
159.02985	2.7
159.04344	0.8
161.02454	44.0
161.04509	16.1
162.02809	1.4
164.04785	0.6
173.04552	1.7
175.04060	0.6
177.05576	18.5
178.02759	0.8
178.05861	0.6
179.03500	57.6
179.05466	2.4
180.03868	1.6
189.05605	0.5
191.05614	27.4
192.06029	0.5
203.03600	1.3
207.13861	0.5
209.15465	1.5
221.04550	26.8
221.06401	1.1
233.04596	1.0
233.06667	3.0
245.04617	0.6
251.05580	27.7
252.05977	1.2
279.12503	1.4
281.06662	46.9
282.07053	1.8
293.08740	3.6
295.21365	0.5
299.05478	0.6
301.06659	0.5
305.06860	0.9
311.15048	1.6
323.07770	2.3
341.04599	1.1
341.08768	21.5
342.09171	1.1
361.10980	0.9
371.20743	21.7
372.21054	0.8
378.70084	0.6
443.19141	4.5
503.25006	100.0
504.25458	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	503.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60490	0.2
55.01876	3.8
57.03448	3.8
58.00598	0.4
59.01381	38.5
61.83468	0.1
62.06025	0.2
67.01884	0.2
69.03458	1.6
69.16562	1.0
71.01383	46.9
72.01723	0.4
72.99306	1.0
73.02948	21.0
75.00878	1.4
81.03461	0.8
82.89096	0.2
83.01385	7.6
84.02171	0.3
85.02951	20.2
86.00109	0.4
87.00885	2.6
89.02447	19.7
93.03468	0.3
95.01386	3.2
97.02956	2.8
99.00884	9.7
99.04514	0.7
101.02445	40.2
102.02768	0.3
109.02950	0.2
111.00889	1.3
113.02456	16.5
115.04019	1.8
119.03509	2.8
123.00894	0.2
123.08167	0.2
125.02454	3.7
127.04064	0.3
129.01926	0.9
131.03500	3.3
133.02971	1.0
135.04536	1.9
137.09750	0.7
139.11307	0.2
141.01999	0.3
143.03496	2.5
146.03752	0.6
149.04558	4.2
149.09688	0.4
151.11234	0.2
155.03590	0.2
159.01801	0.3
159.03004	3.2
161.02510	3.3
161.04555	14.0
164.04736	0.2
173.04626	0.8
173.05959	0.2
177.05540	0.2
179.03522	1.4
179.05566	0.4
179.07040	0.3
191.05673	1.6
209.15471	5.7
215.05548	0.2
233.06657	2.8
233.15564	0.4
251.07811	0.2
275.07684	0.3
279.16037	0.2
293.08817	1.5
323.07718	1.4
341.08826	0.3
353.19617	0.3
371.20740	43.1
372.21161	1.7
503.24994	100.0
504.25290	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	503.2495
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
51.51137	0.3
55.01877	5.0
57.03444	5.1
58.00591	0.7
59.01378	46.3
60.01707	0.3
69.03456	1.9
69.15359	1.2
70.02558	0.2
71.01379	55.7
72.01741	0.3
72.99300	1.4
73.02944	23.7
75.00874	1.6
79.01881	0.3
81.03452	1.1
83.01387	9.6
85.02948	25.0
86.00088	0.5
86.12659	0.3
87.00876	2.9
89.02442	21.8
95.01385	3.5
97.02962	2.9
99.00873	10.3
101.02440	44.0
102.02752	0.5
111.00895	1.4
112.01665	0.3
113.02444	18.3
113.73002	0.3
115.04003	2.3
119.03496	2.9
123.04430	0.3
123.08209	0.5
124.67989	0.2
125.02444	3.8
127.03964	0.3
129.01964	0.8
131.03494	3.6
133.02940	1.4
134.03793	0.4
135.04520	5.6
137.09706	0.7
143.03528	2.2
149.04555	4.5
155.03394	0.3
159.03003	2.9
161.02501	4.3
161.04553	16.0
164.04886	0.4
173.04533	0.6
179.03491	3.4
179.04997	0.4
179.05655	0.3
191.05627	1.6
209.15465	6.7
210.15742	0.4
215.05614	0.4
233.06651	2.9
279.16168	0.3
293.08786	1.7
318.86218	0.3
323.07700	2.5
341.08997	0.4
353.19943	0.4
371.20721	48.2
372.20984	2.4
461.32458	0.3
475.15814	0.3
503.24969	100.0
504.25266	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	503.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.1
56.13193	0.4
57.03451	3.0
59.01380	34.8
65.09901	0.4
66.91529	0.4
69.03455	1.7
69.19904	2.1
71.01382	45.8
72.01738	0.5
72.99309	1.3
73.02944	19.7
75.00862	1.1
81.03477	0.6
83.01388	7.8
83.01873	0.5
85.02950	17.3
86.00108	0.6
87.00868	1.7
89.02448	18.3
93.03458	0.5
95.01380	3.7
97.02962	3.2
99.00879	10.1
99.04538	0.5
101.02445	38.9
111.00906	1.0
113.02452	15.9
115.04016	1.4
119.03526	2.7
122.34985	0.4
123.08200	0.4
125.02438	3.5
129.01941	0.7
131.03499	3.5
133.02969	3.1
134.03760	0.6
135.03476	0.7
135.04520	13.8
136.04839	0.6
137.09752	0.4
141.01929	0.6
143.03548	1.9
149.04549	4.8
159.02992	4.2
161.01065	0.8
161.02470	13.4
161.04547	13.4
165.05554	0.6
167.02254	0.5
173.04552	0.6
175.03804	0.4
177.05696	0.5
179.03499	11.9
179.07333	0.4
191.05643	1.8
209.15431	4.2
221.04616	1.5
233.06656	3.1
251.05595	1.2
257.90448	0.4
279.15790	0.5
281.06689	1.4
293.08823	2.1
306.93304	0.4
323.07703	5.0
335.20877	0.5
341.08704	2.4
371.20737	36.0
372.21094	1.2
403.47427	0.6
465.23160	0.4
467.24939	6.0
503.12317	4.0
503.25012	100.0
504.12555	0.5
504.25323	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	504.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.3
61.98818	3.6
63.60932	0.4
64.81702	0.4
66.11501	0.4
67.27945	0.4
69.21358	0.7
69.21758	1.2
71.01384	5.7
71.97428	0.5
72.01749	0.5
73.02962	1.5
75.00860	0.5
78.47735	0.4
83.01437	0.6
83.60585	0.4
85.02962	1.0
89.02449	7.1
99.00908	1.5
101.02454	2.4
113.02445	0.5
119.05051	0.6
125.02489	2.2
127.04044	0.4
131.03548	1.1
134.03784	0.4
135.04526	0.8
135.62862	0.4
142.30603	0.4
143.03580	0.5
148.05342	1.5
149.04549	3.2
151.00404	0.5
156.91551	0.4
161.02455	1.6
161.04521	0.6
163.04063	0.5
191.05641	1.6
192.05989	0.5
231.62840	0.4
233.06706	1.7
255.02982	2.6
256.03683	1.1
283.02518	1.2
284.03262	60.1
285.03638	2.1
293.08813	4.4
294.09113	1.0
297.04034	1.1
299.05597	100.0
300.05847	3.2
341.06656	0.9
450.50491	0.5
503.25507	0.5
503.33105	0.5
504.25275	1.2
505.17300	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00948	0.2
59.01375	1.7
61.98827	100.0
69.03441	0.2
69.61671	0.5
71.01389	1.5
73.02956	0.6
85.02943	0.5
87.00852	0.3
89.02436	1.1
93.03462	0.5
98.01711	0.2
99.00885	0.3
101.02432	1.2
113.02505	0.4
119.03548	0.4
121.12817	0.2
133.02966	1.2
133.06612	0.6
134.03571	0.2
135.04527	2.5
136.04877	1.0
137.02434	0.3
139.41000	0.2
161.02444	3.7
161.04626	0.3
162.02727	1.1
166.57130	0.2
173.04572	0.4
177.01917	1.7
179.03488	2.0
180.03865	0.6
191.05672	1.0
271.58820	0.2
284.03214	1.9
285.03735	0.3
299.05594	3.7
323.07843	0.9
324.08109	0.7
372.21487	0.3
444.19116	0.6
504.11880	0.3
504.18777	0.4
504.25281	1.8
505.17154	0.7
505.26654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	1.5
58.09969	1.2
58.78467	1.1
59.01377	78.4
61.98811	1.3
69.03433	4.1
69.36607	2.4
69.36977	5.0
71.01381	55.0
71.01781	2.8
72.99339	1.5
73.02946	15.9
75.00838	1.9
81.03443	3.2
83.01370	2.6
85.02941	8.3
87.00861	2.5
89.02441	100.0
90.02777	1.5
95.01381	1.5
97.02933	9.2
99.00878	20.7
101.02438	30.3
111.00827	1.6
113.02470	8.1
115.03989	4.0
119.03459	2.9
123.61111	1.2
125.02444	33.1
131.03510	15.0
133.03009	1.4
143.03493	4.3
149.04556	54.9
161.02412	3.1
161.04524	2.8
167.10750	18.6
173.04552	2.4
191.05594	17.1
191.10770	2.6
209.11806	1.9
221.06570	3.5
221.11859	2.8
233.06622	17.5
251.07428	1.5
275.07791	3.7
285.03979	2.1
293.08780	58.3
294.09143	1.5
308.29630	1.4
311.09998	6.3
397.70108	1.1
504.25565	6.7
504.32230	1.7
504.72873	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	504.3096
Annotation	Talaroconvolutin B
Peak:m/z	Relative Intensity
55.64101	1.2
61.98822	2.7
78.95882	1.2
134.70180	1.1
196.62314	1.2
246.20486	1.2
279.23270	5.3
439.32288	18.0
471.89066	1.2
504.30966	100.0
505.30893	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	504.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85242	4.2
57.03439	5.2
59.01379	8.1
61.98803	10.5
66.53033	3.9
78.95896	10.0
79.49100	3.8
81.14656	4.3
85.02959	7.0
85.06589	9.1
87.04525	5.9
87.52879	3.8
102.20734	4.3
115.07648	100.0
143.07106	7.3
168.41307	4.2
173.08086	4.7
205.71783	4.5
225.22212	16.3
262.44974	3.9
271.22791	5.5
282.87073	4.7
327.29080	14.8
351.28931	9.7
369.30057	15.6
444.33340	41.4
504.34042	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	504.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83588	8.9
59.01368	35.6
59.37143	10.4
61.98814	11.8
69.22323	46.1
78.95901	13.1
98.21861	17.2
152.99539	10.9
175.50179	8.9
225.22232	23.3
255.42073	9.4
261.95395	8.7
273.98364	8.9
281.16583	9.2
283.26532	15.4
351.29044	100.0
444.33212	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62130	0.5
52.99750	0.6
59.01394	0.9
60.61695	0.6
62.93217	0.5
64.23081	0.6
71.44052	0.6
89.79569	0.8
96.95974	1.1
112.62836	0.6
121.02957	100.0
162.83958	0.8
181.06549	3.5
197.06078	2.5
207.04504	0.9
225.05603	2.9
257.09695	0.7
313.07224	2.5
357.05988	1.3
383.07681	0.9
417.09872	7.1
505.11523	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	505.1349
Annotation	Dracunculifoside C
Peak:m/z	Relative Intensity
57.03433	0.6
58.22142	0.3
59.01376	12.4
59.73642	0.3
61.98819	0.4
66.95897	0.3
68.01122	0.3
69.03440	0.4
71.01010	0.5
71.01379	7.4
71.52987	0.3
71.91686	0.3
72.01723	0.8
72.99281	0.3
73.02945	2.5
81.03462	0.4
83.01402	0.6
85.02954	2.3
87.00884	0.7
87.56670	0.4
89.02444	4.5
89.08360	0.3
93.03453	0.5
95.01344	0.4
95.05019	0.4
96.95985	0.4
98.21766	0.6
99.00867	0.8
101.02432	4.7
102.02791	0.7
102.98591	0.8
105.03440	0.5
107.05038	0.9
109.02957	3.3
109.06584	1.4
111.00922	1.0
113.02441	2.0
114.71719	0.3
115.01903	0.5
117.03465	1.0
119.03539	0.6
119.05027	2.0
121.02969	3.2
122.03735	0.5
125.02371	0.6
131.03479	1.0
132.02180	1.2
133.02951	27.3
134.03651	1.2
135.04518	12.6
135.05305	0.3
137.02440	0.6
137.06073	12.7
146.03688	0.4
149.04527	1.2
149.06053	0.5
161.02437	100.0
162.02745	3.1
163.02831	0.5
163.04073	0.6
165.41660	0.4
166.06335	1.9
173.04601	0.4
175.04054	0.4
177.01782	0.3
177.05545	1.2
178.02559	0.4
179.03491	6.7
180.03860	0.4
181.05052	38.0
181.08643	1.0
182.05403	1.2
187.24297	0.3
191.05612	1.1
197.63644	0.4
203.03470	0.5
221.04526	1.4
232.16722	0.3
239.78735	0.4
255.02905	1.0
280.06067	0.3
281.06607	0.4
283.02396	1.0
283.05081	0.6
285.03903	0.4
293.08789	0.4
323.03833	0.5
323.07681	9.6
324.07877	0.4
325.08237	0.5
325.20569	0.3
329.13794	0.7
343.10321	17.9
344.10715	0.9
371.20776	0.8
372.21021	0.9
373.21497	1.7
419.66946	0.4
444.32761	0.4
463.21957	0.4
504.25201	1.0
505.13834	21.9
505.25934	6.9
506.14304	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1359
Annotation	Dracunculifoside C
Peak:m/z	Relative Intensity
59.01114	1.2
59.01385	19.0
61.98800	1.0
67.29914	0.9
68.99801	2.3
69.03467	2.1
71.01380	11.7
71.44996	1.0
72.99304	5.3
73.02939	4.2
75.00889	5.5
78.95890	2.7
81.03443	1.7
83.01432	1.1
85.02937	3.6
87.00859	2.7
88.43250	0.9
89.02455	10.8
90.48173	0.8
90.48717	0.9
93.03467	7.2
95.01378	3.9
99.00890	2.3
99.92590	1.6
101.02447	12.7
102.98581	3.5
107.05062	1.1
109.02950	1.8
110.98507	1.0
113.02441	3.5
115.00394	1.4
116.92876	5.6
117.01923	2.6
117.03443	1.2
119.03602	1.5
119.05034	10.7
120.99693	1.3
122.03741	0.9
123.04510	3.1
123.05482	0.8
125.02423	1.5
127.04031	0.8
131.03494	1.7
132.02162	1.2
133.02963	26.3
134.03712	1.6
135.04535	21.7
135.08139	3.7
137.02486	1.1
145.02919	1.3
149.04567	4.5
149.05954	1.0
152.03537	2.0
153.09221	1.9
155.03500	9.3
161.02451	100.0
161.04602	3.0
162.02763	2.4
163.02875	1.2
163.04018	13.6
163.06055	1.0
176.57393	0.8
177.01825	1.4
177.05519	3.1
179.03481	11.1
179.05022	1.2
179.05643	1.2
179.95625	1.0
180.03813	1.2
181.05072	34.6
191.05568	4.0
197.08171	3.8
209.32391	0.8
221.04544	3.8
232.44789	0.9
251.05476	1.7
255.05269	1.5
255.10106	1.0
281.06607	1.8
282.07080	1.0
283.04907	3.5
323.07611	4.5
341.09106	0.9
343.10355	7.7
417.46774	1.0
435.15204	1.5
463.21631	5.5
505.13434	88.4
505.26227	2.8
506.13901	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	505.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01114	1.2
59.01385	19.0
61.98800	1.0
67.29914	0.9
68.99801	2.3
69.03467	2.1
71.01380	11.7
71.44996	1.0
72.99304	5.3
73.02939	4.2
75.00889	5.5
78.95890	2.7
81.03443	1.7
83.01432	1.1
85.02937	3.6
87.00859	2.7
88.43250	0.9
89.02455	10.8
90.48173	0.8
90.48717	0.9
93.03467	7.2
95.01378	3.9
99.00890	2.3
99.92590	1.6
101.02447	12.7
102.98581	3.5
107.05062	1.1
109.02950	1.8
110.98507	1.0
113.02441	3.5
115.00394	1.4
116.92876	5.6
117.01923	2.6
117.03443	1.2
119.03602	1.5
119.05034	10.7
120.99693	1.3
122.03741	0.9
123.04510	3.1
123.05482	0.8
125.02423	1.5
127.04031	0.8
131.03494	1.7
132.02162	1.2
133.02963	26.3
134.03712	1.6
135.04535	21.7
135.08139	3.7
137.02486	1.1
145.02919	1.3
149.04567	4.5
149.05954	1.0
152.03537	2.0
153.09221	1.9
155.03500	9.3
161.02451	100.0
161.04602	3.0
162.02763	2.4
163.02875	1.2
163.04018	13.6
163.06055	1.0
176.57393	0.8
177.01825	1.4
177.05519	3.1
179.03481	11.1
179.05022	1.2
179.05643	1.2
179.95625	1.0
180.03813	1.2
181.05072	34.6
191.05568	4.0
197.08171	3.8
209.32391	0.8
221.04544	3.8
232.44789	0.9
251.05476	1.7
255.05269	1.5
255.10106	1.0
281.06607	1.8
282.07080	1.0
283.04907	3.5
323.07611	4.5
341.09106	0.9
343.10355	7.7
417.46774	1.0
435.15204	1.5
463.21631	5.5
505.13434	88.4
505.26227	2.8
506.13901	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	505.1557
Annotation	Chironiside
Peak:m/z	Relative Intensity
51.67942	1.5
51.88472	1.7
57.03430	1.9
58.00564	1.5
59.01378	100.0
60.47523	1.4
63.65757	1.7
68.59723	1.6
69.03458	29.6
70.65369	1.8
71.01380	53.3
71.05025	1.8
72.99297	2.4
73.02949	16.6
74.99053	2.7
75.00841	5.4
83.01347	2.0
85.02961	11.2
87.00833	7.0
87.18271	1.5
89.02443	80.2
93.03434	7.6
95.01329	2.6
97.02948	78.7
99.00875	1.9
101.02444	38.7
103.01469	3.4
105.03437	3.3
113.02447	10.5
115.00346	1.8
115.03997	14.9
119.03442	3.3
121.02892	2.9
123.04498	18.7
125.02415	2.7
127.03970	3.6
130.04335	1.5
131.03508	22.3
133.02885	3.1
138.14937	1.6
141.01909	7.7
149.04468	50.7
149.05978	19.0
149.53123	1.5
151.03920	7.3
155.03403	4.7
161.02440	2.9
167.07114	10.1
173.04475	1.9
177.94766	1.6
178.99280	1.6
179.03383	5.4
179.97546	1.7
181.05107	3.4
191.03973	3.2
191.05605	55.6
193.05067	37.3
194.05721	5.7
196.07446	2.4
209.08165	13.0
273.47839	1.7
373.14566	5.3
421.89706	2.0
505.15222	87.2
506.15561	4.5
514.21063	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67942	1.5
51.88472	1.7
57.03430	1.9
58.00564	1.5
59.01378	100.0
60.47523	1.4
63.65757	1.7
68.59723	1.6
69.03458	29.6
70.65369	1.8
71.01380	53.3
71.05025	1.8
72.99297	2.4
73.02949	16.6
74.99053	2.7
75.00841	5.4
83.01347	2.0
85.02961	11.2
87.00833	7.0
87.18271	1.5
89.02443	80.2
93.03434	7.6
95.01329	2.6
97.02948	78.7
99.00875	1.9
101.02444	38.7
103.01469	3.4
105.03437	3.3
113.02447	10.5
115.00346	1.8
115.03997	14.9
119.03442	3.3
121.02892	2.9
123.04498	18.7
125.02415	2.7
127.03970	3.6
130.04335	1.5
131.03508	22.3
133.02885	3.1
138.14937	1.6
141.01909	7.7
149.04468	50.7
149.05978	19.0
149.53123	1.5
151.03920	7.3
155.03403	4.7
161.02440	2.9
167.07114	10.1
173.04475	1.9
177.94766	1.6
178.99280	1.6
179.03383	5.4
179.97546	1.7
181.05107	3.4
191.03973	3.2
191.05605	55.6
193.05067	37.3
194.05721	5.7
196.07446	2.4
209.08165	13.0
273.47839	1.7
373.14566	5.3
421.89706	2.0
505.15222	87.2
506.15561	4.5
514.21063	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93281	0.5
59.01377	10.1
61.25320	0.4
69.03449	0.6
71.01377	5.1
73.02946	0.9
79.76664	0.4
85.02950	1.4
89.02444	5.8
93.03470	0.7
96.96018	1.0
97.02929	1.0
99.00828	0.6
101.02441	4.5
105.03446	0.6
113.02451	1.5
117.03422	1.0
119.03505	1.5
123.04505	0.5
125.02515	0.4
131.03470	0.6
132.02170	1.3
133.02959	27.6
134.03786	0.9
135.04527	16.6
136.04840	0.6
138.05602	1.6
143.03461	0.6
149.04568	0.6
149.06075	0.4
161.02443	100.0
162.02855	2.3
163.06096	0.7
165.91803	0.5
166.57375	0.5
169.40166	0.4
177.05544	1.3
179.03499	14.8
181.07185	1.9
221.04562	3.0
251.05600	2.0
255.10281	0.7
281.06708	3.3
326.96518	0.5
341.08817	0.8
445.12384	0.8
462.16296	0.6
497.09702	0.5
505.15607	93.2
506.15991	4.6
519.78564	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1567
Annotation	Chironiside
Peak:m/z	Relative Intensity
57.03445	1.3
59.01380	67.7
61.98856	3.0
67.01852	1.4
68.82260	1.1
69.03455	23.8
71.01385	48.5
71.01782	2.6
72.99283	1.5
73.02952	15.1
74.99084	5.0
83.01378	2.1
85.02926	6.7
87.00866	3.2
89.02448	79.5
90.02731	1.3
93.03464	4.0
95.03673	1.2
97.02952	68.0
99.00877	17.0
101.02452	26.1
103.04017	1.4
103.87315	1.3
105.03466	2.6
107.04369	1.3
107.05034	5.0
108.02190	1.3
108.42248	1.2
111.00803	1.4
113.02450	9.8
118.98129	1.6
119.03490	3.9
119.05043	5.4
121.03002	1.4
121.06617	2.2
123.04552	15.2
125.02444	4.9
131.03505	19.5
135.04518	1.5
137.06108	11.7
141.01932	4.1
143.03461	1.5
149.04544	36.0
149.06071	14.9
155.03502	1.6
161.04585	2.7
167.07155	8.9
172.24731	1.2
179.13602	1.2
191.05589	12.5
193.05058	23.5
227.23828	1.2
227.62558	1.2
237.04399	1.9
251.07588	1.5
255.10181	1.5
293.08810	4.1
295.09482	1.3
299.04419	2.1
433.13965	1.5
445.16953	2.7
505.15610	100.0
506.15863	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	505.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.9
61.19831	0.7
68.99812	0.8
69.03458	2.6
69.76083	2.3
71.01380	27.2
72.99305	3.6
73.02952	2.2
76.59978	0.7
82.97039	0.6
85.02936	3.8
87.00925	1.8
89.02449	12.6
89.03990	2.9
93.03480	0.9
96.96022	1.4
98.21941	0.7
99.00873	0.9
101.02429	7.9
105.03441	3.7
113.02453	3.0
115.00372	46.5
116.92855	1.8
119.05032	1.3
131.03453	3.7
133.01433	100.0
133.02901	9.5
134.01735	1.1
135.04532	2.4
142.73875	0.8
145.02998	0.8
149.04558	8.0
159.04448	0.7
160.05344	2.6
161.02408	1.8
161.04617	1.2
172.05312	9.3
173.04601	1.4
173.05981	1.3
174.06871	0.8
176.01270	0.9
177.01923	96.3
178.02269	1.8
179.03540	1.8
185.06152	1.1
186.06857	1.1
187.03969	3.6
191.05614	8.1
192.05870	0.8
193.06114	1.0
199.03981	1.5
200.04759	1.8
201.05540	1.7
202.06351	2.5
227.03470	5.1
228.04240	3.3
229.19293	0.8
255.03046	1.4
257.15552	1.2
283.02277	0.7
283.13391	37.0
284.13745	1.2
293.08615	0.8
301.14468	16.6
309.15121	5.6
311.12540	1.1
327.15979	5.3
345.17050	45.3
346.17279	1.8
353.13727	1.5
371.14951	24.9
372.15283	1.9
445.20721	2.7
505.16946	16.5
505.25986	2.8
505.33020	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1715
Annotation	4,6,2',4'-Tetramethoxychalcone 2'-beta-glucoside
Peak:m/z	Relative Intensity
51.74920	0.3
56.09528	0.3
57.03432	0.3
59.01369	1.5
59.01645	0.3
63.02402	0.4
65.00286	0.3
65.03963	1.2
65.44603	0.3
68.99832	0.4
69.65823	0.7
71.01379	4.5
73.02942	1.3
75.00874	0.5
75.02406	1.4
77.03967	0.5
83.01388	0.7
85.02948	2.2
89.02454	0.3
91.01893	9.1
91.23051	0.3
92.02686	0.9
93.03459	14.5
95.01365	0.8
95.05031	0.4
98.22552	0.6
99.00875	0.6
101.02422	2.1
103.01917	0.7
105.03452	0.8
106.04244	0.9
107.05029	18.1
109.02969	0.7
113.02466	1.1
115.00359	1.0
117.03462	0.4
119.01377	3.0
120.02167	2.7
121.02956	27.0
122.03724	0.4
123.04572	0.5
125.02451	0.6
133.01440	3.3
133.02927	2.5
134.03766	3.3
135.04517	0.9
136.01640	0.9
137.02431	2.6
139.04018	0.9
142.26991	0.4
147.04544	0.7
148.05304	59.3
149.02422	1.0
149.05957	1.4
151.03999	8.7
152.04396	0.4
153.05579	4.7
153.06734	0.6
159.04556	0.5
161.02429	0.8
161.04550	0.9
161.05991	0.5
162.03227	0.4
162.06825	0.7
163.07648	38.7
164.07974	0.7
165.01959	3.3
177.01904	0.7
177.05698	0.3
178.02722	3.5
179.03499	24.3
191.05562	0.8
197.04532	1.3
197.06142	0.4
205.05144	0.4
211.13371	0.5
255.02977	0.9
283.02148	0.5
294.03851	0.8
299.51904	0.4
301.14514	0.4
309.06192	0.5
309.15021	0.9
327.15955	3.3
341.08719	6.5
345.17108	3.7
362.45154	0.3
371.14871	1.0
389.16351	0.9
477.16895	0.3
505.17166	100.0
506.17480	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	505.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.9
61.19831	0.7
68.99812	0.8
69.03458	2.6
69.76083	2.3
71.01380	27.2
72.99305	3.6
73.02952	2.2
76.59978	0.7
82.97039	0.6
85.02936	3.8
87.00925	1.8
89.02449	12.6
89.03990	2.9
93.03480	0.9
96.96022	1.4
98.21941	0.7
99.00873	0.9
101.02429	7.9
105.03441	3.7
113.02453	3.0
115.00372	46.5
116.92855	1.8
119.05032	1.3
131.03453	3.7
133.01433	100.0
133.02901	9.5
134.01735	1.1
135.04532	2.4
142.73875	0.8
145.02998	0.8
149.04558	8.0
159.04448	0.7
160.05344	2.6
161.02408	1.8
161.04617	1.2
172.05312	9.3
173.04601	1.4
173.05981	1.3
174.06871	0.8
176.01270	0.9
177.01923	96.3
178.02269	1.8
179.03540	1.8
185.06152	1.1
186.06857	1.1
187.03969	3.6
191.05614	8.1
192.05870	0.8
193.06114	1.0
199.03981	1.5
200.04759	1.8
201.05540	1.7
202.06351	2.5
227.03470	5.1
228.04240	3.3
229.19293	0.8
255.03046	1.4
257.15552	1.2
283.02277	0.7
283.13391	37.0
284.13745	1.2
293.08615	0.8
301.14468	16.6
309.15121	5.6
311.12540	1.1
327.15979	5.3
345.17050	45.3
346.17279	1.8
353.13727	1.5
371.14951	24.9
372.15283	1.9
445.20721	2.7
505.16946	16.5
505.25986	2.8
505.33020	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57742	0.8
55.01867	1.0
56.02615	0.8
57.03439	0.7
59.01382	29.4
61.70853	0.7
61.98832	8.3
67.45776	0.9
69.03446	1.3
69.27497	5.0
71.01015	1.4
71.01384	23.1
72.69050	0.9
72.99282	1.6
73.02949	10.7
75.00839	1.3
83.01389	4.6
83.05053	0.8
85.02960	9.6
87.00854	2.7
88.98801	0.9
89.02450	13.1
89.03957	1.1
89.29041	0.8
90.71365	0.8
93.03431	2.9
95.01372	0.9
97.02940	1.2
99.00867	7.0
101.02444	18.8
105.03439	1.1
111.00861	1.4
113.02452	8.5
115.03989	0.9
119.03468	2.2
119.05011	1.1
125.02437	2.2
131.03487	2.0
133.02977	7.7
135.04529	4.1
137.02390	1.7
149.04529	2.2
161.02463	12.9
161.04544	2.4
163.03957	1.4
173.04517	4.9
175.52589	0.7
177.01924	34.2
177.05513	0.9
178.02176	0.8
179.03477	1.9
191.05609	3.9
211.13322	1.4
255.02892	2.2
283.02206	1.2
284.03180	1.7
285.03778	1.9
299.05469	1.2
304.16891	0.9
343.13962	2.1
343.21069	0.9
373.18503	6.3
373.22736	1.2
391.39386	1.0
505.22787	100.0
506.22867	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	505.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.5
57.03435	3.4
59.01377	61.9
61.27929	1.1
61.98827	12.0
69.03444	3.2
70.13441	2.4
71.01379	73.0
72.01744	1.3
72.99298	2.7
73.02938	24.5
75.00873	1.5
81.03432	1.6
82.95435	1.8
83.01379	8.9
83.05056	2.0
85.02951	28.0
87.00873	5.4
88.98815	2.6
89.02440	42.9
93.03459	7.2
95.01375	4.3
96.96031	1.6
97.02944	4.5
99.00867	15.6
99.04546	1.7
101.02441	46.2
102.02753	1.7
107.01364	1.5
111.00861	1.6
113.02439	23.6
114.98578	1.3
115.04065	1.5
116.92822	6.4
119.03513	7.3
121.02927	2.7
124.42679	1.1
125.02451	8.4
127.04046	1.3
131.03482	7.5
133.01494	1.2
133.02957	4.2
134.03729	2.1
135.04514	7.4
137.02431	3.2
143.03502	4.1
145.02933	1.5
149.04549	18.6
151.00389	2.0
151.03958	1.8
151.11246	1.9
152.11310	1.2
153.05603	6.5
155.03500	1.8
159.02985	4.1
159.04410	1.3
161.02461	10.5
161.04533	14.7
173.04533	4.7
173.06013	1.3
174.04843	1.5
175.03839	1.3
179.03506	3.7
179.05617	3.5
187.03986	5.7
190.92725	1.2
191.05617	30.6
191.07307	1.8
192.05968	4.0
197.06055	1.4
209.11758	1.2
224.60356	1.2
233.06671	3.8
233.49171	1.1
251.07628	1.3
255.02972	6.4
256.03757	2.0
268.03677	1.8
269.04395	1.6
273.07700	2.7
283.02454	6.6
284.03247	23.0
285.03934	12.5
293.08789	3.5
299.05594	33.5
300.06247	1.7
313.16559	6.4
315.18225	2.5
325.03516	5.0
325.10818	3.0
326.03989	2.0
327.16061	1.2
343.21057	1.1
345.17041	8.6
373.22192	8.8
445.20721	100.0
446.20926	3.2
447.22443	3.0
487.17331	1.2
487.25797	3.8
505.09973	5.1
505.17966	2.6
505.26489	55.8
506.26678	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	505.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91160	0.3
59.01382	0.9
59.65863	0.3
78.95902	10.2
81.89585	0.4
85.85616	0.5
94.02591	0.4
96.96991	0.5
105.02666	0.4
152.98325	0.9
152.99580	18.0
154.58717	0.3
171.00613	1.6
227.03279	2.6
233.22627	0.5
245.04282	2.6
259.20926	0.4
277.21719	100.0
278.22095	4.1
427.83121	0.4
484.81982	0.4
505.25714	33.7
506.26111	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	505.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51369	0.4
59.01369	1.4
59.35578	0.5
70.30817	0.9
71.56088	0.4
78.95901	14.6
93.85500	0.4
96.96977	1.0
99.92574	0.5
116.92843	0.6
134.28749	0.4
152.99588	16.7
168.04372	0.9
171.00652	1.9
224.07008	0.5
227.03249	3.0
227.20007	0.6
242.07988	1.9
243.08279	0.9
245.04213	2.2
247.93518	0.5
251.79695	0.4
259.20657	0.5
275.20184	0.6
277.21716	100.0
278.22021	4.7
279.23282	36.4
280.23621	78.1
281.23911	1.4
443.12439	0.4
505.25684	30.6
505.31705	6.8
506.26184	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	505.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02227	1.3
59.01377	3.7
59.12622	1.3
61.98821	1.8
62.04593	1.3
63.49621	1.2
70.04663	1.2
71.01402	1.6
71.46021	1.6
78.95901	33.9
87.42632	1.3
96.96028	2.2
96.96953	3.0
100.36827	1.2
152.99586	54.6
171.00644	2.0
185.11736	1.7
197.11809	4.0
227.03250	5.7
245.04243	3.0
251.32394	1.3
259.20886	1.5
277.21710	100.0
278.22055	5.1
285.03976	2.5
289.18100	5.2
307.19125	6.1
413.21024	1.9
431.22000	3.4
447.09442	2.7
469.33145	3.7
481.86169	1.5
505.25726	72.8
506.26205	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	5.9
57.03450	3.5
58.00579	0.8
59.01381	50.4
68.99817	0.4
69.03455	1.9
69.64639	0.3
69.95071	0.3
71.01383	64.0
72.01742	0.5
72.99313	1.2
73.02947	28.3
75.00881	1.5
81.03471	0.9
83.01384	10.8
85.02952	27.5
86.00137	0.9
87.00874	3.4
89.02447	22.9
95.01395	4.3
97.02950	3.8
99.00884	12.2
99.04507	0.6
99.86974	0.4
101.02447	50.6
101.62377	0.4
102.02790	0.9
108.08881	0.3
108.65138	0.3
111.00910	0.6
113.02452	22.8
115.03998	1.9
119.03502	2.9
125.02449	4.6
127.04051	0.4
129.01985	1.2
131.03505	3.6
133.02971	1.4
135.04518	2.9
136.04845	0.9
137.05034	0.3
143.03497	3.6
149.04564	3.8
159.03014	4.1
161.02542	4.1
161.04562	22.7
162.02818	1.1
162.04910	0.6
171.94785	0.4
179.03578	0.6
179.05548	0.4
181.05173	0.5
191.05650	2.1
191.17177	0.3
211.17142	1.2
223.17062	0.4
233.06656	2.5
241.63589	0.3
253.18103	0.5
274.14835	0.4
293.08762	1.7
323.07693	0.4
324.08282	0.5
343.10446	0.5
355.21378	0.4
373.22311	56.4
374.22635	2.1
447.73624	0.4
461.13577	0.8
505.26682	100.0
506.26959	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	505.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.6
56.02494	0.2
56.99810	0.2
57.03448	4.0
58.00599	0.9
58.42612	0.2
59.01379	64.9
60.01745	0.4
67.01899	0.3
68.99838	0.3
69.03458	2.2
69.14749	0.8
69.15151	0.3
71.01381	68.1
72.01713	0.8
72.99300	2.0
73.02945	19.1
75.00868	0.7
81.03476	1.0
81.31136	0.2
83.01388	10.8
84.02155	0.2
85.02951	23.8
86.00101	0.8
87.00394	0.3
87.00877	3.6
87.04521	0.4
89.02444	37.8
90.02782	0.4
93.03423	0.2
95.01390	2.6
97.02948	3.8
98.03411	0.2
99.00883	5.6
99.04510	0.5
100.01682	0.2
101.02442	52.5
102.02784	0.7
109.02954	0.3
111.00877	6.7
111.04538	0.2
112.01263	0.2
113.02448	20.2
114.02782	0.3
115.04018	1.9
119.03505	2.9
123.00924	0.2
123.04536	0.3
125.02444	5.4
127.04015	0.6
128.01163	0.2
129.01955	1.6
131.03505	19.7
132.03860	0.2
137.02415	0.5
139.04005	0.4
141.01959	0.3
143.03499	4.3
149.04558	13.0
150.04901	0.2
151.04027	0.2
155.03575	0.2
159.02998	2.9
161.02397	0.7
161.04555	16.4
162.04924	0.3
167.03513	0.4
173.04570	0.7
179.05499	0.3
187.06146	0.6
191.05588	2.6
197.04465	0.4
203.05602	0.6
209.15591	0.3
211.16975	1.0
215.05621	1.7
223.17110	0.4
233.06650	6.9
253.18071	0.3
293.08707	2.0
325.20102	0.4
355.21216	2.7
373.22296	41.4
374.22592	2.2
467.24603	0.9
505.26544	100.0
506.26877	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	505.2652
Annotation	Foliasalacioside E3
Peak:m/z	Relative Intensity
55.01882	2.7
57.03454	2.3
59.01377	28.8
61.98821	3.5
64.73309	0.3
69.03444	1.5
71.01376	37.6
72.99284	0.9
73.02941	19.0
75.00858	1.6
80.50041	0.3
80.70844	0.3
81.03457	0.8
81.75460	0.3
82.95366	0.4
83.00911	0.6
83.01385	6.5
85.02947	17.1
86.00092	0.9
87.00877	2.4
89.02442	13.6
90.02752	0.4
93.03455	0.7
95.01386	3.3
96.81949	0.3
96.96000	0.4
97.02930	2.4
99.00872	7.8
99.04530	0.6
101.02438	33.6
102.02747	0.4
102.98630	0.3
111.00880	1.6
113.02446	15.9
114.02757	0.4
115.03986	1.2
117.81871	0.3
119.03484	2.3
125.02450	2.9
129.01917	0.8
131.03485	2.8
133.02939	1.2
135.04512	1.4
135.82759	0.3
137.02377	0.4
143.03500	1.7
145.02957	0.5
146.08244	0.6
146.89433	0.3
146.91119	0.3
149.02429	0.5
149.04544	2.4
151.00333	0.4
155.03499	0.4
159.02971	3.6
159.59018	0.4
161.02493	3.2
161.04547	12.9
170.25418	0.3
173.04588	0.4
177.01883	2.1
179.03423	0.6
187.03864	0.3
191.05586	3.3
192.05885	0.4
195.56853	0.3
233.06648	1.4
255.02904	0.9
277.12326	1.1
283.02325	0.8
283.05084	0.8
285.03995	0.6
293.08838	1.3
307.08017	0.4
345.16971	1.2
355.21265	0.7
373.22275	38.0
374.22754	2.0
424.12814	0.5
445.20300	1.2
487.25455	0.8
505.26547	100.0
506.26834	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	506.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17218	1.3
55.01860	1.8
58.00565	1.4
59.01376	66.3
60.99297	2.3
61.98820	1.6
65.05135	1.3
67.68383	1.2
69.03435	2.4
69.24545	7.6
69.98818	1.5
71.01376	41.2
72.01707	1.7
72.99281	1.6
73.02946	14.3
75.00876	1.7
76.68758	1.2
83.01361	3.5
85.02948	12.3
87.00865	3.9
88.98817	11.0
89.02441	69.1
90.02779	2.6
93.03445	4.9
97.02990	1.8
99.00876	16.1
101.02443	36.0
109.02956	5.4
111.04558	1.5
113.02462	13.9
116.76210	1.3
119.03502	9.6
122.03664	1.5
125.02461	3.9
127.03948	1.4
131.03485	9.1
135.04509	3.2
137.02434	1.4
143.03499	1.9
149.04553	37.6
152.03546	13.4
153.01921	10.0
155.03493	2.8
159.61710	1.6
161.02419	6.4
161.04565	4.2
163.04018	4.8
173.04573	2.7
179.03525	3.9
179.05582	1.9
191.05605	26.7
194.05963	1.7
195.06601	2.0
211.87691	1.7
221.06639	3.2
251.07718	3.6
293.08902	1.5
297.06122	4.9
304.17868	1.5
331.17676	4.0
404.34528	1.6
463.21851	100.0
464.22150	5.7
493.17697	1.5
506.16754	13.3
507.15051	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	506.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	84.6
61.08369	2.3
71.01381	50.7
73.02943	16.8
79.11199	2.6
83.01393	2.9
85.02959	11.1
89.02445	98.6
99.00879	25.1
101.02448	44.1
113.02443	11.7
119.03502	10.0
125.02457	3.6
131.03499	15.1
133.02959	3.2
149.04559	58.6
161.02437	3.1
161.04553	5.5
179.05663	4.8
191.05542	14.6
221.06741	4.6
251.07684	4.4
293.09006	2.6
331.17535	5.8
335.65234	2.4
463.21844	100.0
464.22287	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	507.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30291	0.6
59.01382	17.0
61.98825	2.7
63.44090	0.6
63.45453	0.7
68.99797	1.0
69.03461	1.2
71.01385	9.8
73.02948	2.5
75.00876	1.7
83.01399	1.0
85.02965	3.1
87.00891	1.5
89.02444	9.6
93.03487	0.7
95.01389	1.2
98.21796	1.7
99.00919	1.6
101.02444	7.3
102.98623	1.1
103.01492	1.5
107.04995	0.9
109.02961	0.9
113.02472	3.4
117.03471	1.3
119.03488	3.5
119.04958	0.9
120.99645	1.1
121.02953	8.5
123.04547	1.5
125.02500	0.7
131.03560	1.0
132.02150	0.8
132.04582	1.9
133.02960	34.3
133.05286	1.1
134.03746	2.2
135.04529	28.9
136.04913	0.8
137.02437	1.1
139.03958	1.0
143.03535	0.9
145.02942	2.9
146.03593	0.9
147.04535	1.1
149.04550	1.5
149.06064	1.3
149.76137	0.8
150.03227	32.2
151.04012	3.3
155.03545	2.1
159.04436	1.6
161.02451	100.0
162.02783	3.0
163.04126	0.9
165.05565	9.9
167.07005	0.9
175.04010	1.5
177.04227	0.8
177.05614	3.3
179.03494	16.5
180.03941	0.8
181.05019	0.7
191.05585	3.5
203.03473	1.2
221.04518	4.5
267.06543	0.7
283.04791	0.9
287.07092	0.7
290.23889	0.7
297.11145	1.1
300.10028	1.0
301.11307	0.8
311.09222	1.7
312.10052	4.3
323.07730	33.7
327.12396	5.0
345.10843	5.4
345.15347	2.1
444.15814	1.1
447.10446	0.7
459.12808	1.6
474.15173	3.3
477.17593	5.6
489.18051	9.7
507.15005	68.8
508.14938	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	507.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57773	0.6
57.03444	1.7
58.00595	1.0
59.01379	24.6
62.31145	0.5
67.01889	0.9
68.99810	0.7
69.03455	43.4
69.18257	3.0
71.01382	19.1
73.02947	4.8
75.00853	0.8
75.17525	0.6
81.03442	1.6
85.02945	4.6
87.00875	3.8
89.02443	22.2
93.03470	1.7
95.01377	1.1
95.05026	22.3
97.02975	1.2
99.04520	5.4
101.02450	8.4
107.05020	9.0
109.06588	1.6
113.02448	23.2
119.03503	1.1
123.04510	1.1
124.81606	0.7
125.02429	1.9
125.06143	2.9
131.03529	5.9
133.06577	1.7
135.04517	0.9
149.04553	6.3
151.04007	1.1
151.07652	7.4
161.02423	0.8
161.27135	0.7
169.08714	12.9
191.03906	1.1
191.05630	17.2
195.06577	0.8
213.07687	31.3
214.08136	0.9
440.93161	0.7
507.17145	100.0
508.17468	6.5
519.67780	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
57.03439	1.9
58.02136	0.7
59.01377	22.1
61.98827	4.3
69.03452	31.0
71.01382	15.5
71.35847	0.6
73.02949	4.7
81.03423	1.1
85.03004	1.2
87.00868	2.1
89.02439	20.5
93.03449	0.9
95.05022	13.2
97.02987	0.8
99.00875	8.4
99.04511	4.7
101.02435	7.1
107.05025	6.3
109.06599	1.1
113.02444	15.8
119.03465	0.6
125.02443	1.6
125.06065	2.6
131.03490	2.8
133.02896	1.4
135.04504	1.3
149.04584	4.6
151.07664	5.1
155.58336	0.6
161.02472	5.5
161.04581	1.3
169.08699	7.3
177.01959	1.0
179.03485	1.4
191.05624	3.1
205.53058	0.6
207.10527	0.6
213.07680	15.0
243.19530	0.7
251.16292	0.6
293.08414	0.7
445.13470	3.8
451.22369	0.8
492.15839	0.7
507.17166	100.0
508.17526	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	507.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02335	0.6
57.03455	0.7
59.01381	39.7
69.03456	47.0
69.36023	1.3
69.36411	1.3
71.01380	25.5
73.02950	10.2
81.03455	2.0
83.01393	1.0
85.02932	3.0
87.00846	0.8
89.02446	40.8
95.05025	7.6
97.02953	1.5
99.00882	17.9
99.04509	3.1
99.80992	0.6
101.02447	14.5
102.02718	0.6
105.03437	1.6
107.05019	1.6
113.02448	7.1
113.45342	0.6
115.04029	0.6
118.17965	0.6
119.03488	1.2
121.02921	1.2
121.06599	8.4
125.02469	4.9
125.06061	2.7
126.28458	0.6
131.03484	5.0
135.04507	0.7
139.07628	1.6
139.55040	0.6
143.03531	3.1
149.04559	13.8
151.07648	14.5
161.02420	1.4
161.04564	1.4
169.08698	6.1
177.01888	0.7
191.05629	7.4
195.06644	9.2
213.07684	2.2
221.06679	0.8
233.06683	1.2
251.07758	1.5
293.08777	2.2
357.35321	0.7
507.17178	100.0
508.17468	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	507.1872
Annotation	Clemastanin A
Peak:m/z	Relative Intensity
59.01382	18.6
61.98824	3.1
69.03459	2.1
69.21644	1.7
69.22044	4.1
71.01378	12.7
73.02965	3.0
74.97479	1.0
75.00881	1.2
79.17331	1.0
80.55272	0.9
85.02928	2.9
89.02444	14.2
93.03456	1.1
95.01376	1.3
96.95999	2.5
99.00847	2.5
100.92299	1.2
101.02435	9.7
113.02467	3.9
113.67941	1.1
119.03503	2.9
120.99639	6.5
121.02954	4.2
123.04502	1.1
125.02390	1.2
131.03496	1.3
133.02966	7.6
134.03752	1.8
135.04533	9.5
136.01604	1.0
137.02402	1.2
143.03459	1.1
145.02937	2.9
146.03703	2.3
147.04587	1.2
149.04570	4.5
149.05994	1.6
150.03206	6.1
151.04005	2.6
155.03609	1.3
161.02446	27.1
161.04523	2.3
165.05568	2.2
167.07208	5.9
177.05562	1.4
179.03488	5.1
179.05621	2.1
179.07126	2.5
191.05620	2.4
221.04594	1.4
238.06511	1.3
239.07043	1.3
253.04967	2.4
255.06567	5.7
256.11139	5.4
265.08801	1.7
267.06555	5.5
269.08228	2.9
283.09827	3.8
284.10413	5.3
295.09637	4.9
296.10641	6.6
297.11203	3.8
299.09293	2.9
300.06583	1.5
300.10016	29.5
310.08405	2.3
311.09280	11.5
312.10031	42.8
313.10263	1.9
315.12381	60.0
316.12689	2.5
323.07657	8.5
327.12375	100.0
328.12720	4.2
345.12738	6.0
477.17642	7.2
489.18085	5.1
507.15219	13.7
507.25595	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	507.1872
Annotation	Clemastanin A
Peak:m/z	Relative Intensity
59.01384	12.4
61.98836	1.6
64.93040	0.8
71.01375	7.6
71.43594	0.8
72.72395	0.8
73.02933	2.0
75.00840	0.9
79.62946	0.8
85.02951	2.4
87.00895	0.9
89.02441	8.0
95.01402	1.0
99.00894	1.2
101.02454	6.5
102.98583	0.8
113.02435	2.4
119.03538	1.4
120.99670	4.8
121.02965	2.5
123.04517	1.1
124.50339	0.7
125.02412	0.8
132.80368	0.7
133.02968	4.9
135.04509	4.1
143.03491	1.0
145.02989	4.0
146.03709	1.8
148.05379	0.9
149.04575	2.1
149.06073	1.6
150.03229	2.9
151.03952	1.1
161.02444	15.2
161.04536	1.5
165.05618	1.6
166.06288	0.7
167.07120	3.6
177.27715	0.7
179.03481	1.4
179.05730	0.9
179.07040	1.5
180.04123	0.8
191.05579	1.2
225.05618	1.0
237.05580	1.1
239.07135	2.0
240.04427	0.9
250.06396	1.0
251.07161	1.2
253.05077	2.2
253.08676	1.1
255.06657	4.7
256.11139	5.8
265.08777	1.6
267.06613	4.5
267.10153	1.2
269.08115	5.6
270.08627	1.0
281.18356	0.8
282.08762	1.2
283.09811	4.6
284.10461	5.0
295.09723	5.0
296.10526	10.4
297.11218	4.7
299.09293	2.4
300.10019	26.8
301.10382	1.3
310.08670	1.2
311.09326	8.9
312.10031	38.6
313.10391	2.7
315.12360	59.9
316.12613	2.8
323.07599	3.6
327.12372	100.0
328.12759	5.4
345.13541	5.0
345.15308	3.5
385.84103	0.8
444.16013	1.4
452.80774	0.9
477.17462	7.3
489.17471	3.4
507.18695	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	507.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.6
57.03448	1.8
59.01380	40.3
67.01868	0.7
69.03471	1.1
71.01380	29.2
71.26672	1.3
72.99283	1.2
73.02946	8.3
74.99126	0.8
83.01377	4.3
85.02950	13.5
87.00873	1.8
89.02441	15.6
93.03448	3.0
95.01396	2.1
99.00898	3.7
101.02442	26.8
113.02441	12.1
119.03510	5.7
119.05016	1.6
120.99620	2.2
121.10227	2.1
125.02448	0.9
127.04053	0.7
128.91463	0.7
133.02969	4.4
133.05463	0.8
134.03741	1.0
135.04504	3.3
140.48985	1.0
143.03517	1.5
144.50111	0.8
146.03688	0.9
146.92119	0.9
147.04515	1.5
149.04541	1.0
149.06133	1.3
159.02946	1.3
161.02461	9.9
161.04539	2.4
167.07132	1.2
173.04526	2.8
179.03513	3.1
179.07066	1.0
180.03720	0.9
191.05586	3.1
221.04543	1.4
256.11188	0.9
265.24454	0.8
281.06641	1.9
284.10522	1.0
285.04062	1.8
285.08041	1.8
295.09686	1.5
296.10501	1.3
300.09995	3.0
301.11807	0.8
311.09308	1.1
312.10028	3.9
315.12225	7.3
319.69882	0.8
327.12247	10.3
341.08807	1.3
345.15530	100.0
346.15738	4.1
369.15500	2.7
373.66861	0.7
396.47913	0.8
447.18335	1.6
477.17505	0.8
489.13489	4.7
507.14432	1.8
507.21170	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	507.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
55.94811	0.6
56.12999	0.6
57.03450	1.7
59.01381	59.7
61.98829	1.3
64.09375	0.6
68.68224	0.7
69.03467	1.9
71.01385	41.5
72.01730	0.7
72.99312	0.9
73.02949	11.4
73.82568	0.7
82.81735	0.7
83.01389	6.1
85.02950	11.1
87.00878	2.1
89.02446	26.1
95.01392	2.4
97.02956	2.0
99.00871	3.6
101.02448	26.1
111.00892	2.7
113.02466	12.4
119.03510	1.3
125.02432	3.3
131.03506	13.1
135.04544	0.9
136.98764	0.8
137.02489	0.8
143.03505	1.4
149.04559	8.5
159.03023	1.4
161.02570	0.7
161.04568	10.3
173.04536	1.4
191.05597	2.6
233.06708	1.6
237.02956	0.7
293.08838	1.9
315.18082	12.3
359.16992	0.8
362.48035	0.9
447.22351	100.0
448.22568	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	507.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89946	0.3
59.01381	0.7
61.98830	0.9
63.99461	0.3
70.82159	0.5
71.18856	0.3
78.95908	7.9
82.33314	0.3
96.96973	0.5
107.94427	0.3
108.63793	0.3
152.98328	0.7
152.99588	14.0
171.00639	1.3
227.03276	2.1
245.04356	1.2
261.22226	0.4
279.23294	100.0
280.23621	4.4
281.24911	0.9
282.25198	1.7
326.12390	0.3
507.27249	32.9
508.27524	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	507.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
61.98841	0.9
65.96223	0.4
69.56010	0.4
71.06023	0.8
78.95902	9.0
96.96967	0.7
152.99585	14.2
169.12349	0.8
171.00714	1.2
185.11795	0.5
213.11211	0.8
227.03300	2.8
231.12312	1.2
245.04344	1.8
279.23285	100.0
280.23627	4.5
293.21356	1.0
348.77670	0.6
507.27246	32.7
508.27478	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	507.2806
Annotation	Foliasalacioside H
Peak:m/z	Relative Intensity
51.71078	0.1
55.01878	3.9
57.03446	2.7
58.00604	0.3
59.01378	25.7
59.22044	0.1
67.01861	0.2
68.99825	0.2
69.03453	1.1
69.77405	0.1
69.77726	0.3
71.01379	36.5
72.01705	0.3
72.99304	1.0
73.02944	19.8
74.03281	0.2
75.00868	1.0
81.03472	0.6
83.01385	7.2
83.60308	0.1
84.02151	0.3
85.02948	19.7
85.45103	0.2
86.00092	1.0
87.00871	2.1
87.04481	0.1
89.02444	8.8
93.03473	0.2
95.01384	3.2
95.05034	0.3
97.02946	2.3
99.00880	7.3
99.04526	0.4
101.02443	33.8
102.02806	0.3
109.02940	0.3
111.00893	1.0
111.04553	0.1
113.02448	14.3
115.04002	1.6
119.03508	0.5
125.02444	2.6
129.01985	0.7
131.03497	2.6
133.02951	0.2
135.04555	0.2
139.04059	0.2
141.01978	0.2
143.03503	1.6
149.04550	1.7
150.88171	0.1
159.02982	2.8
161.02420	0.4
161.04552	12.0
173.04642	0.2
179.03671	0.2
179.05492	0.2
191.05602	0.9
192.28584	0.1
211.16995	0.2
213.14067	0.1
213.18620	0.3
215.05669	0.1
233.06668	2.1
248.36646	0.1
255.19653	0.2
293.08823	1.7
375.23853	31.7
376.24133	1.3
419.22971	0.2
465.23184	0.3
507.28058	100.0
508.28403	6.4
525.91119	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	507.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88578	0.2
55.01877	3.2
57.03442	2.8
58.00588	0.5
59.01379	30.4
59.04546	0.2
61.98822	0.4
69.03459	1.0
69.26821	0.8
69.27226	0.5
71.01381	42.0
72.01737	0.4
72.99311	0.7
73.02945	21.1
74.12471	0.2
75.00879	1.2
78.40121	0.2
80.40178	0.2
81.03455	0.5
83.01385	8.0
84.02178	0.2
85.02953	19.1
86.00096	0.7
87.00874	2.5
88.98682	0.3
89.02442	11.5
95.01373	3.1
97.02963	2.1
99.00880	7.6
99.04523	0.3
101.02444	38.8
102.02799	0.5
111.00893	1.0
111.01653	0.2
113.02452	17.0
115.04019	1.1
119.03494	1.8
125.02443	2.7
129.01958	1.0
131.03471	1.9
135.04518	0.7
143.03488	1.9
149.04553	1.4
159.03003	3.0
161.02426	0.8
161.04555	12.4
166.44507	0.2
179.03499	0.7
184.48253	0.2
191.05653	0.7
213.18549	0.4
233.06654	1.5
251.05579	0.3
255.19484	0.4
281.06686	0.5
283.18842	0.3
293.08752	0.9
351.19458	0.3
356.25635	0.2
360.37262	0.3
375.23859	35.5
376.24246	1.7
419.22781	1.1
456.47464	0.3
507.28082	100.0
508.28333	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	507.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08351	4.5
53.60828	4.6
59.01414	6.0
61.98818	33.5
69.59548	9.5
69.59929	11.1
71.58550	4.6
78.95890	14.5
125.69611	4.5
152.99623	28.0
153.99892	6.3
155.00050	10.3
253.61864	5.2
277.21756	61.0
278.22083	55.1
279.22348	100.0
471.34787	69.1
507.26297	75.9
507.33041	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	507.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.5
61.98829	100.0
71.43816	0.4
78.95921	2.3
86.29443	0.4
88.50492	0.4
104.58302	0.3
115.07673	0.5
152.99606	3.3
177.96230	0.5
193.69200	0.5
279.23306	9.0
279.26236	0.6
282.25418	0.5
338.57211	0.4
355.23190	0.4
424.36148	0.4
507.26907	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	507.3323
Annotation	Lemmasterone
Peak:m/z	Relative Intensity
53.37023	1.0
57.03436	2.3
59.01370	1.2
61.98831	10.4
75.37249	1.0
83.61385	0.9
91.92106	0.9
105.48159	0.9
110.63296	0.9
127.11283	2.1
137.09709	1.9
149.06082	2.4
150.06851	14.3
162.06862	53.0
163.07669	11.7
171.10321	1.3
173.06070	1.3
176.08417	10.0
177.09209	25.4
178.09578	1.0
188.63104	0.9
206.93842	0.9
265.21783	5.4
283.22812	3.2
287.20206	2.7
304.07037	1.0
329.23306	39.1
330.23578	1.2
428.29285	6.4
443.31693	6.4
466.33517	0.9
489.32272	30.5
489.39429	1.6
490.32483	2.8
503.76135	1.1
507.33249	100.0
508.33560	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	507.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.9
57.03447	4.2
59.01377	35.3
61.79251	0.5
61.98589	0.4
61.98832	5.0
68.99789	0.5
69.03445	1.1
71.01381	49.0
71.44042	0.6
72.99301	0.8
73.02944	16.8
74.58524	0.5
75.00863	1.5
78.95896	0.6
81.03468	0.8
83.01390	7.1
85.02949	24.0
85.31816	0.4
86.00091	1.0
86.03380	0.4
87.00874	2.4
89.02443	10.8
93.03467	0.9
95.01397	3.8
97.02965	1.3
99.00882	5.3
101.02441	32.0
103.30128	0.4
109.02955	0.6
111.00865	2.6
112.00963	0.4
113.02444	19.2
119.03489	3.0
125.02445	1.7
129.01930	1.4
133.02960	1.2
134.03728	1.0
135.04529	2.6
137.02435	0.7
138.85361	0.5
141.01860	0.5
143.03494	1.8
149.04485	0.5
159.02971	4.6
161.02530	3.2
161.04547	16.1
173.04597	0.7
177.01982	1.0
179.01794	0.5
179.03474	1.7
179.05563	0.6
191.05557	2.3
209.11768	1.3
211.13371	0.5
221.04585	0.5
224.96915	0.5
227.12874	0.5
233.73415	0.5
281.51349	0.5
299.25974	1.7
328.12793	0.5
345.16937	0.7
345.30106	7.8
346.30536	0.5
405.26962	0.5
447.26184	0.6
463.20731	0.5
507.35416	100.0
508.35895	5.7
519.17017	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48389	0.5
59.01385	10.4
61.05685	0.6
61.60794	0.6
61.98831	54.0
69.03457	7.8
69.27366	3.3
70.03775	1.3
71.01382	7.9
72.01711	0.9
73.02930	2.0
83.01403	0.6
85.02943	2.0
87.00883	0.9
88.38913	0.6
89.02451	9.0
90.02779	0.7
93.03458	0.7
95.05023	3.8
96.05347	1.2
99.00842	2.7
99.04477	1.5
101.02449	5.8
103.75732	0.6
107.04991	2.0
107.08456	0.6
109.02932	1.0
113.02470	5.7
114.02715	0.9
115.16360	0.7
119.03473	1.1
120.99619	1.3
121.05035	1.9
131.03433	0.7
133.02965	12.4
134.03703	2.2
135.04532	48.0
136.04858	1.3
137.02402	0.7
146.40550	0.6
149.04498	1.2
151.07651	0.9
161.02449	57.5
161.04521	1.6
162.02747	2.0
169.08748	1.5
170.09073	0.7
177.01846	0.9
177.05579	1.4
179.03506	36.8
180.03847	1.2
184.19063	0.7
191.05553	1.1
213.07658	1.8
214.08000	2.4
221.04523	3.1
265.07248	0.8
281.06580	1.0
311.07596	2.1
445.13513	100.0
446.13757	4.7
465.65759	0.6
473.12799	3.6
507.17392	1.5
508.17490	26.9
509.17892	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
59.01390	2.2
61.98831	9.7
62.21972	0.7
69.03459	1.0
70.09860	1.7
71.01376	1.0
73.24905	0.7
76.17852	0.8
78.95905	20.7
83.05035	1.1
99.08150	1.8
113.09734	2.9
125.09731	1.0
127.11250	1.0
129.09241	4.2
133.47957	0.8
137.09779	0.8
139.11317	3.2
140.01184	5.5
152.99567	1.8
153.12880	0.8
163.11349	0.9
165.12827	1.0
167.10826	0.8
167.14413	0.9
169.12399	1.8
171.00601	1.3
171.10289	9.6
175.11237	0.7
181.12323	3.5
183.12540	0.9
183.13968	3.4
185.11821	1.2
193.12363	5.4
196.03796	2.6
197.11829	6.6
199.13411	3.0
209.11766	1.2
211.13406	13.2
214.04869	7.2
249.22255	1.6
265.21500	0.9
275.20215	1.2
290.67914	0.8
293.21231	18.0
294.22046	0.8
311.22275	100.0
312.22629	4.8
338.45041	1.0
395.05200	0.8
508.26785	65.0
509.26987	3.1
521.69275	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.4
59.01382	2.1
61.98826	16.5
63.55972	0.9
78.95903	18.2
79.88364	0.7
93.03498	1.0
99.08150	2.5
111.08127	0.8
113.09717	3.6
117.19576	0.7
129.09232	5.4
140.01204	5.4
147.69641	0.8
151.11243	1.1
152.99568	3.1
153.12770	1.1
155.10785	0.9
169.12303	3.7
171.00684	1.0
171.09987	0.9
181.12384	5.7
183.13876	2.6
191.05595	1.0
193.12326	1.8
196.03745	2.7
197.11853	13.4
199.13396	7.3
209.11812	3.0
210.12227	1.9
211.13409	17.8
214.04837	5.4
221.61142	0.8
255.02670	0.8
265.21588	1.0
274.63770	0.9
275.20154	1.6
288.45453	0.7
289.47998	0.9
293.21198	13.5
311.22278	100.0
312.22659	3.4
425.42654	0.9
436.33038	0.8
508.26791	57.6
509.27200	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	508.268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55962	0.8
57.03443	4.4
59.01378	2.4
61.98829	13.8
69.32450	3.5
71.02491	0.8
73.91582	0.7
78.95904	19.5
89.74868	0.9
96.96995	1.6
97.06580	0.9
106.29765	0.7
109.06550	0.9
113.09728	14.5
139.11319	1.3
140.01178	6.8
149.09674	1.2
152.99606	3.9
167.10732	2.3
171.00699	1.1
177.12848	0.9
179.10722	1.5
179.14423	1.4
185.82640	0.8
195.13892	10.1
196.03824	4.3
205.12344	3.4
214.04912	9.1
223.13385	19.3
249.22273	1.7
293.21225	100.0
294.21484	3.6
300.02631	0.8
311.22083	0.9
392.18329	1.1
420.17874	7.5
455.22479	1.0
490.25861	1.8
508.26917	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	508.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.28871	1.2
71.21233	1.3
78.95897	2.9
81.23017	1.1
133.92482	1.4
141.89514	1.4
152.99580	3.3
236.30692	1.4
245.04350	1.4
255.23311	3.2
281.24817	5.5
482.10010	1.5
508.23236	1.3
509.28802	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	509.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	5.0
60.04351	1.1
61.98834	7.7
69.03439	1.7
69.72935	4.1
71.01372	3.3
73.02946	1.6
75.75060	1.2
84.95105	1.4
89.02432	1.3
98.22556	1.8
99.00856	1.2
101.02421	2.0
107.48846	1.1
109.02967	16.7
111.00880	6.6
119.03447	1.2
121.02895	1.2
133.02985	2.2
135.04526	20.0
137.06062	1.5
143.04993	3.4
147.04460	2.7
148.05336	1.9
149.06081	15.9
151.03964	1.7
159.04485	4.3
160.05241	1.5
161.02400	3.7
161.06104	10.1
162.03125	3.1
163.03992	3.8
163.07632	1.4
164.04774	2.8
165.05533	4.8
167.03320	1.1
171.04530	4.4
174.03207	3.0
175.03960	2.7
177.02051	1.9
177.05563	67.4
179.03502	3.7
181.05099	1.6
188.04776	3.4
189.05565	100.0
190.05885	3.0
201.05444	2.5
203.03517	1.9
207.06635	16.4
219.06580	2.6
221.04530	46.8
222.04781	1.4
231.06564	4.0
234.99135	1.7
239.05647	2.3
249.07623	4.5
251.05598	1.2
267.08704	7.2
277.00333	3.6
297.87823	1.1
311.07700	66.1
312.07965	2.4
341.08865	1.5
351.10873	9.2
383.09814	2.1
395.09836	6.3
413.10834	5.0
443.11856	1.9
446.13620	1.7
455.11832	2.5
473.12985	90.2
474.13083	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	509.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74844	1.2
59.01377	29.5
61.98829	46.4
69.03455	3.4
71.01382	31.6
73.02949	13.8
75.00874	2.7
83.01397	4.5
85.02956	14.4
86.53461	1.5
87.00883	2.4
89.02457	15.4
91.00562	1.4
93.03452	1.9
95.01392	3.7
96.96012	6.5
97.02972	3.5
98.95628	2.2
99.00900	8.5
99.92594	1.9
101.02453	23.2
113.02435	13.6
115.92141	1.7
116.92891	12.4
119.03489	3.4
125.02466	2.8
131.03447	2.1
133.02954	2.4
135.04503	7.3
139.18172	1.4
143.03551	1.9
149.04552	4.1
153.05547	1.8
159.02968	1.6
161.04546	14.7
174.92261	1.5
175.02487	1.7
175.48184	1.4
177.05588	5.1
179.03522	6.5
191.05563	3.7
217.92075	1.3
221.04538	6.3
233.06715	2.6
277.00272	5.3
293.08698	2.4
311.07770	5.2
317.12427	9.4
344.55801	1.6
449.16641	100.0
450.16925	4.0
473.12958	11.0
509.18155	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	509.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
59.01381	6.1
61.98811	1.2
70.22588	0.5
71.01392	4.6
72.99303	0.5
73.02937	1.0
79.95726	1.0
80.96090	0.6
80.96517	6.7
83.01382	0.6
84.94917	0.5
85.02962	2.2
87.00864	0.9
88.98797	0.8
89.02450	2.7
93.03450	1.1
94.98067	1.5
99.00827	0.8
101.02444	4.4
105.03399	0.7
113.02443	2.0
117.03464	2.0
119.03515	0.8
119.08637	0.5
121.02967	0.5
122.97519	0.7
123.04526	1.1
125.02480	0.6
132.02164	1.6
133.02960	27.1
134.03723	1.4
134.97583	0.6
135.04526	11.8
137.02449	3.3
137.09712	1.8
141.74257	0.5
145.02922	1.0
149.04578	0.5
149.06120	0.6
152.98596	1.0
161.02449	100.0
162.02771	2.5
163.02827	0.6
163.04048	0.5
164.98618	1.4
167.03514	0.4
173.04550	1.4
177.01920	0.9
177.05582	1.3
179.03514	11.0
191.05606	2.2
200.88576	0.5
208.60843	0.5
219.26343	0.5
221.04582	2.8
225.00751	2.0
241.21597	0.5
251.05716	2.0
273.17282	0.4
281.06665	3.3
284.03299	2.9
285.03992	6.2
341.08710	1.1
347.24533	0.6
447.09436	5.2
509.20544	76.7
509.29788	5.6
510.20694	4.8
522.91663	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.0
56.36829	0.5
57.03428	1.4
59.01375	28.9
61.98833	3.1
69.03442	0.7
69.20071	2.6
71.01378	24.3
71.01775	1.2
72.99316	0.7
73.02936	8.7
75.00867	1.8
83.01376	5.6
85.02944	12.0
86.00089	1.1
87.00870	2.4
89.02438	9.4
95.01383	1.7
97.02960	1.0
99.00872	2.9
101.02435	23.8
109.02949	0.6
111.00897	1.0
113.02454	10.4
119.03511	2.9
121.02939	0.9
123.04564	0.7
125.02431	1.3
131.03485	1.3
133.02931	2.4
134.03769	0.9
135.04533	2.9
135.05394	0.5
143.03467	0.8
149.04555	1.7
152.04782	0.8
159.02986	1.2
161.02440	6.1
161.04483	2.7
162.02812	1.3
164.04771	0.6
179.03519	1.6
179.05640	3.2
185.11832	2.0
191.05655	1.3
192.06152	0.5
195.06541	0.6
214.14116	0.5
221.06519	0.6
281.06763	0.6
329.16083	1.3
341.08652	1.4
347.17084	100.0
348.17401	2.6
389.17938	1.1
407.63132	0.5
439.23840	0.6
449.20059	1.9
449.24945	0.8
463.21671	3.2
486.95401	0.5
508.30804	0.8
509.16110	3.0
509.22406	8.6
509.30252	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	509.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41055	2.2
78.95908	9.0
96.96986	0.9
117.48479	0.4
152.99600	15.2
164.45963	0.5
171.00620	1.3
176.01697	0.5
227.03276	2.2
245.04346	1.7
281.24863	100.0
282.25171	2.6
414.72925	0.5
509.28857	30.4
510.29074	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	510.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43716	0.4
59.01361	0.8
61.98822	7.1
69.37082	2.6
70.72269	0.5
72.29111	0.5
72.63281	0.5
98.21821	1.0
98.27686	0.5
102.37788	0.5
107.01374	0.7
111.27012	0.4
131.82784	0.5
133.02948	1.7
151.00377	2.8
161.02528	0.7
175.04051	1.1
179.05811	0.5
184.05191	0.5
199.04041	1.2
227.03497	0.9
255.03018	0.7
256.03766	1.3
284.03265	39.7
285.04022	77.4
286.04431	4.1
288.86862	0.5
327.05078	1.1
346.50772	0.6
447.09299	100.0
448.09616	5.2
451.33096	0.7
475.78903	0.6
509.36575	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30806	1.5
59.01107	2.6
59.01379	28.0
61.98829	26.1
67.04733	1.6
68.99803	6.0
69.21755	10.0
71.01375	18.9
72.09749	1.5
73.02950	2.0
79.95786	1.6
80.96564	1.6
83.01350	1.5
85.02937	4.1
89.02450	22.9
93.03494	2.1
96.39851	1.6
98.22645	2.3
101.02436	14.1
113.02454	7.8
119.03503	8.2
123.08139	6.1
125.02448	2.3
133.02940	4.4
134.03703	1.8
143.03468	2.2
149.02438	1.6
151.00359	2.6
161.02419	3.0
161.04529	2.3
161.83467	1.5
179.03542	3.2
179.05515	3.3
181.05074	2.3
191.05591	2.6
203.10849	1.9
217.06625	13.6
235.09683	3.9
279.64938	1.6
284.03265	48.5
285.04041	99.1
286.04443	3.8
287.13068	2.3
342.23639	2.1
447.09302	100.0
448.09558	6.1
509.06696	1.6
509.36133	5.6
510.17743	2.1
510.35846	3.0
511.21674	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	510.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36114	0.1
59.01376	0.3
61.98830	100.0
69.28023	0.7
71.01405	0.2
84.78744	0.1
89.02449	0.2
110.26411	0.1
129.29460	0.1
134.37753	0.1
248.97165	0.1
274.45663	0.1
284.03284	0.3
285.04141	0.7
311.87653	0.1
447.09543	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	0.2
61.98830	100.0
63.28927	0.2
69.17026	0.2
71.01389	0.4
75.30464	0.2
75.99948	0.2
80.16409	0.2
85.02970	0.3
101.02525	0.2
105.33569	0.2
110.15582	0.2
133.02983	0.5
135.04498	0.2
142.52954	0.2
149.90286	0.2
161.02451	1.0
191.05681	0.5
279.62796	0.2
284.03305	2.5
285.04037	5.2
303.27994	0.2
395.45605	0.2
447.09311	5.4
448.10199	0.5
510.26010	0.3
511.22208	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42454	0.3
59.01383	0.9
61.98831	100.0
62.99899	0.2
70.53206	0.4
71.01386	0.5
81.65955	0.3
85.02964	0.3
87.00906	0.3
89.02453	0.3
101.02465	0.6
120.90496	0.3
133.03020	0.4
135.04578	0.4
150.10173	0.2
157.96152	0.2
161.02473	0.9
178.51665	0.2
179.03581	0.3
191.05713	0.5
200.67546	0.3
219.18938	0.3
243.31201	0.2
284.03284	2.5
285.04028	5.4
301.12106	0.3
416.16183	0.3
447.09302	5.4
449.22678	0.4
450.23523	0.7
451.05606	0.3
451.21719	0.4
508.43341	0.3
511.21783	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.2
56.31361	1.1
57.03447	2.0
59.01381	26.3
61.98831	19.8
69.03467	1.2
71.01379	26.9
73.02948	14.5
75.00879	1.1
83.01401	4.2
85.02950	12.9
87.00866	2.6
89.02435	9.1
93.03484	1.8
95.01412	2.1
97.02950	2.0
99.00896	6.1
101.02443	29.3
105.03477	2.5
107.01454	1.3
109.02941	1.3
111.00882	1.5
113.02459	11.0
119.05058	1.1
123.04538	2.1
125.02496	1.8
133.02962	25.8
134.03320	2.2
135.04538	8.7
136.04829	1.3
137.02426	1.7
141.01923	1.2
143.03535	2.2
149.02397	1.5
151.00365	2.4
155.58961	1.2
159.03008	2.9
161.02448	49.0
161.04430	7.9
162.02797	6.4
173.04597	2.3
175.03903	1.3
177.01965	4.7
179.03535	7.3
180.03891	2.1
191.05566	4.2
194.05278	1.2
233.06886	1.5
256.03809	1.8
282.07193	1.1
284.03278	33.3
285.04041	69.3
286.04544	3.1
305.04419	1.6
335.20737	27.2
353.08603	1.5
447.09085	69.6
448.09598	4.3
467.24930	100.0
468.25333	5.3
501.63431	1.3
510.20645	10.9
510.30048	12.7
511.21918	20.7
511.29242	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
59.01381	40.5
61.98827	10.9
63.38578	1.0
67.01894	2.1
68.99820	3.1
69.03454	5.8
71.01382	23.4
72.99303	4.5
73.02959	6.1
79.95735	19.8
80.96519	8.1
81.03432	1.8
82.00485	1.1
83.01381	2.8
84.26997	1.2
85.02957	6.6
87.00881	2.7
89.02440	30.9
93.03455	11.6
94.98054	1.2
95.01382	1.6
95.03867	1.0
95.05029	2.2
96.96020	7.9
97.02952	3.6
99.00880	9.3
99.04532	1.6
100.52347	1.1
101.02454	19.2
105.03450	2.0
107.05038	5.1
108.00410	3.3
108.02172	2.2
109.01144	1.4
109.02965	1.6
110.97566	3.3
113.02442	5.0
117.03476	1.3
119.03559	3.7
119.05026	100.0
119.93611	1.1
120.02188	1.7
120.05402	1.3
121.02969	14.5
121.06615	1.3
122.03718	1.3
123.00919	5.6
123.01639	1.0
123.04539	2.7
124.01675	11.1
125.02447	37.0
131.03471	4.8
133.02968	27.2
134.03806	7.8
135.04530	46.8
136.01657	1.4
136.04903	2.4
137.02437	9.8
139.04041	1.6
143.03534	2.3
145.02980	1.1
145.06583	1.3
147.04529	1.5
148.01646	16.0
148.99107	1.6
149.02464	6.9
149.04561	19.6
149.99599	12.4
151.00389	2.5
151.03975	2.1
151.99377	3.6
153.00139	1.6
153.09131	1.6
155.03491	1.5
161.02444	53.2
161.04497	2.3
161.06015	1.6
162.02789	2.7
163.02672	2.1
163.04019	31.5
164.98662	1.4
165.01971	6.6
167.03497	2.2
168.00641	29.5
169.01492	2.0
173.04619	2.6
173.06073	5.2
175.03972	2.9
177.01939	16.4
178.02582	1.9
179.03493	15.9
181.05070	81.1
182.05295	1.4
188.04945	1.3
189.05569	3.5
191.05624	12.0
191.07149	1.8
199.00711	35.7
199.05699	1.2
211.13399	1.4
215.00194	21.5
217.05107	8.0
221.04466	1.7
221.06613	2.6
225.00827	2.1
242.34634	1.2
242.99730	5.5
243.04796	10.5
251.07828	1.3
253.04657	2.8
261.00766	1.9
261.05957	1.3
275.56906	1.1
284.03217	2.7
285.03891	16.2
286.04379	13.4
293.08801	4.2
296.05984	1.5
303.08752	1.8
329.06610	3.9
329.10223	2.3
330.07465	2.5
331.06601	1.4
331.11957	2.4
334.15231	9.3
334.65656	1.6
361.09180	9.0
375.22055	2.9
399.10870	18.2
409.02167	3.5
427.03201	3.3
442.05792	1.6
448.09726	21.7
450.27420	1.5
451.22336	1.7
451.28342	1.8
479.06549	72.0
480.06915	3.1
510.35495	1.3
511.14578	49.4
511.21652	42.1
512.14880	2.7
537.26953	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	511.1452
Annotation	CHEBI:67505
Peak:m/z	Relative Intensity
52.21164	0.4
56.31383	0.4
59.01377	12.9
61.98828	1.1
68.99794	0.4
69.44096	1.0
69.44482	1.0
71.01379	9.4
72.01730	0.6
73.02959	2.2
74.56792	0.5
75.00895	0.5
78.91892	0.6
81.03468	1.1
82.01253	0.4
83.01387	1.6
85.02956	3.8
87.00872	1.7
88.98781	0.6
89.02440	5.8
91.01898	1.2
93.03477	1.4
95.01376	1.0
97.02956	0.6
99.00863	0.9
101.02439	6.6
105.01920	0.5
107.01393	1.5
108.02167	4.6
109.02956	48.6
110.03291	0.9
111.00903	0.6
113.02457	4.2
119.03514	1.4
121.02937	1.0
122.03734	3.9
123.00903	0.8
123.04548	2.0
124.01679	0.9
124.69190	0.4
125.02444	0.8
126.33877	0.4
132.60025	0.4
133.02966	1.8
135.00882	1.4
135.04518	3.5
137.02437	1.5
143.03493	0.6
149.02458	1.0
149.04620	0.4
150.03229	32.5
150.21408	0.5
151.00433	0.5
151.04021	6.5
152.01147	2.6
153.01939	84.4
154.02301	1.3
161.02463	4.5
161.04588	1.1
163.04091	0.6
165.05566	33.6
167.03528	1.3
167.07143	0.6
174.39290	0.5
177.01886	1.2
177.05563	0.8
178.94537	0.5
179.03517	3.8
179.05641	0.7
191.05664	0.6
193.04942	0.5
195.02985	2.3
221.04546	1.8
225.04131	1.1
237.04057	0.7
251.05623	0.6
281.06635	1.6
288.65158	0.5
289.13135	0.5
292.27036	0.5
297.06146	40.9
298.06506	1.7
299.33664	0.5
311.07791	1.3
341.08835	2.4
349.18710	0.7
383.09781	0.7
413.10806	0.6
432.04077	0.5
451.18008	2.0
465.19803	1.1
473.12686	0.6
475.14273	0.7
511.14542	100.0
511.23114	5.2
512.14844	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	511.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19245	0.8
51.84645	0.6
52.82727	0.8
54.56861	0.8
55.01872	1.2
57.03448	0.7
59.01378	25.5
60.99328	0.8
61.98825	6.1
65.00359	1.1
68.50177	0.7
69.03460	8.7
71.01382	18.6
71.45121	0.9
73.02944	6.9
75.48745	0.7
77.03960	2.6
81.03458	0.9
83.01385	1.4
85.02949	5.0
87.00874	1.8
89.02444	20.9
89.03969	1.4
91.01868	1.5
93.03465	3.5
95.01357	0.9
95.05037	5.7
97.02941	1.2
99.00888	5.4
101.02448	18.8
102.98604	0.8
105.03457	17.1
105.04167	0.8
107.05048	1.1
108.02171	1.6
109.02952	59.8
110.03271	1.0
111.22041	0.7
113.02450	6.8
117.03455	1.3
119.03512	3.6
121.02946	3.1
121.06609	1.2
123.04565	4.7
125.02435	1.6
131.01405	2.7
131.03519	3.2
132.02193	2.4
133.02959	100.0
134.03445	1.4
135.04524	11.2
137.02454	3.2
147.04544	1.0
149.02536	3.9
149.04558	10.5
151.04033	2.2
151.07709	1.8
152.87132	0.8
153.01938	95.8
154.02274	2.1
155.03499	1.5
161.02444	91.4
161.04605	2.3
162.02835	1.8
173.04552	2.2
175.00417	0.9
175.04002	2.4
177.01929	30.6
178.02304	1.3
179.03470	7.0
179.05702	0.8
191.05606	6.4
197.04524	1.0
203.03522	2.4
227.07162	1.6
235.06154	2.0
247.02644	1.3
251.07776	1.0
253.04907	0.8
257.04114	1.3
271.06171	2.1
279.05029	1.3
284.03281	7.0
285.03833	27.4
286.04370	34.2
286.07556	1.9
287.04605	1.2
289.07159	1.3
305.04462	1.0
305.10135	3.9
333.06085	3.1
333.19260	3.3
335.07608	1.2
349.05289	1.3
349.09341	0.9
349.14987	1.2
351.06915	2.0
375.12918	5.4
447.09225	1.2
448.09631	45.0
449.09851	2.9
451.21875	3.0
465.23410	23.0
465.30087	1.1
466.24039	0.9
475.12387	1.5
511.14719	18.2
511.21851	59.5
512.15393	1.0
512.22223	2.9
528.85010	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27614	0.5
58.00009	0.5
59.01373	6.2
61.98824	2.7
65.90665	0.5
70.39708	0.5
71.01383	4.7
73.02930	1.0
73.48636	0.5
85.02933	1.6
89.02439	4.1
96.96018	1.0
99.00908	1.1
101.02429	2.6
101.72680	0.5
113.02447	1.6
116.92813	0.6
119.03506	1.0
121.02988	0.6
125.02468	0.6
133.02924	1.5
134.03752	0.6
135.04527	6.6
136.01675	4.6
137.02406	1.3
140.07162	1.2
143.04784	0.4
149.02414	1.1
150.03261	0.5
151.04019	4.6
152.01143	0.6
153.01883	0.7
161.02458	4.5
161.04562	0.5
164.04802	0.9
165.05673	0.6
166.02666	0.7
167.03427	0.8
172.05296	0.9
177.05516	0.5
179.03497	6.2
179.05003	0.8
179.05644	0.7
179.07129	0.6
180.89708	0.5
181.05042	1.0
184.97720	1.1
187.03778	0.9
191.05647	2.6
199.04102	1.3
200.04787	2.8
210.03296	1.0
211.03903	1.1
216.98265	0.9
221.04510	1.3
225.05630	0.6
226.71271	0.5
227.03493	1.5
228.04297	7.1
234.99167	1.2
239.03558	1.1
243.06619	2.9
253.05124	0.6
256.03748	11.3
262.22665	0.5
263.48401	0.5
271.06113	57.0
272.06427	1.9
281.06781	0.5
286.08463	43.9
287.08786	1.5
289.02423	2.0
301.10818	100.0
302.11063	3.7
311.07761	0.8
321.22803	0.6
349.12918	30.8
350.13208	1.2
391.03604	0.7
451.05542	5.6
465.19629	1.8
473.13068	1.4
475.14511	3.8
511.12573	1.0
511.24588	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
59.01381	8.5
61.98820	1.0
69.03445	0.8
71.01377	5.8
71.27978	0.4
73.02949	2.0
77.03976	1.2
79.05515	0.6
81.03447	0.7
82.95411	0.4
84.95100	0.8
85.02944	2.8
87.00870	0.8
89.02428	4.3
89.03989	0.5
93.03452	3.8
95.05029	2.1
95.08662	8.9
97.03012	0.6
99.00872	0.5
101.02441	5.6
105.03454	7.9
109.02960	2.3
113.02437	2.2
119.03514	1.1
121.02938	1.4
123.04543	2.1
124.70954	0.6
125.02465	1.2
131.01408	2.0
131.03529	0.6
132.02170	1.5
133.02954	59.6
134.03830	2.5
135.04518	25.4
136.04814	0.7
137.02386	2.8
143.03453	0.6
145.03021	0.9
147.00812	0.8
147.04480	0.8
148.05241	1.1
149.02443	2.1
149.06085	4.3
149.99486	0.5
150.03282	0.6
151.04059	0.7
155.03476	0.6
161.02441	100.0
162.02844	2.6
163.04044	0.6
168.00667	1.0
169.08691	12.4
173.04510	2.9
175.00441	0.4
175.04012	1.0
177.01933	13.6
177.05524	7.4
178.05994	0.7
179.03496	29.9
191.05644	1.6
197.04532	0.6
203.03528	2.1
221.04543	12.6
221.06749	0.8
247.02359	0.5
251.05573	8.5
281.06656	15.8
284.03116	0.6
285.03714	3.3
286.04352	5.5
341.08765	9.3
349.05579	1.9
349.15100	8.2
351.07217	1.3
353.08643	1.6
448.09686	7.4
449.09946	0.6
451.21939	1.5
465.23352	6.5
467.39374	0.5
477.58163	0.5
493.17166	1.1
511.18173	45.2
512.18585	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	511.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.4
61.98827	0.4
63.96235	0.5
69.03457	0.6
69.36207	1.1
69.36600	0.5
71.01382	5.5
73.02937	1.5
78.98585	5.6
79.95736	7.2
80.96516	54.1
81.03452	0.5
85.02941	2.5
87.00883	2.0
87.04558	0.3
89.28250	0.3
94.97479	0.7
94.98085	12.6
96.96003	0.5
97.02960	1.6
99.00900	0.6
101.02446	2.9
104.02055	0.3
106.98077	2.2
106.98714	0.3
107.28137	0.3
119.05011	0.6
122.97580	4.5
125.02464	2.9
127.04011	0.8
133.02951	0.4
134.97588	3.8
135.04482	0.6
136.99159	0.9
148.99155	5.3
152.98636	5.9
152.99844	0.4
161.02438	1.1
164.98627	10.7
179.03592	0.4
182.99689	2.3
183.13991	0.6
206.99672	3.4
211.13362	3.9
225.00743	17.7
243.01726	1.5
284.95633	0.4
299.04312	2.1
314.23166	0.3
324.82318	0.4
511.18506	100.0
512.18811	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	511.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76340	0.5
54.22557	0.5
55.01874	1.0
57.03438	0.7
59.01379	16.2
61.98822	0.6
63.89660	0.4
68.99812	0.7
69.03459	0.8
71.01007	0.9
71.01382	12.3
73.02943	4.4
75.00880	1.2
83.01371	1.9
85.02943	4.9
86.03268	0.5
87.00880	0.9
89.01920	1.0
89.02441	10.7
90.55997	0.4
95.01415	1.0
97.02908	0.7
98.22705	1.1
99.00898	3.1
99.92567	1.2
101.02440	11.6
105.03439	1.3
107.05006	0.7
112.61006	0.5
113.02448	5.0
115.01949	0.4
116.92864	7.0
117.03467	0.8
119.03512	1.1
120.36558	0.5
125.02468	0.7
131.03465	1.7
132.02153	1.4
133.02959	32.2
134.03700	1.0
135.04527	8.3
141.49890	0.6
143.03450	0.6
145.02986	0.5
149.04570	4.7
159.03065	0.8
161.02441	100.0
162.02762	1.9
174.89078	0.5
177.01895	0.9
179.03523	4.8
187.13268	0.5
191.05524	2.4
294.01807	0.6
316.44290	0.5
319.02634	0.7
319.17581	4.6
347.17090	0.5
349.11426	0.7
451.21564	20.7
452.21982	1.2
511.21945	71.5
512.22632	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	511.3425
Annotation	11-OXOURSOLIC ACID ACETATE
Peak:m/z	Relative Intensity
55.14578	0.7
59.01379	20.9
60.25460	0.8
61.98829	1.7
67.57262	0.7
69.23463	1.9
69.23849	1.3
75.29635	0.8
79.63970	0.6
97.09870	0.8
98.21836	1.5
133.02943	0.8
139.06697	0.6
149.74294	0.7
188.23145	0.8
284.03381	1.2
285.03763	3.0
285.55542	0.8
286.04449	4.3
335.58734	0.7
389.28683	1.1
405.31607	17.0
405.36691	1.1
406.31717	1.0
435.29050	1.2
439.32407	1.2
448.09540	5.1
449.30557	2.3
451.31790	1.6
453.33798	1.6
465.33722	62.1
466.34250	4.3
467.35034	1.6
491.94284	0.7
511.34320	100.0
512.34625	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	513.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54420	0.4
57.03443	0.9
59.01375	5.6
61.98798	0.6
62.67402	0.5
67.01887	2.6
69.03443	1.2
71.01383	4.7
71.60836	0.4
73.02940	1.1
73.82546	0.5
77.03973	1.3
81.03445	1.2
81.21761	0.4
83.05029	0.9
85.02940	2.5
87.00880	1.7
89.02435	1.6
89.03958	1.0
93.03450	19.4
95.05027	2.8
96.95997	0.9
99.00892	0.7
101.02425	2.4
105.03458	9.8
107.05029	0.9
109.02956	2.4
111.00890	0.7
111.04528	4.2
113.02416	1.4
119.03519	0.8
121.02979	1.4
123.04525	5.6
125.02438	0.7
127.04029	0.6
132.02171	0.6
133.02951	62.2
134.03357	1.6
135.03482	1.1
135.04510	14.4
136.04893	0.6
137.02448	5.1
149.02455	1.4
150.03230	3.7
151.03984	1.8
152.01123	0.9
155.03510	4.4
157.05034	1.6
161.02431	12.8
161.04518	0.6
162.02780	2.3
163.02946	1.6
167.03508	1.1
169.08775	0.7
173.04543	100.0
174.04910	1.5
177.01923	29.5
178.02397	0.7
179.03496	8.9
179.64827	0.5
191.05620	5.7
195.03015	1.9
215.05621	2.5
227.07106	0.8
229.01508	0.6
252.05849	0.6
257.05667	0.6
278.50702	0.6
285.03909	1.5
300.73093	0.5
307.08331	4.2
309.45319	0.5
321.19244	0.7
335.07684	4.6
339.04987	1.1
351.07181	43.3
352.07596	1.4
358.95770	0.5
453.23264	2.9
467.23822	0.9
512.18500	0.5
513.10541	0.9
513.18549	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	513.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.8
61.98818	2.7
62.16351	1.3
69.03429	1.5
71.01378	3.9
72.99318	2.8
83.04994	1.3
88.10325	1.2
90.33478	1.2
93.03464	3.3
96.26624	1.3
98.21789	2.9
101.02438	1.9
117.03489	2.7
125.02381	1.5
126.06174	1.2
135.03046	1.7
135.04504	3.0
136.01599	1.7
151.00343	3.5
161.02438	1.7
164.01186	4.8
167.10771	100.0
168.11121	2.3
173.04521	3.0
174.03229	1.4
179.03558	1.8
179.05179	1.5
191.05592	5.0
199.03984	2.1
200.40961	1.5
211.09717	7.6
221.84937	1.3
223.03952	3.0
242.05746	1.4
256.58270	1.3
263.06958	2.7
269.04617	1.4
286.04752	2.0
292.81888	1.2
301.07132	19.2
302.22867	1.4
307.06116	9.8
329.13641	1.7
349.07285	2.7
371.14966	3.2
382.42722	1.4
469.09335	12.6
495.16452	1.8
513.22430	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	513.2113
Annotation	Gomisin E
Peak:m/z	Relative Intensity
56.34067	1.7
57.40709	1.8
59.01383	15.7
61.98798	6.9
65.58125	1.9
68.99784	2.3
69.03446	2.8
71.01397	15.7
73.02920	5.9
79.95710	3.4
80.96516	13.7
82.95371	2.4
84.64054	1.9
85.02914	5.3
89.02403	7.6
93.03432	4.8
94.98047	4.4
95.51290	1.9
96.95949	2.3
99.00803	2.5
99.04488	4.6
101.02428	14.7
105.03436	2.8
109.02878	2.5
113.02387	6.5
117.03337	1.8
119.03461	2.1
121.02892	1.9
123.04433	2.0
125.02388	4.6
131.03384	2.4
133.02039	2.7
133.02956	40.8
134.03682	3.0
135.04512	18.6
141.44736	2.0
151.00313	2.2
151.03835	2.3
160.42513	1.7
161.02449	77.6
162.02771	2.5
164.98602	2.0
167.03415	4.8
173.04561	26.3
177.01917	12.0
179.03391	9.1
191.05547	7.9
225.00633	4.0
258.01505	2.4
286.04315	2.2
306.74307	2.5
345.19043	2.7
351.07242	12.5
376.49707	2.3
465.00314	2.3
477.17148	2.8
477.23438	42.4
513.20905	100.0
514.21539	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	513.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.2
55.34426	0.8
55.70572	0.8
57.03442	2.2
59.01379	27.7
61.98827	13.4
70.07340	1.9
71.01383	25.7
72.99277	1.0
73.02943	13.1
75.00861	1.0
81.03468	0.9
83.01367	5.2
85.02951	12.6
86.00114	1.0
87.00862	1.6
89.02440	8.8
95.01387	1.4
97.02902	1.3
99.00906	5.3
100.50330	1.0
101.02441	27.6
108.02158	2.1
109.02940	3.3
111.00885	2.0
113.02454	11.3
124.01173	0.8
125.02456	4.1
131.03487	3.3
134.29195	0.9
135.04488	0.9
143.03520	1.1
149.04565	1.6
152.01131	2.9
153.01945	3.1
154.85086	0.9
159.02975	1.7
161.02385	2.2
161.04530	6.7
168.41682	0.8
191.05586	1.4
279.02298	0.9
293.08847	1.0
321.19196	23.3
452.33154	2.3
453.23401	100.0
454.23575	3.5
513.10095	1.9
513.16943	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	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.2
57.03435	0.2
59.01376	6.1
60.95313	0.2
61.72844	0.1
62.17879	0.2
71.01381	4.4
71.46119	0.2
73.02940	1.1
78.95905	0.4
83.01381	0.5
85.02950	0.9
86.19165	0.2
87.00863	0.5
89.02448	3.5
91.03993	0.3
95.01366	0.2
99.00886	0.2
101.02444	3.8
112.61263	0.2
113.02451	1.7
116.92907	0.2
119.03487	1.0
125.02443	0.3
127.19187	0.2
133.05075	0.4
136.60391	0.2
143.03491	0.6
152.99577	0.8
157.05070	0.3
161.04529	1.5
172.90215	0.2
179.05618	0.7
182.13033	0.2
205.19591	0.2
228.21600	0.2
233.22615	0.2
235.08257	1.3
253.09273	14.9
254.09616	0.3
259.20557	0.4
277.21710	100.0
278.22046	3.2
296.26059	0.2
513.28656	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
59.01378	10.5
61.98833	0.2
70.06499	0.2
70.06831	0.4
71.01381	6.6
72.99310	0.2
73.02943	1.4
73.73317	0.2
74.07599	0.2
83.01387	0.6
85.02960	1.8
87.00887	0.7
89.02441	5.6
91.03996	0.2
95.01392	0.4
97.02976	0.2
97.06544	0.2
98.22574	0.2
99.00898	0.3
101.02446	6.1
106.46894	0.2
112.01634	0.2
113.02450	3.2
119.03494	1.6
131.03485	0.2
133.05080	0.2
143.03511	0.4
149.04530	0.2
157.05241	0.2
161.03362	0.2
161.04575	2.2
179.05647	0.7
233.22801	0.3
234.06137	0.2
235.08279	1.0
240.36414	0.2
246.17636	0.2
253.09286	20.1
254.09647	0.6
259.20587	0.3
275.20215	0.3
277.21719	100.0
278.22052	3.6
310.47101	0.2
336.41141	0.2
419.77005	0.2
455.31699	3.7
513.27448	4.1
514.28027	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	513.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02119	1.2
59.01385	1.2
60.61324	0.9
60.99294	3.3
71.13823	1.1
84.73515	0.8
88.16832	0.9
197.07201	0.9
263.01819	0.9
281.10254	1.0
344.83353	1.0
349.01862	1.0
431.01416	1.0
453.33694	1.4
455.35294	93.8
456.35526	4.4
513.31085	100.0
513.36646	41.1
514.30304	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	513.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70840	0.6
59.01374	1.6
70.98724	0.9
83.05012	1.0
85.06558	0.9
86.77628	0.6
98.22160	1.3
113.67589	0.5
115.15090	0.5
209.77029	0.6
427.32162	6.6
453.33743	1.1
455.35309	80.9
456.35583	4.8
469.36929	1.4
513.29791	100.0
513.36646	38.3
514.30353	6.1
533.23358	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	3.3
60.99299	3.2
69.08801	6.3
78.76622	0.9
78.95886	1.0
122.87527	0.9
159.50389	1.0
212.40234	1.0
226.78400	1.0
390.41623	1.0
453.33694	1.6
455.35272	82.9
456.35812	7.0
471.52182	1.1
513.31067	100.0
513.36566	49.5
514.30109	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	513.358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50324	0.9
59.01365	1.2
71.43330	0.9
82.63610	0.7
83.05012	1.2
93.61850	0.7
111.04492	1.1
133.03302	0.7
179.52527	0.8
228.48691	0.8
321.34433	1.0
415.28238	0.9
427.32333	7.8
453.33740	0.8
455.35446	1.5
467.35327	1.5
469.36768	2.3
513.35919	100.0
514.36273	6.5
538.95172	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3584
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
58.91113	1.1
59.01376	2.1
70.54610	2.5
73.21352	1.1
98.22383	2.0
104.92765	1.1
120.68510	1.2
206.87941	1.2
251.33205	1.1
325.73566	1.1
354.99673	1.3
455.35336	1.5
513.35913	100.0
514.36462	5.8
533.99243	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	513.3582
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
52.72487	0.7
55.80700	0.7
59.01378	24.5
61.98816	1.0
71.21057	0.8
77.11412	0.7
95.27821	0.7
115.27399	0.7
133.02922	0.8
148.45856	0.8
441.33908	1.6
449.34369	6.6
450.10544	0.7
453.33792	0.9
483.34973	2.2
495.34793	36.6
496.35104	2.6
513.35834	100.0
514.36243	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3583
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
55.98547	0.2
58.75057	0.2
59.01380	8.3
69.15758	1.5
72.93871	0.3
191.05530	0.3
214.90347	0.3
254.53157	0.3
317.98853	0.3
393.31567	0.3
405.31580	0.3
410.76486	0.3
441.33902	0.4
449.34213	1.2
453.33652	3.1
495.34775	5.5
513.35834	100.0
514.36182	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	513.3582
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
59.01379	2.2
65.39872	0.3
69.15801	1.9
80.58698	0.3
91.91855	0.3
130.19939	0.3
393.31653	0.6
513.35846	100.0
514.36285	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	513.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.4
64.91747	0.5
69.51971	0.8
69.52319	1.4
71.05036	1.5
83.05013	1.8
85.06579	1.2
108.18367	0.7
124.09440	0.5
135.66379	0.6
137.11624	0.5
182.22174	0.5
193.19252	0.6
360.68097	0.5
367.30011	0.7
407.32858	0.6
415.28195	0.6
427.32355	10.8
453.33673	1.7
455.35321	41.3
456.35742	3.0
467.35367	1.8
469.36880	3.7
481.21439	0.5
495.34375	0.6
513.30133	36.1
513.37122	100.0
514.30786	3.5
514.36371	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	513.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.4
71.14600	0.8
76.57763	0.6
78.39591	0.6
108.39718	0.7
152.99660	0.7
213.48279	0.6
232.86017	0.7
285.68329	0.7
334.25024	0.6
453.34006	2.1
513.35846	100.0
514.36298	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	514.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
57.03442	1.7
57.06467	1.0
59.01378	22.3
61.98825	3.6
71.01384	23.7
72.99311	1.7
73.02948	9.3
75.12547	1.1
80.77538	1.1
82.95432	1.4
83.01389	4.3
85.02956	12.1
87.00867	3.4
89.02447	7.2
93.03458	3.6
95.01388	1.4
99.00863	3.1
101.02453	21.8
103.03992	2.7
108.87849	1.1
113.02459	12.4
115.04011	3.0
119.03506	2.1
121.02970	1.2
125.02506	1.4
131.03487	2.7
133.02962	5.2
135.04527	8.5
143.03522	7.2
145.05153	1.6
148.05307	100.0
149.05711	1.5
159.02946	1.8
161.02498	11.9
161.04556	27.6
162.02797	6.2
163.07645	74.5
164.07971	1.7
173.04527	9.2
179.03477	5.9
191.05600	6.9
205.07196	5.6
293.08618	1.4
295.91202	1.3
307.10242	1.5
325.12823	2.9
353.08826	10.9
471.18741	74.0
472.18909	3.9
514.23596	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	514.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48927	0.1
59.01373	0.3
61.98829	100.0
69.37731	0.3
69.38121	0.3
71.01392	0.2
79.30457	0.1
98.22647	0.3
106.62681	0.1
120.50314	0.2
125.02489	0.2
138.86694	0.1
168.00647	0.2
174.59045	0.1
179.03572	0.1
191.05634	0.3
281.59763	0.1
454.23889	0.7
454.34061	0.3
479.39761	0.2
514.32416	0.3
515.17969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46314	2.0
59.01357	3.4
61.06449	2.2
61.98825	2.8
69.24482	11.7
78.95864	2.2
83.11040	2.0
143.57771	2.4
172.22166	2.1
236.09097	1.9
353.08786	2.9
454.33820	3.5
514.36188	100.0
515.36475	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	514.918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10817	0.4
51.73080	0.5
57.13867	0.4
57.80473	0.4
59.01362	1.8
69.69016	1.0
74.94511	0.5
125.93659	0.7
127.93152	28.6
129.92331	0.7
137.93570	0.4
138.94370	0.8
139.93163	12.1
140.94000	0.7
152.95999	0.7
153.95894	0.5
154.95499	45.5
155.95770	0.5
157.95276	0.4
166.99472	2.1
167.92665	1.5
171.97079	0.7
181.92941	3.4
182.93327	0.5
182.94913	0.4
184.01013	5.1
184.88692	0.5
196.94893	1.5
197.94826	0.5
198.94470	100.0
199.94746	1.5
199.98756	4.5
215.95966	1.9
217.00241	0.8
236.24054	0.6
243.90005	0.5
248.40196	0.5
258.87491	0.6
335.82153	0.5
340.95660	1.9
341.99969	3.7
342.99420	0.5
427.29803	0.5
432.83490	0.7
433.81726	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56534	0.5
53.84953	0.4
57.03435	0.8
59.01376	1.9
60.99283	0.6
67.01891	3.3
69.03457	1.1
69.15183	0.4
69.15800	2.3
71.01387	3.4
81.03458	0.9
83.05019	0.8
85.02947	4.3
87.00880	1.2
93.03457	24.3
99.04511	0.6
107.05037	0.8
109.02948	1.0
109.17107	0.4
111.00892	0.9
111.04520	5.0
113.02376	0.5
121.91982	0.5
127.03996	1.6
133.02965	2.0
134.03745	2.6
135.04523	65.2
136.04857	1.4
137.02426	5.5
149.62834	0.4
155.03502	5.2
161.02426	4.1
167.09842	0.4
171.03038	0.5
173.04547	97.5
174.04878	1.9
179.03488	64.9
180.03856	1.8
185.58725	0.4
191.05605	40.1
192.05965	0.8
203.03438	4.3
245.86192	0.4
253.75983	0.4
255.06705	1.1
299.05621	2.3
317.06659	1.1
335.07779	0.8
353.08752	100.0
354.09122	5.4
497.87357	0.4
515.11829	7.2
516.12567	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1191
Annotation	1,3-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
53.12216	0.4
57.03439	0.7
59.01375	2.8
60.99287	0.5
67.01880	3.4
69.03454	0.7
70.28117	0.6
70.28457	1.0
71.01389	3.3
79.10258	0.4
81.03443	0.7
81.65200	0.5
83.05016	0.9
85.02951	5.0
87.00896	1.1
89.02428	0.7
89.38016	0.4
93.03458	23.0
107.05032	1.0
109.02917	1.1
111.00871	0.7
111.04517	5.1
113.02496	0.7
127.03999	1.7
133.02957	1.8
134.03758	2.6
135.04526	60.4
136.04881	1.0
137.02437	5.8
155.03496	4.9
161.02423	5.8
173.04549	92.9
174.04898	1.2
179.03494	64.5
180.03831	1.0
191.05615	47.0
192.05930	1.4
196.64247	0.4
203.03494	2.7
255.06499	0.6
290.42871	0.5
299.05392	0.6
317.06775	0.7
335.07748	1.5
353.08768	100.0
354.09232	3.8
515.11627	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	515.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23926	0.4
57.67037	0.4
59.01368	1.0
70.28503	0.6
70.28857	0.8
71.01385	0.7
75.53216	0.4
75.72752	0.4
81.03434	0.4
85.02953	5.3
87.00896	0.9
93.03470	3.4
98.22604	0.5
107.05024	1.5
108.02166	0.4
109.02959	0.8
111.04489	2.0
117.03449	0.6
117.20053	0.4
124.45470	0.4
127.04012	1.5
133.02965	1.6
134.03743	3.3
135.04526	53.6
136.04849	0.9
152.01137	0.5
155.03503	1.7
161.02435	5.5
161.03667	0.4
164.33447	0.4
173.04562	4.6
179.03496	48.4
180.03865	1.5
191.05609	100.0
192.05878	2.0
216.47255	0.4
335.07541	0.5
353.08771	66.7
354.09164	2.5
515.17810	0.9
537.12152	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88755	0.4
57.03434	0.7
59.01371	1.4
60.99314	0.7
67.01891	2.7
69.03440	0.7
69.28687	2.5
71.01369	2.4
74.06418	0.4
74.54975	0.5
75.00465	0.5
81.03441	0.7
83.05030	0.7
85.02962	3.4
87.00892	1.0
88.98811	1.0
93.03460	18.0
99.04532	0.9
107.05032	0.9
109.02963	1.0
111.00888	0.7
111.04539	4.5
113.02492	0.6
127.04002	1.6
133.02963	1.6
134.03728	1.7
135.04530	59.0
136.04855	0.8
137.02422	3.9
155.03516	4.9
161.02431	4.3
173.04552	85.2
174.04851	1.3
177.33427	0.5
179.03502	68.0
180.03743	1.0
191.05620	47.3
192.05972	0.9
203.03503	3.8
255.06728	1.0
299.05612	1.3
335.07715	0.8
353.08780	100.0
354.09015	4.3
515.11975	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	515.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
57.03444	14.7
59.01379	44.2
60.99287	2.0
61.98834	9.4
67.01891	8.8
68.99820	9.6
69.03453	16.7
71.01375	25.0
72.92853	1.3
73.02943	2.6
78.95896	1.5
81.49327	1.3
83.05012	8.4
85.02959	9.8
87.00870	10.4
89.02449	21.8
91.05499	2.4
93.03457	29.3
95.05025	7.9
99.00861	4.7
101.02444	31.5
103.00345	1.7
107.05032	10.6
108.20524	1.3
109.02946	30.4
109.55505	1.3
111.04502	5.0
113.02451	7.9
115.52328	1.2
119.03506	8.1
119.04967	3.8
121.02951	3.2
122.03706	1.8
123.04532	2.9
127.04015	22.1
131.03461	1.3
133.02928	2.1
133.06543	1.4
134.03769	3.0
135.04520	23.4
135.08179	2.5
136.01628	5.1
137.02443	2.5
137.06062	6.5
141.33151	1.4
145.02940	11.5
147.08119	2.5
149.02425	5.0
149.06009	1.4
150.03224	18.2
151.04025	9.1
155.03473	2.6
159.04446	1.7
159.08041	1.4
161.02411	5.5
161.06065	7.0
163.04008	3.2
163.07619	4.4
165.05550	17.3
167.07114	12.7
172.86194	1.3
173.04529	10.5
177.09358	2.1
179.03432	9.7
179.05597	2.4
181.05019	5.4
187.04028	12.8
187.07593	2.4
189.09187	6.3
191.05603	72.2
195.06616	24.6
207.06708	2.8
207.10175	2.5
209.06018	1.8
213.01897	3.8
213.05626	2.7
214.02620	1.8
221.04491	2.3
226.52368	1.6
233.08188	5.4
239.03343	2.8
239.05585	17.4
240.03871	2.1
241.05090	7.9
253.04927	2.3
255.06578	4.5
256.07458	6.4
268.53970	1.4
271.09729	13.3
279.03024	3.1
279.06372	1.7
280.03702	1.8
281.04550	13.7
297.07614	7.5
319.11703	1.5
323.05566	12.0
341.06638	10.8
349.07895	1.4
353.08334	1.6
413.14569	13.9
453.17560	6.6
467.17014	2.4
471.15045	64.9
472.15189	2.6
474.08173	1.7
477.50211	1.4
500.84515	1.5
515.11755	100.0
515.17908	10.3
516.12207	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	515.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28870	1.3
55.01847	1.1
55.09408	0.9
57.03440	1.8
59.01379	49.9
60.48542	1.1
61.47491	1.2
66.19497	1.0
67.01886	2.1
71.01379	33.2
71.43377	1.4
71.43755	1.1
72.99317	1.5
73.02931	3.3
75.00868	2.9
83.01368	2.3
85.02946	12.6
87.00883	5.6
89.02443	39.6
93.03448	11.8
95.01371	2.1
97.71030	1.3
99.00855	7.6
101.02442	14.2
111.00863	2.0
111.04527	5.1
112.98811	10.8
113.02456	12.7
115.00372	1.3
119.03506	12.1
127.04018	2.8
128.07133	1.6
129.01930	2.7
129.05586	1.6
131.03459	2.2
133.02956	3.8
135.04521	16.7
137.02486	1.4
142.99844	10.7
143.03490	5.0
145.01431	2.2
149.04515	1.4
155.03484	3.6
161.02451	25.1
161.04546	3.2
172.06128	1.7
173.00943	9.5
173.04550	22.7
173.09251	3.0
174.07680	4.2
179.03506	17.6
179.05580	18.9
191.05609	100.0
192.05981	1.8
272.83951	1.2
323.07675	23.0
341.10983	89.1
342.11099	2.9
353.08780	11.3
380.95242	1.2
515.14020	40.6
516.14203	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	515.136
Annotation	Gericudranin A
Peak:m/z	Relative Intensity
51.09186	0.5
57.03430	0.6
58.02965	0.9
58.99594	2.1
59.01378	13.2
60.87048	0.5
62.44260	0.5
67.01884	1.0
68.01405	1.3
68.99820	1.6
69.03445	2.0
69.13473	1.7
69.13882	1.7
70.02946	0.6
71.01385	7.2
72.00912	1.4
74.02474	8.1
84.00937	0.8
84.97536	0.5
85.02943	8.2
86.99092	4.6
87.00862	2.1
88.98798	0.9
89.02444	5.2
93.03466	2.9
94.02979	4.6
96.96023	0.6
97.04071	2.1
99.00881	0.9
99.05637	1.2
100.00417	1.6
101.02429	5.2
107.05048	1.4
109.02940	2.1
111.04527	1.1
113.02461	2.1
113.03535	0.5
116.01753	4.9
117.03451	1.3
119.03506	1.9
121.02983	0.9
122.02483	15.6
123.04520	1.2
125.03570	3.4
126.01957	1.0
127.04021	2.8
129.99677	1.9
132.02139	1.0
133.02954	6.5
134.06094	1.3
135.04510	5.3
135.08160	0.6
136.04083	0.9
137.02396	0.7
138.01971	2.7
143.04607	5.3
148.04002	1.2
156.39030	0.5
160.00722	56.8
161.02438	37.2
162.02754	0.8
162.05606	2.1
167.07126	2.0
169.02527	2.7
172.07697	1.6
173.04578	0.9
174.05640	0.7
175.47592	0.6
177.01854	1.1
179.03517	3.0
191.05605	67.6
192.05969	1.0
195.06612	1.2
200.07068	0.8
205.06253	3.6
249.05139	9.8
257.09174	1.4
283.03937	14.2
320.40634	0.6
323.07709	24.9
324.08057	0.9
335.07037	6.3
341.08795	1.9
353.08325	3.4
395.09232	0.8
455.20816	0.6
471.15048	2.3
479.21008	0.8
515.13562	100.0
516.13849	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	515.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64353	0.8
59.01374	5.6
68.99809	1.3
69.03453	2.3
69.38233	3.3
71.01363	2.0
85.02941	10.7
87.00876	2.2
88.98713	0.8
89.02451	2.3
93.03468	4.9
100.16708	0.7
101.02421	3.2
107.05042	1.4
109.02946	1.1
109.60123	0.9
111.04508	1.2
113.02450	1.2
116.14377	0.7
117.03554	1.0
119.03521	1.1
125.93532	0.9
127.04041	3.0
131.25520	0.8
132.02161	1.7
133.02965	7.2
134.19762	0.8
135.04550	5.4
160.00650	1.8
160.01788	1.4
161.02441	51.1
162.02780	1.8
167.07092	1.6
173.04613	1.9
179.03506	3.7
179.05389	0.8
191.05609	100.0
192.05942	1.0
239.05772	1.1
278.41071	0.9
283.03922	1.0
323.07724	34.4
324.08133	1.2
341.08658	2.0
353.08844	5.1
471.14966	1.6
515.13995	48.5
516.14209	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	515.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.7
67.01901	0.6
69.03417	0.5
69.72111	1.1
69.72459	0.9
71.01372	1.4
80.17410	0.5
81.03477	0.6
83.05032	0.5
85.02955	9.0
85.99635	0.4
87.00868	1.7
89.02409	0.4
93.03454	5.7
98.22560	0.6
101.02458	0.6
109.02959	0.7
111.00241	0.5
111.04531	1.6
116.92877	0.7
117.03475	1.3
127.04021	3.1
132.02182	1.3
133.02968	6.4
135.04532	5.8
145.53133	0.4
160.01718	2.9
161.02444	48.6
162.02779	0.9
171.02988	0.7
173.04506	2.0
179.03487	4.7
191.05612	100.0
192.05997	1.5
202.36514	0.4
209.95764	0.4
224.45750	0.5
323.07715	49.7
324.08023	1.8
341.08765	3.5
353.08572	3.2
379.18573	0.4
395.10379	0.5
515.14069	39.7
516.14447	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	515.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	25.4
58.00567	1.0
58.81304	1.0
59.01378	68.7
61.98833	8.9
64.93204	1.2
67.01892	10.3
68.99814	14.0
69.03075	1.5
69.03452	25.6
71.01376	29.8
72.99299	1.0
73.02933	2.0
75.00863	3.0
78.95892	2.1
79.05508	1.1
81.03442	1.9
83.01376	2.3
83.05029	11.2
83.15990	1.0
85.02950	12.3
87.00871	7.0
89.02445	39.3
89.03005	1.9
91.05527	1.9
93.03458	18.7
95.01375	4.3
95.05025	13.5
96.28076	1.2
97.06577	2.1
98.05470	1.1
99.00879	8.0
101.02440	54.3
103.00389	2.0
107.05025	15.5
109.02940	14.0
110.98480	1.5
111.04495	2.6
112.83348	1.1
113.02447	14.9
119.03490	16.6
119.04996	5.0
121.02945	5.0
121.06583	2.3
122.03690	1.7
123.04520	4.7
123.08169	3.1
127.04008	40.2
128.10661	1.1
131.03490	1.2
133.02936	3.6
133.06601	1.2
134.03711	2.5
135.04524	25.8
135.08131	5.3
136.01678	5.8
137.02405	2.1
137.06071	11.8
143.03499	2.0
145.02922	6.5
147.08224	5.8
149.02428	6.0
149.06042	3.1
150.03218	14.3
151.03996	7.0
159.04425	1.8
161.02423	5.4
161.04613	2.1
161.06070	3.9
163.04008	6.1
163.07610	8.2
164.04811	1.1
165.05573	15.2
167.07135	22.4
171.08154	1.8
173.04588	8.2
173.05899	2.0
177.01949	1.4
177.09181	3.2
179.03465	6.6
179.05586	5.1
180.04247	1.4
181.05048	11.0
187.04021	6.9
187.07623	4.2
189.09203	13.1
191.05602	40.6
191.07307	2.4
195.06622	30.7
205.58051	1.2
207.06587	3.4
207.10132	2.8
221.04596	3.6
221.08174	3.6
229.12395	5.4
231.06468	2.2
233.08203	12.0
239.03247	2.6
239.05589	31.2
241.04976	6.1
247.13344	1.4
251.09157	1.2
253.05177	1.5
255.06583	2.4
256.07410	4.2
271.09787	10.1
273.11261	3.6
279.02954	1.7
281.04431	6.3
291.08798	1.2
291.12146	1.6
297.07675	3.2
305.04544	1.9
309.09647	1.6
319.11810	1.2
323.05588	6.9
341.06607	5.1
353.08926	1.2
355.96561	1.4
413.14505	29.3
414.14447	1.6
453.17758	15.2
471.15039	100.0
472.15244	5.4
515.11780	45.1
515.17920	27.8
516.11945	2.9
516.18500	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	515.1403
Annotation	Racemosic acid
Peak:m/z	Relative Intensity
50.28696	0.4
55.57934	0.4
59.01379	2.5
60.99317	0.8
67.01876	2.8
68.99818	0.6
69.03452	1.2
69.32191	2.6
71.01370	2.9
73.04966	0.4
83.05015	1.0
85.02962	4.9
87.00873	3.6
89.02424	0.7
93.03458	17.8
99.00897	0.6
101.02446	1.0
109.02922	0.6
111.04526	2.9
113.02464	0.7
127.04002	1.6
129.01961	0.7
129.13962	0.4
133.02957	1.6
134.03786	0.5
135.04526	18.2
136.04901	0.5
155.03488	1.0
161.02444	7.8
167.07143	1.1
173.04550	4.7
179.03491	16.1
191.05608	100.0
192.05942	2.2
233.06618	0.6
247.02763	0.5
281.51666	0.4
341.08801	0.9
353.08759	10.4
391.24567	0.6
395.09842	2.5
455.21674	0.7
471.15042	1.3
515.14050	59.6
516.14233	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	515.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.5
60.99292	0.8
67.01879	5.1
68.99825	2.0
69.03446	2.6
69.27739	3.8
71.01376	4.6
73.02944	0.8
81.03465	0.9
83.05012	1.1
85.02944	3.8
87.00870	2.0
89.02464	1.1
93.03460	25.7
96.96008	0.7
99.04549	0.7
101.02455	3.9
107.05031	2.4
109.02934	1.2
111.00861	3.4
111.04533	4.3
127.04006	1.9
133.02974	1.3
134.03801	1.4
135.04533	79.7
136.04858	0.9
137.02451	5.1
155.03508	3.9
161.02448	6.4
164.05959	0.7
167.07147	2.9
173.04559	54.7
178.28561	0.6
179.03502	100.0
180.03838	1.9
191.05621	32.0
195.06654	2.2
216.58342	0.7
243.47594	0.7
250.86299	0.7
274.53607	0.7
291.19647	0.6
323.07669	2.9
335.07861	0.7
336.58487	0.6
341.08762	52.9
342.09201	1.7
353.08725	7.0
455.21307	0.7
471.15097	4.1
515.14050	59.5
516.14728	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	515.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73894	2.2
55.01881	2.4
57.03431	2.5
58.00588	2.6
59.01376	94.4
60.01764	1.9
67.01891	6.2
68.99817	46.1
69.03452	70.8
69.41519	10.4
71.01380	41.4
73.02946	3.2
79.05510	3.2
83.01402	2.2
83.05040	6.4
85.02951	6.7
87.00912	2.6
89.02438	43.1
91.05544	4.1
93.03469	11.5
95.01379	5.8
99.00877	10.0
101.02441	100.0
107.05022	61.5
108.02184	2.1
113.02449	15.0
119.03496	25.3
119.05019	5.8
121.02934	6.1
123.04499	2.5
127.04010	19.9
131.03554	2.6
133.02928	2.8
133.06807	2.1
135.04515	52.9
135.05479	3.6
135.08163	12.1
136.04845	2.1
137.02411	3.3
137.06055	2.7
143.03537	3.4
149.02486	6.5
149.06053	6.6
158.64438	2.1
159.08156	2.7
161.02446	3.9
163.04039	16.1
163.07620	16.3
167.07121	88.7
177.05586	5.2
179.03464	3.8
179.05652	5.7
181.05028	6.5
187.07530	10.0
189.09245	2.5
191.05695	5.0
193.08754	2.5
195.06607	54.4
205.08691	3.7
211.06110	18.1
215.07111	3.3
219.10086	3.0
221.04552	5.7
233.08199	3.0
237.11363	2.9
239.05574	26.6
247.09665	2.4
249.07719	3.3
265.10825	5.1
283.04483	2.0
291.08850	2.6
318.07809	2.3
443.15518	7.5
471.15073	98.1
472.15707	6.0
515.14069	85.7
516.14563	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	515.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.7
57.75528	0.6
59.01379	11.5
59.75567	0.5
61.67189	0.5
67.01880	1.2
69.03469	1.0
70.80113	0.8
71.01376	9.5
72.99297	0.6
73.02929	1.3
73.40095	0.5
75.00906	0.6
83.05000	0.9
85.02940	7.9
87.00883	2.7
89.02443	7.1
93.03454	11.4
99.00874	1.7
101.02461	3.5
109.02896	1.0
111.00880	1.5
111.04517	3.1
112.98814	2.0
113.02455	2.5
119.03480	2.8
127.04012	2.1
129.01939	1.0
132.02213	0.7
133.01427	0.6
133.02924	4.3
135.04529	20.1
137.02415	1.0
142.99899	2.6
143.03456	0.7
154.99850	0.5
155.03537	1.0
160.01657	1.9
161.02440	28.2
172.06111	0.6
173.00908	3.0
173.04535	12.6
173.09294	0.7
174.07645	1.2
179.03488	21.8
179.05498	3.2
191.05602	100.0
192.05894	1.3
323.07706	26.0
341.10797	12.2
353.08759	8.6
354.09250	0.9
515.14050	39.1
516.14209	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	515.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.3
61.98816	0.5
65.03956	0.6
71.01388	1.3
73.02944	0.4
83.05042	0.3
85.02956	0.5
86.29562	0.3
89.02427	1.2
93.03464	56.3
94.03799	0.8
99.00883	0.4
101.02455	0.8
103.57262	0.3
111.00880	0.5
111.04579	0.4
113.02460	0.4
115.17427	0.2
135.04541	3.1
137.02460	100.0
138.02812	1.9
149.04591	0.8
161.02432	1.2
173.04578	4.1
179.03516	3.1
191.05611	2.5
214.06412	0.5
217.85634	0.2
239.93155	0.3
281.12122	0.3
297.14978	0.5
299.13126	0.3
325.14578	1.4
343.11826	0.4
343.15448	2.0
353.08786	3.1
358.68774	0.2
369.13651	0.6
369.42886	0.2
387.14548	1.0
424.39392	0.3
455.26389	0.3
478.91922	0.3
515.11530	0.4
515.18103	4.2
515.26025	0.3
515.29187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00087	1.5
59.01379	14.1
61.98821	1.6
67.01865	1.6
68.99793	1.7
69.03448	6.1
71.01374	10.5
85.02938	3.8
86.92172	1.6
87.00880	2.2
89.02436	8.1
93.03461	12.5
93.75238	1.4
97.96597	1.5
99.00854	3.0
101.02426	7.3
105.03500	1.8
107.05008	4.0
108.02148	2.7
109.02955	8.2
113.02439	3.6
119.03500	1.9
121.02941	9.5
122.03753	9.9
123.04565	2.3
127.04046	2.6
132.02184	1.5
133.02966	8.9
134.02718	1.5
134.03738	33.9
135.04518	20.6
136.01651	41.1
137.02417	6.3
145.02921	2.7
147.04488	2.1
149.02437	22.2
149.04851	2.0
149.06062	17.2
150.03214	68.7
151.03996	50.5
152.04721	4.4
161.02429	10.9
161.04602	2.0
161.06035	2.2
162.02962	1.6
163.04042	2.7
164.04759	6.8
165.05559	62.4
167.07037	2.9
173.04497	5.5
179.03467	5.8
179.05586	2.1
180.04234	5.4
181.05099	2.9
187.04005	1.7
191.05600	23.5
195.04697	3.2
195.06587	35.4
213.05537	13.2
214.02289	1.5
223.04027	3.4
224.04672	1.6
225.05559	2.9
240.04277	2.4
241.05034	57.0
242.05644	2.7
252.04164	3.8
253.04947	5.0
255.06567	3.6
256.07401	37.1
257.07715	1.9
267.06595	2.9
269.04437	3.0
271.09729	100.0
272.09979	2.6
279.03201	1.4
281.04623	2.7
284.06909	5.3
285.07706	12.3
297.07498	2.8
299.09195	20.3
319.11823	13.6
323.05524	3.2
329.38464	1.6
341.06177	2.2
353.08691	2.0
419.14938	3.2
434.10510	4.2
467.17078	61.6
468.17551	4.7
471.15039	7.5
479.21219	6.5
515.12036	22.9
515.19110	18.2
515.28137	3.3
516.12665	2.1
533.84088	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.7
59.01379	25.8
65.00318	8.0
71.01382	11.7
73.02945	2.0
75.60881	1.8
83.01398	5.7
85.02952	4.5
87.49787	1.8
89.02435	11.0
90.45576	2.0
93.03477	8.9
95.01409	2.4
96.96034	4.0
98.21790	3.2
101.02449	7.7
107.01382	15.4
109.02958	1.6
111.00907	3.9
111.04529	2.7
113.02418	4.0
119.03513	4.4
125.02467	6.7
133.02968	4.0
134.03766	2.4
134.89317	1.7
135.04526	100.0
136.04779	2.9
137.02449	5.7
139.11298	12.2
141.07156	2.4
151.00374	94.0
152.00696	2.8
155.03481	2.6
161.02429	5.3
169.01422	1.9
173.04564	19.2
177.01964	2.0
179.03499	20.6
183.10233	12.5
191.05602	20.4
214.06427	1.9
227.09268	3.6
235.35628	1.7
255.52568	1.8
281.12073	2.0
283.02576	2.7
285.04001	6.7
287.05621	82.2
288.06042	3.9
297.14941	4.4
299.12878	2.2
305.51083	2.2
325.14276	9.3
335.22293	7.0
343.15518	14.2
353.08743	17.9
369.13434	4.9
384.18570	1.9
387.14438	6.8
446.08359	2.9
497.25446	7.5
515.18872	6.2
515.28772	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	515.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.7
59.01379	25.8
65.00318	8.0
71.01382	11.7
73.02945	2.0
75.60881	1.8
83.01398	5.7
85.02952	4.5
87.49787	1.8
89.02435	11.0
90.45576	2.0
93.03477	8.9
95.01409	2.4
96.96034	4.0
98.21790	3.2
101.02449	7.7
107.01382	15.4
109.02958	1.6
111.00907	3.9
111.04529	2.7
113.02418	4.0
119.03513	4.4
125.02467	6.7
133.02968	4.0
134.03766	2.4
134.89317	1.7
135.04526	100.0
136.04779	2.9
137.02449	5.7
139.11298	12.2
141.07156	2.4
151.00374	94.0
152.00696	2.8
155.03481	2.6
161.02429	5.3
169.01422	1.9
173.04564	19.2
177.01964	2.0
179.03499	20.6
183.10233	12.5
191.05602	20.4
214.06427	1.9
227.09268	3.6
235.35628	1.7
255.52568	1.8
281.12073	2.0
283.02576	2.7
285.04001	6.7
287.05621	82.2
288.06042	3.9
297.14941	4.4
299.12878	2.2
305.51083	2.2
325.14276	9.3
335.22293	7.0
343.15518	14.2
353.08743	17.9
369.13434	4.9
384.18570	1.9
387.14438	6.8
446.08359	2.9
497.25446	7.5
515.18872	6.2
515.28772	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	515.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34258	5.7
54.37104	5.9
59.01370	57.7
61.98828	13.3
65.43590	7.3
69.40750	30.8
71.01379	56.2
73.02953	12.0
73.24754	7.8
80.20821	6.1
82.95417	9.7
83.05032	7.6
85.02943	23.2
87.00903	9.2
89.02440	63.0
93.03434	25.7
99.00883	25.4
101.02439	49.1
111.04445	6.8
113.02488	11.4
124.17730	6.7
125.02435	11.5
129.89874	6.4
131.03508	15.6
133.02985	10.7
135.04530	72.3
149.04549	72.1
153.81383	8.6
161.02400	19.0
173.04546	74.1
179.03523	54.1
191.05643	81.1
221.06638	10.3
246.15399	7.3
284.06369	7.2
311.09912	14.9
317.21213	15.2
353.08813	100.0
473.88626	8.5
515.12341	6.7
515.21924	65.4
515.29401	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	515.2991
Annotation	Saponaceolide F
Peak:m/z	Relative Intensity
50.57606	2.1
59.01383	26.4
61.98824	9.8
65.00342	3.0
69.03453	3.2
69.57072	9.2
71.01385	24.1
73.02940	7.5
75.00901	2.3
78.48833	2.2
82.95411	3.5
85.02943	10.8
87.00890	4.4
89.02439	13.4
93.03456	11.0
96.96014	8.4
97.02943	2.5
98.07555	2.6
99.00896	5.7
101.02448	17.7
109.02959	3.5
111.00887	5.4
111.04529	3.8
113.02432	7.8
119.03487	3.2
121.02949	16.7
123.08098	2.6
125.02486	2.6
127.03969	3.6
133.03003	2.8
135.04539	28.3
137.02388	3.5
148.05313	2.8
149.04599	5.0
151.00362	7.0
158.15817	2.3
161.02458	8.3
161.04578	6.0
163.07669	6.9
172.05109	2.6
173.04558	37.6
179.03531	29.1
191.05624	39.7
221.26088	2.7
285.04041	5.1
297.45407	2.6
315.16058	4.1
343.15527	6.2
353.08755	36.8
479.32239	27.5
515.29810	100.0
516.29004	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	515.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02693	5.5
54.57278	4.9
56.23539	5.4
57.03449	6.1
59.01375	59.8
61.98821	25.8
67.01901	10.0
69.08979	28.4
69.09382	8.9
71.01388	30.0
73.02949	5.9
82.95419	14.1
85.02933	24.2
89.02432	25.3
93.03461	38.6
98.54874	5.9
101.02435	22.0
105.82951	5.5
109.02938	6.8
111.00889	27.6
113.02438	11.2
119.03490	12.3
121.02972	25.4
125.02419	9.8
127.04015	8.7
133.02922	19.7
134.03757	10.6
135.04507	82.3
137.02431	18.1
151.00365	8.6
155.03487	10.9
161.02422	32.7
165.05583	6.6
173.04530	95.7
179.03513	72.4
191.05608	100.0
208.99147	6.2
214.06354	15.5
240.04211	9.2
240.22539	5.9
285.03970	21.1
297.14731	7.1
325.14407	35.1
335.22238	7.3
343.15491	69.3
353.08780	93.5
353.23154	34.4
366.78317	5.9
369.13470	20.7
387.14526	7.9
393.30579	6.0
414.90887	6.4
515.11975	10.7
515.18884	6.5
515.29712	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87102	0.6
56.68269	0.6
57.03527	1.2
59.01481	1.9
61.65807	0.5
69.03233	0.6
69.03575	2.0
70.66090	0.9
83.05111	0.9
97.06677	0.6
107.08801	0.7
109.06699	0.8
111.08314	2.3
121.06637	0.6
125.09841	1.5
125.87454	2.2
126.88271	1.1
127.11393	1.2
127.87189	1.8
135.04636	1.4
149.09802	0.9
150.33676	0.6
151.11374	1.2
153.12985	2.4
155.10870	1.1
165.12862	0.8
167.10751	3.3
173.04694	1.3
177.12892	1.5
179.10854	0.9
179.14549	2.5
181.12482	2.4
191.05862	0.7
195.13867	5.5
197.11856	3.0
199.13455	0.8
205.12262	4.0
207.14069	2.1
211.13614	0.8
215.12935	0.9
217.16196	0.8
223.13377	36.7
224.13869	1.2
247.20647	5.6
263.20129	0.9
273.18704	2.7
281.21085	0.8
291.19650	37.4
292.19998	1.8
307.83148	0.7
309.20703	100.0
310.21100	3.5
353.08780	1.6
406.10629	1.5
407.10083	1.7
435.32407	0.7
455.35278	16.8
456.35239	1.0
457.35605	2.7
479.31168	0.7
497.26773	0.8
497.32727	9.9
515.30573	25.5
516.31177	1.4
526.75726	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3377
Annotation	Fusidic acid
Peak:m/z	Relative Intensity
59.01372	1.2
61.98830	1.2
67.75900	0.9
70.69769	1.0
70.70121	1.2
135.04515	1.5
173.04527	2.3
179.03448	2.0
191.05551	1.9
194.95682	0.9
353.08752	3.4
365.98004	1.0
515.33771	100.0
516.34174	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	515.353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95838	1.1
66.97205	1.3
69.99819	3.1
98.21896	1.8
99.80802	1.1
163.09990	2.5
163.11288	38.1
164.11592	1.3
175.11255	1.9
176.12047	2.7
177.12854	5.3
208.11015	2.4
282.16299	5.1
283.17038	9.2
330.13214	1.2
339.23270	100.0
340.23544	3.9
351.23209	6.1
406.30563	1.4
515.35309	54.1
516.35486	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	515.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26912	21.6
80.08723	4.0
119.47313	3.8
168.30316	3.4
173.04463	5.4
179.03494	9.4
183.38380	4.2
185.22585	4.2
191.05556	9.0
202.06654	3.9
205.12340	6.0
223.13481	21.1
291.19537	21.6
303.35388	5.0
309.20761	23.7
347.25998	7.9
353.08701	8.6
455.35196	61.8
456.35825	6.0
457.36197	8.5
497.32834	4.5
515.30981	100.0
516.30780	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	517.0038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	72.5
61.98827	0.7
68.09983	0.6
71.09695	0.7
82.20821	0.7
85.73203	0.5
113.78885	0.6
132.98183	2.4
156.99945	0.7
157.03580	0.9
174.99245	29.4
201.02556	14.8
202.02710	0.8
217.00301	100.0
218.00699	1.5
241.36082	0.6
343.03726	2.4
359.01459	13.6
374.99203	57.7
375.99368	1.0
516.96124	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29171	0.5
51.28159	0.5
59.01373	4.2
60.99308	13.7
71.01376	3.1
84.95139	0.5
85.02930	0.6
87.00888	0.8
88.98810	100.0
89.02446	20.1
89.03007	1.0
93.03464	0.7
98.21764	0.7
99.42320	0.5
101.02472	1.6
107.66489	0.5
111.00885	0.7
113.02495	0.6
117.03484	1.4
119.05051	1.3
122.81203	0.6
125.02402	0.5
133.02954	0.9
135.04539	1.0
145.02951	4.1
148.05237	0.5
156.38617	0.6
161.02457	2.4
161.04497	0.8
163.03938	0.7
173.04489	0.9
179.03522	1.7
191.05649	1.1
194.05858	1.1
209.08156	0.9
285.04065	1.5
293.08890	0.8
306.07785	0.8
307.08206	3.2
398.68002	0.5
447.09644	0.6
517.16779	0.9
517.30145	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62039	0.5
50.89436	0.6
53.03817	0.6
55.01866	1.3
55.72584	0.6
57.03445	2.7
58.00584	1.7
58.28616	0.5
59.01378	90.3
65.59388	0.5
69.03464	2.6
69.11018	0.6
71.01381	75.4
71.66484	0.5
72.99293	1.5
73.02945	22.2
73.03360	1.1
75.00862	1.4
78.13652	0.6
81.03460	1.7
83.01397	3.1
83.05037	1.7
85.02957	10.0
87.00882	5.1
89.02444	100.0
90.02797	0.7
95.01392	1.6
95.05033	1.4
97.02947	6.9
99.00875	25.8
101.02441	34.6
103.03851	0.5
107.01400	0.7
108.44560	0.7
109.02929	0.9
111.00896	0.6
111.04539	0.7
113.02451	12.4
115.03989	3.0
119.03503	5.1
123.08145	1.1
125.02448	18.0
125.06105	1.4
127.03999	0.7
131.03503	25.4
136.05301	2.1
138.06873	8.5
139.07629	1.7
143.03491	2.7
147.08116	1.5
149.04555	45.3
149.68033	0.6
151.07649	6.3
152.08423	23.9
152.09647	1.4
153.09215	32.0
155.01440	0.6
160.01633	0.7
161.04526	4.3
163.11308	4.5
165.09236	1.0
175.03905	0.7
187.11317	0.8
190.09978	1.9
191.05632	18.7
193.05043	1.1
205.12332	48.8
206.12589	1.2
223.13503	4.1
233.06656	14.4
233.08844	1.2
238.11191	0.6
251.07751	2.1
262.86249	0.7
293.08771	15.2
315.25638	0.6
365.14432	2.2
385.18570	5.9
493.99069	0.7
517.22900	98.6
518.23224	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	517.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48185	3.2
59.01359	5.2
61.96032	3.3
65.22266	3.7
65.76051	3.2
70.70682	5.6
71.05019	4.7
74.43746	3.3
80.02661	3.9
83.05016	7.6
95.05015	4.7
97.02975	5.8
101.02429	3.8
107.05039	6.7
109.06610	17.7
118.82583	3.5
123.08134	4.3
125.09706	8.0
126.78219	3.8
135.08160	8.2
153.09169	4.8
153.12805	8.4
154.81036	4.0
156.96159	3.3
163.11259	11.0
169.12292	5.2
172.48747	3.6
179.10759	7.2
181.12343	5.2
197.11804	54.6
198.48804	3.3
207.10274	35.6
209.11829	41.6
211.13342	10.4
225.11322	30.1
233.11717	4.1
241.10800	92.0
241.13268	4.5
242.11111	4.7
281.24796	12.3
287.16623	6.6
291.19495	25.0
301.17920	4.5
305.17581	58.0
306.17816	5.1
309.20679	100.0
323.18732	23.3
415.96042	5.3
481.28943	4.9
499.30588	27.7
517.31030	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	517.317
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11010	0.7
57.03449	0.8
61.98812	1.0
62.91177	0.8
67.80125	0.8
69.03454	2.0
71.05009	3.1
83.05014	1.0
104.58421	0.8
119.30264	0.7
123.08152	1.5
125.09696	2.5
130.41237	0.8
151.11325	1.2
153.12831	2.8
161.09680	1.7
170.91397	0.9
179.10756	8.0
183.12607	0.9
183.45219	0.8
194.11057	0.9
197.11823	79.2
198.12125	2.4
209.11856	2.0
223.09734	5.8
241.10800	100.0
242.11166	1.8
275.20233	0.9
289.18167	2.0
293.21216	4.6
307.19113	1.2
473.32605	2.4
517.31665	27.0
517.38922	1.9
518.31836	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	518.252
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	3.9
69.34625	0.5
69.35030	0.4
74.19142	0.2
78.95904	46.7
88.52128	0.3
96.96962	6.1
134.49590	0.2
141.44408	0.2
150.98026	1.5
151.83339	0.2
152.99588	100.0
153.99921	0.6
171.00623	4.4
171.02042	0.2
203.32457	0.2
214.02005	0.2
277.21759	0.9
431.22012	21.5
432.22342	0.9
462.40524	0.2
518.25299	4.7
538.26794	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.8
61.98829	1.1
63.80640	0.9
71.01395	2.9
73.02952	1.3
75.00864	1.3
79.26350	0.6
80.88901	0.7
85.02928	1.3
87.00883	2.1
89.02450	2.6
93.03455	0.8
95.87153	0.8
96.96016	1.6
101.02437	2.4
103.28068	0.7
105.01933	1.3
109.02919	1.4
113.02442	1.7
116.92835	0.8
119.03484	1.4
121.02954	71.0
122.03262	1.5
125.02384	0.9
133.02969	1.0
135.04527	2.2
147.04527	1.2
159.04523	1.4
161.02415	3.3
165.01924	100.0
166.02290	1.4
179.03523	1.5
180.04306	1.1
183.96057	0.7
191.03769	1.2
191.05608	11.1
195.06593	3.3
221.04614	1.0
251.05312	0.8
269.08203	2.1
313.07175	2.1
328.02750	0.7
337.70465	0.7
353.08856	1.5
357.10306	2.6
431.12192	0.8
501.12079	1.7
519.13361	4.1
519.20648	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10233	0.3
53.72645	0.3
56.82178	0.3
57.03439	0.4
59.01116	0.4
59.01382	4.8
69.03461	5.5
69.90479	0.9
69.90836	0.6
71.01387	2.9
73.02937	1.1
78.21534	0.3
81.03457	9.8
83.01395	0.6
85.02943	1.8
87.00867	0.4
89.02444	1.5
93.03454	0.5
96.96015	0.5
99.00868	0.7
101.02440	3.2
105.03426	0.6
111.00867	0.5
111.04523	0.6
112.32722	0.3
113.02456	1.3
117.03485	0.8
123.04556	0.5
125.02451	12.4
131.03476	0.5
132.02164	1.4
133.02960	29.1
134.03720	1.7
135.04533	14.8
135.05289	0.3
139.11281	1.2
149.02495	0.5
149.06105	0.9
155.03484	0.4
161.02446	100.0
162.02763	1.7
165.91418	0.4
173.04562	1.2
177.01970	0.6
177.05579	2.2
179.03488	11.5
183.10274	5.7
191.05649	0.9
195.06512	0.4
203.03523	0.9
221.04591	2.9
251.05653	0.9
263.05664	0.5
281.06747	1.3
309.48328	0.4
323.07672	11.3
357.11737	0.9
357.15588	5.6
393.11923	16.9
394.12302	0.7
519.15131	63.7
519.24207	8.1
520.15375	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	519.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.6
57.03447	4.5
58.00592	0.8
59.01379	75.9
61.32658	0.4
64.73161	0.5
67.01891	2.4
68.99830	0.9
69.03459	3.4
71.01381	56.6
71.05017	1.3
72.99320	0.9
73.02946	15.4
75.00871	0.9
81.03473	3.1
83.01392	5.5
85.02951	16.1
85.51031	0.4
86.00115	0.5
87.00875	6.1
89.02444	53.3
91.01928	2.1
93.03463	6.6
95.01389	3.4
95.05024	1.2
97.02949	6.8
99.00891	7.5
99.04518	0.9
101.02446	34.5
103.04027	5.1
107.04990	0.8
109.02968	0.9
109.06580	1.5
111.00901	3.0
111.04528	1.7
113.02451	12.7
114.95166	0.4
115.03968	2.4
119.01365	0.4
119.03503	6.8
121.02950	2.7
123.04514	0.7
123.08186	1.4
125.02447	15.6
127.04000	6.4
129.01959	0.7
131.03510	14.1
133.02966	1.1
135.04532	2.0
136.01570	0.4
136.28362	0.4
137.02434	2.8
137.06117	0.5
137.09732	1.6
138.06865	11.8
138.07965	0.6
143.03517	3.8
145.05087	1.0
147.64792	0.4
149.04559	14.3
151.04010	18.6
153.09210	36.3
154.09537	0.5
155.03532	3.8
155.10866	0.5
159.02992	1.8
159.04366	0.4
161.02448	1.0
161.04562	7.5
163.06129	5.1
163.11287	0.8
165.12836	0.7
173.04533	7.5
179.05655	1.0
191.05614	11.0
192.11523	0.5
205.07133	0.6
207.13889	4.1
225.14960	36.5
226.15283	0.8
233.06654	5.0
239.07182	0.5
247.08238	1.7
287.07748	2.8
293.08792	7.3
307.10388	4.1
339.12408	1.6
340.70523	0.5
345.15549	1.7
355.57559	0.5
369.19055	1.3
387.20206	11.8
388.20935	0.5
427.12640	0.9
519.18463	3.8
519.24493	100.0
520.24835	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	519.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.5
57.03440	2.5
59.01380	100.0
68.99823	7.4
69.03457	5.6
69.10979	4.2
69.11392	1.8
71.01380	57.2
72.89567	0.8
72.99304	5.1
73.02951	15.2
78.38699	0.7
81.03445	1.3
83.01385	5.2
85.02951	14.3
87.00888	3.9
89.02444	59.4
93.03450	4.6
95.01385	8.6
95.05018	2.0
97.02939	3.0
99.00889	8.3
101.02445	49.5
111.00871	2.8
113.02455	17.9
115.03972	2.3
119.03496	14.2
121.06586	1.5
123.04545	4.9
125.02442	3.7
127.03992	2.1
131.03505	9.2
133.02936	2.2
133.06593	1.2
135.04494	2.6
143.03471	4.2
149.02527	1.7
149.04556	16.0
151.03992	1.2
153.05577	6.5
155.03506	21.9
159.04448	1.4
161.02464	2.0
161.04546	6.7
163.04042	0.8
165.05548	1.8
173.04515	1.7
179.03317	0.9
179.05606	7.4
185.05983	0.9
185.11833	0.9
188.51407	0.9
191.05624	14.9
191.07190	1.2
209.04515	3.3
209.06250	0.8
225.14989	5.5
226.62903	0.9
227.05566	1.7
233.06775	2.7
265.07266	1.4
293.08710	1.7
297.09775	2.6
309.07687	0.9
309.15619	0.9
355.06970	0.9
387.20267	15.1
427.12491	1.2
459.14661	4.1
474.05701	0.9
519.17224	7.9
519.24438	72.2
520.24744	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	519.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.6
59.01381	3.3
60.99286	0.6
61.98813	0.3
64.63139	0.2
65.56964	0.2
67.01883	3.8
69.03455	2.8
69.19330	1.2
71.01379	3.5
71.05007	0.6
72.99304	0.2
73.02937	0.7
81.03458	1.1
83.01389	0.3
83.05029	0.8
85.02941	1.1
87.00868	0.5
89.02440	0.8
93.03459	22.5
94.03760	0.3
96.95972	0.3
97.02933	0.5
99.00876	0.4
101.02419	1.0
102.47069	0.2
109.02935	0.7
111.00906	1.1
111.04519	5.2
111.08159	0.4
113.02448	0.8
113.06137	0.2
117.97291	0.3
119.03539	0.4
119.05024	0.6
125.02380	0.5
127.04001	0.3
133.02953	1.3
134.03702	0.3
135.04515	1.3
135.98343	0.7
137.02440	5.3
139.11279	2.0
145.02928	0.8
151.04033	0.2
155.03503	4.5
161.02444	3.8
161.06120	0.2
163.03992	0.8
173.04547	100.0
174.04855	1.2
176.46725	0.2
177.01906	1.1
177.05492	0.4
178.08279	0.2
179.03473	0.9
183.10266	8.6
191.05634	1.1
209.11816	2.1
227.12874	0.9
251.18408	0.2
265.07086	0.3
274.27783	0.2
296.06247	0.6
323.07932	0.2
357.15540	53.6
358.15939	2.0
383.15167	0.3
519.15253	0.6
519.25092	1.5
519.31885	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.187
Annotation	(-)-Pinoresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.25278	0.2
55.01851	0.4
57.01735	0.3
57.03436	0.5
59.01372	3.4
69.03467	0.4
71.01379	5.4
73.02949	1.9
79.05165	0.3
83.01372	0.5
84.02181	0.4
85.02951	2.5
87.00883	0.5
87.66867	0.3
89.02438	1.8
90.83349	0.3
92.02686	0.3
93.03459	1.3
94.03809	0.4
95.01403	0.5
97.02987	0.4
98.21886	0.7
99.00864	0.9
101.02451	3.5
108.02161	1.4
109.02923	0.6
113.02425	1.8
119.03484	0.3
121.02942	4.4
122.03722	4.2
123.04520	0.5
131.03487	0.4
133.02931	0.9
134.03738	1.2
135.04538	2.0
136.01657	69.3
137.02385	2.2
143.03522	0.5
147.04553	0.3
149.04550	0.6
149.06067	0.5
151.04002	100.0
152.04318	1.4
159.04523	0.6
160.05281	1.4
161.02452	2.8
161.04546	2.5
162.03212	1.4
163.03993	1.5
173.04549	1.0
174.04941	0.4
175.03925	0.6
175.07611	1.4
177.05556	0.9
179.03481	1.1
180.04259	0.4
181.04027	0.3
187.03941	0.6
189.05484	0.8
190.06361	0.3
191.05634	3.5
192.05867	0.4
215.05562	0.4
245.02452	0.3
250.33046	0.3
267.06534	0.4
296.10480	0.3
311.12778	0.6
313.69748	0.3
319.11111	0.4
342.11041	5.0
353.08862	0.4
355.09283	0.5
356.09515	0.4
357.13416	97.0
358.13760	4.4
370.06473	0.3
387.20166	0.8
449.19418	0.3
454.05679	0.4
519.15723	0.5
519.24481	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	519.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53456	0.7
55.01867	2.2
57.03437	3.8
59.01379	48.3
61.98836	1.5
66.67558	0.8
69.03456	3.0
69.17200	5.4
71.01383	44.6
72.76637	0.8
72.99284	1.0
73.02950	12.8
73.52037	0.9
76.82349	0.8
83.01385	5.7
83.05009	0.9
84.95107	1.1
85.02951	17.7
87.00881	4.3
88.98793	0.9
89.02447	30.0
93.03464	4.3
95.01378	2.2
97.02957	2.8
99.00854	5.1
101.02445	29.4
108.02215	1.0
109.02960	1.3
111.00877	4.5
113.02450	11.8
115.04021	1.6
119.03480	3.5
121.02960	4.0
122.03716	2.1
125.02439	2.9
131.03505	10.9
133.02975	9.5
134.03743	2.1
134.20181	0.9
135.04526	17.4
136.01663	50.5
137.02405	2.7
143.03516	2.3
149.04546	6.6
149.06041	2.5
151.04012	70.3
152.04283	1.0
159.03012	1.2
160.05338	0.9
161.02443	32.1
161.04425	5.3
161.05861	1.4
162.03096	3.4
163.04018	2.1
173.04529	6.2
174.04834	1.0
175.07617	0.9
177.01973	1.6
177.05582	6.0
179.03511	12.7
179.05243	1.3
179.05554	1.2
180.03947	1.0
191.05603	13.3
192.05908	1.6
207.13885	1.0
221.04547	6.1
225.14894	3.4
233.06627	2.9
239.07248	1.0
251.05566	7.0
281.06726	10.6
293.08881	1.0
297.17380	1.2
323.07712	1.9
326.54559	0.9
341.08731	4.9
342.11166	3.9
345.15860	1.4
351.07172	1.1
355.09082	1.1
356.09402	1.4
357.13434	67.4
358.13574	3.0
369.19272	0.9
370.04999	0.9
387.20267	17.4
463.26486	0.8
519.15472	10.8
519.24457	100.0
520.24811	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	519.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
57.03442	1.8
58.00587	1.0
59.01379	78.4
60.99305	1.4
61.98829	13.2
67.01895	1.4
69.03458	1.8
71.01382	41.4
72.99275	0.8
73.02950	8.3
75.00882	2.0
81.03439	5.7
81.49107	0.8
83.01385	2.8
83.05023	2.4
85.02956	10.8
87.00864	3.3
88.98779	4.4
89.02445	46.8
93.03450	7.7
95.01392	3.0
96.56448	0.8
96.95973	2.1
97.02928	2.1
99.00878	7.5
99.92577	3.1
101.02443	31.1
109.02943	4.1
111.00899	0.8
111.04529	6.2
113.02443	13.7
114.02685	1.1
115.00358	1.6
116.92072	1.6
116.92869	26.0
117.01945	2.4
117.05624	0.8
119.03499	11.7
121.03024	0.9
121.10202	1.8
123.04520	1.0
125.02448	10.6
127.03992	1.2
131.03510	7.0
131.07141	1.9
133.01474	4.3
133.02950	2.9
134.03699	1.3
135.04530	15.9
137.02419	1.0
143.03525	1.5
147.04585	4.7
149.04552	13.2
149.05806	1.1
149.06136	1.0
151.07722	1.0
155.03505	7.6
159.04469	2.8
160.01590	0.9
161.02446	13.0
161.04494	4.4
165.09212	13.0
167.06964	1.1
172.48561	0.7
173.03056	1.4
173.04549	24.7
175.03952	1.7
177.05605	1.8
179.03513	6.1
179.05646	1.4
183.10223	1.8
191.05621	11.8
193.05037	1.6
195.06651	1.8
221.04607	1.6
221.06569	1.8
251.05502	1.8
251.07826	1.4
269.08136	3.6
275.36111	0.7
281.06628	1.7
297.09781	3.3
309.07599	0.8
313.07034	4.3
324.10065	0.9
339.12344	1.8
341.08746	3.0
345.15533	100.0
346.15875	2.4
357.13474	0.9
383.09775	5.6
457.13281	2.0
459.18753	2.7
476.63559	0.9
483.24384	1.4
519.20862	58.7
520.21082	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.7
57.03448	3.5
58.00599	0.8
59.01379	100.0
60.01726	0.6
61.98822	0.3
67.01907	0.7
68.99811	0.7
69.03456	4.8
71.01382	82.8
71.04995	0.6
71.82809	0.4
72.01720	0.9
72.99312	1.6
73.02948	21.7
74.73808	0.3
75.00867	1.5
79.01899	0.6
79.16368	0.4
81.03460	4.1
81.07095	0.8
83.01390	5.9
83.05026	2.6
85.02953	18.9
86.00100	0.4
87.00883	5.6
89.02445	90.4
90.02776	0.9
93.03421	1.6
93.05633	0.3
95.01395	4.4
95.05016	0.8
97.02953	7.4
98.22643	1.1
99.00882	16.0
99.04524	0.8
101.02445	50.4
102.02794	0.5
105.07086	0.4
107.05052	1.0
109.02953	0.9
111.00893	3.8
111.04543	1.2
113.02450	19.2
115.04004	2.4
116.92863	0.7
117.05545	0.4
119.03506	8.2
119.04317	0.6
121.02943	0.5
121.06609	1.3
121.10238	1.3
123.04533	2.1
123.08170	23.8
125.02451	18.8
127.04022	2.3
128.90211	0.4
129.01952	1.0
129.05589	1.1
131.03508	26.2
133.02867	0.3
135.04599	0.4
137.02483	0.6
137.09724	6.7
138.06874	0.6
138.10176	0.3
139.04008	0.4
141.01936	0.5
143.03517	4.1
145.10248	0.3
147.69460	0.3
149.04558	45.3
150.04941	0.8
151.07683	0.6
152.08400	0.3
153.09204	1.0
155.03513	6.4
155.08673	0.5
159.02965	1.6
159.04466	0.3
161.04562	12.2
163.06108	0.5
163.11287	23.2
164.11720	0.4
171.11765	1.5
173.04602	1.9
173.09695	1.7
175.06178	0.4
177.02058	0.4
179.03482	0.6
179.05624	4.9
189.12849	26.2
191.05611	18.5
192.05934	0.5
193.05084	0.7
195.06587	0.5
197.08203	0.7
205.12363	0.4
207.13901	25.0
208.14253	0.8
211.95334	0.3
215.05569	0.5
221.06650	1.3
225.07724	0.7
225.14978	5.5
233.06662	9.8
239.07164	0.4
251.07758	2.2
265.04993	0.4
275.07599	0.4
287.07904	0.4
293.05432	0.7
293.08792	13.9
311.09903	0.7
327.09039	0.5
345.15518	5.4
369.19092	0.4
370.19241	0.4
375.12866	0.6
387.20209	10.8
388.20502	0.5
431.18970	0.4
438.11102	0.4
445.13962	0.4
501.23245	0.9
519.17999	4.6
519.24536	81.9
520.18738	0.3
520.25092	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	519.2441
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
51.38578	0.5
55.01872	2.3
57.03437	2.3
59.01378	44.8
61.98825	1.6
68.99792	1.5
69.03432	1.7
71.01382	37.3
71.44926	0.6
72.99298	1.3
73.02946	13.5
74.24656	0.5
74.56171	0.4
75.00864	0.8
81.03476	0.8
83.01389	4.5
84.02132	0.6
85.02954	14.6
85.06578	0.6
87.00882	3.2
88.98818	2.3
89.02448	33.9
93.03445	1.5
95.01382	5.4
97.02949	2.5
99.00880	10.1
99.04490	1.0
101.02444	33.3
109.02917	0.6
111.00859	1.3
113.01693	0.9
113.02454	14.6
115.04012	1.8
119.03509	6.0
123.04508	2.1
125.02460	3.6
127.04012	0.8
129.01936	0.6
131.03506	6.3
133.02939	1.2
135.04498	1.3
137.09752	0.5
143.03481	1.9
149.04553	13.7
151.04019	0.7
153.57712	0.5
155.03508	14.1
156.03799	0.6
159.02975	1.0
161.02399	2.0
161.04578	6.8
163.11264	0.5
173.04587	1.1
175.03966	0.6
175.06152	0.4
179.03496	0.8
179.05623	1.5
189.12685	0.6
191.05632	8.4
193.05061	0.5
219.91704	0.5
221.06650	0.8
225.14973	4.8
233.06709	2.5
237.65007	0.4
251.07802	0.8
293.08691	2.5
323.48798	0.5
345.22864	0.5
354.08847	0.6
387.20239	25.4
388.20575	1.0
392.19843	0.4
425.58350	0.4
428.91214	0.6
501.23535	1.4
519.17242	8.3
519.24426	100.0
520.17224	1.1
520.24542	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	519.2445
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
55.01876	2.2
57.03204	0.4
57.03443	2.2
58.00589	0.7
59.01379	48.8
68.99811	1.2
69.03455	2.0
71.01383	45.5
72.99322	1.0
73.02947	16.1
75.00884	1.7
81.03468	1.9
83.01385	3.7
83.05011	1.7
85.02958	11.7
87.00861	1.8
89.02447	42.7
90.02780	0.5
95.01403	2.3
97.02940	4.6
98.21860	0.7
98.66092	0.5
99.00880	11.5
99.04565	0.8
101.02444	27.5
111.00874	0.8
113.02448	12.8
115.04023	3.5
119.03500	5.1
121.06649	0.9
123.04530	1.0
123.08170	15.6
125.02448	12.0
127.04032	1.1
131.03506	7.0
137.09726	7.3
137.10765	0.4
138.06813	0.8
143.03488	3.4
147.08173	0.4
149.04555	13.0
153.09143	0.8
155.03500	1.1
155.08679	0.6
155.10799	0.6
159.03032	2.0
159.25223	0.4
160.98080	0.3
161.03206	0.6
161.04556	13.1
163.11288	15.6
164.11674	0.4
171.11769	1.3
173.04523	0.5
173.09737	2.1
179.05661	3.6
189.12849	25.0
190.13200	1.0
191.05606	5.9
207.13895	21.0
208.14299	1.0
223.56252	0.4
225.07668	2.2
225.14949	5.1
229.29111	0.4
233.06654	12.7
244.31490	0.4
251.07684	0.7
293.08795	11.2
294.09241	0.5
300.25223	0.4
334.35205	0.4
365.14380	0.4
387.20248	9.1
388.20499	0.7
426.52441	0.4
501.23560	1.1
519.24445	100.0
520.17261	0.9
520.24780	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	519.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28138	0.4
55.01869	2.9
57.03451	5.7
58.00584	1.5
59.01380	100.0
62.93160	0.5
67.01897	3.3
68.99821	0.5
69.03452	4.9
71.01384	71.8
71.05024	1.6
72.01709	0.5
72.99309	2.5
73.02950	20.9
73.82085	0.5
75.00877	1.0
79.01893	0.7
81.03461	3.5
83.01395	7.3
83.05025	0.8
85.02953	20.1
86.00118	0.9
87.00005	0.5
87.00877	6.2
87.04517	0.7
89.02448	60.9
91.01906	2.6
92.02692	1.1
93.03459	8.9
95.01399	4.7
95.05051	1.4
96.02179	0.6
97.02949	8.1
99.00881	9.7
99.04523	1.3
101.02446	39.5
103.04009	7.2
105.48443	0.4
107.01367	0.6
108.02213	0.7
109.02964	1.6
109.06595	0.8
111.00857	2.8
111.04517	2.7
111.64977	0.5
113.02453	16.4
115.04018	2.8
116.92838	0.6
117.78965	0.4
119.01398	1.2
119.03508	7.3
121.02952	4.2
123.04541	1.8
123.08189	1.0
125.02447	15.9
125.09712	0.5
127.04020	11.2
127.04964	0.6
129.01962	0.7
131.03511	17.1
133.02963	1.1
135.04536	3.5
136.01680	0.7
137.02457	4.1
137.06087	0.6
137.09714	1.5
138.06871	17.0
143.03523	3.7
145.05081	1.5
149.04561	16.4
149.09671	0.6
151.04010	26.3
152.04283	0.6
153.09218	40.8
154.09560	0.8
155.03502	7.5
155.23618	0.5
159.03003	1.1
159.04478	0.4
161.02473	1.7
161.04568	7.3
163.06129	5.1
163.11305	0.8
165.12920	0.5
173.03102	0.7
173.04556	9.0
179.05638	0.9
189.12929	0.5
191.05614	13.0
205.07326	0.5
207.13835	4.0
215.05606	0.7
225.14960	39.0
226.15291	0.7
233.06686	6.5
243.36946	0.5
247.08264	1.5
276.01239	0.5
287.07813	4.2
293.08774	8.7
307.10376	4.8
339.12387	1.5
345.15607	1.3
369.19119	1.4
387.20233	10.9
427.12640	1.0
519.17822	5.8
519.24530	93.1
520.25018	4.8
537.88171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
57.03432	1.1
57.30748	0.4
59.01377	12.5
61.98809	0.4
64.07874	0.5
69.03463	5.3
69.74321	1.4
71.01382	14.6
73.02945	7.2
79.47407	0.4
81.03452	8.7
83.01377	2.2
85.02943	7.0
86.00091	0.6
87.00880	1.3
89.02438	5.1
90.06918	0.4
93.03456	0.8
95.01380	0.9
97.02969	0.9
99.00880	5.6
101.02447	10.5
105.03496	0.5
111.00918	0.8
113.02445	6.0
115.04045	0.6
117.03473	1.0
119.03499	0.6
125.02448	12.5
131.03482	0.9
132.02133	0.8
133.02954	26.9
134.03778	2.4
135.04524	13.4
137.02379	0.8
139.11310	0.6
149.04610	0.5
149.06059	0.8
155.03539	0.5
159.03014	0.8
161.02441	100.0
161.04587	2.5
162.02734	2.2
165.09323	0.5
167.61319	0.5
173.04520	1.1
177.01918	1.2
177.05627	2.5
179.03490	12.2
183.10266	2.3
191.05624	1.3
195.06528	0.5
203.03441	0.5
221.04573	2.9
251.05670	1.1
263.05423	0.4
277.54416	0.4
281.06631	1.2
285.87357	0.5
296.06119	0.8
323.07700	13.0
324.07916	0.6
343.21237	1.4
357.15533	2.0
387.20267	0.8
393.11908	17.4
475.25467	0.7
519.15112	63.8
519.24432	58.5
520.15417	4.3
520.24744	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	519.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77215	0.7
55.01870	2.4
57.03437	1.8
59.01380	25.3
61.98829	2.3
67.01863	0.6
67.57150	0.5
69.03452	2.2
69.33128	0.5
71.01383	27.7
72.99304	1.6
73.02947	15.3
75.00851	0.7
81.03452	1.7
83.01395	3.6
83.05027	0.9
85.02951	13.4
87.00876	2.7
89.02444	12.4
89.03973	1.5
93.03459	3.1
95.01373	1.6
95.05027	3.6
96.96004	1.7
97.02935	1.7
99.00875	6.0
101.02445	23.6
105.03459	3.1
109.02984	1.1
111.00858	1.6
113.02444	11.2
115.03981	0.9
116.92879	0.6
117.97309	1.0
119.03456	1.3
119.04984	0.9
123.04547	0.8
123.24853	0.6
125.02446	2.0
129.01938	1.0
131.03462	1.3
133.02017	1.0
133.02946	10.6
135.04514	4.0
137.02390	0.7
137.06091	1.2
143.03537	1.6
145.02928	0.9
149.04538	1.4
151.04005	1.2
153.09280	0.6
155.03604	0.6
159.02972	1.3
159.04463	0.5
161.02457	5.3
161.04523	5.4
162.02846	0.6
173.04555	3.6
176.01212	0.8
177.01930	93.6
178.02336	2.4
179.03531	2.2
179.05623	0.6
189.09203	0.9
191.05635	6.4
194.96201	0.7
197.08235	1.8
207.13828	0.7
233.06604	1.1
243.10187	3.2
287.09311	2.9
296.06155	1.2
339.07132	1.0
339.70682	0.7
343.15289	0.7
343.21140	2.5
357.13284	1.4
387.20224	1.9
475.25229	1.6
484.27716	0.9
519.15649	11.7
519.24445	100.0
520.16193	0.7
520.24847	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	519.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.5
59.64019	0.3
61.98827	3.0
66.61466	0.4
68.11298	0.4
69.88992	0.4
70.02964	1.0
70.99197	0.4
78.95902	50.1
96.96017	0.7
96.96963	5.9
98.51863	0.4
103.11104	0.4
121.10194	0.4
126.10626	0.4
150.98039	1.6
152.99588	100.0
153.99883	0.7
171.00641	4.1
202.94141	0.7
230.04877	0.5
291.19574	0.9
297.82974	0.5
365.26886	0.5
377.16309	0.5
432.22339	0.6
519.27234	15.7
519.34839	0.9
520.27863	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2731
Annotation	3-Libocedroxythymoquinone
Peak:m/z	Relative Intensity
51.25018	6.4
59.01391	32.7
61.98837	18.8
65.85220	7.1
69.03452	6.8
71.01378	30.9
72.99297	7.1
73.02950	11.6
81.80392	7.1
85.02974	11.6
89.02457	11.1
94.19684	7.4
98.69755	6.5
101.02429	18.3
133.02931	14.6
134.03723	13.4
135.04565	8.8
137.02422	10.3
160.67908	7.6
161.02422	13.3
161.04555	10.3
161.25639	8.5
162.70880	7.4
163.29514	6.9
165.27800	6.8
170.34041	6.3
172.30688	6.5
173.04596	14.3
178.02602	9.9
191.05577	17.8
202.96486	6.0
345.17227	8.6
478.41501	6.8
515.45123	7.9
519.27069	100.0
519.34558	9.6
520.27631	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	519.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80827	0.4
55.01870	0.4
59.01376	0.8
65.93721	0.4
66.74962	0.4
70.68956	0.6
71.05023	1.9
75.62819	0.3
75.64114	0.4
78.95913	0.5
81.89571	0.3
83.05025	0.7
95.05135	0.4
97.02956	4.8
97.06595	0.8
99.00882	14.6
105.06509	0.4
107.88050	0.3
109.06590	1.2
110.03724	2.8
123.08157	0.5
125.09718	4.3
126.30038	0.4
135.08159	1.0
136.05302	0.7
137.81496	0.4
142.02692	0.5
152.99608	0.6
153.12849	0.5
155.14410	1.3
161.09753	0.3
163.11281	6.8
179.10750	0.4
181.12343	17.2
182.12648	0.4
195.13872	1.6
197.11845	0.8
199.13393	7.1
202.97522	0.4
207.10260	41.4
208.10657	1.0
209.11801	0.5
223.13367	0.9
225.11320	61.3
226.11699	1.9
243.12363	100.0
244.12799	1.9
265.21936	0.4
275.20126	1.3
285.43591	0.4
293.21219	20.9
294.21274	0.7
309.20786	0.7
501.31949	0.6
519.33252	52.1
520.33435	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	519.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.8
57.57611	1.5
59.01361	3.9
60.84742	1.5
69.03434	1.6
69.31478	8.6
70.62128	1.5
78.95888	6.4
81.03448	3.4
83.05024	4.6
84.02147	2.5
87.21307	1.6
95.05022	3.0
97.02954	2.4
97.06583	3.2
110.31720	1.6
119.04964	2.0
122.49998	1.6
123.04476	3.9
125.09701	5.4
135.08138	3.2
137.09723	5.4
141.05574	4.3
144.88072	1.6
152.99583	8.2
153.09207	6.2
163.11276	10.8
165.12819	4.6
169.57663	2.0
171.10289	10.6
177.12865	2.2
181.12265	2.8
183.13895	8.3
185.11852	10.7
191.14447	8.4
193.12321	3.7
197.11871	1.6
199.63887	1.5
207.10291	4.6
208.53166	1.8
209.11829	72.3
211.13387	68.0
225.11311	5.5
227.12891	18.2
245.19073	22.6
276.65195	1.9
277.21661	5.2
289.18091	98.7
290.18619	2.2
291.19656	19.7
307.19147	100.0
309.20709	26.1
316.26465	1.7
325.20200	28.6
347.22092	1.9
386.81293	1.6
457.78076	1.7
483.30939	5.3
501.32397	9.7
519.33118	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04660	1.0
59.01371	1.3
61.98826	1.3
69.23055	5.4
78.95898	2.7
80.02705	1.3
81.03463	1.7
83.05042	5.0
92.10695	0.8
95.05077	0.8
98.22617	1.5
111.08170	2.6
125.09778	1.4
151.11292	1.7
152.99586	4.0
153.12872	4.0
155.10791	0.9
163.11342	4.5
165.12852	3.9
167.82327	1.2
169.12437	1.0
169.75388	0.8
181.12363	3.8
197.11859	2.5
199.13393	2.4
207.10373	1.9
207.13882	1.9
209.11832	60.9
210.12245	1.5
225.11372	1.7
225.30783	1.0
227.12909	17.6
228.13597	1.3
243.12306	3.7
247.20616	5.2
255.04666	1.1
263.20142	1.2
273.18573	1.9
281.21249	1.5
283.12982	0.9
291.19662	35.2
309.20709	100.0
310.21075	2.8
319.03156	1.0
339.13647	1.3
347.00772	1.1
373.23886	1.2
439.32108	1.2
483.30957	4.9
501.32562	4.4
519.33093	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.0
71.05016	1.4
78.95916	2.0
97.02942	2.1
97.06571	0.8
99.00880	10.0
109.06592	1.2
110.03743	0.7
123.08148	0.7
125.09694	2.6
130.46791	0.6
133.73801	0.7
152.99559	2.9
155.14389	0.8
163.11288	4.0
181.12329	10.6
185.11839	0.7
199.13409	6.0
207.10260	23.3
209.11865	1.0
225.11314	37.1
226.11749	1.0
227.12820	0.9
243.12358	100.0
244.12668	1.5
291.19736	1.2
293.21274	1.5
309.20676	1.7
355.76578	0.7
519.33246	5.9
548.03729	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40688	0.9
53.92185	0.8
59.01375	30.9
60.01714	1.5
61.98827	100.0
62.35716	1.1
67.01878	1.9
69.40642	3.7
71.01379	16.5
72.01686	1.2
73.02959	5.8
73.43301	1.0
75.00876	1.0
79.45118	1.1
81.03491	1.2
83.01359	1.4
84.67541	0.9
85.02941	9.7
88.98783	2.3
89.02434	21.1
91.71857	1.1
92.39020	0.8
93.03440	1.6
95.01402	1.2
97.02917	1.1
99.00863	4.0
101.02436	13.1
102.02808	1.4
109.02935	2.8
111.00912	1.9
113.02429	5.9
113.10958	1.0
116.92862	1.5
119.03470	2.7
121.02938	2.3
125.02415	2.9
127.04012	4.4
128.04340	1.2
131.03479	3.0
133.02956	16.8
134.03694	2.2
135.04510	30.8
147.04489	3.6
148.04951	1.4
149.04556	7.2
149.06078	3.0
155.03429	1.8
161.02431	80.5
161.04578	3.5
162.02788	1.7
165.09207	2.6
173.04506	4.7
177.05545	8.8
179.03479	36.7
189.09818	0.9
191.05569	5.4
195.06470	0.9
203.03398	1.5
221.04541	17.9
221.06563	1.1
251.05553	14.2
269.08224	1.4
270.08453	1.6
281.06650	28.2
287.07596	1.1
313.06781	1.0
323.07635	4.3
341.08722	34.9
345.15482	9.6
346.15814	10.5
383.09824	37.9
384.10339	1.6
397.11252	2.4
439.12408	3.5
441.16565	1.1
457.13422	20.8
460.18298	1.2
519.20837	3.1
520.21222	9.6
521.13074	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29293	1.2
57.03452	1.5
59.01382	20.0
60.21247	1.2
61.98829	11.3
67.01888	3.7
69.03453	3.3
69.13432	6.1
69.13836	3.0
69.82665	1.3
71.01386	16.0
72.01707	1.3
73.02953	4.0
81.03450	2.1
83.01392	2.1
85.02958	6.7
88.98804	1.2
89.02451	6.8
91.08730	1.4
93.03466	13.3
94.03789	1.2
95.01406	1.9
95.62136	1.4
97.02984	3.6
98.21913	2.2
99.00857	3.2
101.02464	7.5
111.00886	2.5
111.04527	2.0
113.02460	3.2
117.03459	11.2
119.03534	2.7
119.05023	5.7
123.04527	2.9
125.02469	2.6
126.02927	1.3
131.03424	1.7
133.02974	16.2
134.03493	1.7
135.04521	12.6
137.02455	2.8
142.01648	3.1
145.02946	28.1
146.03282	1.7
147.04568	1.8
149.04472	1.5
151.00287	1.7
155.03513	2.8
161.02449	42.1
161.04550	1.6
161.06097	1.6
162.02805	10.6
163.04016	3.0
164.04419	1.7
173.04564	43.0
174.04907	9.0
177.01978	2.5
177.05579	1.4
179.03484	8.0
183.10240	2.5
184.10629	2.4
185.11823	2.6
191.05638	5.2
209.11821	5.4
227.12840	3.7
268.03723	13.5
269.04483	10.9
281.06906	1.5
284.03281	13.7
285.04059	34.6
286.04404	3.6
296.06128	100.0
296.56320	19.9
301.11194	1.8
323.07370	1.6
347.16980	5.7
357.15662	8.3
358.15948	12.6
365.57956	2.7
394.12137	2.4
431.09705	2.6
435.32394	1.6
447.09262	7.5
484.12186	1.4
519.24908	7.8
519.31860	2.2
520.14734	10.3
520.25128	12.0
521.26294	2.5
521.33081	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	520.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71911	0.3
52.17364	0.3
56.90629	0.3
59.01381	4.4
61.98830	100.0
63.82098	0.3
69.34396	0.3
69.34673	1.6
71.01382	3.3
73.02946	0.7
83.01393	0.4
85.02974	1.1
88.98797	1.6
89.02443	2.3
93.03471	1.1
95.01405	0.4
101.02450	2.1
113.02465	0.8
119.03555	0.7
119.05045	0.5
133.02992	0.8
133.06638	0.4
134.03749	0.4
134.06154	0.3
135.04550	1.5
137.02472	0.4
143.04691	0.4
144.44016	0.3
145.02940	0.5
149.04590	0.6
151.00406	0.5
153.05606	1.1
161.02412	1.6
161.04568	0.5
173.04584	0.8
174.75774	0.3
175.04079	0.4
179.03519	1.0
179.05612	0.3
191.05623	1.2
192.06105	0.4
202.10660	0.3
227.03578	0.4
255.03041	1.2
256.03714	0.4
283.02588	0.4
284.03262	22.1
285.04114	0.7
295.09293	0.4
299.05600	30.7
307.08102	0.4
308.07291	0.5
358.26968	0.5
447.09552	0.4
478.83438	0.4
519.31934	1.3
520.15771	0.4
520.25372	0.5
520.32251	1.9
521.16791	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.268
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70150	0.2
61.98830	0.4
66.88160	0.2
69.26475	1.4
78.95901	43.2
96.96964	5.9
138.73486	0.2
144.80289	0.2
150.98004	1.4
152.99585	100.0
153.99960	0.6
171.00653	3.2
279.23257	0.9
433.23572	25.4
434.23785	1.1
520.26758	6.4
520.32428	0.3
521.26849	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52095	0.5
54.33799	0.4
54.77670	0.5
59.50780	0.4
61.98821	1.2
71.05621	0.5
78.14217	0.4
78.95901	44.1
96.96968	5.5
150.98026	1.9
152.99586	100.0
153.99872	0.9
171.00667	4.9
279.23331	0.5
300.36545	0.4
433.23581	23.4
434.23962	1.2
474.68808	0.5
520.26782	6.7
520.33948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3406
Annotation	CHEBI:131658
Peak:m/z	Relative Intensity
50.29800	0.6
51.03132	0.6
51.39873	0.5
53.58403	0.6
56.40438	0.6
61.98824	0.8
64.92849	0.6
69.14766	3.9
90.71463	0.6
99.49788	0.7
152.99583	1.3
177.09265	1.4
181.24716	0.7
192.78784	0.6
192.98595	0.6
197.09912	0.6
250.91692	0.6
284.42648	0.7
389.96259	0.6
455.28806	1.0
455.35272	20.4
456.35757	1.0
520.34064	100.0
521.34271	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	520.3406
Annotation	CHEBI:131658
Peak:m/z	Relative Intensity
57.22062	0.9
61.98821	0.9
63.28305	0.9
81.26330	1.0
103.36059	0.9
136.92082	0.9
152.99602	2.2
211.76189	1.2
234.52660	0.9
352.94562	1.1
438.30594	1.1
455.35379	13.6
520.34052	100.0
521.34631	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	521.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45743	0.5
58.39493	0.6
59.01375	14.3
60.99307	15.9
71.01384	7.4
73.02954	1.5
83.01377	0.9
85.02943	1.4
87.00861	0.5
88.98803	100.0
89.02436	8.7
96.55488	0.7
98.22690	1.3
99.00903	0.9
101.02457	4.5
109.02904	0.7
113.02466	2.9
119.03481	3.7
132.76268	0.6
133.03004	1.5
135.04495	2.3
140.02179	0.7
143.03497	0.7
149.04459	0.7
161.02435	2.2
161.04478	0.7
173.04535	1.3
179.03528	2.3
179.05573	0.9
194.43030	0.6
205.04822	0.6
266.05792	0.6
268.03867	0.7
268.15707	0.5
283.09723	2.7
311.09250	5.8
326.11502	3.7
341.13852	6.1
389.21249	0.6
459.81503	0.6
461.71780	0.6
464.50446	0.6
520.24951	1.3
521.25360	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	521.13
Annotation	Salviaflaside
Peak:m/z	Relative Intensity
56.33471	0.5
57.54589	0.6
59.01381	5.7
71.01381	4.7
72.65875	0.5
73.02952	1.5
85.02971	2.1
89.02455	3.7
93.03478	1.6
99.00875	1.4
101.02423	3.6
106.94192	0.5
109.02960	2.4
109.06585	0.6
113.02426	1.1
119.33066	0.5
123.04597	0.5
125.02450	0.7
131.03494	0.6
132.02142	1.2
133.02959	18.8
134.03789	2.8
135.04529	100.0
136.04901	1.8
137.02454	19.8
141.16026	0.5
145.02953	1.3
149.04556	1.4
152.04822	0.8
155.03429	0.7
161.02446	65.9
162.02829	0.9
165.05449	1.0
173.04532	0.6
177.05551	1.5
179.03499	16.1
182.05812	2.1
191.05527	0.6
197.08186	1.2
221.04549	2.7
263.05563	0.7
280.05942	0.7
307.08163	0.9
310.39099	0.7
323.07724	27.0
347.16788	1.7
359.09882	3.5
459.13068	4.0
461.10889	3.1
461.19891	1.1
503.11624	1.4
520.24365	1.5
521.12671	34.7
521.23547	2.7
522.12585	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	521.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54164	0.7
51.45611	0.7
51.88317	0.8
55.01870	2.5
57.03445	2.4
58.00574	1.0
59.01380	64.5
61.98837	1.7
67.01877	1.3
68.99794	2.2
69.03455	2.2
69.44846	3.0
71.01383	53.8
72.99299	1.0
73.02950	16.2
75.00882	2.0
75.20801	0.8
80.84212	0.8
81.03474	0.8
83.01382	5.9
85.02953	18.5
87.00880	4.1
89.02448	40.5
89.03008	1.9
93.03458	3.7
95.01396	5.0
97.02962	3.8
99.00890	11.4
99.04475	0.9
99.84390	0.8
101.02451	39.0
102.02760	1.3
103.38162	0.7
105.03473	0.8
105.16998	0.8
109.02938	0.9
111.00893	2.1
111.04510	1.1
113.02452	18.6
115.03996	2.0
117.03481	12.7
119.03501	7.5
119.05029	8.7
121.02986	1.4
122.03739	1.7
123.04512	1.5
125.02472	4.4
131.03519	7.2
132.02179	1.3
133.02957	29.4
134.03755	21.7
135.04544	24.6
137.02428	2.4
143.03477	2.9
145.02962	56.7
146.03421	1.0
149.04562	11.3
149.06075	19.8
150.03242	17.0
153.53175	0.8
155.03500	3.3
159.03041	1.2
159.04642	0.7
161.02451	85.4
161.04395	7.0
162.02859	1.6
163.04016	9.6
165.05573	21.9
166.05827	0.9
173.04533	7.8
173.06026	1.2
175.04021	1.1
177.05585	3.1
179.03490	14.2
179.05557	1.5
188.68396	0.9
191.05638	7.9
197.04646	0.9
203.03502	1.1
209.15463	1.8
221.04579	2.2
227.16524	3.1
233.06689	2.6
293.08826	1.7
307.08228	32.3
308.08493	1.2
323.07684	29.1
324.08176	1.5
347.17175	4.8
371.20776	1.2
389.21817	28.2
390.22128	1.4
461.20251	9.1
483.24756	1.0
503.24997	1.3
521.16626	74.5
521.25922	100.0
522.17438	4.2
522.25909	4.3
537.59833	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1662
Annotation	Marinoid C
Peak:m/z	Relative Intensity
50.00353	0.3
51.26976	0.3
57.03435	0.9
59.01379	13.7
59.60836	0.4
61.98836	0.5
69.03452	3.9
69.42270	1.3
70.82119	0.4
71.01381	8.4
73.02965	2.4
81.02094	0.4
81.03476	0.4
83.01374	0.6
85.02934	3.1
87.00864	0.7
87.37382	0.3
88.98814	3.6
89.02444	6.5
93.03457	3.0
95.01370	0.5
95.05006	0.7
98.22641	0.7
99.00902	1.3
99.04557	0.5
101.02437	6.5
107.01422	0.3
113.02450	2.6
117.03473	4.0
119.03564	1.6
119.05025	61.0
120.05373	1.5
121.02982	0.6
121.06609	1.1
125.02442	1.9
133.02953	1.1
133.06573	1.3
135.04507	3.7
137.02460	0.8
141.81158	0.4
143.03516	0.5
145.02951	17.0
146.03380	0.4
149.04518	0.7
151.00357	0.5
151.07661	2.0
152.07172	0.6
155.03499	0.5
159.03098	0.4
161.02448	3.6
161.04564	1.6
161.05841	0.4
163.04005	100.0
164.04330	2.4
173.04552	3.5
177.01955	0.9
177.05583	1.2
178.02335	0.5
179.03516	1.3
179.05571	0.7
181.40355	0.4
183.10326	0.6
191.05557	2.3
195.06604	0.6
221.04343	0.4
227.07060	0.5
227.12810	0.4
233.06555	0.4
235.06123	0.9
265.07196	1.0
269.04462	0.4
281.09125	0.4
284.03241	4.9
285.04034	1.0
286.04312	0.5
296.56079	0.9
299.05591	5.3
347.17114	1.0
357.11813	0.5
359.28180	0.5
375.12921	4.3
389.21725	1.7
425.19333	0.9
425.69263	0.5
449.10385	0.4
453.99731	0.4
478.23602	1.7
521.20947	1.5
521.28033	1.9
521.32886	2.4
522.18243	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	521.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09182	0.4
57.03446	0.4
59.01378	11.6
60.99304	0.5
61.98813	0.4
69.03461	4.1
71.01383	7.5
71.40353	0.4
73.02950	1.5
81.03453	0.8
83.01379	0.9
85.02947	2.3
87.00887	0.6
88.98809	2.4
89.02452	5.4
93.03462	2.0
94.27122	0.4
95.01355	0.5
98.21854	0.9
99.00886	1.5
99.04498	0.8
101.02449	4.0
113.02435	2.9
117.03469	5.1
119.03558	1.7
119.05028	59.8
120.05375	1.1
121.06586	1.2
125.02462	1.8
126.81099	0.4
133.02979	1.2
133.06572	1.4
135.04503	1.8
137.02493	0.5
143.03491	0.4
145.02954	15.5
149.00859	0.4
149.04500	0.7
151.07628	1.5
152.07179	0.5
155.03522	0.6
161.02458	2.5
161.04533	1.0
161.06009	0.7
163.04012	100.0
164.04369	2.7
173.04568	3.2
177.05573	1.0
178.02335	0.5
179.03503	1.3
183.10265	0.5
191.05623	1.4
195.06627	0.7
196.65845	0.4
235.06245	0.7
249.84532	0.5
265.07205	1.4
269.04465	0.6
284.03366	2.6
285.03906	1.2
299.05560	2.9
315.12546	0.7
347.17001	0.9
357.12070	0.5
359.27927	0.7
375.12875	3.6
389.21674	1.7
477.17261	0.6
477.24152	0.6
478.23502	0.9
521.20996	1.7
521.26251	3.5
521.33282	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	521.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.8
59.01379	7.4
60.99283	0.4
67.01891	3.9
68.17216	0.4
69.03446	1.2
71.01382	7.8
73.02932	0.5
77.00623	0.4
78.11659	0.3
81.03480	0.7
83.01376	0.6
83.05006	0.8
85.02943	1.4
87.00871	0.6
89.02444	4.4
93.03458	21.2
97.02976	0.7
99.00862	0.9
101.02444	1.5
109.02972	1.0
111.00883	1.3
111.04513	5.0
113.02429	0.6
118.34599	0.3
119.03454	0.3
121.02947	3.1
124.02813	0.4
125.02466	2.4
127.04034	0.7
131.03491	0.8
133.02945	0.9
135.04514	1.2
137.02444	4.0
138.02606	0.3
141.49307	0.4
143.03497	0.4
149.04547	0.9
155.03497	4.8
161.02444	1.4
173.04547	100.0
174.04877	1.3
177.01942	0.7
179.03441	0.6
183.13660	0.4
185.11823	25.2
186.12210	0.5
191.05598	1.2
200.38449	0.3
211.13651	0.4
227.07101	0.5
231.45677	0.4
233.06662	1.6
284.03287	0.6
293.08783	1.7
359.17093	61.5
360.17526	2.2
371.14630	0.6
521.19702	0.5
521.33240	1.8
537.81866	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
57.03451	0.5
58.00586	0.6
59.01378	100.0
59.31184	0.5
60.01709	0.9
69.12636	3.9
71.01381	53.7
72.99300	1.6
73.02953	7.3
83.01391	1.6
85.02941	7.0
87.00866	2.8
89.02443	79.7
90.02775	0.6
93.03448	1.0
95.01399	2.6
97.02930	1.1
98.21820	0.9
98.53317	0.5
99.00873	9.3
101.02441	33.7
108.02151	1.1
109.02946	1.5
113.01701	1.1
113.02451	17.5
119.03508	25.1
121.02938	1.1
122.03760	1.1
123.04501	1.4
125.02431	2.0
131.03496	8.7
133.02917	1.6
134.03735	1.6
135.04529	17.0
137.02400	0.9
143.03494	5.6
149.04558	21.6
149.05815	1.0
153.09155	1.8
159.04439	1.9
160.05321	4.7
161.02429	6.9
161.04520	5.1
161.05995	1.5
163.03885	0.6
171.04523	0.8
172.05263	2.4
173.04559	1.4
173.06020	1.9
173.81860	0.5
175.07669	1.3
179.03439	6.7
179.05559	11.2
180.05589	0.6
182.32632	0.5
187.07623	0.8
189.05606	4.7
190.06343	4.5
191.05659	5.2
191.46979	0.5
205.08646	4.1
209.15227	0.6
221.06555	0.6
251.07578	2.5
281.08051	1.3
296.10336	2.9
311.09747	0.5
311.12820	3.6
326.11319	0.8
329.13684	1.9
341.10147	1.1
341.13931	16.0
342.13965	1.0
345.37314	0.6
389.21521	1.3
461.19861	1.3
503.18729	1.7
521.16693	7.2
521.25568	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2029
Annotation	(7S,8R)-Dehydrodiconiferyl alcohol 9-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01871	2.2
57.03445	1.1
59.01379	48.2
61.98843	1.3
69.03461	6.6
69.47775	4.0
70.88631	0.8
71.01384	29.9
71.43694	0.7
72.10571	0.7
72.99323	1.3
73.02949	11.2
75.00869	1.1
83.01383	5.7
84.59554	0.7
85.02953	11.0
87.00876	5.4
88.98801	1.3
89.02447	19.8
93.03458	2.5
95.01396	2.7
95.05035	2.0
97.02934	2.3
98.21880	0.9
99.00877	8.7
101.02435	20.6
107.04971	0.9
109.02969	1.4
111.00869	1.7
113.02454	12.3
117.03468	2.8
119.03515	4.9
119.05000	4.4
121.02975	4.2
125.02446	1.8
131.03490	2.3
132.32022	0.8
133.02945	3.2
135.04514	3.1
136.01672	1.5
143.03552	1.7
145.02953	18.0
146.03740	2.6
149.04578	5.2
149.05733	0.8
151.04018	1.8
151.07664	1.2
153.01904	0.8
159.04515	1.6
161.02457	9.6
161.04568	2.5
161.06076	3.5
163.04039	5.4
164.04779	2.1
167.05339	0.8
167.29900	0.8
169.08699	1.3
173.04543	2.2
177.05649	1.3
179.03438	2.2
179.05727	1.5
179.07166	3.6
187.69835	1.0
191.05598	7.5
197.04599	1.8
205.05045	2.5
213.07645	2.7
227.16539	1.9
233.06725	1.1
238.06459	1.1
240.04233	1.0
254.05600	0.9
255.06630	1.3
267.06610	2.0
268.07324	2.9
269.08157	3.0
269.14023	2.0
269.17551	1.9
270.08862	2.5
275.07486	0.9
280.07324	1.1
281.08203	8.4
282.08939	6.1
283.09866	6.0
284.10193	1.0
293.08374	2.8
295.09750	3.2
296.10538	2.8
297.11243	0.9
299.09219	3.4
300.09833	1.0
309.11374	1.3
311.09311	3.3
312.09940	1.4
313.10660	1.6
314.11511	6.9
315.12347	3.1
326.11697	8.0
327.12421	6.8
329.13892	9.9
341.08862	2.3
341.13950	7.5
343.11871	2.1
355.11890	4.9
357.13409	1.5
359.14258	1.1
359.20535	1.2
369.13510	1.7
385.15100	1.2
389.21530	4.7
401.21939	5.6
427.73865	0.9
456.67902	0.8
461.14606	1.6
473.14706	6.4
476.16971	8.6
477.17679	0.9
488.16748	6.2
491.19244	100.0
492.19525	8.3
503.19226	94.6
504.19791	6.3
521.16620	21.1
521.25946	32.4
522.17212	1.8
522.26367	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	521.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.2
57.03445	1.1
59.01379	48.2
61.98843	1.3
69.03461	6.6
69.47775	4.0
70.88631	0.8
71.01384	29.9
71.43694	0.7
72.10571	0.7
72.99323	1.3
73.02949	11.2
75.00869	1.1
83.01383	5.7
84.59554	0.7
85.02953	11.0
87.00876	5.4
88.98801	1.3
89.02447	19.8
93.03458	2.5
95.01396	2.7
95.05035	2.0
97.02934	2.3
98.21880	0.9
99.00877	8.7
101.02435	20.6
107.04971	0.9
109.02969	1.4
111.00869	1.7
113.02454	12.3
117.03468	2.8
119.03515	4.9
119.05000	4.4
121.02975	4.2
125.02446	1.8
131.03490	2.3
132.32022	0.8
133.02945	3.2
135.04514	3.1
136.01672	1.5
143.03552	1.7
145.02953	18.0
146.03740	2.6
149.04578	5.2
149.05733	0.8
151.04018	1.8
151.07664	1.2
153.01904	0.8
159.04515	1.6
161.02457	9.6
161.04568	2.5
161.06076	3.5
163.04039	5.4
164.04779	2.1
167.05339	0.8
167.29900	0.8
169.08699	1.3
173.04543	2.2
177.05649	1.3
179.03438	2.2
179.05727	1.5
179.07166	3.6
187.69835	1.0
191.05598	7.5
197.04599	1.8
205.05045	2.5
213.07645	2.7
227.16539	1.9
233.06725	1.1
238.06459	1.1
240.04233	1.0
254.05600	0.9
255.06630	1.3
267.06610	2.0
268.07324	2.9
269.08157	3.0
269.14023	2.0
269.17551	1.9
270.08862	2.5
275.07486	0.9
280.07324	1.1
281.08203	8.4
282.08939	6.1
283.09866	6.0
284.10193	1.0
293.08374	2.8
295.09750	3.2
296.10538	2.8
297.11243	0.9
299.09219	3.4
300.09833	1.0
309.11374	1.3
311.09311	3.3
312.09940	1.4
313.10660	1.6
314.11511	6.9
315.12347	3.1
326.11697	8.0
327.12421	6.8
329.13892	9.9
341.08862	2.3
341.13950	7.5
343.11871	2.1
355.11890	4.9
357.13409	1.5
359.14258	1.1
359.20535	1.2
369.13510	1.7
385.15100	1.2
389.21530	4.7
401.21939	5.6
427.73865	0.9
456.67902	0.8
461.14606	1.6
473.14706	6.4
476.16971	8.6
477.17679	0.9
488.16748	6.2
491.19244	100.0
492.19525	8.3
503.19226	94.6
504.19791	6.3
521.16620	21.1
521.25946	32.4
522.17212	1.8
522.26367	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	521.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58332	6.9
52.01907	6.4
59.01386	54.5
61.98825	10.7
70.76774	9.9
71.01398	49.2
71.66190	5.9
72.57062	6.2
73.02963	20.1
82.95402	8.5
85.02967	26.4
87.00893	9.6
89.02438	21.1
93.03442	9.2
95.56944	6.8
99.00910	10.4
101.02473	30.7
104.67593	7.7
113.02457	11.1
116.92850	14.9
133.02953	33.3
134.03723	16.3
135.04541	15.7
137.02478	13.1
145.18492	7.7
149.06065	10.9
161.02428	21.6
161.04529	10.5
173.04538	23.6
177.01920	21.2
178.02702	17.5
179.03574	9.6
187.04099	8.2
191.05595	19.3
211.13449	19.0
284.03308	18.8
299.05640	14.4
327.16525	9.4
345.16974	24.9
346.58920	6.6
347.16891	8.2
359.17502	8.4
363.52948	6.8
389.16019	8.1
398.71848	6.3
424.13513	8.0
461.23898	10.6
485.23840	100.0
486.24347	9.6
521.21802	86.8
521.34064	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28093	1.8
55.01859	3.3
57.03441	2.5
59.01115	2.9
59.01379	33.4
69.27336	7.9
71.01015	2.2
71.01376	26.2
73.02946	12.8
83.01363	7.7
83.05019	2.2
83.59811	1.7
84.36407	1.9
85.02953	20.1
87.00881	3.4
89.02451	4.1
93.03448	9.1
95.01364	3.4
99.00860	2.5
101.02442	33.3
104.66298	1.9
105.42691	1.8
111.04498	5.5
113.02431	13.9
155.03490	7.7
159.02893	2.3
161.02368	3.3
161.04510	3.4
173.04573	24.3
179.03247	2.2
185.11850	3.3
205.40799	2.4
291.64914	1.9
315.40125	1.9
334.62259	2.2
347.17108	100.0
348.17596	3.5
521.14331	3.7
521.22302	73.2
522.22589	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	521.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.8
57.02996	0.3
57.03452	1.7
59.01381	9.3
60.99301	0.5
67.01886	5.1
69.03462	1.6
69.12712	1.1
69.13131	1.1
71.01379	8.6
73.02948	3.2
81.03471	1.0
82.86199	0.4
83.01391	1.9
83.05032	1.1
85.02955	3.9
86.00093	0.5
87.00889	0.6
89.02456	1.1
93.03459	35.6
94.03833	0.4
95.01423	0.8
99.00905	0.7
101.02451	5.9
109.02978	1.1
111.00896	1.4
111.04520	6.2
113.02451	2.0
133.83574	0.3
137.02448	5.5
155.03506	5.3
161.04617	0.4
173.04547	100.0
174.04919	1.3
185.11845	0.7
191.05402	0.4
194.10950	0.3
240.32343	0.4
278.86844	0.3
331.35941	0.3
347.17096	26.0
348.17361	1.0
382.95383	0.3
389.21533	0.5
521.22272	24.6
522.22791	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	521.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32622	1.4
52.17054	1.1
55.01887	1.8
58.00589	1.7
59.01380	98.5
60.56573	1.2
61.27490	1.4
61.98827	2.9
65.41701	1.1
69.03456	4.8
71.01382	79.1
72.99314	1.4
73.02957	8.3
81.03445	2.5
83.01390	4.8
85.02962	9.5
87.00877	3.5
89.02442	100.0
93.03474	4.4
96.90662	1.2
97.02944	6.7
99.00885	5.0
99.04514	3.2
101.02446	21.7
109.02950	1.2
111.00888	4.4
113.02450	12.5
115.03952	1.9
119.03491	4.3
121.02959	40.2
125.02444	25.5
131.03505	26.5
133.02914	3.1
134.03787	2.5
135.04497	10.5
143.03505	2.8
149.04541	43.7
151.00359	3.2
161.02422	5.6
161.04530	1.5
167.10768	88.1
167.73972	1.2
168.11145	2.3
173.04504	7.3
177.01999	1.2
177.05624	1.4
179.03494	4.2
185.11923	1.6
191.05640	14.8
227.07086	2.9
233.06638	8.9
283.55750	1.5
285.03976	2.8
287.05612	1.9
293.08783	66.2
296.06250	1.6
297.12314	1.4
299.05661	1.7
315.13443	1.4
345.17145	1.7
359.17255	2.6
371.15103	1.6
459.15506	1.7
461.20142	3.2
521.32904	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.1
61.98819	1.0
71.43629	0.9
71.83287	0.9
78.95898	23.7
86.65401	0.7
95.04995	0.7
95.26250	0.8
96.96957	1.0
97.06566	0.7
97.58742	0.7
98.30000	0.8
113.09723	2.7
114.10087	1.1
118.51714	0.9
120.64720	0.7
130.80925	0.8
152.99586	17.5
168.04324	3.3
171.00648	2.4
179.14404	2.0
180.14662	0.8
181.12248	1.3
192.65089	0.8
195.13884	26.7
196.14281	11.5
205.16019	1.4
223.13391	7.2
224.06956	1.8
227.03308	1.3
230.78534	0.9
242.08002	4.5
243.08372	0.8
245.04280	2.6
256.13135	0.9
275.20200	4.7
277.21704	8.8
278.22040	14.6
293.21210	81.0
294.21594	2.7
295.22760	67.4
296.23105	100.0
297.23615	1.7
299.05640	1.4
356.36707	0.8
520.30579	4.3
521.25092	52.9
521.31073	27.9
522.25354	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	521.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15065	0.6
58.39772	0.6
59.01436	0.9
61.98891	0.6
65.65784	0.5
69.30126	1.1
69.30542	2.4
78.95967	0.9
84.31516	0.5
93.29681	0.7
96.96096	0.8
119.88918	0.5
121.14831	0.6
152.99864	0.7
181.12572	0.7
185.11890	0.8
196.89540	0.7
199.13530	1.3
207.10413	2.1
211.13515	1.0
225.11366	3.0
227.13000	0.7
243.12518	2.1
279.23358	1.9
291.19830	2.0
293.21341	0.7
293.25055	1.2
295.22842	0.8
295.55502	0.6
316.91876	0.6
439.32150	100.0
440.32635	4.8
521.32507	55.1
522.32861	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	521.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51266	0.5
59.01433	1.5
61.98897	1.1
69.52376	2.3
71.05105	1.1
78.95972	0.8
84.41180	0.6
97.03058	3.0
98.22584	0.7
99.00884	7.3
99.30581	0.6
110.03826	1.1
110.98598	0.6
111.08330	0.6
125.09837	2.4
135.08296	0.8
136.05437	0.8
136.51891	0.6
155.14566	0.9
163.11288	4.2
168.34198	0.8
181.12341	11.5
185.11938	1.2
195.14037	1.6
196.89572	1.3
199.13383	5.5
207.10265	23.4
211.13530	1.2
225.11317	38.2
226.11731	1.0
243.12360	42.4
277.21790	2.2
279.23315	3.1
291.19818	1.9
293.21484	0.7
293.25006	1.0
295.22781	13.2
439.32147	100.0
440.32495	7.0
447.25574	1.1
453.33737	3.4
521.33350	74.2
522.33801	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	522.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23643	0.6
52.85795	0.7
59.01377	7.3
59.78483	0.6
61.98830	43.8
69.03423	0.8
71.01379	4.2
73.02928	1.2
77.74538	0.6
85.02952	1.3
88.98815	2.8
89.02436	4.7
101.02455	3.0
107.05015	1.3
109.52748	0.6
111.00861	1.3
113.02429	1.6
117.03443	0.7
119.03493	1.2
133.02957	8.4
134.03777	3.6
135.04530	63.8
135.06583	1.5
136.04848	1.3
138.01915	0.7
145.02995	0.6
149.04567	0.8
151.03957	0.8
154.29514	0.6
161.02448	36.5
162.02791	0.7
179.03496	54.4
180.03954	1.6
191.05574	1.8
201.91061	0.6
448.71539	0.6
459.15060	100.0
460.15356	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	522.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66380	0.6
57.03421	0.8
59.01378	14.3
60.01710	0.5
61.98827	1.3
69.03447	1.2
71.01382	9.7
71.44361	0.7
72.01705	0.6
73.02944	2.3
83.01422	0.7
85.02945	2.6
87.00894	0.8
89.02444	8.0
97.02983	0.9
101.02447	7.7
113.02459	4.3
119.03541	3.8
122.22954	0.5
123.03275	9.9
125.02448	1.8
131.03513	0.8
135.04567	0.7
138.02023	1.5
138.05612	100.0
139.05988	1.1
143.03502	1.8
152.07124	0.8
158.54361	0.6
159.02917	0.7
161.02477	1.2
161.04575	2.0
179.05658	2.2
180.06671	2.7
183.43298	0.6
191.05553	1.4
221.06715	2.3
263.07736	0.8
300.10831	1.4
323.09799	5.6
326.73642	0.6
462.16272	39.0
463.17096	2.2
511.03284	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
59.01376	6.7
61.98827	4.2
67.01895	0.7
69.03436	0.9
69.91068	1.5
71.01379	5.4
73.02965	1.0
83.01374	0.8
85.02950	2.1
88.98792	1.0
89.02431	2.2
93.03452	0.9
96.96027	0.7
97.02946	0.7
98.22556	0.8
101.02444	3.2
105.03429	0.7
105.38616	0.5
107.05055	0.7
113.02472	1.4
117.03451	1.0
119.03481	1.0
119.05058	0.5
119.08640	0.4
120.18819	0.5
123.04482	0.6
128.99648	0.4
130.68159	0.4
132.02153	1.5
133.02954	32.1
134.03726	1.4
135.04523	13.7
137.02463	0.6
137.09721	2.6
149.04613	0.5
151.55365	0.4
152.07202	0.8
155.03494	1.0
161.02441	100.0
162.02795	1.9
169.08717	0.9
173.04474	2.1
174.04909	0.9
175.05130	0.6
177.02065	0.6
178.02702	0.5
179.03485	8.6
180.03748	0.5
181.08691	8.4
191.05573	1.7
191.07179	0.4
220.52998	0.4
272.73337	0.4
281.06631	0.7
282.09595	0.9
286.03922	0.6
323.07623	0.7
343.11877	3.4
348.17297	0.5
349.17136	0.5
361.15146	1.7
361.29636	0.5
390.90833	0.4
401.81583	0.4
409.46140	0.5
447.17233	1.1
463.22113	0.6
477.23257	0.7
523.18109	71.9
523.34900	4.4
524.18286	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
55.94754	0.3
59.01379	10.1
61.98806	0.5
69.46300	1.2
71.01380	5.3
73.02935	1.0
83.01367	0.5
85.02943	1.6
87.00889	0.4
88.98801	0.6
89.02442	4.4
89.03960	0.5
93.03456	0.9
95.01434	0.3
99.00887	0.3
101.02448	4.0
105.03468	0.6
105.26352	0.3
107.05025	0.5
107.08637	0.4
113.02460	1.9
114.68130	0.3
117.03452	0.9
119.03513	1.1
123.04519	0.3
131.03552	0.4
132.02191	1.5
133.02959	32.2
134.03804	3.0
135.04524	30.0
135.05603	0.5
136.04832	0.4
137.02425	0.3
149.04550	1.1
149.05988	0.4
158.74838	0.3
160.01735	0.3
161.02440	100.0
162.02814	2.0
166.06294	0.8
173.04597	1.5
173.05873	0.3
175.19548	0.3
177.05487	0.4
179.03490	27.2
180.03830	0.4
181.08813	0.3
191.05649	0.6
221.04546	1.2
223.91437	0.3
236.71165	0.3
251.05600	0.3
281.06711	1.1
319.11877	0.3
331.17511	0.7
341.08713	0.4
348.82651	0.3
349.18719	0.4
361.15042	0.7
463.21860	3.4
493.17139	32.2
494.17642	2.3
505.17169	27.3
506.17410	1.6
523.18170	23.9
524.18713	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83066	0.4
52.69944	0.4
57.03456	0.9
59.01379	10.0
60.01732	0.4
61.98822	1.3
63.96232	1.2
64.09026	0.4
67.01873	0.8
69.03455	1.9
69.28422	0.4
69.28744	2.4
71.01009	0.9
71.01382	12.7
72.01741	0.5
72.99300	0.7
73.02954	2.9
74.02457	0.7
75.00877	8.1
78.98596	4.3
79.95283	0.7
79.95739	8.1
80.96516	52.9
81.03446	1.2
83.01383	0.7
83.05013	0.4
85.02938	4.6
87.00888	2.7
87.04504	0.9
89.02444	4.6
93.03458	4.5
94.03805	1.2
94.98093	12.6
95.01395	0.7
96.96012	0.6
97.02935	2.3
98.22613	0.9
99.00863	1.3
101.02434	5.3
106.98092	2.9
109.02969	1.3
111.00869	0.5
111.04501	1.0
112.04877	0.6
113.02441	2.1
119.03533	0.9
121.02967	1.6
122.02488	0.9
122.97597	4.8
125.02456	4.4
127.03983	0.7
133.01405	0.5
133.02936	1.4
134.03752	1.4
134.97586	4.1
135.04547	4.6
136.99147	1.1
137.02429	2.1
146.03714	2.9
146.97598	0.7
148.99142	4.8
152.98621	6.5
155.03499	0.5
155.10745	2.4
161.02438	5.0
161.04591	0.7
161.06093	1.1
164.04776	1.9
164.98633	8.8
165.05536	0.6
173.04558	11.5
174.04886	5.4
175.05035	3.1
177.01996	0.7
179.03513	1.2
179.05672	0.9
179.07088	4.1
179.10699	0.5
181.08716	0.6
182.99696	2.4
185.11877	2.3
186.12158	2.0
187.03951	0.6
187.12294	0.6
191.05609	1.4
193.05008	0.4
199.09761	2.5
206.99681	2.1
211.13353	0.5
223.13396	5.1
224.13751	2.3
225.00725	16.8
241.10826	0.8
243.01808	1.5
283.11896	1.3
285.03906	0.5
295.16104	0.4
299.04373	2.6
299.16443	1.0
309.14914	1.2
317.17538	1.0
327.16031	2.7
343.13937	0.5
345.17090	3.8
348.80280	0.5
349.18335	0.6
359.17108	2.5
360.17477	4.4
361.17685	6.6
361.29651	1.5
363.18179	0.5
426.14438	0.7
431.26324	0.6
448.21036	0.7
449.21414	2.4
449.27335	1.0
487.07431	0.5
522.33545	0.5
523.18542	100.0
523.34851	9.5
523.64716	0.9
524.18970	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	523.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43985	2.4
59.01378	91.6
61.98827	8.7
69.03446	3.0
71.01379	58.5
71.44463	3.7
73.02943	29.3
75.00876	5.6
85.02935	7.1
89.02443	100.0
99.00894	36.5
99.92592	5.5
101.02441	48.2
111.00874	6.1
113.02455	15.5
116.92863	84.4
117.01924	4.2
119.03484	5.5
125.02437	4.2
131.03526	19.2
132.02126	2.8
133.02962	18.5
135.04521	6.5
143.03464	2.7
147.04478	6.7
149.04550	66.1
149.05879	3.7
161.02452	17.9
161.04547	6.2
163.04002	2.8
165.05589	8.7
169.08737	3.2
177.01900	4.6
179.03485	11.6
179.05692	4.6
179.07132	4.6
191.05630	24.2
195.77104	2.9
221.04634	3.0
221.06703	6.7
251.07687	6.2
287.09235	4.5
311.09683	4.2
313.10721	3.5
334.13327	2.7
356.19894	2.7
463.17999	50.6
487.14508	30.8
491.17599	5.4
523.14178	7.2
523.20251	9.6
527.88110	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	523.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75367	0.6
55.01863	2.1
57.03443	1.8
59.01379	41.3
69.03472	1.0
69.30392	2.2
71.01382	28.4
73.02938	7.5
83.01388	3.5
85.02955	10.3
87.00858	2.5
88.98811	0.8
89.02444	20.0
89.47321	0.7
93.03470	4.1
95.01382	2.0
95.57240	0.6
97.02938	0.7
99.00883	3.7
100.16035	0.8
101.02441	19.1
109.02945	4.3
111.00879	1.3
113.02437	6.4
116.59663	0.7
119.03481	3.4
121.02957	9.7
122.03750	14.4
123.04530	1.4
125.02457	1.4
131.03485	4.8
133.02975	1.7
134.03761	1.1
135.04536	5.0
136.05293	1.7
143.03452	1.2
147.04546	5.7
148.05249	1.0
149.04567	9.1
149.05838	1.2
155.10866	1.1
161.02451	5.1
161.04538	2.7
161.06061	2.0
165.05574	21.7
173.04623	1.1
173.06047	0.9
175.07321	0.8
177.05540	1.0
179.03546	3.3
179.07089	6.3
185.78322	0.7
191.05627	2.5
191.07166	1.1
209.08290	1.0
221.04654	1.7
250.68591	0.8
251.05489	1.8
257.61719	0.7
281.06693	3.0
298.12207	1.4
313.14560	1.7
315.12357	1.7
328.13058	1.1
331.17654	1.7
341.08603	2.5
343.15549	4.9
346.14163	9.7
347.14896	2.1
361.16553	71.6
362.16858	3.0
458.09119	0.9
463.21829	23.3
464.22375	1.1
523.21851	100.0
524.22290	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	523.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34384	0.5
55.01885	2.5
56.66117	0.5
57.03450	1.4
59.01381	29.8
69.03505	0.6
69.41380	1.9
71.01382	19.9
72.99329	1.1
73.02942	5.0
81.08444	0.5
83.01398	3.8
85.02948	8.8
87.00903	1.7
88.98833	1.1
89.02449	10.7
95.01418	1.7
96.51868	0.5
99.00894	1.8
101.02446	14.8
101.03094	1.0
108.02194	0.8
109.02961	4.7
111.00894	0.9
113.02456	6.6
119.03514	3.0
121.02959	11.2
122.03748	15.0
123.04530	2.7
125.02478	1.9
129.01970	0.6
129.03445	0.8
129.31180	0.6
131.03510	0.9
133.02936	1.0
134.03786	1.2
135.04517	3.0
136.05295	1.9
136.75685	0.5
137.02516	0.6
143.03441	0.6
147.04543	5.9
149.04599	1.1
149.06105	1.5
149.99710	0.6
161.02467	4.0
161.04628	1.1
161.06088	2.3
162.06912	1.4
165.05576	21.9
168.00591	0.7
173.06128	1.0
175.07681	1.0
178.06419	0.6
179.03506	0.8
179.07108	6.4
190.06598	0.6
191.07150	0.7
192.08148	0.5
209.08203	1.2
223.09712	1.0
241.29070	0.5
281.06564	0.7
298.12167	1.6
301.10834	0.6
313.14468	3.3
315.12509	1.7
316.13309	0.9
328.13239	1.4
329.13858	0.6
343.15454	3.9
346.14282	10.0
347.14896	2.3
361.16559	80.4
362.16895	3.5
391.23309	2.0
432.56989	0.6
463.21814	4.2
465.24683	0.6
508.19733	0.9
523.21832	100.0
524.22162	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	523.2314
Annotation	Vielanin C
Peak:m/z	Relative Intensity
59.01365	20.8
61.98811	13.7
67.97729	3.9
69.38724	18.3
71.01385	28.6
73.02947	5.4
83.01343	4.1
85.02940	6.5
89.02435	12.6
96.92535	3.6
101.02466	21.0
105.03457	5.2
108.92831	3.8
109.02943	4.1
113.02472	8.8
115.00396	5.2
121.02950	5.5
125.02448	5.0
133.02975	27.0
134.03743	38.3
135.04498	15.3
137.02448	11.3
139.03963	4.7
151.00339	7.0
161.02423	7.5
173.04504	5.2
177.01860	19.3
178.02715	36.5
179.03363	4.5
191.05566	8.7
202.06618	3.8
211.13402	33.8
232.58218	4.7
254.01019	4.7
269.04416	5.1
280.59830	4.6
283.13513	3.8
285.03989	11.4
287.05786	4.4
299.16608	6.3
299.67532	4.2
312.63104	3.9
327.16000	16.2
345.17020	64.2
355.21216	7.5
366.77893	4.0
389.15958	21.9
487.25494	78.4
523.23254	100.0
523.32080	13.8
524.23712	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	523.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66345	8.1
57.13225	8.2
59.01374	33.0
59.11983	9.2
61.54155	8.6
61.98814	33.0
68.99793	14.2
69.03452	11.3
71.01358	48.5
73.80630	8.3
74.78830	8.4
77.68063	10.6
85.02939	13.1
88.98799	19.5
89.02418	18.4
93.03422	11.4
101.02412	23.2
133.02945	61.1
134.03758	86.7
135.04549	26.5
137.02423	31.9
160.58086	9.5
161.02312	15.9
177.01939	33.2
178.02678	55.0
191.05643	18.8
211.13422	48.7
229.05148	10.4
327.15805	17.6
345.17014	91.8
389.15988	32.8
487.25250	14.8
523.23090	100.0
523.33136	15.4
524.24133	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	523.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	21.9
61.98819	15.9
68.99809	4.8
69.55666	14.6
71.01367	20.8
74.55755	3.4
78.95911	4.2
85.02959	7.2
89.02451	6.8
98.22665	4.9
101.02429	14.9
104.47224	4.6
113.02454	5.9
115.00372	7.2
121.02951	4.6
133.02963	31.2
134.03738	51.8
135.04500	14.9
137.02432	11.5
151.00369	6.0
151.52736	3.4
153.01895	4.3
161.02383	5.5
177.01944	16.5
178.02728	32.0
179.03439	5.4
187.04059	5.2
191.05626	18.0
211.13437	23.7
248.08755	4.4
269.04547	7.5
273.12347	4.3
285.04056	9.4
327.15930	12.5
345.17065	63.5
355.21109	6.5
389.15961	19.9
487.25494	65.2
488.25919	4.5
523.15710	6.6
523.23169	100.0
523.32605	13.4
524.23145	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	523.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13818	0.8
55.01659	0.7
57.03414	0.8
59.01368	2.7
71.01392	0.9
71.03953	0.7
78.95902	10.4
113.09735	2.2
143.24358	0.8
152.99582	14.7
171.00612	1.2
195.13899	20.1
227.76830	0.8
245.04333	1.8
277.21710	15.9
295.22775	100.0
296.23212	1.7
437.76117	0.8
459.57132	0.7
487.34732	1.0
523.26715	56.4
524.26971	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	523.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13182	0.3
53.53410	0.3
55.01658	0.3
55.01874	2.8
57.03448	2.2
57.97294	0.3
59.01378	34.3
61.98820	2.0
68.99799	0.3
69.03461	1.4
69.24003	1.6
70.11024	0.3
71.01380	36.0
72.99290	0.8
73.02943	17.9
75.00877	1.3
80.35407	0.3
82.95401	0.5
83.01396	5.7
85.02946	15.9
85.50617	0.3
85.57663	0.3
86.00091	0.6
86.43496	0.3
87.00864	1.9
88.98819	0.5
89.02437	16.0
90.02780	0.3
93.03445	0.3
95.01399	3.2
97.02959	2.9
99.00880	7.7
99.04512	0.3
101.02441	32.7
102.02746	0.4
105.57591	0.4
111.00874	0.8
113.02450	13.7
113.03247	0.7
115.03993	1.5
116.92871	0.7
117.03548	0.5
119.03516	2.6
119.05014	1.0
121.02952	0.9
124.01665	1.1
125.02438	3.5
129.01953	0.8
131.03497	3.2
133.02962	1.5
134.03728	0.5
135.04515	1.4
143.03511	1.6
145.02943	0.8
149.04576	4.0
149.05739	0.6
155.03447	0.3
155.10796	3.3
159.02995	1.8
161.02492	4.9
161.04550	10.0
162.02789	1.1
162.04950	0.4
163.04037	0.4
165.05589	0.7
179.03430	0.7
179.05678	0.5
179.07135	0.8
191.05659	1.4
199.06111	0.7
199.09761	2.0
210.83446	0.3
226.03903	0.4
227.16481	0.7
229.18079	1.0
233.06599	1.4
265.40033	0.3
293.08850	1.0
323.07687	1.6
325.08307	0.5
331.17499	2.4
343.08011	0.4
361.11325	0.4
390.61499	0.4
391.15915	1.1
391.23355	23.1
392.23672	1.1
435.22260	1.9
463.21860	16.0
464.22031	0.8
491.17816	2.1
523.27533	100.0
524.27850	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	523.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18765	0.3
51.38926	0.3
51.70336	0.3
55.01884	3.8
57.03458	2.6
58.00594	0.5
59.01382	36.5
60.01710	0.4
61.98837	2.7
62.22618	0.3
69.03461	2.0
69.72388	0.4
71.01382	41.6
72.01676	0.4
72.99301	1.0
73.02948	20.3
75.00863	1.3
81.03444	0.7
82.95419	0.5
83.01390	7.3
85.02953	18.0
86.00102	0.5
87.00883	2.9
88.98785	0.6
89.02450	16.9
93.03455	0.4
95.01386	3.4
97.02958	3.0
99.00260	0.7
99.00883	9.4
99.04508	0.5
101.02445	36.9
109.02883	0.6
111.00877	1.5
113.02451	14.3
115.04009	1.5
117.03503	0.4
119.03496	2.4
119.05013	1.2
121.02972	1.0
124.01674	2.4
125.02464	3.1
129.01903	0.6
131.03520	2.8
133.02965	3.6
134.03799	1.9
135.04553	2.1
136.04904	0.6
137.09714	0.4
143.03529	1.6
145.02948	1.4
149.04538	3.3
149.06029	1.1
150.03304	0.5
150.52486	0.4
155.10797	2.6
159.02960	2.2
161.02470	10.4
161.04538	10.3
162.02757	2.7
163.02946	1.1
165.05571	0.6
173.04492	0.4
179.03520	1.6
179.07158	0.9
191.05574	2.1
199.06113	0.8
199.09734	1.7
227.16516	1.0
229.18082	1.2
233.06683	1.2
271.19208	0.5
293.08701	0.9
323.07599	2.7
324.08139	0.9
325.08218	1.4
331.17487	3.4
391.15900	0.8
391.23380	24.0
392.23557	0.8
435.22137	1.3
436.33124	0.3
463.21872	16.9
464.21893	0.7
491.17926	2.0
523.18420	5.8
523.27557	100.0
524.28003	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	523.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67821	0.2
54.59675	0.2
55.01880	2.5
57.03448	2.8
58.00589	0.4
59.01377	29.4
61.98826	1.2
65.35746	0.3
68.99797	0.3
69.03450	0.6
69.11948	1.4
71.01379	24.6
72.99319	0.7
73.02940	7.4
73.17680	0.2
75.00870	0.6
75.03408	0.2
81.03437	0.2
83.01388	3.8
85.02946	11.7
86.00068	0.3
87.00875	1.7
87.04512	1.0
89.02439	9.3
91.81920	0.2
93.03487	0.3
95.01385	2.3
97.02942	0.5
99.00876	2.2
101.02441	17.3
105.65927	0.2
111.00887	1.1
113.02452	9.6
115.03999	0.3
119.03500	3.1
119.04917	0.2
122.06078	0.3
123.48328	0.2
125.02427	0.6
127.07476	0.2
129.01938	0.5
131.03581	0.3
133.02925	1.3
135.04514	0.9
137.02419	0.2
143.03491	0.7
149.04591	0.3
150.03230	0.4
152.07166	0.4
155.10783	0.3
159.02963	1.2
161.02460	2.9
161.04535	3.0
163.03992	0.4
165.05573	0.7
169.12366	0.3
173.04555	0.5
179.03537	0.5
179.05617	0.9
180.06303	0.2
191.05623	0.6
195.06956	0.2
198.46854	0.2
201.15004	0.4
227.20210	0.3
251.20094	0.3
280.08710	0.2
281.21082	0.3
285.04019	0.6
301.02777	0.2
311.09479	0.2
315.25342	0.5
341.26669	0.3
345.26410	0.9
359.28064	1.7
361.29575	17.2
362.29861	0.7
385.41824	0.2
463.17255	0.4
475.17563	0.4
492.17578	0.3
521.33405	0.3
523.34857	100.0
524.20435	0.7
524.35217	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	523.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.3
57.03442	2.1
58.00591	0.9
59.01378	57.5
60.01717	0.6
61.98840	2.0
69.03451	1.2
71.01381	41.1
72.99316	0.9
73.02943	6.4
75.00881	0.6
83.01384	4.1
85.02952	12.8
87.00890	2.0
87.04523	0.9
89.02443	29.6
93.03491	0.9
95.01389	2.7
97.02958	1.1
98.21864	1.1
99.00867	2.4
99.33610	0.4
101.02440	28.2
102.68932	0.4
111.00879	0.6
113.02450	14.1
119.03496	12.4
125.02476	1.1
129.01909	0.5
131.03508	1.4
133.01474	0.5
133.02946	0.8
135.04552	2.0
143.03484	3.3
149.04594	1.2
153.12840	0.4
159.03023	0.8
159.04521	0.5
161.02472	2.7
161.04543	6.0
169.06638	1.3
173.04584	0.9
179.03555	1.1
179.05621	6.7
182.56503	0.4
187.07790	0.5
191.05559	1.0
201.14951	0.6
227.20158	0.5
273.24377	0.6
293.08722	0.6
305.71585	0.4
313.24005	0.4
345.17014	0.8
345.26505	1.1
359.28009	2.0
361.29562	26.4
362.29913	1.2
479.18268	1.1
523.34869	100.0
524.35205	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	523.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.3
57.03451	3.5
58.00588	0.4
59.01380	31.9
69.03443	0.6
69.17187	1.5
71.01383	25.4
72.99306	0.7
73.02945	7.4
75.00869	0.7
78.95899	0.3
82.66637	0.2
83.01393	4.0
85.02951	11.8
87.00880	1.4
87.04522	0.6
89.02448	11.5
95.01405	2.3
97.02948	0.6
99.00876	2.9
101.02447	19.4
109.02971	0.3
111.00893	0.8
113.02449	9.3
119.03503	4.0
123.08176	0.5
125.02457	0.9
127.11297	0.4
129.01968	0.5
131.03522	0.5
135.04510	0.7
141.09236	0.5
141.86899	0.2
143.03473	0.8
149.04530	0.4
152.07121	0.3
153.09288	0.3
159.02989	1.8
161.02403	1.0
161.04549	4.0
169.12349	0.3
171.13899	1.0
173.04680	0.3
179.03384	0.5
179.05588	1.3
181.05183	0.2
187.04155	0.3
187.13417	0.6
191.05566	0.6
197.36687	0.3
201.14949	1.2
217.14455	0.5
222.17497	0.2
285.03754	0.3
315.25381	0.7
345.17072	0.8
359.28107	1.5
361.29568	17.3
362.30051	0.9
399.59244	0.3
447.17093	0.3
463.29767	0.3
479.18137	0.5
523.34869	100.0
524.35272	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	524.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
61.98830	100.0
67.13753	0.2
69.19862	1.1
71.01391	0.9
75.28583	0.2
85.02959	0.4
88.98795	0.5
89.02456	0.9
99.04552	0.3
101.02468	0.7
113.02441	0.4
122.06107	1.2
127.26172	0.2
132.04518	0.4
133.02960	1.1
134.03453	0.3
135.04538	0.9
152.07181	2.3
158.02539	0.2
161.02455	4.1
161.04555	0.3
162.02808	0.7
179.02214	0.2
179.03430	1.1
180.03894	0.3
191.05670	0.7
205.01146	0.2
239.11983	0.7
251.12007	0.2
255.02946	2.3
275.56470	0.2
283.02454	2.0
283.10947	1.3
284.03156	0.4
285.03949	0.3
295.10992	0.4
297.04074	0.5
298.04962	0.8
299.05673	0.5
363.16922	0.5
425.14661	0.3
446.08670	1.2
448.18979	0.9
461.10852	6.0
463.21906	0.4
464.22375	0.3
465.23599	0.6
492.17737	4.0
493.17838	0.4
494.17792	0.6
506.17654	0.4
515.25275	0.3
524.19873	1.1
524.28687	0.2
525.20148	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.1
61.98831	100.0
63.25726	0.2
63.89365	0.2
70.86362	0.3
71.01372	1.1
71.49987	0.2
73.02964	0.5
78.95920	1.2
82.20472	0.2
85.02971	0.3
89.02460	0.9
96.96053	0.3
99.00874	0.3
101.02485	0.6
113.02452	0.2
119.05011	0.4
123.04525	0.3
133.02966	2.3
135.04553	0.8
161.02454	6.4
162.02805	0.9
163.03998	0.3
167.03542	1.1
177.01950	0.3
178.02328	0.2
179.03522	0.4
180.04121	0.3
188.47211	0.2
191.05641	0.5
239.87186	0.2
244.87389	0.2
284.03271	0.5
285.03754	0.6
286.04034	0.5
287.04169	0.3
290.71747	0.3
299.05536	0.6
300.06137	0.7
301.06281	0.5
302.06543	0.5
345.15646	0.4
434.14392	0.2
494.17932	0.6
504.97137	0.3
506.17685	0.7
507.18530	0.5
523.35352	0.5
524.19031	0.9
524.26666	0.7
524.35101	0.5
525.19250	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	22.9
61.98827	5.9
69.03453	1.9
69.94500	1.4
69.94848	2.9
71.01387	12.1
85.02966	1.7
89.02439	9.2
94.02987	21.1
98.22567	1.4
99.02004	11.1
101.02466	6.4
103.56601	1.2
108.04541	2.0
111.02019	19.5
113.02448	2.5
119.03518	2.8
122.02486	84.0
123.02016	15.6
123.02840	1.3
124.02761	1.3
124.04043	15.9
125.03602	6.3
133.02942	1.7
136.04054	5.2
152.03465	2.4
160.04015	1.7
161.02434	5.9
162.05623	8.5
174.05597	2.8
177.06728	10.7
188.07234	2.6
203.04607	2.7
205.06186	65.7
206.06404	1.6
214.08826	2.6
220.07352	2.7
230.05768	4.1
231.04100	2.1
248.06761	100.0
249.07133	2.9
257.09412	3.5
264.06201	1.7
290.11667	2.1
292.05768	41.6
293.06155	1.9
300.09869	35.0
318.10883	2.1
334.10483	5.7
344.08875	31.2
362.09912	5.7
480.16104	5.8
489.16055	3.5
496.15768	4.0
524.15222	99.2
525.15643	4.1
539.54181	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	18.5
61.98819	2.1
69.03443	1.0
69.40269	2.6
71.01370	11.0
72.99296	0.8
73.02933	0.9
83.01416	0.7
84.20372	0.7
85.02935	2.2
89.02444	8.3
91.05518	1.0
93.03414	0.7
94.02979	5.9
95.01389	1.7
99.02000	4.0
101.02444	5.5
103.45250	0.7
107.52827	0.7
108.04532	0.8
109.02912	0.8
111.02006	7.7
113.02461	4.4
119.03507	3.6
122.02479	26.2
123.01997	5.3
124.02802	1.2
124.04039	5.1
125.03558	2.5
134.03749	0.8
136.04001	2.7
144.04495	1.0
146.06088	1.0
149.04526	1.1
151.04002	2.8
161.02472	1.4
161.04539	1.1
162.05544	1.5
165.05557	1.1
172.72690	0.8
174.05612	6.9
176.07124	1.4
177.06680	16.2
179.05618	2.7
187.05107	0.8
191.05637	0.9
205.04318	1.3
205.06178	20.6
214.08617	1.8
218.20351	0.7
218.56697	0.8
225.05507	1.1
229.09712	1.7
230.05623	1.8
237.05545	4.9
248.06747	35.8
249.07304	1.0
252.07852	3.1
253.05074	2.8
254.99901	0.7
257.09381	3.8
268.07333	3.3
283.09726	10.7
292.05756	14.8
300.09860	6.5
318.10828	0.9
344.08777	3.8
362.09863	3.1
464.18396	1.2
465.19345	1.1
480.16095	2.0
524.15173	100.0
525.15454	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	524.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.1
61.98829	100.0
69.39636	0.1
70.08382	0.2
122.93075	0.1
168.74274	0.1
280.82678	0.1
305.68179	0.1
359.25098	0.2
524.26721	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	524.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41691	0.9
61.98829	100.0
64.49444	1.0
71.04891	1.1
71.23238	1.7
78.91906	1.5
78.95898	3.1
88.98804	0.9
93.64816	1.1
99.65746	1.0
128.93835	1.0
146.19798	1.0
152.99576	3.9
372.74222	1.2
440.79330	1.2
527.74640	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
71.43104	0.6
78.29310	0.6
78.91874	4.9
78.95917	1.0
107.01946	0.6
152.99644	1.8
165.43593	0.7
279.36414	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.4
59.01379	5.6
61.86077	0.3
61.98825	1.1
65.00321	2.3
68.99815	0.6
69.03447	1.2
71.01393	2.4
73.02951	3.6
77.77470	0.3
78.95901	0.9
79.95704	0.4
85.02950	0.4
89.02442	2.4
91.01894	12.0
95.01357	0.5
96.96010	23.1
96.96990	1.1
98.21879	0.9
101.02436	1.6
108.02164	8.5
111.00886	0.8
113.02444	1.3
119.03502	1.3
123.04523	35.2
124.01637	0.5
124.04823	0.4
124.52473	0.4
125.02380	0.6
133.02965	4.6
133.06587	2.0
135.04520	1.6
151.07643	0.7
152.01161	5.6
161.02455	15.6
165.22403	0.4
167.03493	100.0
168.03816	1.2
177.05524	1.0
179.03514	1.4
183.10257	0.8
191.05629	0.7
221.04567	0.5
263.36325	0.4
331.58804	0.3
332.48380	0.3
357.11722	0.7
363.16589	5.3
451.16068	1.0
465.23175	0.7
525.20178	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	525.161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.4
59.01379	5.6
61.86077	0.3
61.98825	1.1
65.00321	2.3
68.99815	0.6
69.03447	1.2
71.01393	2.4
73.02951	3.6
77.77470	0.3
78.95901	0.9
79.95704	0.4
85.02950	0.4
89.02442	2.4
91.01894	12.0
95.01357	0.5
96.96010	23.1
96.96990	1.1
98.21879	0.9
101.02436	1.6
108.02164	8.5
111.00886	0.8
113.02444	1.3
119.03502	1.3
123.04523	35.2
124.01637	0.5
124.04823	0.4
124.52473	0.4
125.02380	0.6
133.02965	4.6
133.06587	2.0
135.04520	1.6
151.07643	0.7
152.01161	5.6
161.02455	15.6
165.22403	0.4
167.03493	100.0
168.03816	1.2
177.05524	1.0
179.03514	1.4
183.10257	0.8
191.05629	0.7
221.04567	0.5
263.36325	0.4
331.58804	0.3
332.48380	0.3
357.11722	0.7
363.16589	5.3
451.16068	1.0
465.23175	0.7
525.20178	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	525.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.0
61.98816	0.9
68.99818	0.7
69.03458	0.5
69.17029	1.7
71.01385	4.8
73.02949	1.0
79.80918	0.3
83.01398	0.7
85.02943	1.6
87.00877	0.6
89.02435	3.8
95.01385	0.7
96.95996	0.4
99.00872	0.4
99.04524	10.4
101.02434	5.2
105.03442	0.6
108.02164	0.7
109.02985	0.8
113.02446	2.4
117.03467	0.8
119.03492	1.4
132.02159	1.1
133.02963	25.8
134.03726	1.0
135.04538	10.5
137.02374	0.5
143.10478	0.3
152.01167	0.4
153.01897	0.4
161.02451	100.0
162.02762	2.3
177.05591	0.4
179.03505	3.9
191.05536	0.4
216.15433	0.4
233.04576	0.7
269.40668	0.4
345.15591	1.0
351.39304	0.3
363.16626	12.7
363.21188	0.6
364.17151	0.6
425.14508	9.7
425.19891	0.6
463.19980	3.5
464.20367	0.4
465.23355	1.9
481.20810	3.8
507.18738	4.5
525.19885	36.4
526.20343	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	525.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.4
57.03457	1.4
59.01380	48.5
61.98822	3.1
67.41396	1.0
67.89137	1.1
68.99829	1.1
69.03448	1.1
69.55609	4.0
71.01382	23.4
73.02953	3.2
75.00861	2.5
83.01393	1.3
85.02950	7.5
87.00877	2.8
89.02445	28.4
91.05519	1.3
93.03434	1.3
95.01385	1.3
97.02943	1.3
98.21927	2.4
101.02449	16.8
108.02169	3.3
111.00883	2.2
113.02439	9.7
119.03513	12.6
119.04982	1.0
121.02976	4.3
122.03770	6.6
123.04530	2.1
125.02425	1.5
131.03484	2.6
134.03749	35.9
134.94473	1.1
135.04549	9.5
137.02437	1.5
143.03514	3.9
143.71658	1.2
145.02937	1.6
146.03743	64.7
147.04512	15.6
149.04720	2.4
149.06087	32.5
150.03261	5.1
151.71310	0.9
161.02405	3.7
161.04582	3.9
161.06064	31.0
162.03186	3.4
163.04054	5.0
164.04797	29.0
165.05615	11.1
166.06358	5.7
167.07137	48.3
168.07591	1.2
177.05545	3.3
178.25027	1.0
179.05630	17.4
179.07114	100.0
180.04144	1.1
180.07544	2.6
191.05652	1.6
193.08687	2.9
195.06656	2.3
208.15962	1.1
210.72639	1.1
221.08202	3.5
240.07930	1.9
248.35660	1.2
255.10205	3.9
258.45038	1.0
315.12399	1.8
327.12393	15.5
328.11597	1.2
329.12430	32.1
349.17517	3.0
350.17764	1.5
351.18240	2.6
383.13492	20.8
384.13443	1.2
477.17661	11.0
479.21222	2.1
489.17612	12.1
507.18707	6.7
525.18982	5.4
525.29498	2.2
538.16290	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69184	1.0
55.01880	1.1
59.01379	38.2
61.98838	6.9
64.97425	0.9
70.78127	1.5
71.01379	22.9
72.01734	1.1
72.99303	1.5
73.02944	4.1
82.95425	1.7
83.01385	2.3
85.02946	6.3
87.00875	2.0
89.02441	19.2
93.03434	1.0
95.01394	1.6
99.00887	1.6
101.02447	14.8
107.05025	2.3
108.02196	2.6
108.66979	0.9
109.02925	1.1
111.00866	1.1
113.02444	12.5
119.03509	8.1
121.02950	12.7
122.03732	17.8
123.00869	1.0
123.04557	1.6
131.03484	1.0
133.03015	0.9
134.03741	33.6
135.04535	17.5
137.02429	1.6
143.03529	1.3
146.03734	58.8
147.04533	2.4
149.04817	1.2
149.06071	33.4
150.03232	14.8
161.02419	3.7
161.04601	3.2
161.06071	35.6
162.03247	8.1
163.03976	2.1
164.04802	26.4
165.04106	1.3
165.05560	47.7
166.06349	20.8
167.07133	100.0
168.07504	1.1
174.03242	1.5
176.27522	1.0
177.05563	7.8
179.05734	4.2
179.07129	95.4
180.07480	1.8
181.01265	1.6
183.02988	1.3
189.05559	3.1
191.05557	1.0
195.06601	3.3
197.04567	3.9
207.06599	1.8
219.06602	1.0
221.08194	3.0
231.06456	1.1
312.10089	2.0
315.12393	15.1
327.12357	30.8
341.08774	6.7
345.13412	5.9
367.91785	1.0
393.23868	1.6
479.21176	3.7
489.19650	1.6
504.04419	1.1
524.28070	2.2
525.15790	14.1
525.28357	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	525.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27917	0.3
59.01376	7.1
61.98827	0.9
68.99812	0.8
69.03456	0.5
70.07269	0.7
71.01379	5.4
73.02941	1.4
78.81525	0.3
83.01394	0.6
85.02952	1.7
89.02428	3.6
91.22264	0.3
95.01401	0.4
96.95981	0.9
99.00858	0.5
99.04517	9.1
101.02430	4.0
105.03432	0.4
108.02158	0.5
109.02940	0.9
111.00807	0.4
113.02464	2.2
117.03463	1.0
119.03492	1.2
122.66143	0.3
123.04557	0.5
131.03593	0.4
132.02171	0.9
133.02953	26.0
134.03749	1.0
135.04520	9.3
137.02422	0.5
149.06009	0.3
152.01196	0.6
153.01842	0.4
155.29362	0.4
161.02441	100.0
162.02821	2.3
163.04076	0.5
164.21967	0.3
173.02498	0.3
177.01883	0.3
177.05565	0.5
179.03493	4.3
180.03929	0.4
189.05550	0.3
191.05675	0.7
207.01990	0.3
221.01520	0.3
233.04515	0.4
245.65981	0.3
281.06396	0.5
282.07248	0.3
286.55789	0.3
333.19214	0.4
345.15707	1.0
363.16574	12.3
364.16800	0.6
392.20877	0.3
392.62137	0.3
425.14536	10.2
463.19711	3.0
465.17361	0.5
465.23315	2.6
481.20993	3.6
507.18692	4.4
525.19806	34.7
526.20563	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	525.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.0
57.03445	2.7
59.01109	1.6
59.01383	19.7
61.98856	2.1
67.21562	1.0
68.62136	1.0
69.19543	3.9
69.19959	1.5
71.01008	1.9
71.01385	27.9
73.02949	9.8
83.01384	4.8
85.02951	12.3
85.17855	0.8
87.00860	1.2
89.02440	8.6
91.12314	0.9
91.17711	0.9
95.01393	1.3
96.96009	1.5
97.02948	1.5
99.00879	5.8
101.02449	27.1
113.02462	10.3
115.03984	1.0
119.03526	2.1
125.02454	1.9
131.03485	1.0
132.10661	0.8
133.02943	5.0
135.04530	2.0
149.04590	1.4
159.03008	2.8
161.02487	9.8
161.04555	10.0
162.02809	4.0
162.30864	0.9
163.02954	2.0
179.03531	2.2
191.05540	1.7
203.67421	0.9
233.06682	1.3
274.75519	0.9
275.97244	0.9
293.08783	1.6
333.19147	15.4
393.10858	2.4
465.23401	100.0
466.23563	6.4
495.17743	2.6
507.17886	1.9
525.19550	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24010	8.9
55.29217	8.9
61.98832	9.5
65.72412	8.1
69.00934	17.8
87.02095	8.9
125.47714	8.2
327.37064	10.1
400.98999	10.0
404.62207	10.8
411.45392	9.1
455.35248	16.8
456.35812	63.9
457.36377	14.3
525.34351	100.0
547.28857	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	525.356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02195	83.4
59.11836	76.8
61.98836	94.6
132.42729	83.4
258.86823	100.0
315.26740	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54713	0.2
59.01391	0.3
61.98830	100.0
71.01388	0.2
73.02955	0.6
84.75362	0.2
84.84679	0.2
133.02972	0.9
135.04544	1.0
136.04852	0.4
149.21390	0.2
157.58780	0.2
161.02452	2.7
162.02827	0.8
179.03522	0.6
180.03842	0.3
181.18513	0.2
191.05693	0.2
209.67224	0.2
283.07281	0.9
301.07248	0.5
362.57162	0.2
365.18317	0.8
442.82361	0.2
450.16843	0.9
525.20386	0.3
526.19727	2.5
527.21582	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69101	0.2
55.62181	0.2
59.01392	0.9
61.98829	100.0
64.73549	0.2
69.70355	0.4
69.70731	0.3
71.01398	0.7
73.02958	0.2
75.17371	0.2
80.96549	0.3
85.02940	0.2
89.02442	0.5
96.96010	0.4
97.38822	0.2
101.02422	0.4
133.02937	0.2
135.04558	0.3
136.17650	0.2
161.02408	0.8
162.02859	0.2
175.88434	0.2
179.03523	0.2
191.05562	0.2
229.21698	0.2
236.25966	0.2
270.53894	0.2
321.38525	0.2
466.22751	0.6
527.21350	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.6
59.57428	0.2
61.98826	100.0
66.15562	0.2
69.70354	0.2
69.70695	0.5
71.01395	0.5
73.02902	0.2
79.64378	0.2
80.96514	0.2
89.02446	0.4
89.17209	0.2
91.50971	0.1
96.96019	0.2
101.02462	0.4
105.12587	0.1
123.65083	0.2
136.32304	0.1
147.70250	0.2
149.04536	0.3
161.02489	0.5
169.55481	0.2
373.85199	0.2
466.22839	0.7
516.31158	0.2
526.17273	0.2
527.18463	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.0
69.03466	1.1
69.82563	1.5
71.01401	1.2
78.95902	2.0
85.02951	5.8
87.00896	1.3
90.44090	0.6
93.03468	2.3
98.22677	0.5
110.98525	3.0
111.00889	0.5
111.04550	1.1
127.04021	1.8
133.02962	0.8
135.04584	1.0
142.99905	0.5
161.02437	1.7
169.08711	0.7
173.01007	0.9
173.04497	0.8
179.03534	0.6
185.02252	3.3
186.37601	0.6
191.05620	100.0
192.05948	1.6
213.07602	0.8
220.91249	0.5
277.12537	0.7
288.96243	0.6
353.08759	12.2
354.09549	0.7
409.24338	0.5
499.30991	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	26.5
61.98826	6.6
69.69926	3.1
69.70292	7.2
71.01382	16.1
73.02930	4.2
81.42049	1.7
85.02953	1.9
86.61185	1.6
89.02442	32.4
96.96004	7.7
97.02934	1.7
98.21920	3.6
99.00871	10.9
101.02434	15.1
109.02953	1.6
111.71903	1.6
113.02441	4.3
119.03486	1.8
125.02423	3.2
126.33096	1.7
131.03487	4.3
133.02892	2.0
149.04552	18.4
161.02437	5.3
164.04762	3.1
165.05591	5.4
179.07166	3.7
189.05588	6.9
191.05617	3.8
227.62164	1.9
251.07727	2.8
252.04114	1.8
275.57864	1.8
401.14459	2.2
489.16034	3.5
491.17697	100.0
492.18268	3.8
527.14746	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	527.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.8
60.06954	1.3
61.98831	45.0
68.99784	1.2
69.03414	2.4
69.95186	4.2
71.01386	11.0
72.99297	1.2
73.02928	2.5
78.98576	4.5
79.95740	7.1
80.96519	50.6
83.01389	1.6
83.04985	1.4
85.02934	4.5
87.00859	1.9
88.98788	1.7
89.02416	3.8
93.03423	1.9
94.98080	11.7
96.95989	2.5
97.02941	2.9
101.02415	5.0
106.98060	3.4
108.02131	1.3
109.02914	3.8
113.02502	1.7
116.92877	1.3
122.97589	6.4
125.02370	3.4
127.03875	1.6
132.02206	1.5
133.02966	17.0
134.97499	3.9
135.04532	9.4
138.62503	1.3
148.99139	3.0
151.71095	1.3
152.01123	2.5
152.07204	1.6
152.98563	5.4
152.99832	1.1
153.01819	1.4
160.02751	2.5
160.04042	41.7
161.02448	56.1
162.02721	2.7
164.98637	8.0
167.03529	1.8
179.03481	8.3
182.99638	1.4
191.05542	5.8
199.65985	1.5
206.99767	2.1
209.11850	2.7
221.04559	1.8
225.00761	17.6
265.04868	4.9
267.06509	1.7
280.52930	1.2
284.57120	1.5
285.03915	3.6
299.04205	2.6
309.03870	2.9
323.07483	5.5
366.08231	11.8
453.20505	2.0
484.12170	1.5
491.15118	3.3
509.28625	1.4
527.17798	100.0
528.11053	2.6
528.18445	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	527.18
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01374	1.6
61.98828	7.7
69.03444	1.1
69.96346	1.3
69.96664	1.3
71.01382	6.0
73.02947	1.8
75.00846	1.1
78.98595	5.1
79.95734	8.2
80.96518	50.4
85.02940	1.8
87.00864	2.7
88.25955	0.8
94.98081	13.2
96.96001	0.9
97.02911	1.4
101.02444	3.9
106.98103	2.7
113.02458	0.8
122.97579	4.7
125.02426	2.9
134.97575	3.0
136.99133	0.9
148.99133	5.2
152.98643	7.5
160.04004	2.7
161.02460	4.0
161.16711	0.7
162.02815	0.7
164.98605	8.3
167.00092	0.9
182.99629	1.9
206.99651	3.5
209.11763	4.0
215.87799	0.7
225.00732	18.3
239.20689	0.7
243.01808	1.3
285.21219	0.9
285.40869	0.8
299.04404	2.5
484.42599	0.9
527.17975	100.0
528.18420	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	527.2135
Annotation	Dutasteride
Peak:m/z	Relative Intensity
55.68391	0.5
59.01370	5.9
61.98830	86.3
62.98550	0.7
63.48112	0.5
63.99255	0.9
69.90995	0.8
69.91321	1.2
71.01379	6.7
73.02948	43.1
75.66994	0.5
83.01394	0.7
85.02963	3.0
86.12487	0.5
87.00914	0.6
89.02450	2.1
96.96021	1.0
99.00871	1.2
101.02444	7.9
107.05006	0.6
112.11979	0.5
112.84062	0.6
113.02446	3.7
117.03477	0.8
119.03457	0.7
119.45493	0.6
131.07135	0.7
132.02200	1.2
133.02969	27.3
133.03992	1.4
134.03703	0.9
135.04533	7.5
159.03009	0.8
161.02454	100.0
162.02783	2.2
179.03520	5.5
188.65527	0.6
191.05602	0.9
193.05086	0.7
211.13512	0.8
284.07480	0.9
284.72247	0.7
291.14542	1.7
335.20782	0.8
347.17096	0.6
365.18149	45.6
366.18408	1.3
449.26920	0.7
451.16757	0.8
453.17618	6.5
467.24881	1.3
509.20392	0.9
527.21313	57.4
528.21844	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	527.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05655	0.4
58.00603	0.5
59.01376	100.0
61.98820	1.3
67.01900	0.5
68.99815	9.7
69.03442	2.6
71.01377	23.6
72.99315	0.7
73.02935	1.1
77.50653	0.4
79.05556	0.7
83.01398	0.5
85.02947	3.2
87.00898	1.1
89.02439	32.1
90.02810	0.5
93.03476	0.9
95.01392	1.7
95.05052	1.1
97.02962	0.5
97.06600	0.8
99.00916	2.4
101.02444	21.5
103.82954	0.4
105.07142	1.1
113.02441	9.5
119.03498	11.8
119.04305	0.7
121.02950	1.0
121.06626	0.9
123.08159	10.1
125.02451	0.7
127.04040	0.5
131.03534	1.2
133.06563	0.4
134.03737	0.5
135.04541	0.8
136.49226	0.3
143.03528	2.3
149.02470	1.0
149.04585	1.6
151.04051	0.7
161.02466	0.7
161.04517	2.4
175.07713	0.5
179.05609	5.1
181.05066	3.4
191.05547	0.6
203.10754	5.5
204.72993	0.4
230.52800	0.4
235.09734	7.1
235.11948	0.5
236.26303	0.4
255.10475	0.5
269.04584	0.7
285.04089	0.5
287.12961	2.2
305.13898	3.3
305.16516	0.3
318.68640	0.4
447.09412	0.7
457.21426	0.4
464.47983	0.4
467.19180	0.5
467.25070	0.6
483.33838	0.6
527.24585	0.5
527.36353	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
57.03450	3.7
59.01379	30.0
61.98832	26.7
63.99247	2.9
68.99809	2.9
69.03445	2.3
71.01384	34.0
73.02950	17.0
83.01389	6.8
85.02939	12.1
89.02442	16.5
91.09287	1.2
93.03474	2.5
95.01405	1.3
96.95998	12.8
97.02944	2.6
98.22594	4.0
99.00877	9.6
100.93304	1.3
101.01781	2.6
101.02442	39.1
107.05075	1.7
109.02930	1.8
111.00849	2.2
113.02467	12.3
123.04539	2.8
125.02428	2.3
131.03465	2.9
133.02965	6.6
134.03735	2.1
135.04530	14.0
137.02441	2.8
141.41060	1.5
143.03506	2.7
149.04584	8.6
149.05696	1.3
151.00426	1.7
153.01967	3.4
155.10753	1.6
159.02982	2.8
161.02457	24.3
161.04550	6.4
162.02789	5.3
163.02940	1.9
167.03555	4.5
173.04454	1.7
173.79337	1.7
179.03561	6.6
179.07118	1.7
191.05618	8.1
285.03964	3.0
321.08038	1.5
335.20789	20.3
365.17340	1.8
467.24939	100.0
468.25235	5.7
527.20459	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	527.286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95041	0.8
57.03435	2.8
59.01378	19.5
61.98810	1.7
67.67479	0.8
68.41496	0.9
69.61195	0.8
69.61526	3.0
71.01385	19.5
72.99306	4.6
73.02953	2.5
75.00872	19.3
77.51572	0.7
83.01377	1.1
85.02953	21.6
87.00879	9.9
89.02447	4.4
94.83703	0.7
95.01379	5.9
96.95991	0.8
98.21913	1.6
99.00892	9.0
103.00364	3.0
112.01605	0.9
113.02451	32.9
115.00366	1.6
117.01962	2.0
128.16136	0.7
129.01918	1.7
147.83479	0.8
157.01385	0.9
175.02480	4.4
177.02678	0.8
180.22517	0.8
193.03429	0.9
205.07120	2.3
222.81369	0.9
223.08250	1.1
231.05142	0.9
249.06151	6.5
267.07144	7.1
277.21716	52.6
278.21982	1.4
467.26767	1.2
506.98132	0.8
509.27234	1.8
527.28583	100.0
528.29022	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	527.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
64.41906	52.3
68.40285	58.9
71.44643	68.1
82.95368	90.9
120.62164	61.9
135.10658	66.7
160.04016	62.1
217.39114	68.5
268.41882	66.9
292.51639	71.7
352.61227	61.3
360.19504	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
61.32137	51.8
61.98837	100.0
62.23317	49.4
64.59298	57.7
70.52095	69.1
89.82545	51.9
99.52555	47.6
116.92857	62.3
118.64540	52.8
128.49060	51.8
154.45967	48.4
170.66248	52.2
207.66618	58.2
318.74088	52.9
383.03510	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64828	0.2
59.01383	1.3
60.04411	0.2
61.98832	100.0
65.93987	0.2
68.63402	0.2
69.03480	0.2
69.14268	0.4
69.14671	1.0
71.01395	0.9
73.02962	0.2
77.52989	0.2
78.34953	0.2
85.02970	0.4
89.02474	0.4
93.03448	0.2
95.05030	0.2
96.96067	0.2
101.02467	1.0
113.02489	0.4
119.03484	0.2
119.05013	0.3
121.02991	0.7
130.08745	1.9
131.07208	0.5
133.03009	0.8
135.04575	0.6
149.00690	0.2
149.02579	0.2
156.06676	0.5
161.02455	1.5
165.05600	0.3
166.66034	0.2
173.05960	0.2
179.03537	0.7
180.07361	0.2
184.76346	0.2
191.05557	1.0
198.17628	0.2
218.34737	0.2
252.12483	0.4
253.01779	0.5
285.04373	0.2
322.16492	0.4
353.08972	0.2
468.24243	0.6
485.11533	0.7
528.21033	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91269	0.2
59.01380	3.4
61.98828	3.2
62.49751	0.2
68.99806	0.4
69.03445	0.8
71.01380	2.2
73.02938	0.6
73.08054	0.2
78.95889	0.5
79.95734	2.9
83.01357	0.3
83.98129	0.2
85.02950	0.8
85.06580	0.7
87.00873	0.3
89.02446	1.4
92.05110	0.2
93.03471	0.9
94.98093	0.3
95.05032	0.3
96.96011	100.0
97.02936	0.3
99.00887	0.2
101.02454	2.0
105.03428	0.3
106.47034	0.2
109.02905	0.3
113.02448	0.6
119.05054	0.3
121.02941	0.5
123.04491	0.2
123.44653	0.2
125.02452	0.5
131.07144	3.2
133.02965	2.0
135.04497	0.8
137.02515	0.3
149.04553	0.6
150.03149	0.3
150.09306	0.2
151.04021	0.2
155.72520	0.2
159.06664	0.3
161.02525	1.1
173.04570	0.6
177.01988	0.4
179.03612	0.3
183.06616	0.2
191.05602	1.0
195.03011	0.3
199.97409	0.2
224.86667	0.2
244.25388	0.2
268.03613	1.2
269.04428	0.6
285.03922	0.3
325.00272	0.4
335.21082	0.3
336.21170	0.3
367.01584	0.2
431.09821	1.6
468.25232	2.2
469.25467	1.0
475.72852	0.2
529.18896	1.4
529.26691	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.135
Annotation	CHEBI:88343
Peak:m/z	Relative Intensity
57.03440	0.8
59.01378	2.3
60.99290	0.5
61.98819	0.6
67.01888	3.8
67.02227	0.4
69.03452	0.9
69.25744	0.8
71.01385	3.0
73.02951	0.2
75.21700	0.2
81.03455	0.6
83.05029	0.8
85.02960	0.6
87.00872	0.4
89.02451	0.4
89.03980	0.3
93.03461	23.2
94.03782	0.6
96.47305	0.2
96.96004	0.3
98.21808	0.2
101.02450	0.5
109.02957	0.8
111.00900	1.0
111.04519	4.6
113.02442	0.4
117.03465	1.6
120.98835	0.2
127.04000	0.6
133.02975	1.1
133.64345	0.2
134.03743	17.5
135.04564	2.1
137.02444	4.2
149.06052	1.3
155.03508	4.6
161.02431	2.1
173.04550	100.0
174.04933	1.3
178.02628	0.2
179.03467	1.7
191.05638	3.2
193.05055	14.7
194.05368	0.2
195.78954	0.2
220.07532	0.2
226.80138	0.2
234.90454	0.2
269.04752	0.2
353.08630	0.9
367.10321	44.9
368.10696	1.5
412.29984	0.2
418.80533	0.2
480.93826	0.2
529.26862	0.3
547.18005	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1561
Annotation	Pikuroside
Peak:m/z	Relative Intensity
52.16653	0.7
57.03428	0.8
59.01375	4.8
60.99310	4.6
61.98835	1.6
67.01891	11.5
67.19598	0.6
69.03461	2.8
69.16664	4.4
71.01389	4.8
72.99279	0.6
73.02928	0.9
73.24207	0.7
81.03457	1.4
81.17816	0.7
83.01424	0.7
83.05056	1.6
84.69230	0.7
85.02943	5.1
87.00345	0.6
87.00878	12.9
89.02425	1.0
91.04577	0.6
93.03459	64.6
96.96002	2.0
98.21877	1.5
99.00885	1.6
99.04521	0.7
100.39474	0.8
101.02432	1.7
109.02941	1.4
111.04520	10.6
113.02413	1.0
127.03943	1.5
129.01964	1.3
133.02982	0.8
134.03738	20.5
135.04524	1.0
137.02406	0.8
143.03462	0.7
149.06032	4.5
155.03479	1.9
160.01614	1.2
161.02336	0.7
173.04550	20.1
175.03998	1.4
178.02702	9.8
182.76848	0.7
191.05608	100.0
192.05933	2.5
193.05052	21.8
194.05280	1.0
241.20119	0.7
302.04666	0.7
367.10321	21.6
368.10834	0.9
395.11090	0.7
409.11380	3.1
469.22861	2.2
529.15625	89.7
530.15839	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	529.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00480	2.4
59.01379	32.0
61.98816	8.9
67.01875	2.6
67.04832	2.0
68.99786	2.2
69.03440	3.6
69.24146	11.7
70.46272	1.9
71.01379	27.5
73.02944	8.6
78.95869	5.2
81.03446	3.4
83.01413	2.0
85.02953	7.7
87.00873	7.9
89.02442	39.6
93.03461	31.3
96.96007	77.1
96.96964	7.0
99.00863	18.3
101.02448	26.2
109.02962	4.2
111.04536	4.6
113.02431	8.4
115.13400	2.3
119.03499	2.5
125.02435	2.6
127.51994	2.0
131.03477	5.4
133.02928	3.8
134.03781	4.7
149.04585	21.2
149.05739	3.3
150.03171	3.7
161.02415	7.8
165.05534	5.8
173.04550	6.5
175.03993	2.2
178.02769	3.7
179.03358	2.9
191.05605	32.2
193.05031	7.0
219.30174	2.5
337.18631	4.0
367.10291	8.9
367.15302	2.5
463.18289	25.7
469.10297	4.3
469.22781	17.3
475.18173	46.9
476.18768	3.9
491.16833	2.8
493.19388	9.2
529.16516	100.0
530.16711	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28090	1.9
53.64436	1.9
57.03448	54.0
59.01379	58.0
61.98821	6.0
67.01904	2.9
68.99811	20.2
69.03458	9.4
69.25214	4.3
69.25611	5.2
71.01383	32.1
73.02934	5.4
79.70952	2.4
83.01398	3.4
83.05043	2.8
85.02944	10.0
85.06564	3.8
87.00877	2.7
89.02445	37.7
93.03450	5.9
94.11173	1.7
95.01382	8.1
95.05027	4.0
95.73029	1.9
96.95997	17.5
97.02949	2.2
97.06582	9.3
98.95588	2.7
99.00855	3.3
99.92583	7.4
100.93358	3.4
101.02445	100.0
107.04972	2.4
113.02464	12.6
115.92059	4.1
116.92850	11.4
118.26143	1.6
119.03494	16.8
121.02967	10.7
121.06580	5.1
123.04491	6.9
123.08179	6.2
125.06072	2.9
127.04021	5.7
131.03503	2.1
131.07140	12.7
133.02974	26.4
135.04517	18.6
141.05482	2.5
143.03499	5.2
149.02444	8.0
149.04515	5.4
153.05540	8.8
155.03516	15.5
161.02451	79.4
161.04572	5.3
161.05992	2.7
163.03998	3.6
163.07663	7.5
173.04541	6.8
173.05966	1.9
177.05540	2.4
179.03497	8.7
179.05630	13.1
181.05063	5.5
191.05551	5.3
193.05052	4.2
195.06662	31.7
203.10890	2.9
235.09789	11.1
265.10803	7.3
279.98242	2.2
285.04080	3.8
296.13965	1.8
297.09830	6.4
305.13959	2.9
323.07642	2.2
335.11139	3.7
351.92496	2.0
355.62222	2.0
469.06738	2.5
493.17123	53.7
529.12042	5.7
529.19263	91.5
529.25757	4.6
530.19940	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	529.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84493	0.5
55.01888	0.8
59.01379	23.1
60.55324	0.5
61.98818	2.8
64.79100	0.6
67.01882	0.8
69.03454	21.8
69.13430	3.2
71.01379	13.2
73.02938	2.3
83.01403	1.1
85.02962	3.8
85.06591	23.4
87.00861	1.6
89.02442	16.1
93.03455	6.8
95.01390	1.3
95.05025	8.6
96.96008	1.2
99.00887	1.5
101.02443	9.8
105.01921	0.6
111.04477	0.5
113.02446	4.7
115.47035	0.6
119.03529	4.4
119.05042	1.1
120.02123	0.8
121.02963	12.0
121.06575	4.3
125.02460	1.3
129.07079	1.5
130.04231	0.8
131.07137	100.0
132.07484	1.0
133.02925	0.8
134.03818	1.3
135.04526	6.8
137.02446	1.7
139.04045	2.0
143.03491	0.7
145.06583	2.8
147.08192	3.9
148.19637	0.6
149.02429	0.6
149.04535	1.8
151.00394	0.7
155.03523	0.8
158.03642	0.7
161.02446	2.5
161.04546	1.7
161.05983	1.2
163.07619	0.9
165.01895	2.9
165.09157	2.9
171.10240	3.0
173.04543	8.7
173.06082	3.1
179.03506	6.3
179.05695	1.1
189.05571	3.3
189.97113	0.5
191.05585	8.8
191.07167	7.4
207.02962	0.8
209.08200	1.2
217.05072	2.2
234.06657	0.6
235.09904	0.8
260.88254	0.6
266.86935	0.6
285.03952	1.4
297.09830	1.9
323.14871	0.9
327.07391	1.2
328.06680	0.6
353.08746	7.5
367.10336	1.7
371.13419	12.9
397.11340	5.7
415.12476	12.0
481.42093	0.8
529.19250	68.7
529.26428	4.4
530.19678	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	529.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.4
65.03964	0.5
66.04043	0.4
67.01870	0.6
69.03455	7.4
69.09842	2.5
69.17977	0.4
71.01376	4.5
82.87498	0.4
85.02958	1.3
85.06592	5.2
87.82775	0.3
89.02441	6.3
93.03458	50.4
94.03799	0.8
95.01372	0.5
95.05048	2.6
101.02455	3.1
113.02442	1.8
117.05584	4.2
119.03519	1.5
121.02968	3.8
121.06536	0.9
130.04257	0.4
131.07143	26.6
135.04576	0.8
137.02446	100.0
138.02803	1.7
139.04027	0.8
145.06596	0.7
147.08165	1.1
149.04568	0.7
153.05623	0.9
161.02550	0.9
161.06096	0.6
165.01907	0.8
165.09219	1.2
173.04564	3.9
173.06084	1.2
179.05675	0.6
185.31137	0.4
189.05516	0.9
191.05620	1.0
191.07166	2.2
193.05026	0.8
217.05023	1.2
235.06013	0.5
285.04053	0.7
297.10004	0.6
327.06952	0.5
334.11563	0.4
367.10419	1.4
371.13446	3.9
397.11456	1.5
415.12558	4.3
429.14127	0.6
453.77597	0.5
529.19336	16.7
529.26489	1.3
530.19287	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73050	1.6
52.59296	1.8
53.36771	1.7
54.96531	1.9
60.09644	1.7
60.15219	1.6
61.98829	2.7
64.84766	1.7
65.30064	1.6
73.67221	1.6
78.95908	3.5
82.95388	2.2
84.62583	1.7
96.96004	19.0
152.99530	3.6
179.74216	1.9
191.05612	3.9
253.62628	2.0
285.03940	3.5
351.68658	1.8
451.69748	2.1
453.33917	2.6
471.34735	55.8
472.35236	4.4
529.30597	100.0
530.31024	6.5
550.41101	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	529.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.3
59.01374	3.2
69.03474	2.6
69.31724	3.5
69.32130	4.1
72.85525	1.4
73.81995	1.6
80.02682	1.7
83.05024	4.7
95.05026	2.7
96.07207	1.6
97.06596	2.6
98.21861	2.9
105.80462	1.5
107.05021	8.9
109.06615	2.3
121.02917	1.6
123.00932	2.0
123.04527	1.9
123.08162	2.3
125.09697	14.5
135.04515	2.5
135.08130	9.5
153.09216	10.7
163.11293	5.7
165.12820	3.2
176.08386	3.1
178.09970	3.1
179.10753	2.2
185.11844	8.0
187.09631	1.5
197.11769	8.8
205.12286	2.0
207.10283	6.7
209.11824	80.6
210.12122	2.2
222.29761	1.7
223.13385	12.6
225.11380	7.7
227.51778	1.8
236.10486	3.0
243.17462	3.3
261.18518	4.1
279.19983	3.0
279.23300	16.2
285.03967	4.4
287.16428	10.1
305.17572	100.0
306.18015	3.5
313.17969	3.8
323.18631	47.2
324.18921	2.3
331.19278	2.7
341.21207	3.9
359.21881	1.9
415.24808	6.5
447.25055	5.7
493.29538	4.3
511.30640	30.0
511.38034	2.1
529.31659	18.0
543.79694	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	530.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41714	0.2
59.01383	2.1
61.63318	0.2
61.98830	100.0
65.00323	0.3
71.01379	1.0
73.02959	0.3
77.32343	0.2
78.06736	0.2
82.95420	0.4
83.01370	0.3
85.02978	0.4
87.29336	0.2
89.02456	1.3
97.02959	0.2
99.00907	0.2
101.02451	0.8
107.01403	0.6
109.02956	0.2
111.41045	0.2
113.02467	0.2
119.03507	0.3
124.50325	0.2
125.02437	0.3
133.02950	0.4
135.04523	1.6
149.04578	0.6
151.00356	1.8
161.02487	0.6
170.03932	0.2
173.04523	0.4
179.03464	0.3
191.05624	1.2
243.12459	0.2
269.04416	0.4
284.03412	0.6
285.04047	4.0
286.04416	0.8
287.05737	0.7
529.64026	0.3
530.26257	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30196	0.2
57.62768	0.2
59.01374	1.0
61.98830	100.0
69.03479	0.4
71.01389	0.7
73.02934	0.3
79.95710	0.3
82.95460	0.2
89.02464	0.6
93.03466	2.5
96.96015	7.0
96.96952	0.3
98.95564	0.3
101.02458	0.6
108.84941	0.2
113.02472	0.3
119.05048	0.6
129.99994	0.3
133.02968	0.4
135.04546	0.4
137.02443	6.7
149.04538	0.3
151.00372	0.2
161.02487	0.8
161.30035	0.2
173.04579	0.5
175.03990	0.2
177.01974	0.3
179.03462	0.3
183.00027	0.2
191.05652	0.7
198.17780	0.2
199.00671	0.4
220.02229	0.3
261.00778	0.3
336.06992	0.4
470.26053	0.7
495.15518	0.5
529.30164	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66698	1.1
59.01362	4.5
61.98830	13.0
69.88904	1.1
69.89236	3.1
71.01392	2.0
75.00881	2.5
78.95907	16.2
85.02956	2.1
89.02451	2.9
98.22552	1.9
113.02451	5.1
114.02772	1.3
114.05049	1.1
116.72531	1.0
152.99556	3.4
168.04295	3.7
187.85210	1.1
224.06953	8.2
242.07883	1.5
255.23286	100.0
256.23859	2.3
277.21738	8.1
279.23334	5.1
280.23645	8.2
341.57596	1.0
406.33243	1.1
429.62390	1.1
445.23529	2.9
446.24646	1.0
480.30960	74.0
481.31302	2.8
530.21295	4.2
530.30432	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	530.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75259	2.0
61.98810	7.2
62.54544	1.8
62.65289	1.7
63.57732	2.0
68.78654	1.7
69.04960	1.7
70.93555	1.8
76.61068	1.9
82.95428	3.8
85.28203	1.7
96.96021	3.1
140.93156	1.9
141.25266	1.6
156.42526	2.0
156.87199	1.7
218.47015	1.8
306.50580	2.0
308.20551	2.1
487.34299	100.0
488.34787	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	531.1139
Annotation	Trilobatin D
Peak:m/z	Relative Intensity
50.06028	0.9
59.01356	6.1
61.98822	2.9
71.01375	3.1
73.02931	1.3
80.09232	0.8
80.91669	1.2
82.95415	39.0
83.05002	1.0
84.95113	0.9
85.02946	9.4
87.00868	2.2
89.02442	2.4
93.03459	5.0
96.96001	2.5
97.18453	0.9
99.22900	0.8
101.02422	2.2
108.02251	0.8
109.02950	14.1
111.04531	1.2
113.02429	1.5
119.03477	0.9
121.02945	1.7
127.04019	2.1
131.05038	0.8
133.02956	7.5
134.03746	0.9
135.04504	2.8
137.02441	2.1
145.02942	5.3
145.38791	0.8
146.03741	1.1
147.04529	7.3
155.03526	1.2
157.02960	5.0
158.03679	1.5
159.04495	9.4
161.02443	4.9
171.02905	0.9
173.02390	1.9
173.04488	2.9
174.03174	0.9
175.03987	3.4
177.01930	4.0
179.03497	1.4
179.05649	1.0
185.02464	3.8
191.05606	67.2
192.05988	1.2
201.01843	1.2
201.78787	0.8
211.07584	1.2
221.05966	1.8
225.05472	1.0
229.01404	36.2
230.01952	0.9
233.06079	1.0
238.06248	1.5
239.07111	3.4
248.04784	1.4
249.05579	5.8
250.06339	2.0
251.07150	1.0
257.45309	0.8
265.05194	1.4
266.05746	2.0
267.06601	17.8
269.08197	4.0
277.05081	12.5
278.05670	1.3
280.03830	1.0
284.03140	1.1
285.04080	2.5
293.04480	5.8
294.05167	2.7
295.06104	29.0
296.06516	1.9
313.07175	1.4
339.05072	100.0
340.05426	3.4
411.14859	2.0
447.09317	3.6
449.20276	1.7
471.17365	2.6
487.12167	1.8
516.33197	0.9
531.11334	37.3
532.11914	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01940	1.2
69.03526	0.8
71.01447	1.0
71.09925	0.5
71.47338	0.6
72.99393	1.4
73.03037	0.8
75.00929	0.6
77.26775	0.4
78.36926	0.5
78.63830	0.5
83.01449	0.7
83.05141	0.5
85.03053	6.7
87.00984	2.3
89.02539	1.8
93.03568	3.6
101.02508	1.0
106.59666	0.5
108.02239	1.1
109.02954	12.1
111.00886	11.9
111.04628	1.5
113.02491	0.6
119.03512	4.3
121.03105	1.7
123.04633	0.6
126.90521	1.8
127.04022	2.6
129.02045	0.6
129.03577	0.8
133.03024	0.7
133.05148	1.3
135.04712	0.6
137.02551	0.9
145.02953	5.3
147.04555	4.6
154.99971	1.7
157.02934	4.9
158.03827	1.4
159.04529	7.2
161.02521	1.0
163.04103	0.7
173.01036	7.9
173.02570	1.8
173.04680	1.4
175.03998	3.0
185.02444	4.0
191.05611	52.9
192.06007	0.9
196.05482	1.2
197.06271	0.7
201.02031	1.3
203.03615	0.6
211.07755	1.3
221.06055	2.6
224.04826	0.9
225.05644	1.3
229.01416	32.7
230.01848	0.8
232.05421	0.6
237.05687	0.6
238.06392	0.8
239.07068	2.6
245.92729	0.6
248.04860	1.9
248.53355	0.5
249.05626	6.4
250.06461	2.2
251.07039	0.7
252.04300	0.7
253.05098	1.2
265.05164	1.4
266.05844	2.8
267.06625	15.4
268.07193	1.1
269.08405	1.2
276.04330	0.7
277.05060	11.8
278.05807	2.0
280.03848	0.9
293.04568	3.7
294.05344	3.2
295.06119	21.1
296.06473	0.8
319.27066	0.6
321.03955	0.6
339.05084	100.0
340.05374	3.9
427.73157	0.5
429.14014	0.7
460.50867	0.6
480.29575	0.5
487.12323	2.3
531.11200	19.7
531.17175	1.0
532.12183	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1143
Annotation	Trilobatin D
Peak:m/z	Relative Intensity
51.80223	0.4
59.01427	4.8
60.13325	0.4
66.00066	0.5
66.81931	0.4
67.01931	0.5
69.03483	0.7
71.01391	3.3
72.99364	0.6
73.02993	0.9
78.14698	0.5
81.03494	0.9
85.02960	8.2
86.31733	0.5
87.00968	1.5
89.02539	1.6
93.03465	5.0
96.33103	0.4
96.96086	1.7
98.22626	0.8
99.00961	0.6
101.02529	1.9
107.88870	0.4
108.02248	1.3
109.01108	0.4
109.02954	14.3
109.24923	0.5
111.00936	0.6
111.04589	1.3
113.02466	1.1
117.03520	0.5
119.03554	0.7
121.03032	1.7
125.06180	1.4
127.04104	1.8
129.03511	0.6
131.05074	0.6
133.03026	0.6
135.04607	0.7
137.02510	1.0
143.03601	1.4
143.07150	5.1
145.02948	5.5
145.03899	0.5
146.03799	0.8
147.04517	6.2
149.04610	0.5
155.03581	0.9
157.02965	5.6
158.03818	1.1
159.04515	10.4
161.02527	1.5
163.04083	0.8
171.03040	0.6
173.01180	0.8
173.02385	2.3
173.04652	2.0
174.03262	1.1
175.04015	3.0
179.05717	0.6
182.05609	0.5
185.02443	4.1
186.03331	1.2
187.04117	0.5
191.05623	52.0
193.06659	0.6
197.06157	1.0
201.01974	1.1
203.03510	0.9
209.06198	0.7
211.07707	1.0
221.06210	2.1
222.06927	0.6
223.07809	0.7
224.04790	1.1
225.05649	1.2
229.01422	32.8
230.02148	1.4
233.06326	0.5
238.06320	1.0
239.07167	2.3
248.04810	1.5
249.05591	6.5
249.07980	0.6
250.06367	1.9
253.05190	1.1
265.05151	1.5
266.05817	2.2
267.06604	14.9
269.08203	3.2
276.04315	1.3
277.05048	12.9
278.05777	2.6
293.04565	4.9
294.05386	2.1
295.06116	22.6
313.07043	1.2
321.04016	0.9
339.05084	100.0
340.05399	3.3
383.15677	1.7
457.63129	0.5
463.06696	0.5
487.12506	2.5
513.16132	0.6
519.96948	0.4
529.85211	0.5
531.11292	19.9
532.11664	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20378	0.7
57.03448	1.0
59.01378	16.5
65.03995	0.9
67.01883	4.8
68.99818	6.5
69.03455	9.9
69.28768	1.9
69.29176	2.4
71.01376	10.1
72.99297	1.9
73.02948	4.8
75.00882	1.8
81.03461	2.8
83.01384	0.9
85.02960	5.3
87.00878	12.2
88.98811	3.5
89.02443	10.8
91.91703	0.7
93.03454	4.3
95.01392	1.5
95.05037	3.2
97.02984	1.1
98.22614	1.8
99.00895	1.4
99.04509	1.7
101.02448	20.5
107.05053	1.7
109.02215	1.1
109.02956	18.2
111.00894	14.3
113.02441	4.4
119.03501	2.2
121.02943	6.0
121.06667	0.8
123.04509	2.7
123.42121	0.8
125.02463	5.7
127.04015	15.0
127.04861	1.5
131.03503	1.4
133.02997	2.6
133.05081	19.8
133.06596	1.5
134.03705	0.9
135.04533	5.4
137.02454	1.8
138.63123	0.7
139.04002	1.2
145.01465	1.0
145.02968	1.7
147.04543	2.3
147.08165	0.9
149.02477	8.4
149.04550	2.7
149.06041	1.2
150.02992	0.8
151.04001	1.5
153.01961	5.2
153.05521	3.8
154.99852	1.6
159.04498	4.6
161.02457	10.2
161.04541	1.0
161.06009	1.5
163.03996	2.0
165.05556	1.2
171.02982	5.4
173.00931	8.5
175.04013	1.6
177.05516	4.0
179.03448	3.9
179.07137	1.8
181.05078	1.2
185.02502	1.7
187.03987	3.8
191.03860	1.5
191.05602	13.7
193.05029	1.5
195.06599	2.2
203.03621	1.3
205.05016	7.1
223.06123	3.6
229.01407	6.9
237.07686	2.7
241.07135	1.6
249.03954	1.2
255.08842	1.0
267.04666	7.9
277.05093	2.7
278.05334	0.9
281.06561	1.2
295.06085	4.0
299.07739	12.5
337.09332	1.3
339.05084	23.6
344.86868	0.8
369.11838	5.5
371.13406	2.4
403.89169	0.8
415.12595	1.6
489.15680	1.8
493.23029	1.4
513.16034	3.5
531.17224	100.0
532.17767	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20378	0.7
57.03448	1.0
59.01378	16.5
65.03995	0.9
67.01883	4.8
68.99818	6.5
69.03455	9.9
69.28768	1.9
69.29176	2.4
71.01376	10.1
72.99297	1.9
73.02948	4.8
75.00882	1.8
81.03461	2.8
83.01384	0.9
85.02960	5.3
87.00878	12.2
88.98811	3.5
89.02443	10.8
91.91703	0.7
93.03454	4.3
95.01392	1.5
95.05037	3.2
97.02984	1.1
98.22614	1.8
99.00895	1.4
99.04509	1.7
101.02448	20.5
107.05053	1.7
109.02215	1.1
109.02956	18.2
111.00894	14.3
113.02441	4.4
119.03501	2.2
121.02943	6.0
121.06667	0.8
123.04509	2.7
123.42121	0.8
125.02463	5.7
127.04015	15.0
127.04861	1.5
131.03503	1.4
133.02997	2.6
133.05081	19.8
133.06596	1.5
134.03705	0.9
135.04533	5.4
137.02454	1.8
138.63123	0.7
139.04002	1.2
145.01465	1.0
145.02968	1.7
147.04543	2.3
147.08165	0.9
149.02477	8.4
149.04550	2.7
149.06041	1.2
150.02992	0.8
151.04001	1.5
153.01961	5.2
153.05521	3.8
154.99852	1.6
159.04498	4.6
161.02457	10.2
161.04541	1.0
161.06009	1.5
163.03996	2.0
165.05556	1.2
171.02982	5.4
173.00931	8.5
175.04013	1.6
177.05516	4.0
179.03448	3.9
179.07137	1.8
181.05078	1.2
185.02502	1.7
187.03987	3.8
191.03860	1.5
191.05602	13.7
193.05029	1.5
195.06599	2.2
203.03621	1.3
205.05016	7.1
223.06123	3.6
229.01407	6.9
237.07686	2.7
241.07135	1.6
249.03954	1.2
255.08842	1.0
267.04666	7.9
277.05093	2.7
278.05334	0.9
281.06561	1.2
295.06085	4.0
299.07739	12.5
337.09332	1.3
339.05084	23.6
344.86868	0.8
369.11838	5.5
371.13406	2.4
403.89169	0.8
415.12595	1.6
489.15680	1.8
493.23029	1.4
513.16034	3.5
531.17224	100.0
532.17767	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
55.40080	0.7
57.03444	1.6
59.01381	22.5
61.98817	1.2
69.03443	0.8
69.26653	2.9
71.01381	25.2
72.71577	0.6
72.99305	0.8
73.02953	10.3
75.00890	0.6
76.39732	0.6
82.95425	1.2
83.01385	3.3
85.02955	10.6
86.00094	0.9
87.00889	3.9
87.04488	2.0
88.98830	0.9
89.02452	6.2
95.01397	2.1
97.20833	0.6
99.00874	2.4
101.02440	17.0
103.04001	3.0
113.02450	12.0
115.04015	3.8
119.03514	2.3
121.03014	1.0
123.04543	1.1
128.85655	0.7
131.03508	3.8
143.03500	6.8
145.05092	1.4
145.87791	0.7
148.05310	100.0
149.05658	1.0
152.01157	1.1
153.05598	2.1
159.03058	1.8
161.04553	24.5
163.06305	2.6
163.07646	75.8
164.07983	1.1
179.05591	0.7
191.05695	1.1
205.07123	4.9
237.16074	0.8
307.10202	1.5
325.12933	3.0
380.78024	0.7
387.69739	0.8
471.18713	64.8
472.19162	2.8
495.31772	1.9
531.16864	1.6
531.29565	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	531.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02375	0.6
57.03448	3.0
59.01376	4.4
67.05525	1.1
69.03448	2.8
69.53199	0.6
69.95233	1.5
71.05017	1.6
71.30774	0.6
78.95925	0.8
80.02665	1.6
81.03450	2.3
82.95408	2.0
83.05030	2.4
93.03453	1.4
95.05029	2.7
96.96001	4.9
97.02950	2.6
97.06588	2.5
99.04520	1.0
106.04273	1.6
108.02147	0.8
109.02961	1.4
109.06597	2.2
110.03727	0.6
121.06609	1.5
123.04531	4.0
123.08166	1.9
125.06067	1.0
125.09706	6.8
135.08157	3.7
136.05292	0.8
137.09746	3.9
139.07574	0.8
140.42207	0.8
141.05589	3.0
141.12802	1.1
149.09692	1.3
150.10492	0.6
151.11211	1.3
152.99605	0.8
153.09224	9.8
161.09715	1.1
163.07558	1.0
163.11296	7.0
165.09230	1.1
165.12743	1.1
167.10808	2.7
171.10252	14.4
177.12848	2.2
179.10728	2.3
179.14386	2.7
181.12360	2.2
185.11813	8.3
189.12708	0.7
191.10771	1.0
191.14421	9.0
195.13913	7.3
197.11826	2.8
205.12306	6.9
207.10266	4.5
209.11838	7.9
211.13416	1.3
217.15959	1.4
223.13385	44.2
225.11320	4.9
227.12709	0.8
243.17471	0.9
245.19095	23.5
255.12247	0.7
263.20230	1.5
271.17047	2.2
289.18085	97.6
290.18381	3.0
307.19128	100.0
308.19565	3.6
325.20187	27.8
341.21176	1.1
359.22260	1.3
480.82645	0.7
495.30997	2.8
513.32153	5.0
531.33093	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	51.9
65.86421	1.2
67.01888	1.9
69.03458	9.1
71.01382	26.1
73.02957	6.8
79.19291	1.2
81.03455	55.4
85.02947	4.8
87.00871	2.0
87.04514	1.5
89.02448	48.5
93.03442	2.6
95.05026	3.2
99.00882	9.5
101.02441	18.8
113.02426	8.0
119.03480	6.3
119.70488	1.4
125.02446	100.0
131.03499	4.8
133.02959	1.7
133.05089	6.9
134.05406	1.6
135.04539	12.8
137.02469	1.5
143.03514	1.6
149.02498	4.6
149.04541	23.2
151.07639	10.2
155.03694	1.5
161.02499	3.0
161.04527	3.1
167.07025	1.5
173.04594	5.1
179.03574	2.5
179.05634	3.8
191.05595	14.9
192.05984	2.5
195.06636	12.3
196.83649	1.4
221.06482	1.6
251.07698	3.1
293.08838	6.2
311.09717	3.0
339.05237	2.2
340.05350	5.6
371.09729	6.9
489.15881	69.2
490.16730	3.0
532.17139	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	532.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	3.1
59.01366	8.6
69.26521	11.4
71.05025	2.4
74.15710	2.6
85.06590	5.9
98.22641	3.4
115.07651	100.0
157.18936	2.1
206.33234	2.2
226.88387	2.7
337.31247	3.2
355.32153	12.1
379.32043	6.2
397.33234	13.0
456.35556	2.8
464.61816	2.4
532.29535	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	532.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	27.2
61.39139	8.1
61.98822	31.2
64.91421	7.2
70.72995	16.4
78.95901	16.0
118.60712	8.0
152.99567	23.9
164.31273	8.4
225.22307	10.2
235.31181	7.7
249.72757	9.0
279.23291	15.2
338.71786	9.6
355.32199	100.0
397.33322	10.0
404.73907	9.9
422.23999	8.0
432.47342	9.1
447.25098	13.2
451.28787	9.3
490.00479	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	533.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08169	2.5
59.01380	61.4
69.03440	5.3
71.01382	20.5
71.43790	3.3
83.01363	3.1
85.02943	15.6
87.00880	9.3
89.02449	6.1
93.03445	12.0
96.96067	2.7
99.00870	4.0
101.02408	5.4
108.02196	3.5
109.02970	4.7
111.04535	3.1
113.02470	6.8
118.95123	2.5
118.96619	20.2
121.02935	3.8
123.04498	3.1
132.98218	16.9
133.02943	6.6
135.04536	25.7
137.02435	2.8
140.98692	2.6
142.96635	4.6
143.00232	2.5
145.02899	3.2
146.03668	3.2
149.38716	2.8
150.03217	4.8
153.97656	2.4
156.98175	4.1
159.05800	2.5
160.96558	2.7
160.97673	16.2
161.02449	12.3
162.03152	4.3
163.03978	5.6
165.05502	4.3
168.98175	7.9
170.99759	7.6
173.00961	4.7
173.04492	7.1
174.99217	25.6
175.02512	4.3
177.05620	3.7
179.03445	6.4
180.04326	2.7
182.99707	5.7
184.97675	9.5
185.01280	14.4
186.99242	3.9
189.00775	4.7
191.05618	91.2
197.01390	3.2
198.99223	7.4
210.99232	64.2
216.98317	4.7
217.00282	74.0
222.99159	3.1
223.02878	6.7
226.98753	4.0
234.99188	4.6
235.99971	3.8
246.99249	7.9
249.97865	3.2
251.99602	3.2
259.01346	17.4
259.99832	4.2
262.01492	8.8
267.05447	8.1
269.03467	3.7
277.00455	3.7
277.03854	13.0
279.99075	3.7
289.02228	6.9
291.98813	4.7
293.03458	8.2
294.00668	5.3
295.05014	5.4
296.98978	3.2
299.01056	18.6
299.03906	4.4
303.99136	3.2
305.03287	6.0
311.04501	6.8
324.98737	54.4
325.99326	3.5
326.96671	7.6
335.04407	4.6
335.69092	2.6
342.99844	7.3
359.06418	6.7
368.97653	16.5
374.99164	41.1
380.03558	3.0
385.00845	3.0
395.06897	5.1
413.00739	12.3
413.07416	10.1
425.07593	6.4
451.05261	8.7
455.08688	100.0
473.03354	7.3
473.09708	71.1
474.10037	3.1
491.03552	9.9
533.04645	36.7
533.15057	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73406	0.8
56.33508	0.7
57.03429	1.9
59.01378	41.5
60.45340	0.7
61.98818	2.9
62.59170	0.9
68.99812	0.9
69.03455	10.1
71.01379	20.9
72.99305	2.2
73.02943	2.2
73.23260	0.9
83.01376	2.2
85.02946	8.0
87.00877	21.6
87.04498	1.1
89.02440	24.3
93.03458	1.4
95.01398	2.6
96.96013	4.5
97.02946	14.5
98.22619	3.0
98.91374	0.9
99.00861	2.6
101.02435	17.5
109.02972	1.2
113.02458	9.0
119.03505	8.8
125.02384	1.0
126.90360	1.1
129.01924	2.1
131.03468	1.7
132.02180	0.8
133.02951	10.4
134.03754	1.4
135.04527	16.7
141.01910	6.2
143.03526	1.6
145.01332	2.1
149.04564	3.3
149.06061	2.2
151.03951	1.1
153.13194	0.7
155.03430	1.0
161.01096	1.2
161.02441	24.7
161.04468	4.4
162.02638	1.0
173.04533	3.4
176.04715	0.9
177.02023	1.1
177.05617	2.3
179.03479	10.2
179.05038	1.1
179.05698	1.7
183.15749	1.0
191.05623	10.1
194.05832	1.8
209.08217	2.2
214.65889	0.9
221.04538	3.5
221.06557	1.4
233.06648	1.0
251.05579	1.3
281.06653	3.2
293.08856	1.3
311.04871	0.7
321.08176	2.2
323.09586	1.2
341.08670	2.4
353.08908	0.9
371.11951	100.0
372.12479	4.1
483.11487	3.6
515.14130	2.5
533.15051	69.3
534.15302	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	533.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.1
59.01380	7.7
65.95608	0.4
67.01893	3.8
67.78488	0.4
69.03468	0.8
69.99300	0.9
69.99633	0.6
71.01379	5.7
73.02940	1.3
81.03461	0.8
83.01388	1.0
83.05033	0.9
85.02950	1.7
86.05995	0.4
87.00890	0.7
87.89817	0.4
89.02444	2.7
93.03458	20.9
99.00912	0.8
101.02450	3.3
111.00864	0.9
111.04515	4.6
113.02450	1.9
117.03497	0.7
119.03494	1.0
133.02951	1.6
134.03731	1.3
135.04503	4.7
137.02437	5.3
145.02943	1.8
153.09206	11.9
153.10440	0.8
155.03497	4.3
161.02429	4.1
161.04550	1.9
173.04547	100.0
174.04872	1.5
178.02646	0.4
179.03503	6.7
179.05585	1.0
191.05635	4.6
193.05093	0.5
197.08145	5.0
210.53453	0.5
221.06589	0.7
285.04050	0.9
309.14981	0.8
327.14340	0.5
331.80457	0.5
353.13974	0.7
371.13440	61.9
372.13815	1.9
387.16629	1.0
399.35910	0.5
533.17706	0.9
533.25574	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	533.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
55.74396	0.2
57.03440	0.9
57.08143	0.3
59.01379	11.0
68.83023	0.3
68.99863	0.3
69.03433	0.8
69.69065	0.7
71.01383	16.3
72.99311	0.4
73.02955	4.3
81.03490	0.4
82.95425	1.7
83.01383	2.1
84.95130	2.3
85.02946	5.5
87.00879	1.2
89.02448	6.2
89.02994	0.3
93.03489	0.4
95.01415	0.8
96.95991	0.3
97.02959	0.9
99.00867	1.5
101.02445	12.1
105.03476	0.7
107.05043	0.6
109.02989	1.5
111.00841	0.6
113.02452	6.4
117.03484	0.8
118.02740	0.3
119.03496	1.8
119.05004	0.3
121.02972	0.8
125.02465	1.1
131.03549	0.6
132.02184	1.3
133.01903	0.5
133.02962	34.6
134.03757	5.8
135.04529	37.9
136.04861	0.7
137.02454	1.2
139.04007	0.3
139.32384	0.3
143.03476	1.0
147.04572	0.9
148.05238	0.3
149.04559	0.9
149.06076	2.1
151.04007	2.6
159.02995	0.8
159.04427	0.6
160.01666	0.7
161.02449	100.0
161.04370	6.3
162.02765	2.0
163.04039	0.5
175.04010	2.1
176.04781	5.4
177.01932	1.0
177.05550	4.5
177.67155	0.3
178.02687	0.7
179.03499	37.0
180.04129	1.3
189.05513	0.3
191.05620	1.1
191.07169	2.1
194.05844	14.8
195.06630	2.1
203.03525	2.5
209.08192	9.1
209.15515	0.9
220.03764	0.8
221.04533	6.3
221.06586	0.6
223.08690	0.3
232.19388	0.3
233.04504	0.4
233.06599	0.3
245.04523	0.4
251.05672	0.7
257.04376	0.3
263.05563	1.6
280.06012	0.8
285.03973	0.4
313.10489	0.3
323.07715	75.4
324.08044	2.2
337.09344	1.1
371.16061	0.6
371.20746	10.0
533.16711	43.7
533.25977	15.0
534.17041	2.3
534.25745	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
59.01375	1.5
67.01883	0.3
69.52000	0.7
71.01368	0.7
81.03410	0.3
85.02953	7.4
87.00881	1.8
93.03453	2.1
99.00851	0.3
99.04502	0.4
109.02958	0.6
111.04517	0.8
127.03996	1.9
128.47705	0.2
129.01915	0.4
129.58734	0.2
171.03006	0.3
173.04530	1.0
189.84200	0.2
191.05605	100.0
192.05942	1.6
235.74051	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24062	0.2
57.03442	0.4
57.62703	0.2
59.01367	1.5
62.16801	0.2
63.67695	0.2
63.93560	0.2
67.62857	0.2
70.96322	0.3
71.01373	0.9
73.02962	0.2
83.05000	0.4
85.02950	8.0
87.00879	1.6
93.03446	2.4
98.16082	0.2
109.02939	0.8
111.04494	0.9
121.13027	0.2
124.53235	0.2
127.04015	2.3
129.01970	0.6
155.03503	0.3
171.02969	0.6
173.04538	1.2
191.05606	100.0
192.05931	1.6
217.41426	0.2
289.02798	0.2
533.34668	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.8
59.01384	4.1
61.98857	1.4
78.95904	8.8
81.03511	2.0
83.05083	1.7
85.06647	1.9
97.03000	2.3
97.06631	1.3
98.69971	0.6
109.06599	8.2
110.98531	5.3
116.86198	0.7
121.06677	0.8
123.04595	1.4
123.08202	0.8
123.86158	0.7
125.09774	1.2
128.85448	0.7
129.59625	0.8
130.72260	0.7
135.08189	1.6
153.09216	1.8
163.11275	4.7
165.12936	1.7
167.01160	2.3
171.10336	3.2
175.21948	0.7
179.10869	0.8
181.12404	2.2
185.02138	4.4
185.11856	2.0
191.14441	1.3
199.13393	14.3
207.10265	12.4
209.11792	3.5
211.13515	0.9
223.13472	2.8
225.11328	11.3
233.02148	0.6
245.04034	0.7
245.19128	3.4
261.18716	0.7
262.38409	0.6
279.19659	9.2
289.18109	15.3
291.19601	1.1
305.17636	2.2
307.19107	20.0
309.20712	1.9
323.18436	0.9
325.20169	5.8
347.25946	6.4
361.42081	0.8
363.25446	0.9
365.26926	100.0
366.27399	5.1
515.29822	2.1
533.28766	23.6
534.29712	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	13.3
61.98831	2.7
69.17532	5.3
69.17953	4.6
78.95907	6.2
79.41192	1.8
81.03451	5.8
83.05031	5.7
84.02190	2.0
88.98886	1.4
95.05023	3.2
96.96003	2.2
97.02956	9.6
97.06615	1.8
98.22596	3.6
99.04504	1.5
107.04993	1.9
109.06594	40.3
110.03751	6.4
110.98533	2.4
111.24130	1.5
113.06148	2.4
115.84528	1.5
121.06612	4.1
123.04539	3.5
123.08191	2.3
125.09719	7.2
127.07645	2.0
135.08200	7.4
136.05305	2.7
137.09755	3.8
141.05606	4.1
147.37656	1.8
152.99576	1.8
153.09268	11.6
160.36919	1.4
163.09993	2.3
163.11293	27.4
165.09198	2.6
165.12834	2.3
171.10265	15.6
175.11252	1.6
175.37813	2.0
179.10831	1.5
181.12309	9.5
185.02254	2.2
185.11803	6.8
188.90837	1.6
191.14368	8.8
199.13426	8.2
207.10260	70.0
209.11879	9.2
211.13254	1.9
225.11336	67.4
245.19147	20.2
271.17154	1.8
278.77161	1.7
279.19531	7.3
289.18112	81.9
305.17578	2.7
307.19156	100.0
325.20233	32.5
343.19183	2.5
347.25943	4.0
365.26962	62.7
366.27164	2.1
497.28699	2.4
515.30518	7.5
533.28796	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	533.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07889	0.9
57.03431	1.1
59.01368	3.1
61.98812	1.2
68.99786	1.0
69.63113	0.9
71.05027	1.4
71.46205	1.3
78.95895	6.1
80.02721	2.4
80.09167	0.9
81.03455	4.3
83.05027	10.7
84.02163	1.7
93.03481	1.5
95.05038	2.3
97.06600	3.0
101.02419	1.2
107.04454	1.1
107.05043	10.3
109.06595	5.6
110.03751	2.3
110.80540	1.0
110.98498	2.3
115.19899	0.9
121.02953	1.7
123.00836	1.2
123.04505	1.2
123.08170	1.9
125.02439	1.6
125.06069	4.2
125.09731	13.0
135.08145	7.7
137.80507	1.1
147.04546	1.4
152.99599	1.6
153.09210	10.1
161.06088	1.5
163.11284	9.4
165.12859	5.6
171.10333	1.0
176.08354	2.2
178.09978	3.1
179.10727	1.6
179.14680	0.9
181.12346	2.8
185.02173	1.3
185.11807	10.6
187.09811	1.4
191.10728	2.7
197.11804	9.3
199.13382	9.9
207.10248	7.1
209.11821	100.0
210.12195	2.2
211.13339	1.8
223.13342	1.6
225.11304	7.7
227.12865	7.3
231.13937	1.4
236.10587	1.7
243.17509	2.2
253.10861	1.2
261.18607	4.2
263.16388	1.3
277.18103	1.6
279.19693	3.3
287.16464	9.3
289.18176	1.8
291.19598	1.0
305.17560	90.9
306.17880	3.2
307.18933	1.5
309.20770	1.3
317.17593	2.7
323.18628	54.5
327.19543	2.3
335.18442	1.9
345.20587	3.4
347.25821	2.3
363.21655	1.3
365.26941	49.4
366.27444	1.9
401.23206	2.4
419.24289	3.7
453.30246	1.5
497.28995	6.1
515.30103	24.1
516.30811	1.7
533.13458	1.4
533.30298	18.6
551.47675	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.1
61.98830	100.0
62.42350	0.2
66.89558	0.2
69.03438	0.2
69.21686	0.2
69.54332	0.6
70.88427	0.2
71.01392	0.6
73.02948	0.3
77.08224	0.2
77.09238	0.2
85.02968	0.4
85.65555	0.2
89.02460	0.9
90.02796	0.2
96.27439	0.2
98.22652	0.3
101.02477	0.7
109.02965	0.2
113.02455	0.4
120.16687	0.2
135.04523	0.3
148.05310	0.4
149.04573	0.4
150.04948	0.2
154.71490	0.2
161.02451	0.5
164.08078	0.2
173.04594	0.5
191.05658	0.8
256.48541	0.2
343.11929	0.2
410.93610	0.2
448.31955	0.2
474.19717	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.4
61.98827	1.4
71.01381	4.9
71.32193	1.1
78.95886	3.7
85.02946	1.5
88.98796	2.0
89.02445	4.0
89.32189	1.2
101.02457	5.6
113.02432	2.3
119.03495	2.7
137.16905	1.2
149.51048	1.2
152.99594	3.1
161.04562	1.6
173.43005	1.1
196.89462	3.3
197.89418	1.6
235.08095	1.5
241.94049	1.4
253.09297	20.4
255.23293	100.0
256.23584	3.0
294.92352	1.7
437.73596	1.1
455.77625	1.2
495.48129	1.2
539.40582	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03240	1.2
59.01378	32.9
61.98830	2.8
68.99807	1.8
69.03454	3.4
70.54721	2.0
71.01379	19.8
73.02943	9.6
82.95439	2.3
83.01392	5.6
84.95115	4.8
85.02962	3.1
87.00883	1.6
89.02448	37.7
93.03463	2.1
95.01402	2.4
96.96008	3.4
97.02959	4.1
99.00887	14.3
101.02438	16.7
103.00390	1.5
104.47315	1.3
105.39412	1.2
108.02232	1.4
109.02953	11.3
111.00903	1.5
113.02445	5.3
113.61586	1.5
115.00388	4.1
119.03493	2.5
121.06577	4.6
121.16544	1.4
123.04539	2.9
125.02496	1.4
127.04035	1.5
131.03502	5.5
133.02954	3.9
135.04550	3.3
137.02451	3.6
139.00366	1.8
145.02969	3.7
147.04564	4.8
148.05266	4.6
149.04581	19.1
149.06079	100.0
150.03247	3.5
150.06355	2.1
151.04042	2.0
153.05513	1.4
155.03520	7.4
161.02457	13.2
161.06111	2.5
163.04015	8.9
165.01929	2.7
165.05594	9.3
167.03519	1.2
169.32466	1.6
175.04001	16.7
177.01917	15.1
179.03519	1.7
187.03978	2.8
189.05540	3.8
191.03665	1.9
191.05620	6.7
193.05048	20.5
203.07230	1.8
205.05057	1.7
206.02174	1.5
219.02975	39.9
221.06628	2.1
231.02991	1.6
231.06612	3.1
233.04547	15.3
237.04044	67.6
238.04340	1.7
251.07803	2.0
259.02420	3.1
277.03506	6.7
285.11356	3.2
293.06647	3.1
303.07098	2.0
319.04776	6.0
337.05655	95.7
338.05981	1.8
343.57382	1.3
357.84549	1.4
373.11267	1.4
381.08148	6.7
399.09171	8.6
439.08759	4.8
445.13632	1.4
481.09979	13.9
499.10934	71.1
500.11618	3.0
535.08362	4.2
535.16437	10.7
535.23975	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	535.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
59.01377	6.5
59.42800	0.5
61.01394	0.5
61.98822	0.9
65.00346	0.9
67.01880	0.7
69.03455	7.7
69.19814	3.3
71.01379	3.8
73.02934	0.8
83.01384	1.1
83.26504	0.5
85.02956	1.3
87.00882	0.9
89.02448	3.4
93.03473	2.9
95.01410	0.6
97.02955	28.7
98.22675	1.0
101.02470	2.6
105.03471	0.8
107.01403	0.6
107.05022	0.7
108.02219	0.7
109.02958	0.9
113.02460	1.4
114.04382	0.5
117.03471	0.7
117.80344	0.6
119.03501	0.7
119.05115	0.6
123.04545	5.1
125.02461	4.4
131.01323	0.5
132.02202	1.0
133.02959	22.6
134.03726	3.9
135.04530	37.0
136.04848	0.6
137.02448	1.3
141.01945	5.0
147.04482	0.5
148.05269	1.2
149.06091	7.4
151.00392	7.0
159.00879	1.4
160.01624	0.8
161.02448	100.0
162.02899	1.7
163.03989	0.6
165.01855	0.8
167.07138	1.1
169.01413	1.3
173.04593	2.8
175.00378	1.0
177.01863	0.8
177.05568	11.5
178.02737	0.9
179.03502	38.0
189.01938	13.3
191.05612	2.7
193.05093	1.8
195.04546	0.7
203.03535	1.4
205.49446	0.8
221.04556	14.6
247.02454	1.7
251.05644	4.4
263.01926	0.9
266.02145	1.1
267.03171	0.9
280.05847	0.7
281.06683	11.0
287.05505	1.5
295.02481	8.5
296.03174	1.7
322.01227	2.8
323.01938	3.2
323.07663	5.9
331.06738	2.0
341.03067	3.5
341.08594	2.7
353.08731	1.6
354.03784	5.1
355.04565	3.2
373.05673	12.3
373.11221	1.8
393.11963	3.7
412.91110	0.6
458.08734	1.0
491.15561	12.6
499.12094	1.1
503.08505	6.5
517.09833	5.8
535.14587	64.7
536.14862	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05989	0.9
55.01875	1.1
59.01383	26.0
68.99817	2.8
69.03455	1.5
69.23927	4.8
71.01383	16.5
72.99330	1.0
73.02952	4.1
75.00879	1.4
77.00052	0.9
82.95470	1.1
83.01360	1.4
85.02949	6.0
87.00879	2.0
89.02443	18.6
93.03440	2.1
95.01389	5.5
96.95992	1.3
97.02943	1.2
98.22697	2.1
99.00889	3.8
101.02445	14.1
108.02181	3.8
108.18619	1.0
109.02956	7.9
113.02450	5.3
116.20808	1.1
119.03504	4.1
121.02945	1.5
122.03783	1.4
123.00985	1.1
123.04528	8.2
131.03519	2.8
132.02185	2.4
133.02953	37.4
134.03751	18.8
135.04533	27.6
136.01656	21.9
137.02362	1.5
143.03514	1.2
143.04620	1.7
145.03012	1.1
147.04509	2.6
148.01717	2.8
149.04576	5.1
149.06084	9.1
150.03229	1.4
151.04008	35.1
152.04733	3.2
153.05576	4.3
155.03523	13.4
158.03748	1.3
159.04498	2.5
160.05367	2.5
161.02448	100.0
163.03995	3.7
165.05574	2.3
167.07135	1.7
171.04610	1.3
173.04617	1.7
173.06027	1.3
175.03987	5.3
175.07535	1.6
176.04726	7.4
177.05568	4.8
178.02711	2.8
178.06401	1.6
179.03462	18.6
179.05757	1.3
181.05087	3.2
189.05527	1.4
191.05574	3.1
191.07153	8.0
193.05023	5.9
203.03560	1.3
207.05093	4.3
211.06075	2.5
213.37971	1.1
219.06636	1.3
221.04578	4.3
221.08189	4.3
242.05855	2.0
249.07716	3.3
257.08206	1.7
263.05383	1.1
267.06601	4.0
268.07501	1.2
279.06696	1.3
281.08292	1.1
282.08960	5.2
293.08734	1.7
297.11304	10.5
306.07596	3.0
307.07727	1.0
310.08441	1.9
311.09549	1.4
312.10056	2.8
313.10815	1.0
315.12521	2.8
316.12750	2.8
323.07706	41.1
325.10861	3.3
327.12399	19.0
328.12823	1.5
329.13718	6.1
355.12030	1.2
373.12851	13.7
461.14563	2.4
465.16183	1.9
473.14621	22.4
475.12473	3.3
475.18274	2.2
491.15762	5.1
503.16791	1.9
505.13385	6.3
517.13495	16.1
535.14655	23.3
535.24249	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	535.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73315	0.7
51.26662	0.6
57.03442	1.6
59.01379	34.7
60.99311	0.9
61.98820	2.3
66.66535	0.6
67.01889	9.0
68.99815	13.0
69.03458	17.1
69.38421	2.9
71.01379	21.2
72.99308	0.7
73.02944	6.1
75.00858	0.9
79.01879	0.7
81.03455	0.9
83.01395	1.0
83.05014	1.0
85.02941	3.8
87.00869	2.7
89.02444	28.3
93.03449	2.3
95.01385	24.0
97.02956	8.2
99.00876	12.8
101.02444	32.5
105.03459	0.8
109.02972	1.2
111.00893	0.6
113.02425	5.6
115.04015	1.1
116.92880	1.1
119.03526	3.9
121.02968	3.0
123.00902	1.0
123.04535	6.3
125.02443	2.4
127.04013	21.1
129.01958	0.7
131.03511	4.2
133.02968	3.0
135.04449	0.8
135.08206	0.7
143.03508	1.2
145.14253	0.8
147.03055	1.2
147.08066	0.8
149.02426	1.9
149.04559	11.0
149.05908	1.0
151.04018	1.6
153.05573	0.8
155.03506	100.0
156.03833	1.0
161.02504	1.2
161.04555	1.8
162.06960	0.7
169.05016	0.9
175.03999	0.7
175.07706	0.8
179.03590	1.0
179.05611	3.7
191.05635	4.8
193.05070	3.0
197.04639	0.8
205.12341	2.8
211.06056	3.2
221.06638	1.3
223.13379	1.7
227.05730	0.7
233.06575	1.4
241.07207	1.6
293.08850	2.2
303.07196	22.2
325.10892	0.9
341.08768	1.3
373.11316	2.0
403.20084	1.4
437.84995	0.8
505.15491	1.3
535.16663	97.9
535.24042	14.1
536.17340	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.7
57.03449	1.7
59.01381	18.8
67.01888	1.7
68.88556	0.6
68.99493	0.6
68.99809	4.6
69.03455	6.3
71.01384	13.6
73.02948	30.5
75.00871	0.8
83.01371	1.5
85.02941	6.0
85.33467	0.6
87.00874	1.9
89.02438	12.5
93.03466	2.2
95.01388	20.6
97.02949	10.7
99.00880	1.3
101.02450	18.6
101.65308	0.6
111.00896	1.5
113.02464	5.9
119.03512	3.0
121.02959	1.5
122.03759	0.6
123.00837	1.3
123.04528	10.3
125.02419	0.7
126.04408	0.6
127.04020	1.4
129.01984	0.7
131.03494	2.2
134.09563	0.7
141.01944	1.2
143.03491	1.3
149.04544	1.8
149.06070	3.0
155.03510	90.8
159.18068	0.7
161.04536	2.7
161.08212	2.8
162.09294	0.6
169.04771	0.7
173.00909	0.7
173.04556	2.5
179.05630	2.7
181.05000	0.9
191.05650	2.1
193.05032	4.6
197.08231	0.9
203.26089	0.6
221.06728	2.1
257.33203	0.6
285.11215	1.2
287.41351	0.7
303.07208	5.9
373.11475	3.0
535.16675	100.0
536.17133	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	535.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	36.0
67.01878	2.2
68.99819	1.8
69.03458	6.7
70.79347	2.5
71.01015	1.6
71.01384	27.2
72.99268	1.3
73.02943	15.2
81.03457	60.5
85.02942	6.8
87.00874	4.8
89.02440	38.1
95.01408	6.7
95.05033	2.3
96.96001	1.4
97.02965	3.2
99.00877	12.2
101.02444	20.3
106.65813	1.2
111.75243	1.2
113.02444	5.7
115.04025	1.5
119.03493	4.6
123.04510	1.9
125.02447	100.0
126.02801	1.2
127.04043	1.7
131.03497	6.6
133.02930	2.6
135.04463	1.5
149.02431	3.6
149.04552	25.0
151.07651	10.6
155.03505	26.7
161.04544	2.1
167.07086	2.8
173.04512	1.3
177.01749	1.4
177.05487	2.3
191.05687	7.2
191.07074	1.2
195.06607	13.1
221.06563	2.1
251.07704	3.5
293.08679	7.5
303.07089	2.6
311.09851	2.1
323.07574	1.6
326.18802	1.7
355.11349	1.8
489.16010	84.5
490.16238	1.9
531.87244	1.4
535.16730	27.4
535.24274	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	535.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66642	1.5
55.03590	1.4
55.94403	1.7
57.03453	2.1
59.01377	91.4
60.99293	6.2
61.06323	1.7
61.98820	2.8
67.01891	2.0
68.43111	1.5
68.99804	3.1
69.03453	26.4
71.01378	61.5
71.45113	1.5
72.99325	2.6
73.02938	15.6
79.01864	1.6
81.03422	1.6
85.02956	13.2
87.00877	7.6
88.98798	42.3
89.02441	80.4
93.03448	7.7
95.01384	5.9
95.05042	2.4
97.02950	80.2
97.83598	1.5
99.00887	11.2
101.02438	48.0
101.77454	1.5
105.03457	1.9
111.00905	2.4
113.02449	25.9
117.05581	2.7
119.03493	20.7
121.02940	2.4
121.06583	2.0
123.04521	17.0
125.02460	4.5
127.03980	2.5
129.01883	1.5
131.03506	12.3
133.02922	2.9
134.03749	2.5
135.04530	5.6
141.01927	5.1
143.03476	5.2
149.04555	17.8
149.06078	12.9
150.03183	2.5
155.03488	13.9
161.02469	8.8
161.04547	11.5
165.05530	8.0
167.07144	8.8
172.24066	1.4
179.03606	3.5
179.05592	33.2
185.06027	1.3
191.05571	6.9
193.05034	19.0
207.64433	1.7
214.59076	1.3
221.04692	2.1
221.06625	13.2
280.62509	1.5
285.11288	2.8
337.05545	2.7
369.71539	1.7
373.11407	3.1
395.83542	1.5
437.20093	2.4
445.13449	10.9
467.94150	1.8
481.09512	1.5
489.39633	1.9
535.16681	100.0
535.23596	5.5
536.16730	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	535.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.8
57.03455	5.9
59.01378	84.6
67.01894	4.5
68.99811	4.6
69.03455	29.4
69.76031	2.6
69.76379	8.4
71.01382	73.8
71.01781	3.7
72.85928	2.3
73.02950	9.3
73.57700	2.2
75.00894	3.2
81.03477	2.1
83.01399	9.1
85.02955	47.3
87.00854	6.1
88.98817	8.5
89.02448	73.1
93.03473	11.2
95.01383	23.4
96.96027	9.2
97.02950	56.3
98.22491	3.1
99.00877	7.3
101.02443	39.5
109.02959	2.9
111.00877	24.8
113.02453	100.0
119.03513	26.5
121.02985	7.0
123.04514	13.6
125.02457	20.0
127.04008	7.1
131.03511	8.8
133.02972	4.6
137.02470	7.8
141.02007	3.3
141.10616	2.6
143.03526	9.7
143.32428	2.7
149.04611	11.5
149.05983	12.7
151.04016	35.0
155.03510	25.5
161.04543	21.3
167.07132	4.3
174.81381	2.4
179.05623	18.8
181.05122	4.1
191.05696	3.2
192.40306	2.7
193.05042	23.6
221.06682	9.0
224.32410	2.2
242.05893	4.4
263.07773	6.4
285.11292	15.6
323.09830	21.7
373.11496	7.9
424.11548	3.3
475.14487	8.4
535.16589	95.7
535.23706	4.6
536.16803	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	535.182
Annotation	CHEBI:68132
Peak:m/z	Relative Intensity
54.98210	0.3
59.01377	4.4
62.27690	0.3
67.01892	0.4
69.03452	0.9
70.77465	0.3
71.01385	2.8
71.13292	0.3
71.43826	0.4
72.99314	0.8
73.02930	0.7
82.95397	0.4
83.01366	0.4
84.02165	0.3
85.02949	1.4
88.98803	1.1
89.02441	3.0
93.03468	0.8
99.00893	0.4
101.02443	2.2
108.02159	0.9
109.02966	1.6
111.00876	0.6
111.04527	0.4
113.02451	0.9
117.97337	0.4
119.03526	0.9
121.02876	0.3
123.04553	0.8
124.01700	0.7
125.02435	1.2
133.02939	1.2
134.03737	0.8
135.04553	2.0
136.01663	34.3
137.02451	8.4
138.03236	5.9
139.00400	0.4
140.01112	0.5
147.04552	0.7
149.02448	0.4
149.04524	0.6
149.06108	0.4
150.03221	1.4
151.04007	43.1
152.01155	6.4
152.04362	0.7
153.01971	2.4
159.04506	0.4
160.05313	1.4
161.02444	3.6
162.03235	0.7
163.04008	1.1
165.05569	0.8
166.02765	0.9
166.05057	1.7
167.03490	5.7
167.05461	0.7
173.04562	1.6
175.04022	1.0
175.07677	0.9
177.01950	1.5
177.05569	1.7
178.02747	1.3
179.03503	4.4
180.04128	0.5
181.05110	0.8
189.05650	0.4
191.03474	0.9
191.05621	2.4
191.07162	0.5
192.04231	0.8
193.05145	0.9
195.02980	1.6
205.05035	0.7
206.05844	1.2
207.06581	1.0
221.08266	1.0
283.04916	0.4
285.03967	0.8
312.10138	0.6
327.08835	0.4
340.09390	0.4
343.08185	0.6
343.11804	0.7
358.10568	21.3
359.10999	0.8
373.12906	100.0
374.13278	4.4
430.70789	0.3
473.17053	0.3
475.21887	0.4
535.17804	4.5
535.25073	0.7
535.31573	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.182
Annotation	CHEBI:68132
Peak:m/z	Relative Intensity
57.03430	0.6
59.01372	5.1
69.03458	0.7
71.01380	3.9
72.99313	0.8
73.02961	0.5
81.03452	0.5
85.02960	1.5
87.00842	0.9
88.98814	1.1
89.02435	3.4
93.03456	1.0
99.00862	0.5
101.02445	2.4
105.03483	0.4
107.05048	0.5
108.02163	0.7
109.02956	2.0
111.00873	0.7
113.02447	1.1
119.03528	0.7
119.04958	0.3
121.02958	0.5
123.04500	1.1
124.01704	0.7
124.75534	0.3
125.02441	1.6
133.02957	3.0
134.03697	1.1
135.04547	3.4
136.01662	37.4
137.02457	9.4
138.03235	6.5
140.01093	0.7
145.02957	0.7
149.02443	0.6
149.04608	0.4
149.06085	1.0
150.03215	1.2
151.04004	45.9
152.01132	6.6
152.04355	0.7
153.01918	2.5
153.05524	0.7
159.04492	0.8
160.05264	1.4
161.02435	6.0
162.03120	1.1
163.04030	0.9
165.05553	0.8
166.02734	0.9
166.05084	1.1
167.03503	6.4
167.04964	0.5
167.05472	0.3
173.04530	2.4
175.04018	1.2
175.07622	1.0
176.04698	0.5
177.01976	3.7
177.05569	1.3
178.02710	1.4
179.03503	5.0
180.04114	0.6
181.05023	1.0
187.03943	0.8
188.04790	0.6
189.05519	0.5
191.03651	0.7
191.05603	1.8
191.07120	0.4
193.04967	0.9
195.02969	1.0
206.05806	1.2
207.06606	1.1
219.06529	0.4
221.04562	1.0
221.08223	1.0
274.69598	0.4
297.07809	0.5
312.09933	0.6
313.90961	0.4
324.07932	0.5
325.08231	0.8
340.09494	0.5
343.11819	0.9
358.10556	22.9
359.10818	1.1
373.12897	100.0
374.13199	4.6
491.15552	1.1
497.19986	0.8
535.03223	1.0
535.18109	5.7
535.24695	0.7
535.31250	0.8
541.89075	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
55.43855	0.8
55.57687	0.9
57.03435	1.3
59.01077	1.4
59.01377	20.3
67.01884	1.7
68.99814	2.2
69.03457	2.9
69.35036	4.9
71.01376	16.6
71.13543	1.1
73.02937	3.5
74.02492	1.0
75.61189	0.9
83.01387	1.3
85.02950	12.9
86.04391	0.9
87.00863	1.9
89.02439	18.5
93.03447	2.9
94.27201	0.9
95.01373	3.6
95.01920	0.9
95.05023	3.3
98.21860	1.8
99.00906	2.0
101.02444	13.7
108.02181	13.4
109.02961	12.4
111.00879	3.5
113.02455	7.7
118.37621	1.0
119.03506	2.1
120.02234	0.9
121.02948	11.2
122.03788	1.1
123.00803	1.0
123.04533	15.1
123.05414	1.7
127.04008	2.7
128.03598	1.6
131.03517	3.7
133.02939	3.2
134.03696	1.0
135.04510	5.1
136.01657	52.9
137.02454	1.9
139.00435	1.6
140.80305	0.9
143.04594	1.4
145.02971	1.9
146.03719	2.5
147.04504	9.8
148.01689	2.5
148.05208	1.1
149.02538	1.0
149.04559	12.3
150.03210	2.8
151.04004	100.0
152.04390	2.1
153.05577	2.7
155.03500	4.0
158.03754	1.7
159.04514	4.4
160.05305	9.5
161.02455	11.1
161.04544	4.1
161.06036	3.7
163.03996	3.1
164.04776	2.5
165.05612	4.9
166.02664	1.1
173.06061	1.7
175.03963	9.2
175.07645	5.3
176.04774	22.8
177.01942	3.9
177.05481	1.6
178.02655	2.8
178.06317	4.5
179.03491	4.1
181.05072	3.1
187.04002	1.2
188.04753	3.3
190.06386	1.7
191.05576	6.3
191.07147	27.6
192.07840	2.2
193.05069	2.0
201.05563	1.1
203.03568	1.5
203.07178	2.5
204.04332	1.0
207.05099	1.4
211.06114	2.5
219.06618	3.2
221.04686	1.3
221.08200	14.8
239.07155	1.8
249.07663	9.9
251.07370	2.0
253.08630	1.6
266.05923	2.4
267.06625	12.3
268.07349	1.9
269.07898	1.1
279.06702	3.1
281.08197	3.2
282.08932	9.6
283.09735	3.8
284.10461	2.2
293.08734	1.5
294.09033	2.7
295.06052	0.9
296.10406	5.1
297.11310	28.8
298.12039	2.4
299.12927	1.3
306.07602	3.4
307.07962	3.7
309.07770	1.7
309.11182	1.2
310.08347	4.9
311.09360	1.6
312.10043	4.3
314.51630	1.0
323.07654	9.7
325.10776	12.8
327.08432	1.9
327.12363	38.1
328.12839	1.5
329.13940	23.0
355.11960	2.7
373.12863	41.8
374.13440	2.8
475.22021	1.3
503.14160	3.1
517.13367	1.1
535.15912	3.7
535.23993	4.4
554.77374	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.2
59.01361	2.2
61.98816	1.3
69.14499	2.2
69.14915	1.3
71.05018	0.5
71.67165	0.5
72.93425	0.5
77.45658	0.5
78.95898	1.2
79.95730	1.0
80.02667	2.2
81.03449	3.2
83.01373	0.8
83.05030	8.9
84.02158	1.8
94.37790	0.5
95.05019	1.8
97.02943	2.2
97.06572	1.7
99.04518	0.7
106.04249	1.0
109.06605	1.0
110.03714	0.6
111.08135	0.8
112.05328	0.8
123.04521	2.2
123.08155	1.5
125.06115	0.9
125.09743	5.0
135.08183	4.5
137.06116	0.7
137.09712	3.0
141.05617	2.8
141.09224	1.0
150.60880	0.6
151.11243	0.9
152.99573	1.5
153.09229	7.3
161.09706	0.8
163.11285	10.6
165.12827	4.1
167.65311	0.5
169.16142	0.5
171.10263	10.4
177.12866	0.8
179.10875	0.8
181.12369	2.2
183.13843	0.7
185.11874	5.2
191.10741	2.3
191.14426	6.4
194.97433	0.5
197.11823	2.1
199.13460	0.6
207.10159	2.9
209.11827	100.0
210.12163	1.7
211.13451	0.7
217.16034	0.7
225.11253	3.2
227.10611	1.1
227.12866	17.8
227.17894	0.7
245.19078	14.4
263.20203	1.0
271.16977	2.0
289.18094	63.5
290.18542	1.3
307.19150	73.2
308.19540	2.1
323.68021	0.6
325.20203	25.9
326.20428	0.8
327.19684	0.6
345.20810	1.0
352.03589	0.5
363.21509	1.0
453.30237	1.0
455.31476	0.7
469.61795	0.7
481.29379	0.7
499.30716	3.1
500.30713	0.6
517.31738	3.9
535.32721	1.7
536.23328	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72800	0.7
59.01388	5.2
59.01639	1.2
60.00438	0.6
61.98825	1.5
68.76612	0.7
70.17937	1.6
70.18251	0.7
71.01377	2.4
79.55355	0.7
80.05051	10.2
85.00438	0.8
85.02941	1.1
88.98772	0.9
89.02444	1.7
92.05026	0.7
93.03459	2.3
94.06619	2.6
98.22009	0.9
101.02422	1.6
104.05090	4.3
106.06599	4.0
107.03783	4.9
108.04565	2.3
108.08176	1.1
113.02442	0.8
118.06623	0.9
120.42516	0.7
121.05336	0.9
122.06122	26.0
124.07697	0.9
130.06613	1.4
132.04510	1.2
133.01434	1.3
134.06120	12.0
135.04533	3.4
136.04883	0.7
136.07681	4.9
146.06114	3.1
147.03207	0.8
148.04060	2.8
150.05609	1.3
151.03964	0.8
152.07178	54.3
158.06110	1.1
160.04054	1.7
160.07680	1.3
161.02394	1.2
165.04079	0.9
170.06076	0.9
173.04715	1.8
174.05630	3.7
179.03421	1.2
180.06636	8.1
186.05620	2.0
188.07178	24.2
190.05127	0.8
191.05605	4.3
192.05968	1.2
210.07965	2.0
211.08751	4.1
223.08711	0.9
223.12383	1.4
224.09544	1.6
225.10335	6.3
226.11124	2.3
227.11870	5.1
236.09360	0.9
237.10324	1.5
238.07491	3.5
239.08145	1.0
239.11890	2.2
245.12956	5.2
249.10397	1.9
250.07376	1.4
251.08217	2.8
251.11868	4.5
252.09050	2.9
253.09805	14.2
263.08234	1.0
264.09207	0.9
265.09848	4.3
266.10535	1.7
267.11377	5.3
277.09885	4.4
279.07773	4.1
279.11353	3.0
279.46423	0.9
280.08386	1.0
283.13162	0.8
285.04092	0.9
292.08582	1.6
293.09222	2.9
294.10239	5.0
295.10867	41.6
296.11285	1.1
307.07648	1.3
307.10910	15.5
313.11905	1.2
321.08777	1.8
323.10428	3.1
333.08746	0.8
339.09787	1.2
343.74887	0.7
352.07507	0.9
371.14899	1.1
390.18198	1.3
392.19724	1.8
418.17856	1.8
432.19376	3.6
436.19165	0.8
447.09283	0.8
460.18793	80.7
461.19205	4.5
463.17303	1.3
476.18222	2.3
486.16962	0.9
497.31613	0.7
504.17780	100.0
505.17993	5.6
535.31519	0.9
536.20392	17.0
536.31140	2.1
537.20892	1.1
537.33124	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	536.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36388	0.3
52.96162	0.4
53.86468	0.4
61.98828	2.7
68.17451	0.4
69.13854	1.0
69.14255	1.6
73.13863	0.4
74.70732	0.4
78.95902	44.8
80.23656	0.4
95.33911	0.4
96.96951	4.8
98.22679	0.9
150.98007	1.4
152.46599	0.4
152.99585	100.0
153.99934	0.6
171.00664	3.7
254.60611	0.4
295.22903	1.0
449.23068	29.5
450.23291	1.2
536.26379	9.5
547.59448	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0823
Annotation	Amentoflavone
Peak:m/z	Relative Intensity
58.30140	0.4
63.02402	1.5
65.00326	2.1
69.70031	1.1
79.25687	0.3
83.01392	0.4
93.03452	2.3
107.01363	2.3
115.93742	0.4
117.03463	10.6
117.04266	0.8
135.04526	1.0
151.00377	2.7
155.04958	0.5
159.04504	6.0
160.33978	0.5
161.02463	1.2
179.03583	0.3
179.05028	0.9
191.39325	0.4
193.06589	0.6
197.06172	0.5
197.30846	0.3
203.03534	1.5
221.06107	1.2
223.03987	1.6
245.06168	0.5
247.04001	0.6
258.12079	0.4
263.07239	0.6
275.07123	0.4
277.05042	0.7
280.68491	0.4
287.07181	0.7
289.05054	0.5
303.06665	0.7
305.04495	3.7
307.06091	8.1
307.75067	0.4
309.04080	1.6
329.04459	0.8
330.05411	0.6
331.06079	22.7
332.06555	0.7
333.04022	5.0
343.06140	1.4
347.05554	0.8
355.06018	0.7
356.94058	0.5
357.03940	1.5
373.07391	1.0
375.05048	67.2
376.05542	1.8
399.05042	12.6
401.02997	4.0
409.94934	0.5
417.06104	17.3
418.06555	0.9
443.04025	5.1
451.08441	0.6
537.08215	100.0
538.08429	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	537.083
Annotation	Amentoflavone
Peak:m/z	Relative Intensity
65.00362	0.3
69.14445	0.7
69.14851	0.8
87.20274	0.2
93.03461	5.8
93.04004	0.3
93.29627	0.2
98.21745	0.5
102.41632	0.3
105.25081	0.2
117.03467	23.3
118.03804	0.3
119.05054	0.4
131.63272	0.2
133.02989	0.3
135.04547	0.9
141.03447	0.3
146.18828	0.2
158.03758	0.4
159.04512	4.8
159.05722	0.4
161.02423	1.5
169.02988	0.7
173.02411	0.3
183.04515	1.2
185.02431	3.1
187.00407	1.0
187.04041	0.6
189.01938	0.2
193.52339	0.2
197.02496	0.3
200.01100	0.3
201.01984	1.8
203.03566	1.3
209.02516	0.8
211.03986	2.2
213.01955	4.8
215.03580	0.3
223.04102	0.5
225.01965	0.8
227.03464	2.1
229.01410	1.6
237.02028	0.6
247.07629	0.3
251.03658	0.3
253.01520	0.5
254.02209	0.4
255.02974	6.5
256.00177	0.3
257.00916	13.6
258.01199	0.4
259.07703	0.6
261.05524	0.5
263.07227	0.4
269.04483	0.7
275.07138	0.5
277.05051	0.6
279.03024	0.7
279.06403	0.2
281.00980	1.6
282.01599	0.4
287.06870	0.3
289.05042	0.3
297.04050	0.5
299.02081	1.4
301.05051	0.5
303.06467	1.2
305.04535	4.0
306.05103	0.3
307.06134	2.9
309.03842	0.4
317.04633	0.9
318.05072	0.3
319.06097	0.9
329.04468	0.7
330.05289	0.9
331.06104	11.0
332.06516	0.5
333.04022	3.8
340.88898	0.3
343.06198	0.6
345.04108	0.8
347.05661	2.1
355.06021	0.3
357.04153	0.5
358.04694	0.4
371.05621	0.5
373.07184	0.8
374.04337	0.8
375.05081	60.8
376.05502	2.0
399.05078	8.9
400.05569	0.5
401.03021	4.3
417.06165	13.6
418.06485	0.4
443.04031	4.7
443.09747	0.4
444.04453	0.3
451.08548	0.4
518.62897	0.3
537.08252	100.0
538.08527	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	537.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.4
57.03445	1.2
59.01380	27.9
60.99305	17.2
61.98826	1.9
69.03455	3.7
71.01378	14.6
72.99302	5.9
73.02935	4.9
75.00856	1.4
83.01381	2.2
84.14970	1.0
85.02959	8.4
87.00900	1.9
88.98808	96.0
89.02442	22.6
93.03485	2.9
95.01379	2.4
95.05022	1.6
98.22717	1.5
99.00882	3.8
101.02453	13.9
106.71110	1.2
107.66261	1.0
109.02956	2.7
113.02441	10.6
119.03513	3.2
125.02440	1.7
131.03511	2.6
132.02144	1.3
133.02962	16.3
134.03775	4.7
135.04527	34.9
137.02428	3.0
143.03505	1.3
149.02393	1.1
149.04558	14.8
149.06071	4.5
151.00374	2.1
151.07654	4.2
155.03566	1.6
159.04536	1.7
160.05264	3.4
161.02451	52.3
161.04553	2.6
162.03008	1.0
163.83267	0.9
171.02986	1.3
173.04488	2.1
175.04091	1.7
177.05528	6.7
179.03499	33.2
180.03870	1.1
189.01686	2.0
189.04033	1.9
191.05591	6.9
195.06660	8.3
199.04024	1.3
199.07623	1.7
201.01727	6.8
203.03368	1.4
221.04530	9.3
221.06541	2.1
236.47429	1.0
241.05106	1.2
243.12361	1.0
249.06097	1.1
251.05603	7.2
251.07809	2.6
267.07214	2.0
271.31961	1.1
281.06644	11.4
284.03268	42.3
285.04041	87.7
286.04419	1.5
293.08829	2.2
294.30753	1.2
311.09796	3.3
327.05054	1.8
341.08655	10.1
347.17075	2.4
357.12411	1.3
359.68680	1.1
375.07062	13.0
375.12244	7.6
447.09308	100.0
448.09509	3.8
477.19617	2.5
493.17090	2.7
537.15894	15.5
537.21667	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	537.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81091	0.9
59.01373	3.4
60.89809	0.8
60.99307	13.3
61.66571	0.8
69.03427	0.9
69.22514	1.8
69.22905	1.8
71.53127	0.8
77.22140	0.8
85.02952	0.8
88.98805	93.8
89.02447	2.3
96.60163	0.7
101.02474	1.0
113.02472	1.6
133.02931	3.5
134.80836	0.7
135.04514	1.9
147.04546	0.9
149.02435	1.3
149.04549	1.4
151.00362	2.2
161.02475	8.0
179.03453	1.6
254.87259	0.7
256.03879	1.2
284.03275	32.5
285.04050	82.9
286.04395	2.9
375.12933	1.1
447.09314	100.0
448.09509	3.5
537.15472	5.2
555.22375	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01078	0.4
59.01375	7.2
63.15121	0.4
69.03468	0.4
71.01377	4.2
73.02948	0.7
84.17937	0.3
85.02954	1.3
87.00871	0.8
89.02453	5.2
95.01390	0.6
97.76639	0.4
98.21841	0.7
99.00861	0.4
101.02430	2.8
105.03468	0.7
107.05096	0.6
108.02149	0.6
109.02958	0.8
113.02457	1.2
115.28228	0.4
117.03456	2.3
119.03497	1.5
121.02988	0.5
122.03779	0.6
123.04556	1.0
132.02155	1.3
133.02959	31.5
134.03752	3.2
135.04524	18.6
137.02487	0.7
143.03503	0.4
145.02956	5.5
146.03735	0.8
147.04497	1.7
149.02417	0.7
149.04405	0.4
149.06093	2.5
149.52704	0.4
150.03210	1.4
151.04082	0.6
160.01637	0.6
161.02444	100.0
162.03221	6.4
163.04030	4.3
165.05589	1.4
175.04050	1.9
177.05569	5.6
179.03496	21.0
180.04250	1.6
191.07112	0.8
193.05063	1.0
195.06581	2.8
203.03369	0.6
221.04543	7.4
221.06493	0.7
235.06128	1.3
251.05583	5.9
265.07147	0.6
281.06647	9.3
295.08261	1.4
323.07956	0.5
324.09952	0.5
339.12274	3.0
341.08826	4.4
343.10315	1.1
357.12271	0.5
375.14594	0.5
454.98111	0.4
477.19730	1.3
519.15057	42.9
520.15381	2.8
537.16113	26.5
537.23602	0.8
538.16443	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	537.1615
Annotation	Grandifloroside
Peak:m/z	Relative Intensity
55.01894	0.9
56.06358	0.7
59.01381	25.2
68.99818	18.3
69.00160	1.1
69.03461	6.2
70.52606	0.8
70.52950	0.9
71.01385	12.7
73.02956	1.4
83.01363	4.0
85.02956	4.0
87.00915	1.5
87.12092	0.7
88.98823	4.2
89.02446	9.2
93.03468	0.8
99.00874	0.8
101.02448	38.5
105.01929	0.7
106.01678	0.8
106.27564	0.7
107.05061	3.1
109.02950	6.4
111.00881	12.3
113.02471	4.3
115.05537	2.6
117.03475	1.4
119.03519	3.5
119.05024	1.1
121.03011	1.1
123.04536	0.7
130.04242	1.1
131.05017	6.5
132.02193	1.0
133.01448	1.5
133.02966	17.6
134.03760	10.8
135.04532	100.0
135.98343	0.8
136.04890	1.3
137.02425	0.9
143.03505	3.4
145.02917	1.0
147.04514	1.7
148.05296	0.9
149.06113	1.6
153.05495	0.8
158.03728	2.7
159.04520	20.8
161.02449	60.9
162.02794	1.3
163.03969	1.4
165.04047	4.0
172.05331	0.8
173.04532	0.9
175.03995	10.6
177.05583	2.0
179.03502	88.0
180.03908	1.6
181.05139	1.6
191.05655	0.9
193.05197	0.9
195.06612	2.5
201.05501	1.2
202.64967	0.7
203.03511	54.8
204.03906	0.8
213.07661	5.2
221.04504	1.7
227.03358	0.7
229.05121	1.1
251.05626	1.9
273.03937	2.1
273.07596	4.9
281.06494	4.0
283.13336	1.9
284.03210	1.4
285.03955	3.2
299.48560	0.8
305.06592	1.4
341.08734	2.1
343.08124	2.6
345.17068	1.2
357.09552	1.9
357.15454	1.1
371.14795	2.9
375.10703	11.2
375.16382	19.9
447.09015	2.9
463.35098	0.7
493.20847	5.2
502.30783	0.8
519.18915	4.4
537.15784	91.2
537.32703	10.5
538.15784	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	537.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.7
59.01376	31.6
60.99303	16.9
61.98814	4.8
69.03455	4.4
71.01379	19.0
72.99299	5.3
73.02939	4.7
79.42069	1.4
80.90774	1.4
83.01373	1.6
85.02945	8.2
87.00880	3.6
88.98801	86.5
89.02441	18.2
93.03414	2.4
95.01390	1.5
96.95977	2.6
99.00896	2.3
101.02451	14.2
107.08652	1.4
109.02949	3.9
111.00858	1.5
113.02444	11.8
116.50585	1.4
119.03484	3.8
121.03010	1.5
125.02458	1.6
127.04070	1.4
131.03487	1.8
133.02953	28.0
134.03763	7.2
135.04518	61.2
137.02449	1.9
139.11292	2.2
143.62367	1.3
149.04558	12.1
149.05989	8.4
151.00311	2.7
151.07651	10.2
151.48145	1.2
152.01115	1.4
155.03520	1.9
157.96429	1.4
160.05278	1.9
161.02434	100.0
161.04532	3.0
162.02742	2.8
173.04573	3.2
175.04056	2.4
177.05551	14.2
179.03482	68.8
180.03847	1.7
189.01695	2.6
191.05592	4.3
195.06587	20.9
195.58795	1.2
201.01669	8.9
221.04572	21.5
221.06529	2.4
243.12302	2.6
251.05600	19.0
251.07877	2.7
267.07108	2.4
281.06650	31.4
284.03253	34.9
285.04019	76.7
286.04404	4.0
323.07574	2.1
331.11594	1.5
341.08752	28.4
342.08826	2.0
347.16867	2.0
375.06903	16.5
375.12848	14.0
431.03882	1.5
447.09280	86.4
448.09567	5.6
477.19672	1.3
493.17035	5.8
501.23056	1.9
537.14966	33.8
537.22241	9.3
538.16565	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	537.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47937	0.6
59.01383	1.4
67.49799	0.5
69.62489	2.1
71.01373	2.4
85.02965	0.6
87.11028	0.5
89.02444	1.4
101.02425	1.6
105.03478	0.8
113.02450	0.8
117.03492	1.0
119.96387	0.5
121.02943	1.1
122.03728	2.6
132.02164	1.3
133.02954	33.7
134.03758	2.9
135.04523	27.4
136.69260	0.6
137.02417	1.1
149.06075	1.5
150.03217	22.8
151.04007	1.4
161.02441	100.0
162.02798	1.6
165.05565	24.8
175.03992	2.2
177.05579	4.4
179.03499	18.9
191.05568	0.8
191.07085	1.0
193.67021	0.6
203.03526	1.6
220.03865	0.9
221.04558	4.3
241.10638	0.7
263.05688	0.8
280.05746	1.0
297.11533	0.7
323.07693	35.3
324.07980	0.7
327.12390	2.6
357.13278	0.7
375.14514	0.8
377.85437	0.6
477.20422	0.7
537.16107	83.4
538.16656	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	537.1614
Annotation	Alboside IV
Peak:m/z	Relative Intensity
50.32257	0.2
57.22759	0.2
58.00580	0.2
59.01378	9.9
59.52933	0.2
65.80761	0.2
67.01882	0.2
69.03455	11.5
69.14242	1.0
71.01382	4.4
72.99330	0.2
73.02925	0.3
78.86174	0.2
81.03454	1.0
83.01373	0.3
85.02960	0.9
87.81059	0.2
88.98805	0.3
89.02443	4.3
89.03975	0.3
91.05534	0.5
93.03461	0.3
95.01378	0.3
95.05032	1.5
99.04514	0.8
101.02448	2.5
105.03464	0.7
106.04266	0.3
107.05042	1.6
113.02454	1.7
117.03494	0.5
117.97311	0.4
119.03503	1.6
121.02979	0.2
121.06596	2.2
125.02444	0.5
125.06054	0.6
129.88962	0.2
131.03529	0.2
132.02153	1.3
133.02956	24.2
134.03749	4.4
135.04524	56.5
136.04839	1.1
139.07692	0.3
143.03514	0.6
149.02504	0.3
151.07642	3.1
161.02441	100.0
162.02782	1.8
168.00671	0.2
169.08691	0.7
173.04564	0.3
179.03494	43.2
180.03877	0.9
194.85028	0.2
195.06609	1.6
251.05559	0.2
261.07718	1.0
285.04089	0.2
290.00208	0.2
313.11020	0.3
326.68073	0.2
331.11844	3.4
334.60950	0.2
375.12943	15.9
376.13443	0.7
447.09286	0.2
493.17389	0.5
537.16199	14.5
538.16333	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
56.44083	0.5
57.03434	0.6
58.00559	0.5
59.01381	39.1
60.47617	0.4
69.03464	9.0
71.01383	34.3
72.99295	1.0
73.02945	7.0
75.00871	1.4
78.08395	0.4
79.01889	3.2
81.03450	3.1
83.01397	2.7
85.02955	3.5
87.00867	0.9
89.02447	43.5
93.03458	4.2
95.01392	1.6
97.02954	9.1
98.22620	1.5
99.00879	8.1
99.04527	1.1
101.02457	7.5
107.01397	4.9
108.02180	23.0
109.02959	20.2
111.00894	1.3
113.02452	3.6
115.04005	4.3
119.03481	0.9
121.02969	1.4
123.00906	0.7
123.04489	0.6
125.02450	23.1
127.04022	1.2
131.03493	5.2
135.00887	9.0
137.02452	10.7
143.03513	1.7
149.04576	5.8
151.00385	0.6
151.04019	0.5
152.01161	40.8
153.01949	20.8
153.02879	0.3
154.02299	0.6
161.02495	0.6
163.03960	0.6
165.01965	0.9
183.21399	0.5
191.05591	4.5
197.06096	1.2
199.07617	1.1
225.03932	0.5
233.06650	15.6
234.52707	0.5
243.06590	6.5
253.63368	0.5
276.84961	0.4
283.24008	0.4
293.08771	13.7
297.06445	0.6
302.26898	0.5
315.07248	1.5
361.71603	0.5
371.06125	0.6
411.09442	1.4
429.10361	100.0
430.10730	4.5
488.50742	0.5
537.16913	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	537.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	14.4
65.03965	0.3
69.03441	1.1
71.00224	0.3
71.01377	11.1
73.02947	1.8
75.00883	0.7
81.03454	0.6
83.01396	0.9
85.02947	1.3
87.00916	0.4
88.98792	0.8
89.02441	17.4
91.01876	1.6
93.03455	27.1
94.03743	0.4
95.01391	0.4
97.02962	2.1
99.00900	2.7
101.02436	3.1
106.04241	1.3
108.02165	2.4
109.02940	0.5
113.02429	1.3
115.04014	1.4
119.03495	0.3
121.02973	0.8
125.02438	8.9
125.03307	0.6
131.03513	1.9
135.00880	1.8
137.02440	100.0
138.02782	1.5
143.03535	0.4
149.04546	2.3
152.01105	1.8
181.17461	0.3
191.05589	2.0
199.07640	7.2
233.06627	7.2
243.06604	20.7
244.06953	0.7
285.04013	0.4
293.08786	8.4
428.34894	0.4
530.27515	0.3
537.15613	3.4
537.32770	0.4
556.93372	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
62.91859	0.1
63.02459	0.1
65.00327	0.5
69.03451	0.2
69.26577	0.7
71.01367	0.3
75.00874	0.8
80.02682	0.4
81.03455	0.2
84.75816	0.1
86.79115	0.2
88.98793	0.3
89.02438	0.5
91.01893	12.4
92.02213	0.2
93.03441	0.4
95.01375	0.3
98.22677	0.3
99.00866	0.2
101.02457	0.3
106.32970	0.2
107.01384	0.3
107.05047	0.5
108.02175	19.0
109.02970	3.9
121.02940	0.5
123.00887	2.9
124.01674	0.4
125.02422	0.4
135.00887	13.0
137.02452	3.8
151.00322	0.2
152.01154	16.0
153.01938	0.9
161.02435	0.3
165.88866	0.2
169.06512	0.4
175.23569	0.1
191.05563	0.2
197.06084	1.4
199.07574	0.5
204.11272	0.1
213.05544	1.2
214.66333	0.1
215.07137	0.9
225.05565	0.3
233.06599	0.3
241.05022	0.2
243.06606	100.0
244.06940	3.5
293.08734	0.4
429.10355	1.9
537.16113	8.9
538.16119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67968	0.5
55.01878	1.3
56.46667	0.6
57.03443	1.1
58.00586	1.4
59.01380	84.1
59.59069	0.6
60.01706	0.8
60.99303	2.0
61.98831	1.2
66.46429	0.6
68.99825	0.7
69.03458	26.0
71.01382	75.4
71.46310	0.8
72.58070	0.5
72.99319	1.7
73.02950	6.7
75.00879	2.2
75.01877	0.5
79.01897	10.0
81.03446	4.5
82.95415	0.7
83.01390	4.1
85.02947	11.1
86.00046	0.6
87.00891	3.7
88.98808	13.3
89.02445	100.0
90.02805	0.9
93.03454	1.3
95.01394	2.5
97.02944	20.5
99.00896	1.8
101.02444	18.2
107.01388	22.8
108.02179	55.1
109.02960	31.8
111.00867	4.0
113.02444	10.8
115.03998	1.1
119.03500	4.5
121.02935	2.7
123.00887	1.9
123.04498	0.6
125.02450	39.6
127.04023	1.1
131.03505	18.9
133.02953	2.0
135.00890	36.1
135.04512	1.8
136.01192	0.7
137.02467	4.8
139.04031	1.9
143.03503	2.1
147.04469	0.8
149.04558	23.7
151.00369	4.5
151.04071	0.8
152.01155	78.9
153.01938	91.3
154.02231	1.0
155.03479	0.7
161.02460	4.7
161.16301	0.6
167.03516	0.7
173.04575	1.2
177.01942	2.2
179.03482	1.3
191.05611	11.1
195.02980	7.5
197.06064	4.8
207.03128	0.8
213.05534	0.8
233.06628	4.4
237.04083	1.1
242.05803	1.5
243.06621	33.1
244.06911	1.1
279.05176	1.3
284.03299	0.7
285.03983	2.1
293.08755	14.1
309.14844	0.9
315.07193	1.8
326.06512	1.5
327.07144	6.7
369.08127	2.2
371.14883	1.6
395.37607	0.7
411.08951	1.1
429.10367	53.5
430.10477	2.5
447.09113	1.6
533.17712	0.7
537.08875	0.6
537.26715	2.3
537.32574	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	537.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.1
57.03437	2.5
59.01375	43.2
61.98833	1.2
64.33646	0.5
67.01895	0.6
69.03450	43.4
71.01375	27.9
72.99304	0.8
73.02940	11.2
81.03450	2.4
83.01377	1.2
85.02951	6.0
85.41153	0.5
87.00881	4.4
89.02440	44.0
93.03448	3.4
95.01383	1.6
95.05018	20.4
97.02946	2.0
97.06599	0.5
99.00877	9.7
99.04517	8.9
101.02438	20.9
105.73448	0.5
107.05019	8.4
109.02962	0.6
109.06595	1.4
111.04515	0.6
113.02441	25.9
115.04025	0.6
119.03487	6.8
122.03743	0.5
125.02476	3.0
125.06037	2.3
125.09723	0.5
131.03499	6.0
131.07115	0.6
133.02957	1.8
133.06581	1.4
135.04503	2.1
137.02435	1.2
139.07637	0.5
143.03499	1.8
149.04546	16.8
149.09712	3.9
150.03050	0.5
151.03964	1.1
151.07635	7.0
153.09216	1.5
161.02435	4.0
161.04512	4.4
167.10777	5.2
169.08688	9.5
173.04483	2.5
175.04192	0.5
179.03563	0.8
179.05592	4.0
191.05612	9.3
195.06555	0.9
213.05598	1.2
213.07655	22.1
221.06651	3.8
233.06631	0.6
249.66144	0.5
251.07716	1.9
263.11880	0.5
263.94220	0.5
293.08765	1.5
297.11475	0.7
323.07513	0.6
327.12189	1.2
339.12268	1.6
363.16620	1.5
375.13361	1.3
405.21194	1.0
471.29605	0.6
475.14688	1.3
512.26233	0.5
537.18207	100.0
537.25647	18.3
538.18573	3.8
538.25458	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1818
Annotation	6'-O-alpha-D-glucopyranosylloganic acid
Peak:m/z	Relative Intensity
55.01859	1.1
57.03437	2.5
59.01375	43.2
61.98833	1.2
64.33646	0.5
67.01895	0.6
69.03450	43.4
71.01375	27.9
72.99304	0.8
73.02940	11.2
81.03450	2.4
83.01377	1.2
85.02951	6.0
85.41153	0.5
87.00881	4.4
89.02440	44.0
93.03448	3.4
95.01383	1.6
95.05018	20.4
97.02946	2.0
97.06599	0.5
99.00877	9.7
99.04517	8.9
101.02438	20.9
105.73448	0.5
107.05019	8.4
109.02962	0.6
109.06595	1.4
111.04515	0.6
113.02441	25.9
115.04025	0.6
119.03487	6.8
122.03743	0.5
125.02476	3.0
125.06037	2.3
125.09723	0.5
131.03499	6.0
131.07115	0.6
133.02957	1.8
133.06581	1.4
135.04503	2.1
137.02435	1.2
139.07637	0.5
143.03499	1.8
149.04546	16.8
149.09712	3.9
150.03050	0.5
151.03964	1.1
151.07635	7.0
153.09216	1.5
161.02435	4.0
161.04512	4.4
167.10777	5.2
169.08688	9.5
173.04483	2.5
175.04192	0.5
179.03563	0.8
179.05592	4.0
191.05612	9.3
195.06555	0.9
213.05598	1.2
213.07655	22.1
221.06651	3.8
233.06631	0.6
249.66144	0.5
251.07716	1.9
263.11880	0.5
263.94220	0.5
293.08765	1.5
297.11475	0.7
323.07513	0.6
327.12189	1.2
339.12268	1.6
363.16620	1.5
375.13361	1.3
405.21194	1.0
471.29605	0.6
475.14688	1.3
512.26233	0.5
537.18207	100.0
537.25647	18.3
538.18573	3.8
538.25458	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
57.03466	1.9
58.20258	1.4
59.01381	100.0
59.22445	1.3
61.98820	1.5
68.78101	1.5
69.46379	3.2
69.46770	3.1
71.01385	53.5
73.02951	5.2
83.01369	2.2
85.02951	10.0
87.00838	1.6
87.60040	1.5
89.02444	72.5
93.03461	3.0
95.01374	3.2
99.00878	7.9
101.02451	28.9
101.89671	1.3
107.29104	1.3
108.02135	3.5
109.02953	16.4
110.10856	1.5
112.06243	1.4
113.02454	18.2
117.63948	1.4
119.03503	26.2
121.02940	2.6
122.03751	1.5
123.04554	1.7
131.03471	4.9
133.02933	4.6
135.04489	4.3
136.01659	21.5
137.02417	4.2
143.03487	2.9
145.02951	1.6
146.03723	3.9
147.04562	3.0
149.04550	14.4
150.03223	3.7
151.04015	27.2
159.04457	1.8
160.05367	3.2
161.02458	8.7
161.04555	5.3
161.06029	3.4
163.03978	2.1
165.05594	2.6
171.04544	2.2
172.05301	4.0
173.04564	3.2
173.06078	2.2
175.03983	6.0
175.07509	1.8
176.04790	6.8
179.03700	1.8
179.05566	9.4
187.04039	5.2
188.04755	2.7
189.05576	4.6
190.06326	4.3
191.05582	7.9
191.07172	6.8
202.06326	5.0
203.07176	2.1
211.23213	1.5
240.77994	1.5
251.07030	4.2
261.05621	2.6
262.06421	2.8
263.07080	4.9
267.06625	9.7
275.07056	2.0
278.06131	1.8
278.09494	3.0
279.06665	12.4
282.08917	7.2
293.08255	5.7
294.08890	10.1
295.09549	2.8
297.07901	3.3
297.11273	13.0
308.10559	1.8
309.07483	4.7
309.11197	4.9
312.09949	15.8
315.12411	3.3
321.45544	1.8
323.09009	5.1
324.09995	16.9
327.12363	85.2
328.12576	3.4
339.12335	91.3
340.12576	4.0
345.13345	8.9
357.13397	16.8
375.14474	12.3
477.19797	8.8
519.18921	3.4
537.19525	23.8
537.25690	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01114	3.1
59.01384	41.8
61.98822	7.7
68.19411	1.6
71.01377	23.5
72.99297	4.3
73.02938	8.4
85.02941	5.6
88.98819	20.1
89.02442	44.8
96.04636	1.8
97.02943	1.8
98.22623	6.9
99.00876	6.8
101.02448	24.7
107.08689	13.2
113.02457	9.7
119.03495	5.3
121.02910	2.0
125.02393	2.6
127.10262	1.6
131.03500	5.7
133.02969	24.5
134.03734	2.7
135.04518	28.6
136.01662	2.1
137.02409	2.5
142.22061	1.8
143.03514	2.5
149.04573	35.8
149.05890	4.1
151.04025	2.4
151.07649	3.3
161.02446	100.0
161.04536	4.4
173.04477	3.8
177.02020	2.8
177.05556	10.2
179.03471	28.7
189.04013	2.2
191.05571	9.3
195.06606	9.0
221.04514	10.8
221.06657	6.7
251.05574	6.4
251.07820	5.4
275.38812	1.9
281.06723	11.5
284.03229	7.5
285.04019	17.0
293.08817	3.7
311.09726	6.0
341.08701	9.6
374.13281	3.0
375.07147	5.8
375.12982	24.0
447.09424	20.3
493.17145	33.7
494.17715	2.5
537.15167	17.6
537.22516	39.2
538.15680	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	537.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59382	1.1
55.01868	1.5
56.25462	1.1
57.03451	3.1
59.01382	44.5
60.99309	1.6
61.98835	1.3
69.03458	18.0
69.19637	4.4
71.01010	1.9
71.01385	27.3
72.99313	2.9
73.02954	8.6
81.03479	1.3
83.01385	2.9
85.02960	10.2
85.06596	1.1
88.98820	9.0
89.02447	38.5
95.01382	1.5
95.05050	1.4
97.02988	1.2
99.00900	8.7
99.04550	1.0
101.02448	25.1
102.45964	1.0
107.05073	1.1
109.02955	1.4
113.02464	10.3
118.88704	1.0
119.03505	4.6
121.06581	1.3
131.03511	6.7
133.02962	27.4
133.03986	1.4
134.03738	4.2
135.04526	22.9
143.03508	3.1
147.04686	1.3
149.04556	33.0
149.05853	2.1
151.07693	2.4
155.10809	1.2
161.02448	100.0
161.04568	3.5
162.02769	1.6
173.04500	3.0
177.01897	2.9
177.05528	6.9
179.03500	24.0
179.07060	1.3
187.13330	1.3
191.05650	8.0
199.07655	1.9
201.01663	3.1
203.03510	1.4
221.04489	7.8
221.06654	4.1
225.11292	1.3
251.05464	2.7
251.07715	3.9
259.19254	1.9
281.06641	6.2
284.03275	4.4
284.91089	1.1
285.04047	9.9
293.08713	2.5
311.09808	4.0
323.07635	3.7
341.08838	3.1
365.25925	1.4
373.25656	1.1
375.07010	3.3
375.11893	1.1
375.27646	10.8
393.11942	6.8
447.09277	11.4
477.19583	7.8
493.17267	7.8
537.16071	51.8
537.21960	24.1
537.32776	66.6
538.16266	2.7
538.33173	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	537.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
57.03428	1.6
59.01381	55.7
69.03448	1.7
71.01382	38.4
72.99273	1.2
73.02950	14.6
75.00851	1.3
81.03414	1.0
83.01373	2.8
85.02959	8.7
87.00934	2.1
89.02448	50.9
89.03010	2.7
95.01370	2.4
96.96008	9.3
97.02979	2.0
99.00891	18.0
101.02454	27.0
111.00857	1.5
113.02461	11.9
117.03427	1.3
119.03490	10.9
121.02982	2.0
122.03747	1.9
123.04518	1.9
125.02416	3.1
131.03535	6.1
133.02963	18.0
134.03650	1.6
135.04543	13.8
136.01631	2.1
143.03455	2.1
145.02960	1.8
149.02469	7.3
149.04561	9.6
149.05763	1.3
149.06174	1.3
150.03236	11.8
151.03975	4.2
155.03465	2.7
161.02455	46.4
161.04552	5.0
162.03215	2.8
163.03984	1.5
164.04814	2.9
165.05583	11.8
175.03987	1.3
177.05547	2.8
179.03531	10.9
179.05565	3.8
179.07036	1.5
180.04297	2.6
183.10245	9.4
191.05652	10.9
191.07219	1.3
195.06631	6.5
204.76500	1.1
221.04475	3.4
228.78580	1.1
229.19711	1.1
233.06653	1.8
251.05414	1.6
281.06741	2.4
293.08786	2.5
312.09991	2.2
323.07651	4.8
327.12354	17.0
339.11890	1.2
341.08817	2.1
345.15619	12.1
375.14420	1.8
380.54254	1.4
405.21255	1.8
477.19794	100.0
478.20029	4.0
519.14990	13.9
537.16504	17.5
537.25592	6.0
538.15546	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	537.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	75.5
59.22910	1.3
61.98834	1.7
63.13635	1.2
68.99809	5.2
69.03449	3.2
69.61642	4.9
70.58936	1.4
71.01381	48.5
72.99308	3.2
73.02953	12.9
83.01424	1.9
84.48126	1.3
85.02944	9.1
87.00888	3.4
89.02443	68.8
93.03457	2.4
95.01427	4.0
97.02956	3.5
99.00883	17.2
101.02444	28.6
106.98190	1.3
107.05042	2.7
109.02949	2.2
110.03597	1.6
111.00890	1.3
113.02438	9.5
115.04041	2.3
117.03458	1.6
119.03491	4.8
123.00888	2.1
123.04555	3.1
125.02456	13.8
131.03487	11.1
132.02197	2.1
133.02957	32.9
134.03748	2.7
135.04514	19.7
137.02438	4.2
138.03189	2.3
139.11317	9.6
143.03471	4.9
146.03732	3.1
147.04497	1.7
149.04556	32.9
149.05853	2.2
150.03163	2.3
151.04037	2.7
161.02443	100.0
161.04619	3.3
162.02888	1.7
163.04080	2.7
164.04749	1.9
165.01930	6.4
173.04524	2.6
173.06010	1.4
175.03949	3.4
177.01950	1.5
177.05562	2.3
179.03490	15.9
179.05699	1.4
179.07147	4.0
180.04289	7.3
181.05162	1.4
181.12315	6.1
183.10252	31.1
191.05598	16.0
191.07100	1.8
193.05005	2.4
195.06641	8.6
199.13466	4.8
221.04555	3.6
221.06641	3.1
225.11299	3.5
229.08620	3.9
233.06650	5.6
235.05954	1.7
242.08244	1.8
243.12350	51.5
251.07724	3.7
281.06558	2.8
289.14786	1.4
293.08804	29.3
311.09940	2.0
323.07724	5.1
337.09171	1.7
341.08536	2.2
345.13492	1.9
405.21426	2.8
419.15512	5.3
477.19901	2.3
519.14966	21.4
537.16064	30.2
537.25122	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36238	0.5
59.01387	3.4
60.99306	15.2
61.25103	0.5
61.98834	0.8
67.45202	0.5
69.21964	2.6
71.01385	3.3
75.00871	2.8
85.02954	1.2
87.00840	1.5
88.98808	100.0
89.02444	28.0
89.03008	1.1
93.03461	11.9
94.70095	0.6
96.05077	0.5
98.22588	1.3
99.00890	0.8
101.02422	0.6
108.02165	1.1
125.02472	0.9
133.02945	1.1
134.03732	0.6
135.03004	0.7
135.04539	1.8
136.05295	0.5
137.02451	33.4
149.04562	0.7
153.66420	0.6
161.02483	1.7
165.04073	0.5
178.02760	0.8
179.03587	1.0
191.05644	1.7
199.07658	0.8
218.91548	0.6
243.06674	4.7
285.03909	1.1
293.08835	1.1
353.41248	0.6
375.19211	0.7
407.12170	0.6
419.18137	0.8
429.10687	0.7
447.09940	0.6
455.60556	0.9
489.20175	0.6
537.17194	0.8
537.33258	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
57.03453	5.1
58.00594	1.0
59.01377	87.5
60.01706	0.7
61.98835	0.5
69.03441	2.3
69.13699	2.5
71.01379	58.9
71.62360	0.4
72.01740	0.7
72.99300	1.1
73.02945	23.1
75.00856	0.5
81.03472	0.8
83.01389	2.2
83.05034	1.1
85.02945	7.7
87.00874	1.1
87.04504	0.9
89.02443	100.0
90.02773	0.6
93.03457	1.1
95.01380	0.5
97.02939	3.3
98.22687	0.8
99.00880	35.4
99.04552	0.6
101.02443	35.4
109.02962	0.9
109.06584	0.5
111.00887	0.4
111.04554	0.4
112.05311	1.6
113.02448	10.0
115.04008	1.8
119.03506	5.3
120.05826	0.6
125.02447	7.5
125.03289	0.6
131.03500	14.8
131.07138	0.8
133.02953	2.4
134.07372	2.3
135.04550	2.1
135.08148	2.3
136.01651	0.9
137.09743	1.4
139.07628	2.2
143.03528	2.0
149.04555	53.4
149.09712	19.9
150.03223	1.9
151.04065	0.7
153.09203	8.5
155.03514	0.5
161.02437	6.9
161.04526	3.6
161.05753	0.6
165.04312	0.4
165.05562	2.2
167.10768	25.1
168.11191	0.5
173.04541	1.7
175.03911	0.5
179.03513	1.5
179.05637	1.4
187.05994	0.4
189.05367	0.4
191.05605	14.2
191.07297	0.9
207.13853	0.8
209.11867	0.8
216.39105	0.5
221.06633	2.7
225.14987	1.8
233.06665	3.8
243.16080	1.4
251.07738	5.7
267.06619	1.7
282.08942	1.7
293.08804	6.6
294.08926	0.7
297.11325	3.6
311.09772	0.9
312.09949	0.5
323.07596	2.1
327.12402	2.5
345.13315	1.6
351.37863	0.4
363.16669	1.1
365.14395	1.2
375.14459	1.6
381.57245	0.4
405.21268	3.9
421.96750	0.4
461.20184	0.5
477.20035	0.6
491.64621	0.4
519.25134	0.5
537.25525	82.9
538.25824	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	537.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
57.03447	6.1
58.00598	1.5
59.01377	84.7
64.72652	0.5
68.52798	0.5
69.03448	1.0
69.32143	1.7
69.32533	1.0
71.01380	54.3
72.99310	1.1
73.02948	20.2
78.00342	0.5
81.03471	0.6
83.01384	2.0
83.05024	1.1
85.02947	7.7
85.44592	0.6
86.00064	0.7
87.00878	3.0
87.04507	0.8
87.28089	0.5
89.02443	100.0
90.02778	0.8
93.03473	2.6
95.01391	1.3
97.02970	2.8
99.00877	25.6
99.01521	1.3
101.02444	37.5
111.00886	1.2
112.05294	1.5
113.02455	8.3
115.04011	1.2
119.03485	4.5
120.05818	0.9
125.02438	6.7
131.03505	19.4
133.02956	3.6
134.07370	1.7
135.04550	3.5
135.08186	2.5
137.09714	0.9
139.07640	2.1
143.03503	2.3
149.04559	66.5
149.09732	20.1
149.93999	0.6
150.03247	2.2
150.10144	0.5
153.09216	9.9
155.03494	1.8
161.02441	10.1
161.04512	3.3
165.05554	3.1
167.10776	28.7
173.04539	5.6
179.03508	2.2
179.05592	1.5
191.05614	18.9
207.13788	0.8
209.11865	0.8
221.06662	2.5
225.15005	2.3
233.06667	3.9
243.15981	2.1
251.07719	4.4
293.08737	6.0
297.11322	1.1
323.07599	4.1
327.12299	1.0
363.16443	1.2
365.14209	1.3
405.21274	3.8
537.16638	10.3
537.25446	78.0
538.25531	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	537.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
56.99802	0.4
57.03443	4.7
58.00587	1.5
59.01376	82.1
60.99327	0.5
61.98826	2.8
69.03459	3.6
69.18922	1.9
71.01379	57.1
71.05014	0.8
72.01735	0.4
72.99302	1.6
73.02943	22.2
75.00857	0.6
78.99514	0.4
81.03444	1.1
83.01389	1.4
83.05017	1.8
84.74039	0.4
85.02944	7.6
87.00885	2.0
87.04506	0.9
88.98808	0.7
89.02440	100.0
90.02821	0.5
91.05592	0.4
93.03468	1.0
95.01377	1.3
95.05038	1.2
96.96005	0.5
97.02946	2.7
99.00875	32.5
99.04518	0.8
101.02440	35.4
102.02772	0.9
107.04996	0.7
109.02950	1.4
111.00868	0.6
112.05322	0.9
113.02447	10.9
115.04019	1.0
119.03505	5.8
121.02976	0.7
123.04568	0.6
125.02438	6.6
125.06065	0.6
127.03906	0.4
131.03497	16.2
133.02937	2.6
134.07397	1.3
135.04527	2.8
136.01646	0.8
137.02492	0.4
137.09714	1.1
139.07622	1.1
143.03474	2.0
149.04547	56.5
149.09709	16.8
150.03223	1.4
151.03993	1.5
153.09241	1.0
161.02440	7.2
161.04561	3.4
161.05937	0.8
165.05595	1.4
167.03569	0.4
167.10767	20.0
169.08664	0.6
171.10255	0.6
173.04495	1.8
175.03998	0.8
176.04797	0.5
179.03500	1.6
179.05600	2.1
180.03891	0.4
189.05637	0.6
191.05606	16.1
202.06432	0.4
203.03625	0.4
207.13899	1.8
209.11781	0.5
213.07614	1.1
221.04617	0.6
221.06615	3.6
225.14990	1.9
233.06680	2.8
233.10263	0.5
243.15988	1.4
251.05272	0.7
251.07698	6.6
267.06708	0.9
275.07703	0.5
279.06021	0.4
282.09125	0.6
285.17136	0.5
293.08804	4.2
294.08981	0.8
297.11319	1.6
310.46564	0.4
311.09689	1.2
312.09964	1.0
323.07571	2.2
324.10007	0.6
327.08713	0.5
327.12338	4.7
339.12454	2.8
341.08902	0.7
345.13593	1.1
357.13382	0.9
363.16608	2.1
365.14648	1.1
375.06799	0.6
375.14545	0.8
405.21164	3.1
461.20267	1.6
475.14407	2.2
477.19812	1.7
519.24573	1.4
537.17743	7.9
537.25525	93.6
538.25708	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	537.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
57.03441	1.9
59.01382	47.5
61.98819	2.0
62.46458	0.8
62.63752	0.9
67.40450	0.8
68.99785	1.0
69.03463	1.7
71.01382	38.1
71.05035	0.9
71.43396	0.9
71.43771	0.9
72.99323	1.0
73.02950	14.5
74.88017	0.7
75.00893	1.2
83.01405	4.7
85.02958	12.8
86.76063	0.8
87.00878	4.7
89.02447	33.6
89.99942	0.8
90.33253	0.8
91.61119	0.8
93.03461	4.2
95.01372	2.0
96.96006	0.8
97.02939	2.9
98.16959	0.8
99.00882	8.9
101.02444	26.0
101.06087	0.8
107.05035	0.9
109.02955	2.9
111.00896	1.8
111.04473	0.9
113.02449	11.7
115.03992	1.7
119.03496	6.8
119.90121	0.9
121.02957	2.2
122.03726	2.6
123.04510	1.6
125.02447	2.5
131.03506	6.1
132.02191	1.1
133.02960	25.0
134.03688	1.9
135.04526	21.8
136.01674	3.7
137.02426	2.3
143.03551	1.5
149.02432	2.3
149.04558	7.6
149.06013	1.2
150.03223	18.7
151.04008	3.3
159.03024	1.0
159.04416	0.9
161.02448	74.5
161.04376	5.0
162.02774	1.8
163.11363	1.4
163.59659	0.8
165.05568	19.8
173.04535	6.3
175.04099	1.2
177.05545	2.8
177.24513	0.8
179.03510	16.6
179.05244	1.5
179.05573	1.4
191.05589	8.8
191.07202	1.0
195.06589	2.9
221.04581	3.3
225.14932	1.7
233.06508	1.1
243.16187	1.2
267.06516	2.5
270.10321	0.8
280.05563	1.1
282.08945	1.5
293.08734	1.0
294.08994	1.4
297.08121	0.9
297.11273	1.8
312.10089	2.4
323.07703	24.3
327.08902	1.2
327.12396	12.2
339.12402	9.3
341.08612	0.9
345.13434	2.5
357.13242	2.4
363.16660	2.3
375.14178	1.8
384.18036	1.0
387.20078	2.4
405.21255	11.2
477.19745	11.7
519.15070	1.7
519.24548	1.4
537.16174	58.3
537.25439	100.0
538.16510	4.0
538.25763	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	537.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97281	1.1
55.01878	2.4
57.03446	2.5
59.01381	39.6
59.83278	0.9
61.98837	2.2
62.63352	0.9
63.96236	2.8
65.12877	1.0
67.01904	1.2
68.99795	1.0
69.03454	3.5
69.09985	7.3
71.01384	36.4
72.99316	1.6
73.02952	12.5
75.00888	2.4
81.03484	1.8
83.01412	4.8
85.02949	16.6
87.00886	3.5
87.04522	1.1
88.98831	5.2
89.02448	25.0
90.98584	1.2
93.03474	2.2
95.01399	1.8
99.00888	10.3
101.02452	31.7
108.02200	2.5
109.02931	1.4
111.00898	1.5
113.02450	12.0
115.04040	2.3
116.92843	1.4
117.03482	2.1
117.97303	14.4
119.03505	3.0
125.02447	4.6
127.04001	2.8
131.03511	3.0
133.02962	4.5
134.03795	1.7
135.04535	5.7
137.02428	3.4
141.09221	1.9
143.03482	2.8
149.04578	5.4
152.01173	2.8
159.00882	1.2
159.03020	3.0
160.01633	1.7
161.02457	12.1
161.04549	10.2
165.04002	2.0
165.12874	2.4
173.04579	2.6
175.03983	3.4
177.01907	1.9
179.03473	3.3
187.04054	1.3
187.07613	1.4
191.05612	9.6
193.04999	1.7
233.06697	2.7
250.61356	1.1
266.34171	1.3
284.03336	3.5
285.04056	7.5
293.08664	2.6
298.03598	5.0
313.76169	1.1
325.10858	1.4
345.19339	14.7
375.05215	2.9
375.16537	3.0
377.21860	3.4
433.97101	1.3
447.09320	5.6
477.23416	100.0
478.23633	3.9
507.19418	1.2
519.18390	2.3
537.08081	4.5
537.21002	5.6
537.33246	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	537.291
Annotation	Platanionoside D
Peak:m/z	Relative Intensity
55.01877	3.4
57.03450	3.0
58.00597	0.5
59.01380	31.2
61.98822	0.7
66.56992	0.2
68.99813	0.3
69.03468	0.8
69.59091	0.5
69.59444	0.4
71.01382	34.1
72.01752	0.2
72.99316	0.8
73.02946	13.5
75.00877	1.0
80.39173	0.2
81.03465	0.2
83.01387	7.9
84.02166	0.3
85.02952	18.5
86.00114	0.9
87.00868	2.2
89.02446	11.4
91.20750	0.2
95.01380	3.4
96.96033	0.5
97.02967	0.8
99.00878	4.4
101.02445	28.6
102.02795	0.2
108.02225	0.3
109.02976	1.0
111.00871	2.3
113.02448	14.5
119.03510	3.1
123.00892	0.2
123.04512	0.2
124.01733	0.2
125.02460	1.1
129.01944	1.2
131.03523	0.7
132.02229	0.2
133.02957	2.9
134.03757	0.3
135.04535	1.6
136.01666	0.7
137.02431	0.3
137.08771	0.2
141.01930	0.3
143.03506	1.6
146.03816	0.2
147.04494	0.2
149.02480	0.3
149.04550	0.6
150.03259	0.4
151.04021	1.3
159.02994	2.8
161.02455	7.5
161.04567	7.9
162.03052	0.3
165.05566	0.3
175.04051	0.3
176.04781	0.4
177.05537	0.5
179.03496	1.4
179.05591	1.5
183.10341	0.4
189.05617	0.2
190.38455	0.2
191.05626	0.6
191.07172	0.5
221.04570	0.4
266.05652	0.2
267.06552	0.3
279.06519	0.3
293.08395	0.3
296.10532	0.2
297.11304	0.5
312.09943	0.6
315.12534	0.3
323.07416	0.2
327.12439	3.2
339.12283	0.3
357.13385	0.3
375.23871	7.1
376.24039	0.4
425.77466	0.2
474.54861	0.2
477.19650	0.2
489.14462	0.3
519.15021	1.9
537.15955	3.3
537.29169	100.0
538.17175	0.4
538.29480	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59859	0.8
59.01371	1.7
61.98827	2.2
68.01247	0.9
69.44878	2.6
74.63300	0.9
76.91018	0.7
78.95904	18.9
88.98818	1.5
105.15661	0.8
152.99599	4.3
157.04735	0.8
162.91229	0.8
168.04346	3.0
207.10233	1.0
224.06927	8.1
242.07892	1.1
248.79030	0.8
255.23291	100.0
256.23691	2.1
419.20642	0.9
480.30963	87.4
481.31613	4.3
537.33478	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	537.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29174	1.7
59.01381	2.6
61.98845	3.7
69.23862	9.1
71.69287	1.6
75.04206	1.7
77.74739	1.8
78.95911	6.9
96.96014	6.2
98.21853	4.0
115.93317	1.7
135.54155	1.7
150.24939	1.9
152.99612	4.9
242.08044	2.4
255.23296	100.0
256.23697	2.6
375.05264	2.1
409.08075	2.1
480.30954	48.0
537.33606	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	537.356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.8
61.98798	0.4
69.09108	1.2
69.09514	1.7
74.93623	0.3
86.18873	0.4
88.98814	0.5
92.92801	0.4
98.21939	0.9
144.88275	0.4
159.04446	0.4
162.06874	1.4
177.09169	2.5
182.07507	0.4
263.57043	0.5
396.31238	0.4
455.35281	100.0
456.35797	7.0
465.97278	0.5
537.35614	56.1
538.35632	2.5
553.86688	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.356
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	0.6
78.24693	0.5
83.22809	0.6
101.08052	0.6
131.75085	0.6
341.03156	0.6
455.35300	100.0
456.35593	6.6
518.07697	0.7
537.35657	63.1
538.35895	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	538.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85184	0.6
55.01880	0.8
57.03438	1.5
58.00578	0.7
59.01378	38.7
60.01714	1.4
61.98829	45.6
69.03454	3.9
70.03764	0.7
71.01382	26.9
72.01713	1.6
72.99314	1.2
73.02950	7.6
74.03281	0.7
79.62576	0.6
83.01379	1.3
85.02946	4.0
87.00875	1.6
89.02444	42.5
90.02778	3.7
93.03455	0.8
95.05045	1.9
97.02946	0.8
99.00880	11.0
99.04513	1.5
100.01221	0.9
101.02438	16.6
102.02782	1.7
109.02954	1.5
111.00854	0.9
113.02455	5.7
114.02817	0.7
117.03442	0.8
119.03476	4.9
125.02474	1.7
131.03532	4.5
132.02127	0.9
132.03828	0.9
133.02957	20.2
134.03755	0.9
135.04520	15.7
143.03545	0.8
149.04550	18.8
149.09698	4.1
150.04890	2.0
150.10004	0.8
151.04002	0.8
151.06100	1.9
161.02441	100.0
162.02783	2.3
164.07190	0.7
167.10794	4.9
168.11105	2.9
173.04608	0.8
177.05547	1.5
179.03503	15.4
191.05594	6.2
192.05983	1.1
207.13936	1.1
213.07774	1.5
214.07957	0.7
221.04578	2.7
221.06638	1.6
233.06792	0.7
244.02910	1.6
251.05537	1.6
251.07889	0.9
252.08080	1.0
281.06543	3.2
293.08749	1.7
294.09070	0.7
309.70984	0.6
328.12561	1.1
341.08740	2.5
364.16891	0.7
365.13986	0.8
378.15179	0.7
405.21436	0.8
475.14545	87.7
476.15155	4.1
478.19614	0.9
503.14343	0.9
537.18414	0.6
537.25604	10.8
538.18298	7.8
538.25836	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.2
59.01390	0.7
61.98819	0.9
63.31088	0.4
65.00324	2.8
69.54743	0.4
82.10643	0.4
83.01383	1.4
93.03462	12.2
95.01391	0.4
98.21790	0.8
107.01385	2.2
117.03468	30.4
118.50451	0.4
125.02453	20.4
127.05518	0.9
130.30257	0.4
135.04530	2.1
147.52330	0.4
151.00377	8.3
151.73163	0.4
155.05002	1.2
157.06561	2.3
159.04521	10.0
161.02429	5.9
177.01897	0.8
179.04991	3.1
180.05794	0.8
181.06595	25.7
182.06850	0.6
183.04480	6.2
191.05594	0.6
193.06592	0.5
201.05603	0.6
203.03462	3.7
205.06598	0.9
207.04501	8.2
222.03098	0.6
223.04015	7.0
223.07512	2.2
225.05573	56.6
226.05954	1.5
247.04027	1.9
249.05571	15.3
251.03494	53.9
252.03848	1.9
265.05042	1.3
267.06619	18.5
268.07034	0.7
269.04507	1.0
275.03513	10.0
277.01511	0.6
287.95181	0.5
291.03018	0.5
293.04565	30.2
294.04935	1.5
301.08643	1.9
319.02435	7.0
319.09708	0.8
320.02887	0.6
333.07693	1.9
377.06595	0.6
387.08725	64.1
388.09164	3.1
413.06650	100.0
414.06921	4.7
447.77811	0.5
495.10895	0.8
539.09814	40.0
540.10309	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	539.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34286	0.5
54.07125	0.6
56.30503	0.6
57.29990	0.6
59.01373	1.1
61.98827	1.3
63.02407	0.8
65.00317	1.5
68.99799	0.6
70.29077	1.4
70.29431	0.8
70.58566	0.6
83.01409	1.0
83.35010	0.7
98.21970	0.9
107.01398	2.2
117.03468	1.2
119.05033	10.3
125.02478	1.1
127.88322	0.7
129.10301	0.7
140.15892	0.6
143.05022	3.9
145.02910	1.8
149.02426	1.9
151.00394	4.7
155.05046	2.2
157.02928	7.1
159.16638	0.6
167.10767	3.0
168.11153	0.9
185.06113	1.1
187.04115	1.1
199.04080	1.0
221.06079	1.2
223.04071	1.4
229.05022	3.0
237.08716	0.6
253.05086	2.3
265.04959	0.8
281.04501	3.5
282.05203	1.0
283.06155	2.1
286.04721	0.8
305.04568	2.0
305.08157	1.1
307.06116	30.8
308.06467	1.1
309.04037	89.5
310.04327	3.0
323.05566	0.8
325.07126	6.7
327.21689	0.7
331.06094	2.6
332.06393	0.7
333.03943	4.8
349.07123	13.0
351.05090	32.3
352.05396	1.3
371.87885	0.7
375.05081	9.6
376.05246	1.4
377.05737	2.0
393.06067	11.3
419.86484	0.7
445.05295	1.0
453.09912	1.5
495.10883	6.4
539.09772	100.0
540.10059	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	539.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13108	0.9
57.03426	1.4
59.01375	38.7
60.01709	1.6
61.98832	2.2
69.03449	3.2
71.01379	27.3
72.99314	1.6
73.02943	9.1
83.01400	1.9
85.02924	5.9
87.00865	2.8
89.02441	32.1
93.03444	1.5
95.05001	1.2
96.96003	1.5
99.00861	8.5
101.02439	19.0
109.02981	2.3
111.00883	1.9
113.02473	7.9
119.03477	3.2
125.02444	2.2
128.56972	1.0
131.03528	5.2
132.02113	1.8
133.02950	24.0
134.03738	2.6
135.04518	39.6
137.02490	1.7
143.03485	1.3
149.02434	1.6
149.04550	18.7
149.06068	4.9
149.09688	1.6
150.03265	2.7
150.04803	1.2
151.03972	2.3
161.02443	100.0
162.02759	2.3
165.05576	3.5
167.10759	2.0
175.03915	1.3
177.05560	12.2
179.03487	63.1
181.05045	2.7
191.05655	5.2
203.03513	1.9
221.04539	20.1
221.06667	1.1
251.05582	14.8
251.07887	1.8
279.05228	1.9
281.06653	27.8
323.07843	7.7
339.11865	1.4
341.04590	2.0
341.08746	38.9
342.09283	1.9
343.10242	2.4
347.17117	1.5
360.52982	1.3
383.09827	5.3
413.10770	15.9
452.03876	1.3
463.18018	2.2
475.18259	1.9
479.21298	15.9
503.14044	78.8
504.14172	3.6
538.26239	5.3
539.18494	7.2
539.26300	5.1
551.87604	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	539.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13108	0.9
57.03426	1.4
59.01375	38.7
60.01709	1.6
61.98832	2.2
69.03449	3.2
71.01379	27.3
72.99314	1.6
73.02943	9.1
83.01400	1.9
85.02924	5.9
87.00865	2.8
89.02441	32.1
93.03444	1.5
95.05001	1.2
96.96003	1.5
99.00861	8.5
101.02439	19.0
109.02981	2.3
111.00883	1.9
113.02473	7.9
119.03477	3.2
125.02444	2.2
128.56972	1.0
131.03528	5.2
132.02113	1.8
133.02950	24.0
134.03738	2.6
135.04518	39.6
137.02490	1.7
143.03485	1.3
149.02434	1.6
149.04550	18.7
149.06068	4.9
149.09688	1.6
150.03265	2.7
150.04803	1.2
151.03972	2.3
161.02443	100.0
162.02759	2.3
165.05576	3.5
167.10759	2.0
175.03915	1.3
177.05560	12.2
179.03487	63.1
181.05045	2.7
191.05655	5.2
203.03513	1.9
221.04539	20.1
221.06667	1.1
251.05582	14.8
251.07887	1.8
279.05228	1.9
281.06653	27.8
323.07843	7.7
339.11865	1.4
341.04590	2.0
341.08746	38.9
342.09283	1.9
343.10242	2.4
347.17117	1.5
360.52982	1.3
383.09827	5.3
413.10770	15.9
452.03876	1.3
463.18018	2.2
475.18259	1.9
479.21298	15.9
503.14044	78.8
504.14172	3.6
538.26239	5.3
539.18494	7.2
539.26300	5.1
551.87604	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	539.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
57.03449	1.0
59.01379	15.4
61.98823	1.3
71.01382	9.6
73.02949	5.4
80.11854	0.8
83.01395	3.4
85.02972	5.6
87.00883	2.2
89.02454	4.0
95.01389	1.4
96.96023	1.4
99.00869	1.3
101.02455	10.2
108.02220	1.0
109.02957	2.9
111.00876	0.8
113.02448	3.7
119.03519	1.0
121.02929	3.8
122.03729	3.7
133.02942	5.8
134.03732	3.1
135.04530	100.0
136.01727	1.1
136.04897	2.5
137.02457	9.3
145.96291	0.8
149.02440	18.6
149.04509	0.7
149.06058	2.2
150.03233	24.2
153.05591	1.2
161.02498	3.9
163.07591	2.0
164.04753	3.0
165.04282	1.5
165.05569	20.3
166.06326	3.5
167.07054	1.6
179.03487	2.7
180.04277	1.5
181.01430	1.0
181.08659	3.3
182.02248	1.5
183.03032	1.4
191.05583	1.5
195.06665	6.2
197.04562	4.6
197.08180	1.4
219.06683	1.2
221.04686	0.9
225.51402	0.9
229.08643	1.0
263.05655	4.4
270.08789	0.9
314.11496	3.0
315.12320	1.5
326.06235	1.1
327.07120	3.5
327.30637	0.8
329.13940	8.2
341.08771	14.8
342.09027	1.5
343.13998	8.2
383.15573	1.1
479.21329	3.6
491.19247	69.7
492.19547	4.3
495.15204	3.5
521.15192	1.9
539.13293	8.6
539.21942	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	539.2268
Annotation	Pulcherrin C
Peak:m/z	Relative Intensity
59.01380	23.1
60.03132	2.0
61.98821	3.0
62.92040	1.8
69.03442	1.7
69.57490	1.9
71.01379	13.8
71.27808	2.0
73.02954	4.2
85.02963	4.6
89.02430	14.9
93.03477	4.4
99.00867	3.2
101.02444	14.1
102.21440	1.8
113.02467	6.4
116.92863	2.3
119.03511	5.7
123.04501	2.4
125.02475	2.8
133.02986	3.1
134.03746	2.6
135.04556	8.8
137.02498	3.2
149.04507	4.0
161.02501	10.7
173.04539	2.7
177.01920	10.2
179.03529	7.7
182.05907	3.5
191.05643	8.7
197.08238	8.5
221.04523	3.4
281.06659	3.8
341.08899	5.0
347.20981	2.7
479.32471	3.7
503.25049	56.6
539.22729	100.0
539.34918	4.4
540.22900	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	539.2262
Annotation	Pulcherrin C
Peak:m/z	Relative Intensity
59.01378	12.0
62.84612	2.2
66.00784	2.2
69.25149	10.3
71.01387	16.4
73.02956	4.9
75.00902	2.4
85.02930	4.8
88.98834	3.2
89.02451	9.7
93.09500	2.6
97.03022	2.8
99.00902	5.3
101.02443	15.9
102.44299	2.3
113.02447	6.5
121.59874	2.6
133.02916	3.7
134.03752	3.2
135.04539	12.3
149.06090	2.9
161.02477	6.5
161.97806	2.4
177.01982	2.4
179.03505	9.4
191.05643	2.5
192.70930	2.4
205.87279	2.3
218.17726	2.2
242.28148	2.4
291.60703	2.4
296.14020	2.3
354.79044	2.4
371.20709	5.4
503.25052	87.0
504.25455	4.0
536.89166	2.8
539.22760	100.0
539.34204	7.5
540.23358	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	539.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	20.6
61.98836	3.8
69.39861	8.1
69.40244	6.3
71.01379	17.6
73.02943	7.9
84.32834	2.9
85.02940	6.4
89.02452	11.4
98.22620	5.3
100.57236	2.6
101.02448	13.6
111.01790	3.0
113.02454	4.0
134.03770	3.5
134.67009	2.7
135.04526	12.0
152.07191	9.2
161.02422	4.9
161.04570	3.3
179.03499	6.1
192.06660	7.3
206.17014	2.8
357.14594	3.7
371.20966	5.4
503.24960	94.9
504.25677	3.7
539.22742	100.0
539.34363	12.7
547.96680	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	539.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.4
57.03431	3.1
59.01378	63.2
61.98818	5.6
66.81119	1.1
69.03454	1.9
71.01380	44.7
72.99309	2.5
73.02943	14.4
75.00870	13.6
75.37537	1.3
83.01375	4.4
85.02942	16.1
87.00879	3.0
89.02446	43.5
93.03442	2.0
95.01334	3.0
96.96033	1.7
97.02949	1.6
98.21884	3.7
99.00878	7.1
101.02444	31.8
109.02901	1.6
111.00884	1.4
113.02456	17.4
115.03965	1.7
119.03479	12.2
122.03722	1.9
123.00895	2.0
123.08174	2.7
125.02408	4.6
131.03497	3.5
132.02144	1.6
133.02957	9.5
134.03706	2.4
135.04518	15.9
135.08089	1.6
137.02455	2.1
143.03462	2.7
145.02879	2.6
149.02423	4.8
149.04517	7.4
149.06058	3.5
150.03230	13.3
153.01982	1.9
161.02454	25.5
161.04501	8.7
162.03096	2.7
164.04706	2.4
165.05559	14.3
167.07024	2.1
173.63113	1.2
177.05579	6.3
179.03510	14.4
179.05571	6.0
179.06943	1.5
185.11798	1.6
191.05627	5.2
195.06627	5.9
197.08218	3.1
221.04506	7.2
233.06563	2.1
251.05605	4.5
251.07980	1.7
281.06696	7.5
293.08746	2.4
314.11536	1.9
329.13876	5.6
341.08691	9.4
347.13443	2.1
347.17130	21.8
377.14862	2.5
479.21326	100.0
480.21646	4.2
491.19293	19.8
497.27786	3.6
521.16376	1.9
539.16711	14.8
540.18188	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	539.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20587	1.2
57.03432	1.3
59.01380	3.2
61.98824	2.6
66.80017	1.3
69.73228	2.5
71.01393	1.5
75.55316	1.3
79.44122	1.6
92.29397	1.6
93.03490	2.0
96.85159	1.4
97.58197	1.3
117.03454	4.9
125.02454	3.1
135.04494	2.8
148.91023	1.2
151.00327	1.6
159.04520	2.9
161.02510	1.5
169.12335	37.9
171.10326	1.5
181.06590	4.8
185.11908	2.6
197.11934	3.4
209.11894	8.3
213.11316	100.0
214.11609	1.8
225.05586	8.9
249.05452	3.0
251.03496	9.3
267.06540	1.9
276.66504	1.5
285.03995	1.9
293.04575	5.2
307.19168	18.3
311.22333	1.8
325.20160	20.0
387.08716	9.0
413.06738	13.9
539.09778	7.6
539.26111	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	539.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.4
63.59105	0.9
71.01372	0.9
85.02955	1.3
89.02474	0.7
101.02473	1.2
167.10774	100.0
168.11157	1.4
191.05612	1.3
211.09792	7.5
211.13403	3.3
229.14462	1.2
229.22032	0.8
263.74515	0.9
327.17935	1.2
327.21771	19.9
373.25003	0.8
377.06055	0.9
408.55908	0.8
539.08337	4.0
561.50806	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.6
61.98814	4.0
67.43683	0.7
69.07151	5.8
71.01377	4.3
73.96735	0.9
74.08251	0.7
85.02966	1.0
89.02453	3.1
92.05051	1.6
94.06629	2.2
95.04993	1.1
101.02456	2.2
104.05080	0.9
107.03764	10.1
110.02471	1.3
112.04047	2.2
113.02449	0.9
116.05074	5.9
120.04578	1.5
121.05411	1.3
122.06120	42.7
123.03274	5.3
123.06428	0.8
124.04055	4.3
124.07655	1.2
132.04570	5.4
133.02921	1.1
134.06139	1.8
135.04541	1.8
138.05608	18.5
140.07158	1.0
149.04639	1.9
152.07169	100.0
153.07509	1.3
158.02472	3.7
160.04051	26.9
161.02461	2.3
162.02728	0.9
164.07208	4.7
166.05078	0.9
172.04105	1.5
180.03899	0.7
182.04602	1.5
184.06140	2.7
190.05080	14.7
191.05623	3.5
192.06660	74.4
193.06937	1.3
204.06703	2.0
249.59283	1.0
255.11414	2.2
267.11346	2.0
281.09265	1.7
293.09152	2.0
295.10672	1.4
297.12292	1.5
299.10406	1.1
325.11914	21.8
326.12427	1.0
329.14948	1.2
355.12958	13.2
357.14529	67.8
358.14932	1.9
420.19324	2.3
446.17514	1.3
464.18185	13.8
465.16876	2.6
468.17688	2.6
478.20233	1.3
490.16217	3.7
496.20764	2.2
504.25177	2.2
508.17261	27.3
522.18707	4.6
539.34149	2.0
540.19824	21.4
540.33582	1.2
541.20990	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	540.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.6
61.98814	4.0
67.43683	0.7
69.07151	5.8
71.01377	4.3
73.96735	0.9
74.08251	0.7
85.02966	1.0
89.02453	3.1
92.05051	1.6
94.06629	2.2
95.04993	1.1
101.02456	2.2
104.05080	0.9
107.03764	10.1
110.02471	1.3
112.04047	2.2
113.02449	0.9
116.05074	5.9
120.04578	1.5
121.05411	1.3
122.06120	42.7
123.03274	5.3
123.06428	0.8
124.04055	4.3
124.07655	1.2
132.04570	5.4
133.02921	1.1
134.06139	1.8
135.04541	1.8
138.05608	18.5
140.07158	1.0
149.04639	1.9
152.07169	100.0
153.07509	1.3
158.02472	3.7
160.04051	26.9
161.02461	2.3
162.02728	0.9
164.07208	4.7
166.05078	0.9
172.04105	1.5
180.03899	0.7
182.04602	1.5
184.06140	2.7
190.05080	14.7
191.05623	3.5
192.06660	74.4
193.06937	1.3
204.06703	2.0
249.59283	1.0
255.11414	2.2
267.11346	2.0
281.09265	1.7
293.09152	2.0
295.10672	1.4
297.12292	1.5
299.10406	1.1
325.11914	21.8
326.12427	1.0
329.14948	1.2
355.12958	13.2
357.14529	67.8
358.14932	1.9
420.19324	2.3
446.17514	1.3
464.18185	13.8
465.16876	2.6
468.17688	2.6
478.20233	1.3
490.16217	3.7
496.20764	2.2
504.25177	2.2
508.17261	27.3
522.18707	4.6
539.34149	2.0
540.19824	21.4
540.33582	1.2
541.20990	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	540.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53300	2.7
56.57880	2.8
59.01379	36.0
61.98832	28.4
63.15491	2.6
66.58120	3.0
70.18005	6.8
71.01384	42.1
73.02943	15.9
75.00877	19.0
83.01410	4.7
85.02960	12.8
85.56316	3.1
87.00901	14.6
89.02448	22.3
93.67769	3.1
99.00874	4.3
101.02435	23.8
113.02480	14.6
124.07697	6.8
129.01866	3.3
130.95090	2.5
133.02943	3.8
135.04462	7.0
143.03455	3.0
149.02315	3.2
159.02855	3.7
161.02489	17.1
161.04567	17.5
162.02855	3.9
165.05641	4.4
176.10776	3.4
177.01854	4.2
179.03546	6.7
179.05554	3.1
188.06606	3.0
191.05562	7.9
204.10307	9.5
221.04466	3.2
248.09264	5.1
282.06964	4.1
333.20737	4.1
335.22375	14.6
347.17212	3.6
347.63324	3.4
348.17493	5.3
379.15881	3.7
407.24402	8.2
431.04889	3.1
480.21887	25.4
481.22699	4.9
492.19730	7.2
497.20325	4.9
497.27591	100.0
498.27789	5.1
540.17188	4.9
541.19482	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	540.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23417	0.8
53.03119	0.7
57.65966	0.7
61.98829	100.0
71.14541	0.6
78.95893	1.3
119.08517	0.7
145.34331	0.8
148.24846	0.8
152.99551	1.6
189.85687	0.7
214.48602	0.8
234.22690	0.7
255.23268	4.0
325.06754	0.9
455.35312	24.3
456.35751	4.1
457.35770	1.2
458.36404	1.5
483.27435	2.7
540.33014	73.2
541.33209	2.6
549.27405	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
64.95735	0.4
69.72971	1.5
98.21965	0.8
98.22612	0.9
193.83347	0.4
266.88214	0.4
277.82245	0.4
334.71426	0.4
365.38565	0.5
455.35358	10.1
456.35455	1.4
457.35986	0.6
540.33044	62.9
541.33374	2.9
561.58600	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1144
Annotation	Neochamaejasmin B
Peak:m/z	Relative Intensity
57.03462	1.7
57.20721	1.0
59.01362	2.3
61.98825	3.5
64.97690	1.3
65.00327	8.1
69.31804	5.1
78.50190	1.4
83.01378	4.6
93.03461	2.2
101.02467	1.4
107.01379	6.5
117.03462	4.5
119.05025	26.0
123.49860	1.2
125.02454	13.8
133.02971	2.5
133.06581	1.3
135.04561	1.3
143.05025	15.8
145.02946	7.8
151.00371	27.1
157.02928	3.1
157.06589	25.3
159.04518	100.0
160.04860	2.4
160.62700	1.1
161.06114	3.6
175.07639	5.4
177.01967	1.8
181.06670	2.0
183.04520	14.1
185.02469	16.4
185.06087	7.2
187.03998	7.1
199.03992	2.4
199.07645	16.4
201.05573	78.6
202.05998	2.7
203.07072	1.7
209.02454	1.6
223.07626	1.4
225.05586	13.8
227.03526	10.0
229.05055	10.3
243.06627	26.1
251.03542	2.6
265.08734	1.3
267.06610	4.3
269.04556	4.9
293.04422	2.3
295.05988	1.4
303.10162	2.3
307.09897	1.5
309.07730	2.3
311.02295	2.2
311.05637	25.6
314.99188	1.1
327.10437	1.2
335.05515	2.1
340.20282	1.5
345.11206	3.8
351.08713	5.5
353.06622	5.1
371.09247	1.7
389.10287	82.1
390.10602	3.6
395.07687	16.3
415.08176	54.7
416.08752	2.2
440.84390	1.1
497.12262	2.6
500.94562	1.3
541.11426	97.3
542.11749	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	541.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	11.3
63.19203	0.3
68.99820	0.7
69.03458	1.3
69.18409	1.8
71.01379	4.6
78.72178	0.3
83.01385	0.5
85.02948	1.0
89.02440	4.1
94.02985	18.7
94.71542	0.3
95.01395	0.5
101.02451	2.2
107.05036	0.4
113.02441	1.5
116.05063	1.3
119.03516	1.2
119.05063	0.3
121.06595	1.0
122.02484	100.0
123.02819	0.9
142.06657	1.5
147.04510	0.3
166.06633	0.7
167.06113	2.5
169.07718	8.3
174.05663	0.4
179.07329	0.3
181.07785	0.6
183.09286	0.6
193.25607	0.3
194.09680	1.0
195.05600	0.4
195.09271	0.8
209.07234	1.0
219.07045	0.4
219.09158	0.8
220.07858	0.5
221.07196	0.6
221.10916	0.3
222.07832	0.6
223.06345	0.5
235.08774	1.5
237.06544	0.4
237.10342	3.5
247.08846	0.4
263.08286	0.5
263.15576	0.3
265.09811	38.8
266.10147	1.1
281.09293	1.2
289.13412	0.9
290.11771	0.6
291.07672	0.4
299.11942	2.5
307.14655	0.6
309.08804	31.8
310.09055	0.8
317.12903	4.7
333.12454	0.4
335.13950	1.3
351.13483	4.4
361.11914	22.6
362.12216	0.8
379.12927	3.8
490.78006	0.4
541.18262	25.1
542.18524	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61494	1.2
55.01874	1.5
56.10872	1.2
56.84547	1.3
58.00578	1.4
59.01376	52.7
61.98817	4.8
69.44459	3.7
71.01380	24.3
73.02933	2.8
78.99915	1.2
81.44892	1.2
83.01381	2.4
85.02946	4.8
88.98798	5.6
89.02444	29.3
93.03511	1.4
95.01395	2.6
95.08672	5.0
96.96017	5.0
101.02436	21.3
102.01309	1.3
105.60864	1.3
107.08669	5.0
111.21787	1.3
113.02439	10.7
119.03519	11.0
132.02170	1.4
133.02946	27.9
134.03699	1.4
135.03465	2.2
135.04515	35.6
136.04868	3.5
137.02444	4.0
143.03493	1.6
149.02431	1.2
149.06096	3.9
151.07608	2.2
151.70447	1.1
155.53220	1.2
161.02435	100.0
162.02788	1.2
169.08734	2.9
177.05557	4.9
179.03491	31.6
181.08688	2.3
192.86221	1.1
199.09764	2.7
221.04460	7.4
251.05682	6.2
281.06677	9.9
288.68677	1.2
307.21396	1.3
319.17566	1.5
331.14212	2.2
341.08890	6.5
342.08908	1.8
349.15021	7.9
361.15009	12.3
379.16074	71.5
380.16537	2.4
481.22693	8.3
493.18079	3.0
497.15591	1.9
505.17279	2.4
511.17953	3.7
523.18158	9.6
524.18579	1.4
541.19312	89.6
542.19427	3.9
556.46954	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01078	1.6
59.01376	31.9
61.98830	7.2
68.99783	1.6
69.03455	2.2
69.64352	2.4
69.64700	4.3
70.90919	1.5
71.01382	16.8
73.02958	1.9
84.57041	1.4
85.02941	4.4
87.00869	1.7
88.98792	4.8
89.02444	16.6
93.03442	1.6
95.01305	1.8
95.08667	34.9
96.95997	5.3
97.02909	1.9
101.02441	12.3
107.08662	10.6
109.02937	2.4
113.02444	7.9
119.03500	5.6
132.02208	1.8
133.02937	26.9
134.03746	4.6
135.04520	49.4
137.02425	3.1
148.05255	1.8
149.04712	1.4
149.06068	6.7
161.02437	99.8
161.04535	2.8
162.02806	1.8
162.97314	1.4
165.05469	3.2
169.08696	27.7
173.04504	1.6
177.05553	14.4
179.03494	63.2
180.03938	1.6
181.08704	6.4
187.07600	1.8
191.05551	5.0
199.09764	52.7
221.04572	18.8
251.05547	13.9
252.11920	1.7
281.06717	24.4
341.08661	17.8
342.09085	1.9
343.09293	2.2
361.15076	2.8
379.11130	3.4
379.16071	60.0
380.16266	2.2
411.07333	1.8
472.90469	1.7
495.24850	8.1
497.16553	1.8
511.18170	2.6
523.18152	12.1
541.19220	100.0
542.19427	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	541.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25478	1.3
55.01869	2.5
59.01381	100.0
69.61027	1.5
69.61390	5.9
71.01382	59.2
71.30022	1.4
72.99281	1.4
73.02945	7.1
75.35451	1.4
77.97953	1.8
78.95892	1.7
83.01379	3.6
85.02947	15.1
87.00860	4.4
89.02449	65.9
91.08918	1.5
95.01413	3.4
96.96010	23.3
97.02943	1.5
99.00874	3.9
101.02446	34.4
107.03525	1.4
108.02216	1.9
109.02962	6.5
111.00862	2.1
113.02460	23.7
119.03520	25.4
122.02510	1.9
125.02509	2.1
129.86073	1.7
131.03491	3.7
133.02962	5.2
134.03749	4.6
135.04539	12.0
136.01691	12.3
138.87686	1.7
143.03557	7.0
149.04617	2.6
149.06079	4.9
150.03273	1.9
151.04008	15.9
153.01982	14.1
161.02457	26.9
161.04532	11.0
165.01927	4.1
165.05415	1.9
170.19522	1.5
177.05623	4.4
179.03510	19.4
179.05634	23.8
180.04280	2.9
181.05113	2.6
195.06635	3.0
197.06195	1.6
209.06131	4.1
221.04543	8.1
225.05670	2.5
237.05580	15.1
238.06287	5.5
247.11926	5.1
251.05495	3.2
252.07936	17.4
253.05086	12.9
253.08607	3.3
256.07239	1.7
268.07446	17.6
278.82947	1.6
281.06589	8.0
283.06851	3.1
283.09772	41.5
285.64999	1.6
297.06104	4.5
341.08780	14.5
379.16171	16.7
413.10947	5.3
415.11572	1.6
481.22583	6.8
503.14160	3.2
505.15515	13.7
541.21979	54.8
542.21680	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	541.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	12.8
61.98810	1.4
69.03423	2.3
71.01378	5.3
71.47081	0.7
73.02948	4.0
75.00873	0.8
77.95031	0.8
78.24487	0.7
81.03441	1.5
82.95448	0.7
83.01359	1.9
85.02935	2.6
87.00866	1.2
87.04488	2.6
89.02421	2.4
93.03458	1.4
95.01385	0.9
96.96009	1.9
97.02944	0.9
99.00832	1.3
101.02460	5.0
108.02177	45.4
109.02957	41.6
110.03285	1.0
113.02426	1.6
121.02972	1.6
122.03680	1.6
123.00895	1.4
125.02412	1.0
125.06071	1.0
133.02930	2.7
134.03685	3.0
135.04533	19.7
136.01602	2.2
137.02383	0.9
137.09753	0.9
138.25415	0.7
139.11279	6.2
143.07138	1.5
144.08875	0.7
149.06036	1.9
151.03993	1.7
152.01161	57.8
153.01953	22.6
155.10803	3.7
161.02344	2.6
163.03944	1.7
164.04784	1.0
178.02650	0.9
179.02054	0.9
179.03511	17.2
181.12370	1.6
182.02299	0.9
182.05792	3.1
183.10251	7.3
191.05571	2.1
197.08224	5.3
197.11769	1.0
199.09686	3.5
225.11142	1.7
241.10732	1.5
243.12321	1.0
280.68469	0.7
283.11575	1.7
343.13919	0.9
361.14926	0.9
412.41544	0.8
412.60757	0.9
444.12820	4.4
479.18866	3.0
481.17212	3.6
481.26266	2.5
497.20435	4.4
503.24808	6.1
523.17889	2.5
541.19073	100.0
542.19635	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	541.2135
Annotation	(2E)-N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide
Peak:m/z	Relative Intensity
55.01869	2.2
57.03434	1.5
58.00584	1.4
58.26167	0.6
59.01379	91.2
59.51339	0.7
61.98813	1.8
63.97579	0.8
69.44173	3.6
71.01382	55.5
72.99295	1.9
73.02959	9.3
75.00864	1.1
83.01384	3.5
85.02950	13.9
87.00887	4.2
89.02444	54.5
90.02782	1.2
95.01393	3.3
96.96004	8.1
97.02928	1.7
98.22642	1.6
99.00881	4.8
101.02441	35.1
111.00893	2.3
113.02451	24.2
119.03505	26.1
119.04158	0.5
123.04512	0.9
125.02442	2.5
128.95230	0.8
131.03488	3.8
133.02948	1.2
134.03709	0.9
135.04521	3.4
143.03516	7.5
149.04550	2.4
149.06096	0.9
151.03876	0.7
159.02985	1.6
161.02542	4.7
161.04559	14.8
161.08217	1.1
165.05557	1.9
166.06000	0.9
173.00890	0.9
177.05670	1.2
179.03523	3.4
179.05597	16.6
205.28067	0.9
215.05685	1.6
221.04497	1.1
237.05493	1.5
247.11819	7.6
251.05621	0.9
252.07921	1.5
253.05109	0.9
258.10883	0.8
268.07465	1.7
281.06900	1.1
283.09769	3.9
292.81412	0.8
293.08685	1.5
341.08832	2.6
353.85300	0.7
361.15271	0.9
379.16092	26.5
413.11023	0.9
481.22922	3.4
503.14105	4.7
541.21423	100.0
542.21747	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	541.229
Annotation	Agnucastoside A
Peak:m/z	Relative Intensity
57.03452	4.6
59.01384	9.7
64.26337	0.3
69.03458	16.0
69.17236	1.8
71.01382	4.3
71.05015	2.3
81.03453	3.4
85.02943	1.1
85.06583	0.3
87.00906	0.3
87.38369	0.3
89.01925	0.5
89.02445	5.9
89.31588	0.3
91.78374	0.3
95.05015	1.0
101.02444	3.1
111.08171	3.0
112.44797	0.3
113.02445	1.6
113.06090	2.0
115.05536	0.4
119.03511	2.8
123.08134	1.0
125.02462	8.1
129.77232	0.3
133.06609	4.6
134.03799	0.6
135.04495	0.6
139.11304	23.7
140.11671	0.4
143.03525	0.7
147.67551	0.3
149.04655	0.4
149.05997	0.4
151.07643	2.4
161.02441	0.7
161.04570	0.6
165.09192	0.4
177.05579	3.1
179.03586	0.5
179.05656	1.5
183.10271	100.0
184.10645	2.2
195.06639	2.8
237.07819	0.3
254.99879	0.3
285.33630	0.3
357.11908	4.7
361.16101	0.3
375.13019	0.7
444.13141	0.4
541.22809	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.25
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	74.7
61.98839	9.2
68.35525	1.8
69.03455	5.1
69.43105	4.2
69.43493	4.4
71.01011	3.4
71.01386	58.8
72.99303	1.8
73.02946	16.9
78.95881	2.2
80.91669	4.5
82.95406	10.9
83.01370	4.6
85.02946	14.6
87.00867	6.6
89.02444	73.5
94.98075	4.2
95.01365	3.4
96.95999	10.7
97.02940	8.1
99.00877	12.1
101.02449	44.8
111.00883	7.0
113.02465	20.3
119.03492	12.5
123.04502	1.9
125.02425	7.0
131.03549	10.7
131.29868	1.8
133.02986	3.2
133.26328	1.7
135.04524	10.9
143.03474	3.0
149.04568	27.6
150.05733	1.9
152.99548	2.5
159.02953	1.8
161.02408	7.5
161.04536	9.1
165.05493	2.5
179.03503	6.8
179.05663	2.8
191.05617	7.5
201.01849	2.7
263.11319	3.5
275.07584	2.0
293.08868	4.5
303.14441	2.0
349.18607	12.0
379.16010	5.3
394.17282	1.8
459.14896	8.1
463.21976	2.0
481.11783	3.7
481.22913	100.0
482.23154	2.6
505.15475	13.5
526.68414	2.2
541.13550	4.3
541.21619	10.8
557.51855	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	541.3152
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
59.01388	31.7
61.98833	41.1
63.76985	4.4
70.42833	6.5
70.43166	7.7
71.01379	16.3
87.00861	7.4
89.02440	13.0
93.03461	9.3
101.02425	12.8
122.02477	24.4
125.02431	8.5
131.07304	4.8
133.02905	7.9
135.04504	7.6
161.02429	11.1
168.00580	7.7
173.04503	8.9
191.05624	13.1
265.09689	6.0
309.08731	9.5
336.22409	7.8
361.11749	7.5
505.33719	31.9
541.12378	5.3
541.31653	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	541.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84855	0.3
55.01872	0.4
59.01378	8.6
60.99306	14.6
61.98833	2.5
68.99799	0.3
69.03427	0.6
69.70394	0.7
69.70747	0.7
71.01374	3.8
72.99303	0.3
73.02950	0.9
75.00879	0.6
78.95898	0.8
83.01377	0.6
85.02957	1.2
87.00887	3.0
88.98804	100.0
89.02442	13.2
93.03457	1.0
95.01366	0.6
95.08673	0.4
96.96028	1.3
97.02945	0.5
99.00867	0.5
99.92583	1.0
100.93363	0.8
101.02442	3.1
104.13006	0.3
107.84486	0.3
108.02221	0.4
109.02999	0.4
109.06592	0.3
111.00848	0.4
113.02440	1.2
115.92108	1.1
116.57459	0.3
116.92868	2.1
119.03481	0.5
119.05032	0.4
121.02956	0.4
122.03794	0.5
123.04522	0.4
123.95453	0.3
125.02435	0.4
129.69814	0.3
133.02969	2.5
134.03726	0.6
135.04521	6.5
136.04852	1.3
137.02444	0.6
137.05098	0.5
145.02904	0.4
149.02502	0.6
149.04573	0.8
150.03233	1.4
151.00520	0.4
151.03967	0.3
152.99574	0.5
161.02449	6.4
161.04562	0.6
162.02786	0.4
163.04071	0.3
165.05562	1.1
166.02792	0.4
177.05617	0.5
179.03519	3.3
180.04189	0.4
191.05577	2.2
195.06619	0.8
199.09793	0.9
209.11853	0.8
215.07162	0.6
221.04553	0.5
227.16597	0.3
231.10216	0.5
239.05515	0.5
240.04161	0.5
241.05029	0.7
241.14539	0.3
255.06621	0.4
257.08334	0.7
281.06592	0.6
315.08496	0.8
333.19101	0.5
341.08685	0.5
379.16202	1.8
401.89310	0.3
479.09979	0.5
481.22729	1.6
493.15298	0.5
495.24191	2.1
497.16980	0.4
511.16422	0.5
523.17786	0.5
527.81348	0.3
541.09943	1.2
541.18811	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	541.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	2.2
61.98820	3.0
62.49236	0.9
71.01373	1.1
73.32881	0.8
85.43542	0.8
89.02435	1.0
90.09186	0.8
101.02431	1.2
119.04992	1.1
135.04550	1.1
143.05058	0.9
151.00383	1.1
158.30917	0.9
161.02509	1.2
167.10768	100.0
168.11063	1.9
173.04463	1.0
184.61729	0.9
191.05635	1.5
211.09744	7.3
211.13356	2.3
229.14423	1.2
269.63434	1.1
308.06393	2.5
309.03870	2.1
310.04330	5.8
311.04559	6.1
329.23361	16.0
352.05457	2.0
353.05389	1.9
512.95416	0.9
541.10352	12.0
541.32391	3.0
542.10651	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.9
65.83574	0.7
70.90512	0.6
71.01381	27.6
71.05023	4.2
72.99324	0.8
73.02946	2.0
85.02967	2.3
88.04047	3.6
88.98824	2.0
89.02448	7.5
90.99220	0.7
94.98082	1.7
95.01388	0.9
99.04509	1.1
101.02445	8.0
101.35172	0.7
109.03001	0.9
113.02470	3.7
116.03535	1.2
119.03506	1.7
128.07219	2.5
133.02960	16.3
133.03984	0.8
134.03763	1.1
135.04546	6.4
136.04927	1.7
146.08234	56.5
147.08578	1.4
155.82106	0.6
161.02446	43.9
161.04628	2.4
162.02789	1.4
179.03520	3.1
180.03894	1.0
191.05669	1.4
200.09286	0.8
263.11270	1.0
308.13474	5.5
362.14362	1.5
380.15610	100.0
381.15897	3.2
456.14200	0.7
499.29254	5.5
542.18774	65.4
543.19202	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	543.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.4
60.99306	1.8
67.01887	8.1
69.03464	2.1
71.01375	4.7
73.82063	1.4
77.03966	1.7
85.02946	5.0
87.00874	11.2
89.02436	1.6
93.03457	44.8
95.05030	2.6
105.03463	10.8
107.05027	4.4
109.02947	10.1
111.04508	6.0
113.51416	1.4
116.07153	3.3
123.04536	2.4
127.04033	1.7
133.02957	75.9
134.03548	1.4
135.04526	23.6
146.57057	1.3
147.85757	1.5
150.03206	3.5
155.03488	1.8
158.08188	3.8
173.04562	30.0
173.57736	1.5
177.01930	22.6
179.03456	9.6
183.82346	1.6
191.05617	42.9
200.05746	1.7
201.07634	3.2
215.05609	41.3
216.49011	1.3
248.63345	1.4
307.08191	5.6
351.07211	100.0
352.07520	4.1
365.53741	1.9
389.62506	1.6
480.35861	1.6
520.74463	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	543.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
59.01378	9.2
61.98828	7.1
64.23547	0.6
65.00320	4.0
68.99796	0.8
69.03448	1.5
71.01379	5.6
72.60061	0.6
72.99288	0.9
73.02940	2.0
77.86981	0.6
78.98592	1.6
79.95728	6.2
80.96512	17.7
81.03450	1.0
83.01395	3.0
85.02956	1.8
85.95087	0.5
87.00864	1.7
89.02440	4.7
93.03442	1.8
94.98081	3.5
95.01402	0.8
96.27615	0.6
96.96011	3.4
97.02947	0.9
99.00854	2.3
101.02444	6.1
106.98005	0.9
107.01392	5.8
108.02206	0.6
109.02964	1.3
109.09651	0.8
111.00861	0.7
113.02457	1.7
119.05029	37.1
120.05345	0.9
121.02956	5.0
122.03254	1.5
122.97581	1.3
123.04517	1.1
125.02446	10.1
131.01479	0.6
131.03491	0.9
131.07085	0.9
133.02939	2.3
134.03723	0.9
134.97493	0.8
135.04509	11.0
136.01588	0.6
137.02382	1.1
139.11404	0.7
145.02890	1.3
147.04457	0.8
148.99139	0.7
149.02428	0.7
149.04524	2.6
149.05934	0.8
151.00374	17.5
152.98657	1.4
153.05562	0.9
155.10791	0.7
159.04491	0.8
161.02432	7.8
161.04526	0.8
161.06058	0.8
163.03960	3.2
164.01134	0.9
164.98576	2.5
165.01956	1.4
167.03455	2.8
172.05287	5.3
173.04520	0.8
175.00340	1.8
175.03984	1.4
177.01971	0.9
179.03474	2.4
181.05084	5.0
182.03680	0.7
183.04474	1.5
183.10378	0.9
184.10680	0.6
185.06035	2.1
187.03893	1.8
187.07613	1.2
189.25801	0.6
191.05591	2.9
196.05305	1.9
197.06053	0.9
199.00711	13.3
199.03844	0.7
199.07629	1.0
199.09787	0.7
200.04782	2.1
200.08348	0.6
201.09154	2.9
211.03754	0.9
211.07571	3.1
211.13387	2.1
212.04712	0.8
213.05498	1.2
214.06253	1.2
215.00211	8.7
215.07050	0.8
224.04704	1.5
225.00702	3.8
225.09210	0.8
227.03444	1.2
227.07051	1.0
229.08698	6.8
240.04225	1.5
241.05035	0.9
242.99600	2.5
245.57936	0.7
249.05495	0.8
253.05118	0.7
253.08698	2.1
255.06609	7.7
261.05484	2.8
263.03436	1.0
264.04187	1.3
265.04993	1.5
265.20752	0.7
266.05768	1.4
269.08087	0.8
275.02103	0.7
277.04819	0.9
278.05890	0.6
279.06540	1.4
280.03650	0.7
284.03250	1.0
285.03952	2.6
293.07986	0.6
294.08841	1.0
295.09708	2.2
299.04321	1.1
304.05881	1.8
305.04559	7.4
306.05374	1.2
307.05942	1.7
308.03290	14.5
309.03928	5.8
309.07269	1.0
321.03857	1.2
322.04825	1.6
323.05463	2.7
333.04010	3.0
334.04562	1.3
334.08298	0.8
335.05609	0.8
336.06232	1.9
337.07178	15.9
337.11075	1.1
347.17035	1.3
351.04974	1.6
352.05807	0.9
362.08011	0.9
363.08627	2.4
380.08871	1.3
381.09769	54.6
382.10001	2.0
423.10510	0.7
451.84085	0.6
471.09045	0.8
479.06354	5.3
483.29733	0.8
485.10437	0.9
499.12692	0.8
507.18588	1.1
511.08929	5.1
525.13861	1.8
543.14783	100.0
543.21637	16.3
544.15533	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	543.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19944	0.2
54.70254	0.2
59.01383	5.7
61.98837	1.1
62.75293	0.3
65.03954	0.5
67.01882	0.3
68.99821	1.6
69.03458	6.7
69.12090	1.1
69.12493	0.4
71.01384	2.8
73.02930	0.4
80.91673	0.7
85.02927	0.4
85.06588	22.7
89.02449	3.2
89.27611	0.2
93.03460	2.3
98.22556	0.4
101.02444	5.1
113.02463	0.8
119.03490	1.3
121.02913	1.4
121.06607	0.4
131.07141	100.0
132.07472	1.0
143.03450	0.3
145.08723	1.3
149.04541	0.4
153.05565	6.1
163.07671	0.3
173.04616	0.3
173.06105	0.7
174.01834	0.3
179.03506	1.2
179.05588	0.4
191.07161	1.0
204.02820	0.2
205.08783	0.3
223.09753	0.5
240.94928	0.2
249.07715	0.3
255.02873	0.2
262.60529	0.3
273.86749	0.2
308.98608	0.3
310.85913	0.2
311.11292	1.8
317.02649	0.2
349.13013	0.3
395.38062	0.2
397.11301	0.4
407.66409	0.3
429.13986	12.3
430.14575	0.3
446.08691	0.4
483.22440	0.5
507.35727	0.3
543.20917	14.8
543.33075	2.1
544.21112	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.2
61.98826	1.4
65.03971	0.7
68.99835	1.9
69.03456	10.6
69.12347	2.0
71.01382	4.8
72.99275	0.4
73.02924	0.5
76.35880	0.4
77.02425	0.4
85.02943	1.4
85.06590	24.9
87.00887	0.8
89.02448	4.4
93.03467	3.2
96.96042	0.5
101.02443	6.0
113.02460	2.1
113.06051	0.7
119.03492	1.4
119.80592	0.4
121.02953	1.7
121.06590	0.8
131.07141	100.0
132.07465	1.0
135.04524	0.9
137.02505	0.4
140.40053	0.4
149.02446	0.6
149.04590	0.5
151.00331	0.6
153.05583	9.1
161.02425	0.5
161.04532	0.6
173.04588	0.9
173.06056	0.9
179.03514	1.3
179.05722	0.6
186.46776	0.4
191.05673	0.9
191.07198	1.2
205.08780	0.4
223.09772	0.8
248.64723	0.4
249.07597	0.4
255.02957	0.5
269.04599	0.6
270.30673	0.4
283.02631	0.4
284.03183	0.4
285.04041	0.7
311.11438	3.0
316.73746	0.4
381.09531	1.0
429.14001	19.6
446.08167	0.7
483.22409	1.5
521.84058	0.4
543.20905	18.9
543.33069	1.2
544.21423	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2446
Annotation	Agnucastoside B
Peak:m/z	Relative Intensity
53.01580	0.2
57.03452	0.3
58.48888	0.2
59.01379	7.9
61.98817	2.1
69.03455	4.0
71.01385	3.5
73.02937	0.5
74.54104	0.2
79.09142	0.2
81.03454	2.3
82.95430	0.3
83.01381	0.4
85.02940	1.0
87.00883	0.7
89.02439	4.5
93.03477	0.5
95.01389	0.6
96.96017	0.6
101.02451	2.8
105.07101	0.3
113.02453	1.8
114.02789	0.3
119.03500	1.6
124.42940	0.2
125.02438	5.3
133.02957	0.3
133.06593	2.7
135.04562	0.5
139.11310	1.8
141.12848	0.4
149.04594	0.5
151.07655	2.1
155.03445	0.5
161.02396	0.6
161.04546	0.7
173.04546	0.7
177.05536	2.3
179.05603	1.1
185.11827	100.0
186.12129	2.2
191.05573	0.6
195.06665	1.7
347.17084	2.6
357.11920	2.4
427.29993	0.3
483.29547	0.3
543.24438	1.8
544.24359	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36131	1.8
57.03431	1.8
59.01379	81.4
61.98837	7.0
64.28636	1.4
69.03466	2.6
71.01381	45.3
71.47401	1.6
73.02950	18.9
75.48930	1.6
78.91902	1.9
83.01420	1.8
85.02962	7.1
89.02448	100.0
90.02722	1.6
93.03451	2.2
96.96012	47.4
99.00890	22.1
101.02445	43.9
113.02467	8.9
116.92870	5.6
117.92900	3.5
119.03499	6.5
125.02472	2.8
131.03505	21.6
135.04539	2.2
143.03493	3.8
149.04559	91.1
155.03416	1.6
161.02415	3.1
161.04532	4.3
167.03453	1.9
173.04593	2.9
191.05591	26.1
221.06660	7.1
251.07785	6.2
266.05963	2.4
293.08582	1.8
311.09830	5.0
353.06543	2.5
452.56177	1.6
501.23605	2.7
508.28683	2.0
520.22412	1.7
544.26099	11.4
545.12201	1.7
545.25653	4.2
547.72723	1.6
569.21265	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	544.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36802	1.1
56.54367	0.9
59.01377	71.5
61.98811	2.0
69.12167	2.5
69.12576	3.6
71.01381	45.3
72.99310	1.5
73.02943	10.2
79.95737	2.2
80.41278	0.9
83.01396	1.6
85.02948	5.5
85.70379	1.0
87.00359	1.0
87.00861	3.6
89.02441	82.5
93.03466	1.1
96.96011	82.2
99.00882	3.6
101.02440	46.3
104.18279	0.9
113.02485	7.9
119.03505	5.1
123.94131	0.9
125.02409	2.0
131.03500	27.9
133.02913	1.3
135.04457	1.8
137.09697	2.1
143.03487	2.3
149.04547	100.0
151.04044	1.3
161.02435	4.3
161.04514	3.5
165.05513	1.1
183.11971	1.2
191.05623	18.8
221.06673	1.8
251.07715	2.8
281.08505	1.5
293.08768	1.7
303.09235	1.1
311.09726	5.1
344.76663	1.0
353.06699	1.8
484.25061	1.2
501.23395	1.1
507.28223	2.3
508.28397	7.9
544.18457	1.5
544.26135	16.0
545.25824	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	545.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23067	0.1
55.76128	0.1
59.01367	0.4
61.98802	0.1
72.99281	0.1
79.95733	2.3
80.91685	0.2
82.51346	0.1
85.02962	0.1
89.02473	0.2
93.03402	0.1
94.98059	0.1
96.96009	100.0
109.02934	0.1
111.88358	0.1
135.97644	0.1
135.98856	0.1
137.77489	0.1
150.03108	0.1
161.02458	0.2
165.38889	0.1
191.05640	0.5
194.52075	0.1
210.38710	0.1
266.05872	0.2
284.03226	0.2
285.03998	0.6
294.04916	0.1
353.06552	0.6
447.09424	0.7
545.19012	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.0
67.01907	0.7
69.28152	2.1
70.59808	0.5
71.01372	1.2
73.02956	0.5
79.76595	0.5
85.02957	5.9
87.00874	2.1
89.02465	0.9
93.03428	2.7
97.62786	0.5
99.00873	0.6
111.04481	0.7
114.04524	0.7
115.51252	0.5
116.07172	0.6
120.04543	0.6
127.03998	1.3
131.89630	0.6
133.02956	1.6
135.04480	1.3
141.92366	0.6
158.08208	1.5
161.02415	1.5
173.04585	1.3
179.03496	1.0
191.05605	100.0
192.05919	1.3
202.99977	0.6
203.01889	2.7
215.05609	0.9
279.61023	0.8
351.07202	0.9
353.08658	16.3
551.57745	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1665
Annotation	Pedunculosumoside D
Peak:m/z	Relative Intensity
51.10469	0.8
59.01370	2.1
61.98812	1.3
63.02384	0.8
65.00327	6.7
70.02274	2.5
71.01376	1.5
80.02684	1.7
83.01372	3.7
85.02946	1.4
85.10745	0.8
90.00439	0.8
93.03452	1.4
96.96010	2.0
101.02467	1.1
107.01390	14.3
108.02174	10.6
120.02170	0.9
121.02980	1.2
123.00877	1.5
124.01627	2.3
125.02428	3.2
133.02998	0.8
134.03735	16.3
135.04514	15.9
136.01669	18.9
143.05000	0.8
147.04494	1.1
151.00374	43.1
152.01062	1.5
153.01883	1.0
155.05031	1.4
161.02414	1.6
163.00397	2.1
164.01151	55.3
165.01900	4.0
167.03482	1.9
173.04539	1.4
174.03214	13.3
175.00385	4.5
175.03932	1.9
176.07674	0.8
177.01898	5.2
185.02406	1.6
185.06030	1.1
187.03998	1.0
188.04800	1.5
189.05519	1.0
191.05603	7.6
195.04628	0.9
196.00111	8.8
197.11823	2.3
198.03174	2.1
199.04012	17.6
200.04720	1.8
201.01930	13.1
203.90501	0.8
211.04045	0.8
213.05588	2.4
215.03481	8.1
216.04297	2.2
217.04990	2.1
224.04663	1.6
225.05507	0.8
240.04272	2.9
241.05051	9.6
242.05812	6.5
243.02867	1.2
253.09303	1.3
256.03842	0.9
256.07294	1.0
257.04507	5.5
258.05304	6.1
268.03839	2.0
269.04623	1.1
284.03214	1.0
285.00748	1.7
285.04050	64.0
286.04810	100.0
287.05457	5.4
299.05606	3.1
309.20651	1.5
310.04892	2.4
353.13837	1.6
365.10226	2.9
383.11356	82.7
384.11948	3.8
447.09390	2.7
448.10117	38.1
448.16391	1.8
449.10251	1.5
457.93988	0.9
545.19983	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1664
Annotation	Pedunculosumoside D
Peak:m/z	Relative Intensity
50.37567	0.4
55.74738	0.4
59.01381	4.0
61.98840	3.3
63.02398	1.1
65.00329	8.2
66.57458	0.3
68.99799	0.4
69.07767	2.1
71.01383	3.4
71.11569	0.4
73.02935	1.1
73.41409	0.3
82.95396	0.7
83.01392	3.4
85.02956	1.7
87.00865	0.4
89.02442	2.8
90.95686	0.3
93.03448	1.5
96.96001	5.1
97.19747	0.3
99.00857	0.9
101.02470	2.6
103.01884	0.4
107.01389	11.9
108.02165	0.7
109.02958	0.5
111.00883	0.4
113.02441	0.7
119.03504	0.4
121.02998	0.5
123.00880	0.4
123.04520	1.3
123.26402	0.4
124.01673	0.5
125.02454	3.9
131.01373	1.4
131.03508	0.5
133.02975	1.5
134.03752	2.2
135.04510	2.2
136.01691	0.9
137.02423	1.6
148.04114	0.7
148.05305	14.4
149.02431	1.0
149.04541	0.5
149.06070	0.4
150.03244	0.5
151.00371	67.1
152.00734	1.1
155.03534	0.6
161.02441	1.1
162.03172	1.6
163.04005	0.5
164.01146	3.5
165.01912	1.3
165.09036	0.4
167.03532	2.6
169.01419	0.9
173.02448	0.4
173.04695	0.7
173.06029	0.8
173.15060	0.4
174.03236	1.0
174.06874	6.6
175.00363	7.9
175.02493	0.8
175.03911	0.8
175.07419	0.4
176.04810	0.9
177.01939	3.1
177.09177	0.9
179.03452	0.5
180.04242	2.0
180.36781	0.3
187.04065	0.5
191.03989	0.6
191.05598	3.4
193.01347	1.5
196.00117	0.6
197.06105	0.4
198.03244	0.5
199.04002	1.9
200.04570	0.4
201.01979	0.9
202.09924	0.4
203.10777	62.1
204.11081	1.5
205.01315	0.7
212.04819	0.4
213.05536	0.4
215.03493	0.5
229.08717	0.6
231.10249	42.6
232.10623	1.2
240.04262	0.5
241.05008	1.4
242.05775	0.4
256.03766	0.5
257.04694	0.4
257.08109	0.9
284.03259	7.5
285.04041	25.6
286.04834	4.4
313.05649	2.0
353.13992	0.6
362.21243	0.4
365.09967	0.7
369.13132	0.5
371.15335	0.4
383.11353	100.0
384.11734	4.7
393.15167	0.4
425.12869	0.4
428.12512	0.4
447.09338	13.4
448.10107	4.2
485.23792	1.4
527.15228	0.5
545.16693	11.1
545.25940	6.4
545.33014	0.5
546.17023	0.5
564.56189	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
57.03443	4.4
59.01384	6.0
61.98830	8.2
63.02386	1.6
65.00322	13.5
69.03447	0.9
69.18938	2.0
69.19366	2.6
71.01386	3.6
73.02966	1.1
81.03449	5.0
83.01381	12.0
83.95296	0.6
85.02949	2.3
89.02454	1.9
93.03451	2.7
96.96002	10.7
97.02963	1.0
99.00869	0.7
101.02451	2.7
105.03474	1.1
107.01392	23.4
109.02949	1.7
113.02461	1.2
115.97545	0.7
119.05022	1.0
121.02965	1.9
123.04523	41.6
124.04972	0.7
125.02444	43.0
131.01396	2.6
131.07156	1.5
133.02968	4.4
135.04526	4.3
137.02420	4.0
138.03284	0.8
139.04015	1.2
145.02998	1.0
149.02457	2.8
151.00368	100.0
151.04033	2.6
152.00740	1.0
153.01990	1.2
158.03664	1.3
159.04515	2.4
161.02441	13.9
163.03969	1.5
164.01071	0.8
165.01935	2.6
166.02751	1.1
167.03491	99.6
168.03778	2.0
169.01350	0.9
172.05295	8.9
173.04506	2.0
173.06059	3.9
175.00356	14.2
176.04939	0.9
177.01915	1.9
179.03520	2.7
181.05083	1.7
184.05267	0.7
186.03146	1.2
186.92496	0.8
187.04025	3.0
187.07632	63.9
188.08066	1.6
191.03487	14.3
191.05557	3.5
193.01392	2.5
195.03043	0.8
200.04761	7.1
201.05560	5.8
202.06348	17.3
203.03476	1.0
203.10559	1.0
205.01369	1.4
209.04573	5.7
211.07600	1.4
213.09210	9.0
215.07112	52.6
216.07651	2.6
217.01393	0.9
221.04485	2.3
229.08691	1.9
231.10243	11.7
239.07079	1.4
257.08179	2.0
279.10312	0.9
284.03564	1.0
285.03964	2.5
295.09781	1.0
309.04010	4.0
310.04752	0.9
313.05573	2.5
321.11209	1.4
323.07318	0.9
329.08514	3.7
337.10751	2.0
339.08722	27.9
339.12311	1.5
340.08902	1.0
360.75772	0.8
363.08685	1.0
364.09576	0.8
365.10287	33.1
366.10446	2.1
381.09799	1.0
383.11334	92.8
384.11667	5.0
389.10361	5.3
407.11185	4.7
471.09470	0.9
501.14072	25.0
502.14163	1.3
509.20285	9.4
511.34009	0.7
527.15778	3.8
545.16083	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	545.1665
Annotation	Pedunculosumoside D
Peak:m/z	Relative Intensity
57.03437	3.8
59.01367	2.0
59.89777	0.6
60.41714	0.8
63.02391	1.6
65.00320	12.1
67.01882	0.6
81.03448	5.5
83.01383	9.5
85.02943	1.1
91.14423	0.6
93.03465	2.1
95.05016	1.2
96.96005	1.4
97.02950	1.4
107.01386	21.5
109.02973	1.2
109.14606	0.6
112.43673	0.6
121.02876	0.7
123.04523	39.4
125.02444	43.9
126.02758	0.8
131.01389	1.9
135.04509	0.9
137.02431	2.0
149.02443	2.4
151.00368	95.2
151.04008	2.9
152.00702	1.4
153.01865	1.9
158.03679	1.3
159.04515	3.1
161.02426	1.5
163.04034	0.9
165.01892	1.9
166.02859	0.7
167.03491	100.0
168.03796	2.3
169.01395	1.2
172.05283	9.8
173.04649	1.4
173.06068	4.0
174.06876	1.0
175.00343	13.6
176.04778	0.9
177.01906	1.3
179.03503	2.0
181.05078	1.8
183.04515	0.8
184.05299	1.4
186.03180	1.2
187.04128	1.8
187.07637	66.4
188.08098	1.8
191.03506	15.1
191.05592	4.5
193.01414	2.4
200.04802	7.0
201.05582	6.4
201.09232	1.6
202.06349	15.4
203.03711	0.9
205.01350	1.5
209.04521	5.2
211.07573	0.9
213.09207	10.0
215.07115	51.7
216.07732	2.5
217.01527	0.8
221.04494	2.1
228.04289	0.9
229.08731	1.2
231.10237	12.7
233.04611	1.1
253.08810	1.0
257.08185	3.2
309.03937	3.3
310.04898	1.6
313.05670	4.1
321.11441	1.6
329.08807	4.3
337.07355	0.9
337.10849	2.6
339.08722	28.3
339.12643	1.1
340.09167	1.7
363.08575	1.2
364.09164	1.0
365.10263	34.8
366.10684	1.4
369.52466	0.7
371.14899	1.6
381.09512	1.0
383.11353	98.3
384.11530	3.9
389.10291	5.5
407.11316	4.5
419.11450	1.2
425.12100	0.9
431.10944	0.8
449.12000	0.8
471.09409	1.6
501.13998	26.4
502.14713	1.5
527.15332	5.2
545.16211	12.7
546.16547	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.8
61.98833	3.7
67.01888	2.0
68.99814	21.6
69.03458	4.1
70.49636	0.8
71.01385	6.9
73.02922	1.7
79.60589	0.9
83.01391	0.9
85.02940	6.9
87.00881	3.7
91.01905	4.7
93.03465	18.0
96.96010	8.8
99.00874	1.4
101.02444	31.4
107.05036	13.0
109.02953	1.1
111.04521	1.8
113.02441	2.4
114.81631	1.0
119.01411	2.0
120.02182	1.8
121.02959	19.6
121.06603	2.8
125.02474	1.0
127.04015	1.6
132.05832	1.5
133.06592	66.9
134.03682	1.0
135.04517	2.4
136.01648	1.4
137.02478	2.8
147.04533	3.6
149.02451	1.4
151.00388	1.4
151.04041	5.8
153.05594	3.4
154.02737	1.9
159.04533	2.2
161.02472	1.1
161.04588	2.1
161.05869	0.8
165.01967	2.3
171.02890	1.0
172.05409	0.9
173.04564	4.9
173.06078	3.2
177.01907	1.0
179.03471	13.3
179.04897	1.2
187.07672	2.6
189.04073	1.1
189.09306	1.3
191.05609	39.5
200.04744	2.2
201.05511	1.9
215.07123	26.5
217.05055	1.5
229.08749	1.5
231.10220	1.3
277.38791	0.9
285.04117	1.9
286.04773	1.7
309.09763	2.1
341.08856	2.1
383.11380	2.8
443.17337	4.5
451.48611	0.9
475.16086	100.0
476.16489	3.6
513.17670	1.0
545.20245	14.7
545.28009	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	7.6
60.27670	1.8
61.98832	3.6
68.99818	25.9
69.03465	5.8
71.01382	5.0
71.46339	2.0
73.02933	3.1
73.55699	2.0
83.05042	2.0
85.02952	7.0
87.00892	2.2
91.01877	4.6
93.03442	16.1
96.96010	10.6
99.00884	2.2
100.88587	1.7
101.02443	41.1
102.95015	2.0
107.05016	13.1
113.02438	3.8
116.45649	1.8
121.02953	23.9
121.06572	2.1
123.04561	2.3
133.06596	81.1
135.04562	3.2
136.01636	2.9
147.04559	3.1
149.02376	2.3
151.00404	5.5
151.04022	7.3
153.05571	2.5
161.04607	2.2
164.01108	2.8
165.01894	2.7
173.04587	3.9
179.03500	18.8
191.03831	3.1
191.05614	26.4
193.40363	2.1
213.54384	2.1
215.07121	15.6
227.66516	2.5
285.04062	3.2
286.04810	4.5
304.32425	1.9
309.09778	2.4
383.10922	4.0
388.97849	2.0
423.38708	2.1
443.16983	5.1
475.16116	100.0
476.16663	5.5
545.20203	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	545.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32093	3.7
59.01381	55.7
61.98827	11.5
62.12207	3.8
65.00316	4.2
68.99847	4.7
69.03447	4.5
71.01391	42.2
73.02943	14.4
75.29159	4.4
85.02946	17.1
87.04526	62.3
89.02435	40.2
91.66437	4.0
96.96008	30.3
99.00907	4.4
101.02452	35.8
107.01402	12.3
113.02457	14.0
119.03500	8.1
125.02506	4.6
131.03462	9.6
133.02950	5.2
134.03746	16.0
135.04529	18.1
136.01706	10.3
149.04596	25.3
151.00348	36.6
155.03481	6.8
161.02495	8.1
161.04547	9.1
164.01173	32.0
165.02028	4.3
166.19084	4.0
173.04514	5.0
174.03078	6.0
175.00351	6.7
190.12518	3.9
191.05640	48.7
199.03969	17.3
201.02034	5.2
233.06955	5.7
241.05049	9.9
242.05780	7.5
256.07339	7.5
269.04486	6.6
275.55176	4.0
284.03308	6.7
285.04019	57.7
286.04819	34.1
353.13815	7.6
383.11319	60.9
384.11578	5.2
447.09534	7.2
448.10190	33.2
485.24069	28.9
507.35498	8.1
509.26050	100.0
510.26511	5.6
543.27740	4.5
545.23669	80.9
545.32880	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	31.1
61.98799	13.3
70.12810	19.9
70.13139	12.7
73.80428	11.6
96.96013	100.0
98.22587	15.6
109.77926	12.4
137.72404	11.8
151.00357	14.4
162.83884	12.1
209.11748	17.3
274.51309	13.8
274.54636	13.8
313.35641	13.6
411.60873	16.9
448.09515	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	546.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88326	0.7
53.03951	1.2
59.01377	29.3
61.98830	4.6
69.03455	6.7
69.41751	2.5
69.42160	1.6
69.47156	0.8
71.01384	7.9
72.99295	1.0
73.02942	11.8
81.03455	49.2
82.50346	0.7
82.95419	0.9
85.02956	3.9
86.00053	1.1
87.00877	4.4
89.02442	8.7
98.21774	1.7
101.02448	17.2
103.04015	7.1
104.56999	0.7
113.02434	1.3
115.04025	2.7
119.03488	4.0
120.66854	0.8
123.08124	1.2
125.02446	100.0
126.02692	0.8
131.03520	3.9
135.03154	0.8
135.68546	0.8
142.53639	0.8
143.03520	3.2
145.05087	2.5
149.02426	2.1
149.04485	1.0
151.07628	10.1
159.87982	0.9
161.02399	1.6
163.06122	26.0
167.07155	2.1
177.05591	1.6
191.05560	3.9
195.06621	22.0
205.07185	3.9
215.23828	0.8
265.09335	2.7
307.10333	2.5
325.11139	0.8
392.06720	0.8
503.17706	55.5
504.17853	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	546.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
57.03449	1.9
58.00607	0.4
59.01381	33.2
61.46614	0.4
61.98818	0.6
68.99831	0.4
69.03455	1.7
69.15836	2.3
71.01385	31.9
72.01694	0.4
72.99294	1.0
73.02554	0.7
73.02947	9.6
75.00906	0.5
81.03472	0.5
82.95428	0.6
83.01383	6.0
85.02954	9.9
87.00859	1.8
89.02448	24.0
93.03480	0.9
95.01397	1.3
96.96013	4.8
97.02946	1.9
98.95622	0.5
99.00889	4.1
101.02450	25.2
102.02769	0.4
111.00874	3.4
113.02456	10.9
115.03996	1.1
119.03522	2.1
125.02480	2.5
129.01894	0.5
131.03508	10.8
133.18004	0.3
143.03490	2.0
149.04579	7.9
149.09706	0.5
153.05571	0.4
159.03026	1.1
161.02444	0.9
161.04564	4.4
173.04594	0.7
191.05634	2.4
209.15437	2.3
215.05659	0.7
233.06609	2.5
251.07933	0.5
293.08682	1.5
353.19849	0.9
371.20758	11.6
372.21210	0.4
430.14093	0.4
503.25003	100.0
504.25284	5.6
508.28448	1.7
546.26099	1.8
547.23999	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.6
56.51193	1.2
57.03444	3.1
59.01380	34.1
65.54708	1.5
69.31374	6.0
71.01378	36.3
73.02596	1.8
73.02944	15.7
73.75233	1.3
77.56623	1.3
83.01387	5.3
85.02943	15.2
89.02443	23.1
95.01397	2.8
98.21831	2.7
99.00892	8.8
99.35807	1.4
101.02445	37.3
106.15717	1.5
113.02455	14.4
119.03500	3.1
125.02473	3.2
131.03490	4.4
143.03493	2.6
147.74852	1.3
149.04579	8.5
159.02975	3.3
161.04568	11.8
191.05565	3.4
192.66853	1.4
209.15446	4.6
221.56482	1.4
233.06613	1.9
233.53207	1.3
242.68945	1.3
245.78424	1.2
351.16782	1.2
371.20697	27.8
372.20856	2.0
407.00034	1.4
503.24988	100.0
504.25290	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	547.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03341	1.2
55.01873	1.5
57.03452	1.2
59.01376	47.9
63.16362	1.2
67.01897	2.8
68.99812	3.0
69.03455	9.0
69.23032	6.2
71.01378	31.2
72.99284	2.1
73.02948	7.1
78.95896	3.0
83.01360	3.0
85.02953	11.3
87.00854	3.7
88.98821	6.1
89.01918	2.1
89.02437	23.7
93.03426	4.4
95.04998	2.7
96.95999	6.7
97.87826	1.3
99.00882	4.0
101.02437	30.6
107.04995	3.0
107.78651	1.3
107.79494	1.5
108.02161	9.1
109.02937	9.1
110.16000	1.2
111.00871	25.5
113.02463	12.4
116.92805	1.4
117.03454	1.2
119.03501	10.8
131.03542	2.3
133.02036	2.1
133.02957	22.1
135.04489	5.3
143.03459	3.0
149.04504	7.3
151.04019	1.5
152.01157	18.9
152.08401	1.5
153.09166	3.6
159.02914	1.8
161.02440	100.0
161.04436	11.7
162.02702	1.5
165.03893	1.6
165.05551	1.7
167.07159	2.6
173.00903	5.9
173.04572	2.8
178.98549	1.3
179.03462	4.6
179.05566	5.6
189.99187	1.4
190.98898	1.3
191.05652	14.9
191.07176	1.9
194.05795	1.4
205.12276	2.4
209.08165	5.1
223.08122	8.7
223.13312	2.5
385.13174	4.4
385.18680	3.4
471.15109	2.3
515.13800	2.7
547.16620	92.7
547.23883	7.4
548.17377	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	547.1662
Annotation	Sparanoside B
Peak:m/z	Relative Intensity
50.73529	0.4
53.75884	0.5
59.01379	11.3
60.50829	0.5
62.34169	0.5
67.01884	0.9
68.99814	1.1
69.03435	2.6
71.01382	7.4
71.45906	0.7
73.02943	1.5
83.01412	0.8
85.02956	5.1
87.00871	2.0
88.98799	1.7
89.02430	6.4
93.03448	4.4
96.96005	1.0
97.02959	5.0
99.00905	0.9
101.02438	6.3
108.02190	1.0
109.02962	1.5
111.00888	2.2
111.04517	1.1
113.02411	2.7
117.03449	1.3
119.03528	1.7
119.04981	1.2
123.04528	1.4
125.02457	0.8
127.03991	1.1
129.01985	0.6
130.72682	0.5
131.03389	0.8
132.02180	1.1
133.01395	1.3
133.02953	26.7
134.03748	1.1
135.04521	10.0
141.01941	1.9
143.03542	0.7
146.03743	0.9
149.04556	1.0
149.06052	0.8
152.01112	1.5
161.02437	100.0
162.02719	2.1
163.03998	0.7
173.04529	2.5
175.04053	0.8
177.05565	0.7
179.03517	6.5
179.05017	0.8
179.05595	0.7
179.07161	1.0
191.05598	28.6
193.04999	1.2
203.03647	0.6
221.04529	1.3
223.08246	1.3
235.06133	0.8
251.05595	0.6
253.07079	0.6
281.06564	0.6
299.60971	0.7
367.10269	0.7
373.11395	1.3
385.11362	38.2
386.11642	1.3
393.61859	0.5
413.10132	0.6
511.23965	0.7
529.15228	1.1
547.16632	73.1
548.16974	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	547.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41531	0.6
57.03451	1.4
59.01379	25.7
60.99303	1.1
61.98824	3.8
67.01891	2.9
69.03457	16.5
71.01382	11.9
72.99313	1.0
73.02954	1.4
81.03446	1.1
83.01392	0.8
83.04983	0.7
84.99770	0.6
85.02959	9.0
87.00885	3.6
88.98802	8.3
89.02442	13.7
93.03465	19.3
95.01401	0.9
95.05030	0.8
96.96027	1.4
97.02951	20.8
98.44017	0.7
99.00900	0.9
99.61082	0.6
101.02444	8.6
105.03471	1.2
108.02209	1.4
109.02962	0.9
111.00879	5.2
111.04515	2.5
113.02453	6.6
119.03513	4.9
121.02970	0.9
121.06617	0.8
123.04542	4.5
127.04002	2.2
130.82697	0.6
131.03491	0.7
133.02982	4.4
134.03714	0.6
135.03018	0.6
135.04506	2.4
137.02441	2.2
141.01956	5.0
143.03467	1.2
149.04756	1.0
149.06081	6.3
152.01147	1.4
155.03471	2.2
157.05040	1.7
161.02454	12.8
161.04547	1.4
165.09142	0.9
167.07146	1.0
173.00972	0.9
173.04550	34.3
179.03510	2.0
179.05644	1.5
189.57671	0.7
191.05614	65.0
192.05872	0.7
193.05043	5.2
194.05777	0.9
209.08170	1.1
244.34766	0.6
266.88611	0.6
315.07312	1.0
323.11292	0.7
341.08780	0.8
371.13834	0.7
373.11371	3.7
385.11469	5.8
385.18771	1.0
389.86932	0.8
391.39709	0.7
511.23779	0.8
547.16687	100.0
548.17078	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	547.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21848	0.2
59.01373	2.3
71.01385	2.1
73.02955	0.4
79.95742	2.1
80.91674	0.4
82.95415	2.4
85.02972	0.5
89.02476	1.2
94.90547	0.2
96.96017	100.0
97.93146	0.7
97.95996	0.3
98.93903	0.4
98.95599	3.4
98.96346	0.4
99.00907	0.4
101.02460	1.1
113.02488	0.3
113.92664	0.3
114.53809	0.2
114.93411	1.9
116.92873	0.3
118.96628	0.5
119.03478	0.4
120.99672	0.3
135.03125	0.2
149.04555	0.6
156.02083	0.2
161.02451	0.3
173.22977	0.2
179.03529	0.4
191.05681	0.9
203.57899	0.2
213.04591	0.2
223.06451	0.8
231.03490	0.2
255.03014	0.5
265.07593	0.9
269.13882	0.6
307.08597	0.3
345.82968	0.3
366.31064	0.2
419.66934	0.2
427.12845	5.7
449.20062	1.2
467.12311	0.3
487.14954	6.0
488.15482	0.3
547.01935	1.0
547.13483	0.8
547.27631	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03564	0.9
55.01883	2.0
57.03450	0.9
58.00592	1.7
59.01380	100.0
61.98830	2.4
67.01874	1.7
67.93176	0.9
69.03442	4.0
69.20834	5.6
71.01382	63.3
72.99317	1.1
73.02953	12.6
81.03441	2.0
83.01382	4.0
85.02947	12.4
87.00869	3.9
89.02445	80.5
89.16273	1.2
91.62680	1.1
93.03450	6.2
95.01384	3.3
96.96019	3.3
97.02956	6.5
98.95590	1.8
99.00890	10.5
101.02451	44.1
111.00881	1.9
111.04514	1.9
113.02448	22.6
119.03510	29.6
121.02980	1.7
125.02453	21.3
131.03503	11.5
135.04517	1.7
137.02472	1.9
143.03520	9.6
148.05310	25.8
149.04561	29.8
149.05586	1.2
155.03508	2.2
161.04582	10.0
163.07663	7.6
173.04547	19.5
179.05597	18.8
180.70822	1.1
191.05605	7.6
221.06653	17.3
245.06715	1.2
251.07765	1.9
263.07657	6.8
277.67307	0.9
293.08481	1.1
311.09683	3.0
323.09863	43.5
373.18607	3.9
501.22757	1.1
505.26178	1.6
547.01758	1.2
547.23566	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	547.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
57.03435	1.2
59.01379	34.1
59.84908	0.6
60.90509	0.7
61.98830	4.3
62.12492	0.8
68.99814	0.9
69.03454	1.8
71.01382	25.4
71.45481	0.9
72.99332	1.2
73.02940	8.4
75.00871	1.6
76.81072	0.7
82.95423	1.6
83.01391	3.4
85.02950	8.9
87.00893	2.0
89.02447	21.2
89.03008	1.3
91.67505	0.7
93.03459	9.1
95.01373	2.1
95.47730	1.0
96.96023	3.0
97.02965	1.3
98.95595	1.5
99.00884	6.1
101.02441	17.7
107.01402	2.7
108.02169	0.9
109.02947	1.9
111.00912	1.0
113.02454	8.8
115.04012	0.9
117.03476	1.3
119.02718	0.7
119.03518	3.7
121.02935	1.6
123.04572	1.1
125.02472	2.1
131.03513	3.2
132.02135	1.1
133.02959	33.6
134.03743	4.2
134.62772	0.8
134.67619	0.8
135.04530	47.7
136.04897	1.3
137.02446	17.5
143.03508	1.1
148.05287	2.1
149.04610	8.1
149.06036	7.7
151.00398	3.3
151.03952	1.0
152.01149	0.9
155.03413	0.9
155.53740	0.7
159.03040	0.9
159.04561	0.8
161.02449	100.0
161.04364	4.1
162.02824	2.3
163.03984	1.1
167.03572	1.1
173.04593	2.1
177.01971	0.8
177.05583	13.3
178.02612	0.8
179.03496	52.5
180.03778	1.2
191.05618	7.9
203.03525	1.0
204.96248	0.8
214.06374	1.2
221.04553	24.4
221.06741	1.3
233.04457	1.1
233.06635	0.9
251.05603	28.0
251.08179	1.4
269.04480	1.8
272.83994	0.8
281.06680	44.6
282.07074	1.3
284.03366	6.1
285.04062	14.5
289.14511	0.9
293.08942	1.1
298.24295	0.9
305.37305	0.8
316.09500	3.5
323.07776	2.4
325.14420	3.1
331.11865	13.1
341.08752	32.1
342.09079	1.7
343.15356	5.4
415.23438	7.3
489.10434	4.1
509.20441	2.2
511.22366	4.7
529.13287	2.0
547.21686	24.9
547.27844	25.9
548.21765	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73340	0.9
59.01379	2.3
63.02402	1.4
65.00325	9.4
71.01394	0.9
77.44976	0.9
80.71325	0.8
83.01405	4.8
84.76284	0.9
89.02450	1.8
93.07253	0.9
102.16962	1.0
107.01392	17.7
107.02560	0.9
109.02979	3.5
125.02439	4.3
133.03012	1.1
134.03746	1.4
135.04530	88.3
136.04842	1.4
151.00377	100.0
152.00742	2.3
161.02426	3.1
161.70412	0.9
168.03873	1.2
190.57130	0.9
285.04034	1.4
287.05621	98.4
288.05905	3.9
357.12024	1.0
381.94775	1.0
388.18134	1.0
446.31085	1.0
470.21692	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.3
57.03446	0.6
59.01379	10.1
61.98838	0.4
66.95922	0.3
69.03471	0.3
70.09624	0.2
71.01380	6.4
72.99314	1.2
73.02948	2.1
75.00874	0.3
77.03940	0.3
82.95419	25.0
83.01399	0.7
83.02493	0.3
85.02947	1.8
87.00866	0.5
88.98808	0.6
89.02445	8.1
93.03465	0.7
95.01379	0.5
96.96032	0.4
97.02934	0.4
99.00894	2.4
101.02436	5.2
105.03469	0.9
109.02937	0.4
113.02457	1.8
117.03471	1.2
119.03503	1.0
123.04501	0.5
125.02467	0.7
131.03508	1.4
132.02159	1.4
133.02962	31.7
134.03802	2.3
135.02971	0.5
135.04530	12.8
137.02464	1.1
138.06834	0.4
149.04564	4.4
149.06070	0.8
151.00436	0.4
151.07582	0.3
152.08395	0.5
153.09210	1.1
160.04031	1.0
161.02446	100.0
162.02751	1.6
163.11336	0.3
173.04576	0.4
175.04021	0.5
177.01933	0.5
177.05589	1.6
178.02805	0.6
179.03497	9.1
179.05150	0.6
191.03989	0.4
191.05620	2.1
193.08644	0.3
205.12395	1.1
221.04562	2.4
221.06551	0.5
251.05592	1.6
251.07838	0.5
267.09979	0.4
269.04553	0.8
281.06616	3.5
284.03168	0.3
285.04202	0.5
293.08624	0.3
301.07129	0.7
302.07373	0.4
311.09598	0.3
336.09912	0.3
341.08731	2.0
367.11380	0.6
415.23175	0.5
477.23441	0.9
511.21570	0.4
529.20276	1.5
547.21735	71.7
548.22601	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	547.2678
Annotation	Eupenifeldin
Peak:m/z	Relative Intensity
53.03053	26.0
61.98825	37.3
63.95695	23.6
67.03954	22.8
69.78582	51.2
69.78963	49.2
101.02420	31.7
154.46472	24.1
171.38220	26.2
209.11856	68.5
229.27351	27.0
294.27960	24.7
432.58603	24.8
499.68973	26.2
524.27380	32.3
547.26740	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51197	0.6
55.01874	1.4
57.03436	2.0
59.01381	43.1
61.98827	7.5
69.03448	1.1
70.68311	0.9
71.01381	32.5
72.99287	1.3
73.02946	9.1
78.95918	0.8
81.03444	0.7
82.63092	0.6
83.01394	4.9
85.02959	10.7
87.00886	1.8
88.24134	0.5
88.36330	0.5
89.02445	20.1
93.03456	1.3
95.01384	1.4
97.02946	1.4
99.00892	3.4
101.02444	22.7
108.02200	0.6
111.00865	3.6
111.04557	0.6
113.02455	10.2
119.03497	2.4
121.02974	3.2
125.02473	3.2
127.03962	1.0
129.01907	0.7
131.03496	8.5
133.02982	0.7
135.04498	2.0
143.03490	2.1
149.04565	4.4
151.00342	0.8
155.81503	0.7
159.02991	1.4
161.02428	2.3
161.04512	3.5
164.08727	0.7
170.28247	0.7
173.04483	1.6
179.03548	0.7
191.05617	2.7
233.06711	2.1
269.04437	1.3
285.04071	1.2
286.04730	1.2
287.04959	1.0
293.08762	1.3
347.73392	0.7
355.21219	14.1
371.14862	0.8
384.11758	1.0
385.12070	0.8
487.25491	100.0
488.25958	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	547.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16135	0.6
55.01871	1.4
57.03430	1.8
59.01376	43.1
60.05116	0.5
60.17921	0.5
60.60078	0.5
61.98826	6.5
69.03429	0.9
71.01379	32.6
72.99306	1.5
73.02947	9.7
81.03465	0.7
83.01382	5.8
85.02943	12.0
87.00850	1.1
89.02444	19.5
95.01401	1.6
96.96024	0.8
97.02936	1.8
99.00883	4.4
101.02435	26.9
109.02959	0.8
111.00854	2.9
113.02446	11.1
115.03974	1.1
119.03470	2.4
121.02946	1.7
125.02458	2.5
131.03499	7.4
133.02934	0.9
135.04483	1.5
137.02405	0.7
143.03499	1.6
148.70581	0.7
149.04536	4.7
151.00369	2.9
152.00665	0.6
159.03017	1.2
161.02434	1.2
161.04509	4.2
164.01126	0.7
173.04562	1.3
191.05649	3.4
199.04039	0.9
200.04381	0.7
212.08812	0.6
221.39859	0.6
233.06599	1.8
255.02969	0.7
269.04495	2.0
277.90564	0.6
285.03976	1.8
286.04559	1.4
287.04926	1.6
288.05292	1.1
293.08740	1.4
334.32291	0.8
355.21259	15.0
383.11319	1.2
384.11285	0.7
385.11972	2.2
450.10559	1.8
487.25449	100.0
488.25674	3.1
542.17859	0.8
547.27875	1.8
572.11475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	18.7
61.98809	1.6
65.75044	0.8
68.99819	5.0
69.00149	1.0
69.03460	5.3
71.01378	9.8
71.94447	1.0
72.99310	36.6
73.02934	1.4
73.11787	0.7
77.53555	0.9
81.03475	1.3
85.02954	1.8
87.00883	1.8
89.02441	11.3
92.05056	1.8
93.03463	2.0
95.01408	2.4
96.96011	1.6
97.02946	10.9
99.00882	3.5
101.02432	6.5
102.15878	0.9
111.00912	1.0
113.02438	3.8
119.03495	2.6
119.05066	1.0
123.04543	4.0
130.06622	1.4
131.03574	1.0
133.02977	6.9
135.03566	0.8
135.04527	4.6
144.04533	6.0
146.06104	1.1
149.04431	1.1
149.06097	2.8
155.03510	4.6
158.06110	15.1
160.04036	1.3
161.02449	20.3
161.04457	1.1
162.02808	2.1
166.06642	0.9
168.09201	0.9
170.06042	0.8
173.04674	0.9
179.03522	2.1
179.05569	3.4
184.07625	2.0
191.05624	1.8
194.06091	1.2
197.04826	2.0
198.05507	2.1
198.09177	2.8
202.05096	8.7
208.07672	3.9
210.05569	2.3
210.09227	3.1
221.04674	0.9
224.07266	0.8
225.04286	3.2
226.05127	5.8
226.08578	4.6
236.07166	7.4
242.08278	3.9
251.05562	1.0
254.08182	17.8
270.07593	1.4
281.06775	1.2
298.07150	4.7
316.08273	37.6
317.08545	1.5
323.07690	1.4
325.67630	0.9
341.08521	1.1
368.11441	1.9
386.12488	4.9
530.21045	2.2
548.17700	100.0
549.16650	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	548.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.0
59.01382	41.8
60.54303	1.6
61.98845	2.3
62.06271	1.5
69.03452	4.3
71.01012	3.2
71.01382	44.6
72.01707	1.7
73.02943	17.4
74.03285	1.7
75.00885	2.4
81.03486	1.7
83.01376	5.2
83.17405	1.6
84.95107	3.8
85.02959	15.2
87.00877	1.8
89.02450	25.7
90.02767	2.0
93.03448	3.6
95.01392	2.8
96.95987	3.2
97.02976	2.7
99.00885	11.0
101.02449	35.3
111.00922	1.8
113.02465	11.9
116.92853	8.1
119.03513	4.0
125.02416	3.8
131.03522	3.8
133.02957	6.1
135.04547	10.0
146.58052	1.8
149.04564	9.5
150.04869	2.6
153.82425	1.7
155.03493	3.0
159.03009	2.0
161.02451	13.4
161.04546	9.6
162.02747	4.3
173.04547	6.3
177.05525	2.0
179.03436	8.9
180.03807	4.2
191.05666	10.9
221.04669	1.8
222.04926	1.9
233.06529	2.4
251.05634	2.6
276.87936	1.7
281.06650	4.7
282.06979	2.4
293.08719	1.9
341.08600	2.7
342.08871	2.0
371.09207	1.8
373.22330	14.1
378.94330	1.7
387.14404	3.0
481.84012	1.8
503.25333	2.3
505.26556	100.0
506.26672	4.0
548.14825	2.6
548.25470	3.2
549.23932	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	548.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09652	0.5
55.01871	1.5
57.03442	1.9
58.00576	0.6
59.01074	0.6
59.01381	27.5
69.25465	2.1
71.01381	29.2
72.19063	0.5
72.99309	0.6
73.02947	8.1
78.62389	0.6
83.01387	3.8
85.02951	9.8
87.00878	1.5
89.02445	18.1
95.01398	0.9
97.02942	1.3
99.00862	2.5
101.02445	21.7
108.06192	0.5
111.00871	2.5
113.02455	8.7
116.92868	3.2
119.03490	0.9
125.02464	3.0
131.03513	8.1
143.03470	1.5
149.04559	5.0
159.02992	1.2
161.02457	1.7
161.04559	5.5
171.27240	0.5
191.05586	1.4
211.17105	0.5
233.06647	2.0
250.36012	0.6
293.08875	1.5
355.21350	0.9
373.22275	11.2
373.86975	0.6
411.73224	0.6
476.78421	0.6
503.24860	0.7
505.26550	100.0
506.26965	3.4
548.27942	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14409	0.3
59.01377	1.2
61.98837	1.4
63.49360	0.3
69.52754	1.2
71.14807	0.3
77.03969	1.5
78.95901	0.3
88.66807	0.3
95.95577	0.3
96.95974	0.3
121.02954	100.0
122.03303	0.8
147.04494	0.5
165.01924	49.7
180.05763	0.4
181.06557	2.7
197.06062	2.3
199.07530	0.5
207.04485	1.1
207.08119	0.4
225.05627	1.6
257.09671	0.9
313.07224	1.1
357.06161	0.7
383.07822	0.5
387.57864	0.3
389.16483	0.6
407.17435	0.5
411.33875	0.3
417.09744	1.6
423.50034	0.3
505.11426	1.8
549.10364	32.5
550.10529	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22842	0.7
59.01375	8.7
61.43629	0.7
69.68332	1.2
69.68697	1.5
71.01380	5.0
72.99281	1.1
76.79588	0.7
82.71439	0.6
82.95415	3.6
84.93868	3.0
84.95136	2.5
85.02956	1.1
87.00869	1.6
89.02454	2.5
90.34318	0.6
96.96006	17.0
98.95593	12.4
98.96431	2.0
99.00897	1.2
99.92591	30.6
100.93366	22.7
101.02436	2.3
111.00867	0.8
113.02432	1.2
114.94943	1.6
115.92073	16.5
116.92866	100.0
117.92886	2.2
125.94148	1.0
126.94939	3.9
133.02986	1.6
135.04504	1.9
141.93651	1.8
142.94411	1.9
143.95230	0.7
147.98499	0.8
149.04500	0.8
154.94437	2.5
155.03508	1.6
158.93916	1.0
161.02426	2.7
161.04564	0.9
167.95198	2.2
168.95953	1.2
169.93129	1.1
179.03554	1.0
182.97575	1.0
184.95372	0.8
187.94110	1.0
191.05647	1.3
197.96202	0.8
198.97018	0.9
211.93886	0.8
226.96516	0.9
242.95917	0.9
244.97577	2.1
247.04237	0.7
259.96262	1.3
263.07220	0.9
265.30295	0.8
291.06848	1.4
292.07846	1.5
307.06406	1.3
309.07928	2.0
311.05737	1.2
335.05798	1.5
336.06729	3.5
337.07425	0.8
352.06131	1.9
353.06903	4.2
369.06375	1.1
425.12863	1.1
429.12802	0.8
469.11639	9.4
487.13098	1.3
513.10522	7.6
531.11316	1.5
549.12683	49.2
550.12958	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	549.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.5
59.74114	0.3
61.98829	0.5
64.49026	0.3
67.01881	0.7
68.99814	4.0
69.03455	3.4
70.88541	0.6
71.01381	5.0
72.99302	0.3
73.02941	1.5
83.01387	0.6
85.02944	1.4
87.00864	1.0
89.02447	4.2
93.03458	0.9
95.01387	8.2
95.05034	0.4
97.02967	0.4
99.00908	0.8
101.02445	10.5
105.03465	1.0
111.00856	0.4
113.02444	2.0
115.01849	0.3
115.92075	1.1
116.92840	1.0
117.03472	1.0
119.03510	1.0
119.05031	1.0
121.02970	1.8
121.06545	0.5
123.04522	12.6
124.04900	0.5
125.02459	0.4
126.02592	0.3
132.02191	2.1
133.02956	31.4
134.03804	1.6
135.04521	15.5
137.02438	0.9
137.09735	0.7
145.02945	2.1
147.04532	0.5
149.02412	0.9
149.04573	1.0
149.06087	1.3
151.00375	0.8
155.02206	0.8
155.03505	23.3
161.02443	100.0
162.02760	4.3
163.02847	0.8
163.04015	1.2
163.11197	0.4
173.04564	0.7
175.03983	0.7
177.05515	2.3
178.02682	0.4
179.03497	13.2
180.03918	0.4
181.05095	1.1
191.05650	1.7
193.05043	0.6
205.05026	1.1
216.74049	0.4
221.04517	3.9
225.05727	0.4
225.07556	1.7
235.06091	0.7
251.05571	2.7
265.07257	0.8
280.06049	0.4
281.06619	4.9
283.13382	0.4
285.04037	0.4
294.38464	0.3
294.67599	0.4
307.08282	0.4
323.07684	6.1
325.14441	0.8
341.08752	1.1
343.15424	1.4
369.13174	0.7
387.16699	3.0
393.11908	7.5
409.35287	0.3
417.25125	0.5
447.13138	1.1
517.13672	1.1
531.21381	1.0
546.35358	0.3
549.16168	38.4
549.23407	13.9
549.33136	0.8
550.16248	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	549.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.3
63.65773	0.3
67.01901	0.6
67.21180	0.3
68.99815	4.3
69.03451	4.0
69.12083	2.0
71.01386	2.7
71.95865	0.3
73.02955	0.4
85.02938	1.1
87.00877	0.3
89.02453	1.2
95.01382	10.4
95.05055	0.5
97.02940	0.8
101.02441	10.9
102.58877	0.3
104.21286	0.3
105.03456	1.0
109.02958	0.5
113.02377	0.7
117.03465	1.0
119.03481	0.3
121.02926	0.8
123.00912	0.4
123.03584	0.6
123.04519	18.0
132.02144	1.6
133.02954	28.8
134.03790	2.0
135.04521	15.5
136.04823	0.5
137.02452	0.5
140.70316	0.3
149.02440	1.2
149.06094	2.0
151.00351	0.6
155.03497	33.8
156.03801	0.5
161.02438	100.0
162.02766	2.0
175.04034	0.6
177.05574	2.7
178.02716	0.3
179.03487	14.4
181.05081	1.0
193.04990	0.7
197.96187	0.4
203.03523	0.7
220.03683	0.4
221.04536	3.8
224.33659	0.3
225.07597	2.1
235.06261	0.6
244.91649	0.4
251.05609	3.5
261.69730	0.4
263.05685	0.4
265.07272	0.5
278.36145	0.3
281.06647	6.2
287.05762	0.4
288.05981	0.3
314.96957	0.3
323.07672	8.0
341.08749	1.6
351.21976	0.4
355.10223	0.5
393.11887	10.8
394.12277	0.5
447.12857	0.9
517.13367	1.5
531.40033	0.3
547.68970	0.3
549.16101	56.1
550.16626	3.5
560.15649	0.4
579.46985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03436	2.2
58.00587	1.6
58.31156	0.8
59.01376	72.0
59.68773	0.6
67.01888	0.8
68.99807	4.6
69.03452	8.4
71.01377	39.4
72.99316	1.5
73.02936	9.5
75.00879	1.4
81.03451	53.1
83.01401	3.2
85.02942	11.4
87.00885	5.1
89.02438	54.6
93.03464	2.1
95.01387	6.4
95.05003	1.0
97.02963	1.7
99.00889	1.5
101.02441	37.4
103.04053	0.6
111.02968	0.6
113.02441	17.5
119.03507	11.8
121.02953	1.5
123.04521	9.6
125.02441	100.0
126.02777	1.1
128.13951	0.7
131.03494	9.7
133.02943	3.5
135.04532	2.5
136.01634	3.5
137.02417	1.5
143.03540	3.4
149.02458	3.0
149.04546	26.5
151.03995	4.5
151.07645	7.8
155.03497	12.4
161.02466	7.0
161.04532	6.2
163.06160	3.4
165.01833	0.9
166.02725	3.0
167.07211	0.8
169.73665	0.7
173.04544	3.3
177.01955	1.1
177.05594	1.9
178.02742	0.8
179.03482	1.7
179.05623	8.4
181.05109	4.0
191.05602	16.4
193.04953	0.9
195.06607	23.4
205.07080	0.8
221.04675	1.2
221.06488	3.4
225.07629	0.8
251.07712	1.9
293.08682	2.1
311.09839	1.4
313.14365	0.7
387.14566	10.5
387.19650	1.5
489.15961	27.5
503.17752	6.0
504.45160	0.7
505.80914	0.8
549.16644	5.1
549.25446	35.7
550.25452	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.9
57.03437	2.0
59.01380	62.0
68.99818	0.9
69.03459	1.9
69.15195	2.4
71.01382	37.3
72.99300	1.0
73.02947	13.1
75.00862	0.6
83.01394	3.3
85.02947	11.2
87.00883	1.6
89.02448	31.3
93.03491	0.7
95.01395	2.5
97.02957	2.9
99.00878	9.6
101.02447	24.8
110.17300	0.6
113.02458	10.6
115.03999	1.3
116.92885	0.6
117.03514	1.2
119.03496	5.8
123.04510	1.6
125.02463	3.6
127.04037	0.9
129.01860	0.6
131.03531	4.0
132.02182	1.7
133.02963	31.9
134.03717	1.9
135.04523	7.3
136.01628	0.7
143.03514	1.7
149.04552	7.4
155.03496	2.5
159.02965	1.7
161.02449	100.0
161.04373	6.1
162.02782	1.5
163.11305	4.6
173.04559	1.2
177.01936	1.3
177.05580	0.8
179.03503	4.5
179.05032	0.6
179.05501	0.5
191.05676	3.2
203.03586	0.9
207.10353	0.9
221.04539	1.1
225.07713	0.9
233.06679	2.3
251.05586	0.6
262.03708	0.6
293.08908	1.6
313.97131	0.6
323.07806	1.2
328.98758	0.6
377.71378	0.5
387.16605	32.0
388.16791	0.9
417.19391	1.0
417.24963	16.4
503.25034	1.2
505.26389	1.1
506.27206	1.3
549.20477	28.4
549.29327	54.8
550.20569	1.7
550.29565	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	549.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.2
59.99990	0.6
69.66124	2.3
71.01382	4.5
73.02924	1.0
82.95406	2.6
85.02946	2.0
87.31568	0.5
89.02447	4.1
93.03423	1.3
93.38270	0.6
98.21826	1.2
101.02428	3.7
113.02444	2.1
119.03492	1.3
121.02949	3.5
122.03751	3.0
123.00880	1.3
133.02991	1.1
135.04520	1.5
136.01671	27.0
137.02498	4.2
147.74657	0.6
151.00394	12.6
151.04015	40.4
152.04738	1.8
159.04501	0.7
160.05281	1.0
161.02454	2.9
161.04555	2.3
162.03214	1.0
163.04106	1.0
163.95113	0.6
166.02719	36.1
167.03426	1.5
175.07677	0.7
177.01927	1.8
177.05588	0.8
179.03491	1.7
181.05061	41.6
190.06310	0.6
191.03687	0.6
191.05630	0.8
192.04372	0.7
193.05194	0.8
203.07091	0.8
204.13759	0.6
205.08832	0.8
207.06537	0.7
281.06799	0.6
329.10129	1.2
341.08527	0.8
357.09796	8.5
372.12106	6.4
387.14474	100.0
388.14835	3.3
507.27911	3.9
549.23743	0.8
567.85168	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.9
59.01380	33.7
61.98827	2.6
65.00327	7.6
68.99813	6.1
69.03471	3.9
71.01379	23.7
73.02944	6.2
73.90874	1.3
75.00862	2.3
83.01409	5.3
85.02944	7.6
86.89685	1.4
87.00891	3.3
89.02444	19.3
93.03437	2.6
95.01385	14.4
97.02946	2.3
99.00891	4.8
101.02441	27.7
107.01395	14.5
108.02199	3.4
109.02950	4.5
113.02441	8.8
116.92843	1.9
117.03474	1.6
119.03498	4.3
119.05087	1.8
121.02937	3.0
123.04514	20.8
125.02438	4.9
131.03532	2.7
132.02135	1.6
133.02963	30.7
134.03729	3.7
135.03487	2.5
135.04523	66.8
136.01657	76.1
136.04863	2.8
137.02443	5.8
143.03477	1.6
149.04526	4.2
149.06073	2.8
151.00378	74.1
151.04004	93.4
155.03510	34.3
160.05309	2.9
161.02441	100.0
161.04599	5.2
162.02789	6.2
165.09123	1.3
167.03658	1.4
173.04547	3.7
175.00374	4.2
175.03955	2.0
175.07654	2.7
177.01918	4.0
177.05563	2.1
179.03491	16.0
180.03839	2.9
191.05655	8.2
203.03441	1.5
217.04919	1.7
221.04485	5.6
225.07680	3.5
251.05611	2.9
252.05936	1.4
253.05907	1.7
263.07922	1.6
269.04437	1.7
271.06149	1.6
273.15198	1.2
281.06732	4.8
282.06989	1.7
283.07254	1.6
285.04025	1.8
287.05597	88.4
288.06061	2.6
311.12885	3.6
331.11819	6.2
341.08542	2.7
342.08939	2.2
343.09103	2.1
387.14389	66.4
388.14792	2.1
393.11884	5.0
417.24942	5.3
511.21802	3.8
513.23193	2.3
548.28461	2.0
549.15302	29.8
549.22723	10.7
549.30011	17.5
568.52563	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	549.1981
Annotation	Eucommin A
Peak:m/z	Relative Intensity
55.01860	0.4
57.03448	0.5
59.01374	5.8
63.34096	0.3
67.01925	0.3
71.01382	6.6
73.02950	2.9
75.00873	2.7
83.01384	2.7
85.02940	3.4
86.71900	0.3
87.00875	0.4
87.57950	0.3
89.02442	2.6
89.11414	0.4
92.02634	0.4
93.03477	0.9
95.01385	1.4
96.96025	0.7
98.21832	0.7
99.00889	0.8
101.02447	4.9
108.02170	1.6
109.02987	0.4
112.40195	0.3
113.02442	2.3
114.03226	0.5
121.02981	0.8
122.03729	1.2
122.75825	0.3
123.04527	1.2
125.02483	0.4
131.03624	0.5
133.02945	2.4
134.03760	1.7
135.04553	1.2
136.01669	82.6
137.02487	2.5
143.03462	0.4
145.06604	0.6
149.04549	1.5
149.06078	1.3
151.04013	100.0
151.92467	0.3
152.04352	1.2
155.03503	1.3
158.03773	0.6
159.03046	0.5
159.04517	1.5
160.05318	2.8
161.02460	8.0
161.04527	3.3
167.03336	0.4
173.04526	0.6
173.06081	0.6
174.07149	0.3
175.04044	0.6
175.07637	2.6
176.04715	0.5
177.01900	0.8
179.03493	1.3
191.05608	4.3
203.03542	0.6
205.05026	0.4
214.02736	1.4
217.05035	1.7
219.06645	2.0
251.09444	0.5
285.04028	0.6
286.04236	0.7
287.04602	0.5
296.10510	0.5
311.09607	0.5
311.12897	4.8
355.11984	0.4
357.13458	3.3
383.30426	0.4
387.14471	59.8
388.14651	1.9
417.24991	0.7
506.27402	1.6
549.15796	0.7
549.22552	1.3
549.30164	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	549.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.5
59.01381	24.0
59.01652	1.2
61.98793	0.9
68.99791	1.0
69.03391	0.6
71.01381	10.2
72.99275	1.1
73.02948	2.5
75.00842	0.7
82.95372	1.8
83.01348	1.3
84.21092	0.4
85.02960	3.4
86.21572	0.4
87.00843	2.1
88.98798	0.8
89.01945	0.7
89.02447	9.3
93.03425	1.4
95.01376	0.5
96.96004	0.9
97.02926	0.8
99.00847	1.6
101.02448	8.8
105.03417	0.7
113.02471	3.3
116.92860	3.1
117.03419	0.6
119.03480	2.1
121.02943	0.7
123.04500	0.9
125.02406	1.5
131.03508	1.1
132.02165	1.3
133.02957	27.0
133.71550	0.5
134.03818	1.1
135.03603	0.8
135.04535	11.2
137.02458	1.0
143.90797	0.5
147.08197	0.4
149.04565	1.3
149.06078	1.4
151.00356	1.7
151.57573	0.5
152.01134	1.3
161.02444	100.0
162.02850	2.1
163.11307	4.9
165.01886	0.6
165.05603	0.5
166.02689	1.2
167.03476	3.1
173.04584	1.1
175.04001	1.7
176.04860	0.6
177.01961	1.5
177.05568	2.0
179.03506	9.8
179.05261	0.7
179.05750	0.8
180.03876	0.8
181.05141	0.6
190.06343	1.5
191.03726	0.6
191.05634	2.3
193.73869	0.5
203.03600	0.5
207.10313	1.2
221.04550	2.9
225.53275	0.4
251.05684	1.9
281.06720	3.2
282.07263	0.7
287.05856	0.8
299.09384	0.5
329.10684	0.6
339.09109	0.8
341.08908	0.8
357.09753	3.6
357.13919	0.8
372.11945	2.8
387.16425	24.3
388.16992	0.8
417.25403	1.7
451.64099	0.5
468.05026	0.5
489.23761	0.8
511.21817	0.6
549.23334	21.6
550.24390	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
59.01382	11.4
59.91328	0.7
69.03448	1.3
71.01385	13.1
71.47540	0.7
73.02945	5.8
83.01386	1.2
85.02948	6.6
87.00883	0.9
89.02447	7.0
91.36326	0.8
95.01383	1.2
99.00890	3.0
99.92585	10.8
101.02448	8.2
106.87164	0.8
113.02445	4.7
113.98689	0.7
116.92865	100.0
117.01942	1.6
117.92881	2.2
119.03482	0.8
121.02946	1.2
122.03761	0.7
131.03535	1.4
133.02965	2.8
135.04515	0.8
136.01662	23.1
137.02470	4.1
140.01137	0.7
143.03488	0.7
147.03003	1.1
149.04561	2.1
151.00394	4.2
151.04004	32.9
152.04770	1.2
161.02484	5.1
161.04564	2.5
166.02719	16.0
167.03622	1.0
177.01965	2.5
179.03453	1.1
181.05077	23.0
191.05617	1.8
193.05136	1.0
195.02980	0.8
239.12372	0.7
256.26984	0.7
288.57111	0.7
301.38177	0.8
313.10712	0.9
324.52896	0.8
329.10541	1.7
339.08566	0.8
351.21762	0.9
356.28403	0.7
357.09830	8.2
371.20898	5.0
372.12195	4.9
387.14517	68.4
388.14972	2.7
407.48373	0.7
409.60263	0.8
426.90121	0.7
503.24997	25.4
506.26062	1.0
549.23621	1.5
549.29791	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.4
57.03447	3.0
58.00591	1.6
59.01377	100.0
60.99294	2.1
61.98829	3.5
67.01882	1.6
68.99804	2.1
69.03469	2.8
71.01380	70.2
72.99297	3.0
73.02943	11.0
75.00887	1.0
83.01382	4.0
84.19484	1.2
85.02950	21.0
87.00866	5.6
88.98799	7.8
89.02444	67.3
90.99277	1.4
93.03469	1.7
95.01384	6.2
96.95982	1.9
97.02954	6.4
99.00876	7.8
99.04513	1.3
101.02438	43.3
111.00883	11.4
113.02453	26.8
115.03983	2.4
116.92847	3.0
119.03500	24.0
121.02925	1.3
123.04530	6.3
125.02440	5.3
131.03508	6.3
131.07144	1.2
133.02902	1.8
135.04532	2.5
136.01624	1.3
139.07645	12.6
143.03513	5.1
149.04556	3.2
150.03200	2.7
151.03976	2.4
154.99907	1.9
155.03477	6.7
159.03001	1.8
161.02441	4.6
161.04564	16.1
162.02750	1.4
163.11272	1.3
165.05580	3.2
166.02649	1.2
173.00893	5.6
173.04561	2.6
179.05618	11.2
181.05000	2.2
189.12865	2.4
191.05591	8.3
207.13896	17.6
221.06685	1.6
225.07704	4.1
233.06651	2.1
293.08621	2.1
357.15402	3.3
369.19144	64.4
387.14734	3.5
387.20178	9.6
441.24533	1.2
459.14886	2.3
463.74268	1.5
489.19775	51.9
490.19852	2.5
513.25549	2.5
549.15430	8.6
549.24622	8.9
550.91986	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	549.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20473	1.1
55.01878	3.0
57.03450	5.0
58.94962	1.0
59.01380	100.0
67.01907	1.3
68.99810	5.8
69.03451	7.9
69.51092	4.2
71.01381	72.1
72.99306	2.2
73.02946	19.0
81.03458	22.2
83.01395	7.2
85.02950	28.5
87.00873	7.0
89.02447	77.6
93.03456	4.8
95.01401	8.2
97.02959	3.7
99.00887	6.8
99.04556	1.5
101.02448	69.3
111.00903	8.3
111.04568	1.8
113.02451	27.3
119.03527	16.3
121.03001	1.2
123.04538	11.3
123.08192	4.0
125.02460	41.1
131.03499	18.8
133.02965	1.3
135.04504	2.1
143.03529	4.8
149.02486	1.7
149.04567	27.0
151.07648	4.1
155.03514	17.3
159.03026	2.7
161.02489	2.3
161.04582	18.3
161.08115	1.7
163.11288	3.7
165.05495	1.3
173.04503	6.4
177.01897	1.9
177.09238	2.1
179.03481	1.7
179.04146	1.6
179.05641	13.1
189.12889	4.5
191.05630	21.0
195.06581	8.6
195.10390	1.3
207.13922	4.5
221.06725	3.0
225.07669	4.3
233.06546	1.8
293.08743	3.2
357.15607	6.0
387.20212	9.7
489.20035	80.0
490.20004	4.6
549.17975	2.8
549.25574	27.4
550.25830	1.5
555.35199	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	549.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
57.03445	2.0
58.00582	1.1
59.01376	100.0
60.01695	0.4
69.03445	0.3
69.38186	1.1
69.38596	0.5
71.01379	54.6
71.32936	0.2
72.01738	0.3
72.99313	1.0
73.02940	4.4
73.03308	0.4
83.01382	3.3
84.02169	0.4
85.02949	11.9
86.40913	0.2
87.00873	2.7
89.02441	59.3
90.02747	0.3
95.01379	3.8
97.02967	0.7
99.00874	1.0
101.02440	32.3
111.00854	0.4
113.02445	23.3
119.03499	26.0
120.03825	0.3
121.06657	0.3
125.02447	0.7
129.01971	0.3
131.03497	2.5
137.09718	1.8
143.03522	4.2
149.04536	1.9
149.09668	0.3
153.09160	0.5
159.02980	0.8
161.04553	9.7
179.05598	12.0
189.12817	1.1
207.13762	0.4
225.14967	1.0
369.19186	1.5
387.20218	6.9
388.20761	0.4
549.25494	50.0
550.26044	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	549.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57196	15.2
59.01364	31.9
61.64153	15.0
61.98816	36.0
63.43670	15.0
70.54189	14.9
75.10998	16.7
89.20251	15.7
90.32584	16.4
98.21835	31.7
203.68263	17.0
209.11758	20.4
253.09097	20.4
254.85596	23.6
277.21649	74.5
305.17368	27.1
323.18530	23.0
326.44904	15.3
391.17953	16.5
455.31543	100.0
455.78659	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2836
Annotation	Plukenetione C
Peak:m/z	Relative Intensity
59.01376	57.0
61.98818	56.2
68.33797	31.2
70.71633	48.7
78.96606	29.0
135.65300	35.0
152.99579	31.7
208.84526	31.4
208.86737	34.5
277.21692	78.7
284.03467	39.6
522.95581	42.6
549.28778	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03542	30.2
54.18597	29.7
55.06396	29.3
65.34335	25.6
70.00870	38.1
70.01218	70.7
76.82715	27.2
78.95906	72.2
94.92493	52.8
98.21964	39.4
112.59772	29.1
115.12054	26.9
152.99635	36.9
209.11760	36.1
267.23312	79.8
277.21704	100.0
305.17575	70.6
476.27859	34.6
492.30933	43.3
494.12155	31.4
549.28326	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64832	0.5
53.89601	0.5
55.01868	2.6
57.03448	2.4
58.00575	0.9
59.01379	82.7
68.99821	0.8
69.03459	2.3
70.41610	0.5
71.01382	60.0
72.99310	1.1
73.02943	20.1
75.00880	2.3
81.03462	1.3
83.01389	5.2
85.02950	17.0
86.00082	0.5
87.00877	2.4
87.04536	1.1
89.02448	49.1
92.81721	0.6
93.03443	0.9
95.01391	4.1
97.02963	2.7
99.00887	15.8
99.04488	1.1
101.02447	41.6
111.00884	0.9
113.02455	18.9
115.04012	2.2
116.92861	0.9
117.03491	1.0
119.03505	6.7
123.04546	1.4
125.02439	7.8
129.01974	0.6
131.03522	6.1
132.02165	1.6
133.02960	29.6
134.03745	1.0
135.04514	7.1
137.02405	0.7
143.03519	2.6
149.04555	15.5
149.05797	0.8
155.03534	2.8
159.02975	2.1
161.02448	100.0
161.04402	10.0
162.02785	2.1
163.11287	3.6
173.04546	1.5
177.01930	0.9
177.05579	0.6
179.03479	4.7
179.05577	1.1
191.05600	6.5
207.10229	0.9
221.04498	0.9
221.06647	0.9
225.07681	0.8
233.06619	4.4
251.07782	1.2
255.19690	1.1
269.13977	0.8
275.07614	0.6
281.06659	1.4
293.08740	3.0
298.28326	0.5
341.08945	0.7
387.16620	27.3
388.16949	1.4
417.24945	30.7
418.25073	1.4
479.24701	0.6
503.24988	3.6
506.26865	2.7
547.20129	0.6
549.20404	22.6
549.29041	96.0
550.20569	2.6
550.29419	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	549.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18046	0.3
55.01884	3.2
57.03452	2.2
58.00588	0.6
59.01378	38.2
64.19121	0.3
66.63750	0.3
69.03457	1.2
69.37248	1.0
71.01381	45.9
72.99315	0.8
73.02945	19.0
75.00880	1.7
75.01250	0.3
81.03452	0.8
83.01385	5.0
83.05051	0.3
84.02158	0.4
85.02949	17.0
86.00069	0.3
87.00850	2.0
87.04522	1.5
89.02445	24.1
95.01397	3.2
97.02937	2.8
97.03432	0.3
98.22704	0.3
99.00885	10.0
99.04552	0.6
101.02442	28.3
106.75491	0.4
108.80711	0.4
111.00871	1.0
113.02451	17.0
115.04028	1.2
117.03469	0.3
119.03487	3.4
125.02448	3.6
127.03999	0.5
129.01949	0.8
131.03514	3.5
132.02202	0.7
133.02959	15.1
134.03748	0.6
135.04536	4.0
136.09680	0.4
137.02463	0.3
143.03496	2.2
149.04552	5.1
159.03027	1.7
161.02449	51.7
161.04471	12.3
162.02802	1.0
177.39638	0.3
179.03484	3.3
179.05542	0.8
186.90260	0.3
189.12802	0.6
191.05656	2.0
221.04468	0.5
233.06665	2.1
255.19693	1.0
293.08820	1.5
349.43781	0.4
417.24936	23.8
418.25134	0.8
503.24619	0.6
506.27228	0.4
549.23126	18.6
549.29285	100.0
550.23273	1.9
550.30554	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	549.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.9
60.25288	0.1
61.98809	0.1
63.83389	0.1
69.03460	0.2
69.08625	0.9
71.01376	1.4
73.02966	0.4
78.95911	0.6
79.95731	2.4
83.01375	0.2
84.95132	0.7
85.00430	0.5
85.02953	0.6
85.16886	0.1
87.00869	0.3
89.02449	1.2
94.98061	0.2
95.97643	0.2
96.96011	100.0
97.95961	0.1
99.72748	0.1
101.02441	1.7
113.02451	0.4
119.03510	0.3
131.03496	0.2
133.02979	0.3
135.04485	0.3
139.25899	0.2
145.01428	0.5
149.04575	0.9
155.03497	0.2
161.02452	0.5
161.04576	0.4
165.01959	0.3
173.04599	0.2
179.05614	0.3
190.42780	0.2
191.05600	0.6
387.20190	0.3
487.22229	0.2
503.24463	0.2
545.67651	0.2
549.17163	0.2
549.25757	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.5
55.22503	0.3
57.03440	1.2
59.01381	12.7
68.99783	0.5
69.03455	0.9
71.01380	21.9
72.99271	0.4
73.02940	11.8
73.73438	0.4
75.00842	0.8
75.80605	0.4
83.01384	3.8
85.02951	11.7
86.00087	0.4
87.00886	1.1
89.02440	5.4
92.48785	0.3
95.01391	1.1
96.18951	0.3
97.02945	1.3
99.00871	5.1
101.02438	21.4
111.00871	0.8
113.02444	10.4
115.04002	0.8
119.03509	0.6
125.02434	1.2
129.01958	0.8
131.03510	0.9
133.02907	0.9
135.04529	0.8
143.03505	1.7
149.04556	0.7
152.15051	0.4
159.02998	2.6
161.02440	0.7
161.04538	6.1
179.03503	0.7
191.05591	2.2
233.06709	0.7
243.50804	0.4
246.52426	0.4
279.75006	0.5
293.08859	0.9
353.08618	1.4
373.70166	0.4
375.23843	10.3
465.16272	0.4
507.28076	100.0
508.28381	5.0
549.22382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02727	1.4
54.64914	1.4
55.01883	3.4
57.03448	4.0
59.01384	43.1
60.01709	1.5
60.09253	1.3
61.98822	3.2
67.01884	1.8
69.30929	7.5
71.01383	45.2
73.02949	18.8
79.24349	1.4
83.01398	6.3
85.02960	17.3
87.00864	3.1
89.02453	19.1
89.25850	1.3
90.02787	1.3
93.03469	5.6
95.01370	3.1
96.96022	1.6
97.02966	2.1
98.21851	3.2
99.00882	5.8
101.02448	36.9
111.00852	2.4
111.04513	1.8
113.02446	13.7
116.92912	1.7
125.02450	2.9
131.03517	4.1
133.02939	11.2
134.03316	3.2
135.04523	13.5
136.04852	2.4
143.03500	2.8
149.04565	1.9
155.03360	1.6
159.02971	2.7
161.02467	31.7
161.04492	10.1
162.02802	14.4
163.11311	2.7
164.11603	1.7
173.04562	19.4
179.03499	15.7
180.03848	2.3
191.05623	10.4
192.80870	1.4
194.05830	1.4
232.00005	1.5
282.07108	2.1
353.08713	14.8
370.13773	1.9
371.21014	2.0
372.21088	1.9
375.23840	35.9
375.28647	1.8
387.16522	5.3
388.16953	8.5
503.25040	28.5
504.25354	22.9
507.28079	100.0
508.28583	5.3
515.12128	5.4
550.24249	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54417	2.2
57.03447	2.3
59.01376	16.8
61.98829	16.9
71.01383	23.6
72.02816	2.2
73.02951	7.0
76.40988	2.2
78.95923	3.9
83.10500	2.4
85.02956	9.0
87.00854	3.0
89.02439	9.6
93.03456	4.0
99.00839	2.8
101.02429	20.8
113.02454	8.8
116.92905	2.4
119.03451	2.6
123.04595	2.6
133.02928	16.7
134.03735	10.1
135.04538	14.7
137.02422	5.3
147.04614	2.3
149.06015	2.6
149.99149	2.3
152.99591	7.6
161.02437	8.6
161.04524	8.2
173.04573	4.9
175.03999	2.8
177.01936	7.6
177.05606	5.5
178.02710	6.3
179.03514	11.8
191.05618	5.9
211.13341	3.3
215.50519	2.4
220.03711	2.7
221.04468	4.0
232.98448	2.3
239.68518	2.2
250.04716	3.5
269.70358	2.5
280.05905	8.9
281.06790	3.3
285.03989	7.2
327.16055	5.0
329.13821	3.2
340.07797	3.1
345.16983	9.5
345.30008	4.9
371.14911	7.0
461.18295	4.5
491.18784	5.9
507.27856	5.0
507.35339	100.0
508.35699	3.2
551.21436	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	551.1772
Annotation	Ladroside
Peak:m/z	Relative Intensity
50.04663	0.5
59.01379	5.0
60.98559	0.4
67.01887	10.5
68.99819	7.9
69.03432	1.1
70.44105	0.9
71.01375	4.3
73.02940	1.1
77.88935	0.5
81.03445	0.4
82.48837	0.5
82.95415	3.3
84.95134	0.4
85.02961	1.4
87.00850	0.5
89.02457	2.7
93.03455	1.8
95.05030	0.6
99.00905	0.4
99.04528	0.4
101.02444	21.5
105.03452	1.0
107.05029	2.6
113.02467	1.9
115.73629	0.4
116.92883	2.0
117.03449	1.8
119.03500	0.8
119.05016	1.2
123.04496	0.5
127.04009	18.5
131.03511	0.5
132.02168	1.7
133.02954	34.6
134.03780	2.2
135.03488	0.6
135.04518	11.5
137.02351	0.4
149.04475	0.7
149.06082	1.0
151.04059	0.5
151.07672	0.8
160.01639	0.8
161.02441	100.0
162.02805	1.5
163.03986	1.6
173.04565	1.2
175.03995	0.9
177.01944	0.7
177.05589	1.0
179.03485	8.4
191.05650	1.3
203.07091	1.3
205.01372	0.7
209.08167	0.6
221.04607	1.3
227.09213	3.5
235.06065	0.5
243.29047	0.5
251.05501	0.8
257.08231	1.7
281.06674	0.9
283.09845	0.7
318.17450	0.5
323.07654	3.5
327.12305	0.5
339.12332	1.7
373.22781	0.7
423.12979	3.9
501.13785	1.3
505.26480	8.7
519.14862	0.6
551.17664	76.0
552.18103	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	551.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.4
59.01379	7.0
59.66246	0.3
60.01714	0.2
61.98837	0.5
68.99818	1.5
69.03462	3.2
69.60241	0.9
69.60603	0.4
71.01381	4.5
72.99320	0.3
73.02956	0.9
75.00877	0.7
81.03468	0.6
81.83963	0.2
82.95410	0.3
83.01406	0.5
83.18057	0.3
85.02956	1.8
87.00900	0.8
88.98808	0.7
89.02444	3.8
89.03965	2.3
93.03484	0.8
94.09108	0.3
95.01382	0.4
95.05029	0.3
97.02927	0.6
98.95633	0.3
99.00904	0.6
101.02445	4.0
106.04251	0.4
107.05076	0.3
108.02196	0.4
109.02956	0.3
113.02442	1.8
114.11032	0.2
117.03474	7.6
119.03502	1.0
119.05033	0.5
120.55049	0.3
121.02955	0.6
121.06604	0.7
125.02415	1.5
127.03999	0.4
131.03453	0.3
132.02187	1.1
133.02945	1.7
133.06613	1.2
134.03745	83.5
135.04567	2.1
137.02464	1.1
143.03481	0.4
149.04749	0.3
149.06076	7.1
151.04085	0.3
151.07614	1.4
160.01657	4.1
161.02443	5.1
161.04556	0.5
165.77702	0.2
172.05324	0.8
173.04565	1.1
173.05963	0.3
175.03987	4.3
176.04753	0.6
177.01938	0.4
177.05562	0.9
178.02721	3.3
179.03529	2.7
179.05618	0.9
187.04044	0.4
191.05634	2.0
191.07054	0.3
193.05061	100.0
194.05637	2.6
195.06606	0.8
209.08220	3.0
227.03377	0.4
227.09113	0.3
228.04214	0.4
231.05138	0.8
283.13370	1.9
285.04004	0.5
301.14438	0.6
311.12839	0.3
327.12534	0.5
327.16138	0.4
329.13754	0.6
345.13361	0.7
345.17023	1.0
353.14276	0.3
357.11972	0.4
371.15002	1.9
375.12814	2.1
375.16742	0.4
419.26102	0.9
431.16821	0.5
441.13422	0.3
461.17761	0.4
491.18979	0.7
491.25519	0.4
505.26309	0.6
543.02838	0.3
550.29510	0.5
551.17627	1.0
551.30048	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.3
68.99820	5.2
69.03457	4.7
71.01374	4.2
73.02963	0.7
81.03462	2.3
82.95441	1.3
83.01383	0.7
85.02954	1.6
89.02446	3.0
91.01900	0.6
93.03481	1.0
95.01398	0.5
98.21806	1.0
99.00907	0.8
101.02446	13.5
101.04974	0.5
101.24173	0.4
107.05042	1.3
108.02212	1.4
109.02965	1.0
109.97697	0.5
113.02436	1.2
116.92868	0.5
121.06649	0.4
123.04570	0.5
125.02449	4.7
125.98088	0.4
133.02954	3.4
134.03764	5.6
135.04529	100.0
136.04854	1.3
137.02405	1.0
152.01207	0.7
153.01907	0.5
155.03496	0.8
157.05051	1.4
161.02444	13.4
162.02835	1.5
168.10480	0.5
172.05276	2.7
173.04579	0.7
173.06059	10.8
174.03275	1.0
175.04036	0.5
176.04674	0.6
177.05702	0.6
179.03497	95.0
180.03813	1.4
183.04532	0.5
187.04042	0.8
191.05627	1.1
193.04974	1.1
195.06573	2.7
197.05998	0.5
201.05733	0.7
217.05058	13.4
227.03484	0.6
227.09209	1.5
243.06624	5.0
281.15491	0.5
283.13434	3.6
285.03992	0.8
287.06039	0.7
287.09271	4.2
301.14423	1.9
309.14987	3.7
319.08163	2.6
327.12411	0.6
327.15723	2.1
329.13962	4.4
341.08859	0.5
345.17117	1.7
353.13947	1.0
353.23291	1.0
357.09488	2.2
371.11166	1.5
371.15121	8.7
382.80292	0.5
387.14459	0.7
389.12299	5.7
407.16425	0.4
413.16135	2.2
443.17148	1.4
461.17996	1.3
473.18024	2.6
491.19052	2.0
533.20428	1.6
551.17603	61.0
552.17749	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16724	0.4
55.01867	0.7
57.03437	0.5
57.79309	0.4
59.01379	30.6
60.01704	0.9
61.98826	0.8
67.01912	0.9
68.99822	3.2
69.03463	7.8
71.01382	16.9
72.01695	0.8
72.99310	0.6
73.02948	6.2
74.03239	0.6
75.00851	1.0
77.52616	0.4
81.03462	1.6
83.01386	1.4
83.05047	0.5
85.02951	4.1
87.00867	0.6
88.98788	0.5
89.02448	21.7
90.02780	0.7
91.02831	0.5
93.03448	1.2
95.01406	0.5
95.05064	0.5
96.96049	0.4
97.02941	1.0
98.21883	1.2
99.00881	9.8
101.02449	17.8
102.02797	0.9
103.02864	0.6
105.03448	0.8
109.02970	1.1
110.67694	0.5
113.02449	4.9
117.03492	0.7
119.03490	2.7
119.84908	0.5
121.02953	0.7
123.04514	1.1
125.02464	2.0
127.03981	1.4
131.03528	2.6
132.02151	1.3
133.02963	32.0
134.03784	2.2
135.04535	16.9
137.02444	0.5
139.04010	1.7
143.03510	0.6
149.04568	5.7
149.06108	1.4
150.04921	0.6
151.05040	0.6
155.03569	0.6
157.05063	6.6
159.04558	0.6
160.01657	0.4
161.02451	100.0
162.02806	2.6
173.04567	1.3
175.04065	0.6
177.02002	0.4
177.05556	3.9
178.02673	0.4
179.03503	14.9
179.05199	0.8
179.05736	0.6
191.05618	5.9
193.04893	0.6
202.72391	0.4
203.03569	0.5
215.07092	0.4
221.04634	4.1
227.09218	0.7
251.05609	3.0
281.06656	6.2
313.14383	0.5
323.07739	4.7
341.08783	2.6
341.12595	0.5
389.18280	5.9
393.11862	9.8
418.25394	1.9
419.25690	0.9
491.24838	0.8
505.26208	1.0
519.15100	2.5
533.26074	0.6
546.24286	0.5
550.29578	3.5
551.17865	44.2
551.27197	35.8
552.17975	1.6
552.26526	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.6
59.01113	0.8
59.01377	11.6
60.99278	0.8
61.92429	0.6
61.98827	4.0
67.01884	4.3
68.96928	0.7
68.99812	19.0
69.03440	0.8
71.01376	8.4
73.02953	3.5
75.00851	1.3
81.03454	1.4
83.01382	1.0
85.02953	3.8
87.00871	2.2
88.98792	1.3
89.02438	5.1
93.03461	1.4
95.01411	0.9
96.96014	1.1
97.02924	0.9
98.22688	1.3
99.00852	1.7
101.02439	83.5
105.03468	0.8
107.05030	12.7
109.02915	1.3
111.04481	0.8
113.02467	3.0
117.03433	1.2
119.03488	0.9
119.05050	0.8
121.02952	1.5
123.04528	1.2
125.02408	0.8
127.03130	1.4
127.04012	19.5
131.03433	0.7
132.02101	1.5
133.02943	19.3
133.06581	3.0
134.03763	6.6
135.04521	76.8
136.01665	13.8
136.04863	1.1
137.01938	3.9
138.02066	1.4
145.02885	1.3
149.04539	1.0
149.06046	1.1
151.03995	12.9
151.07613	2.1
152.04324	5.3
153.04564	3.0
153.05597	0.8
153.09288	0.7
155.03505	1.0
160.01604	1.3
161.02440	70.0
162.02780	1.8
163.03996	1.1
172.05241	1.3
173.04489	2.7
173.05916	0.9
175.03989	1.1
177.01880	1.3
177.05510	2.7
178.02748	0.9
179.03491	43.8
180.03838	0.8
191.05605	3.6
193.05028	2.5
194.05772	0.8
195.06618	14.7
209.08127	2.5
209.11684	0.8
213.70787	0.7
221.04492	2.1
227.03477	1.2
227.09232	41.6
228.04213	0.8
228.09615	0.9
243.10190	2.5
251.05571	1.8
281.06622	3.2
283.13351	5.3
284.03232	2.7
285.03964	4.0
301.14438	2.2
309.14975	1.2
311.12576	1.0
323.37881	0.7
327.12350	1.6
327.16000	1.4
329.10156	2.0
329.13730	1.3
341.08722	2.6
345.13129	1.8
345.17044	2.9
353.13687	1.0
357.09750	6.4
371.14984	3.7
373.21796	1.1
386.71515	0.8
387.14539	5.2
388.14810	3.7
389.11499	10.3
389.26340	0.7
405.15768	1.1
461.17838	1.4
491.18985	2.1
491.25302	0.9
505.26413	4.2
519.14899	2.5
551.17554	100.0
551.24359	5.2
552.10632	1.3
552.12756	0.8
552.18500	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	551.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07236	0.6
55.01870	1.6
57.03444	6.4
59.01379	7.0
63.01897	0.6
69.53876	1.7
69.54259	1.3
71.01392	3.8
72.99310	3.4
73.02951	6.0
83.01381	2.0
84.02201	0.8
85.02951	21.5
87.00880	11.5
89.02434	1.9
98.21918	1.6
99.00877	4.0
101.02451	2.3
111.00864	2.8
113.02428	3.8
114.02775	1.1
114.67463	0.7
115.04015	1.3
119.03463	1.1
125.58178	0.8
129.01944	16.9
131.03499	3.1
141.01949	2.1
147.02992	0.9
157.01489	1.2
159.03036	5.3
175.02504	1.7
191.02005	2.0
207.05069	3.9
208.05417	1.7
209.06674	100.0
210.06662	1.0
414.99164	1.0
529.20062	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93164	0.4
51.65191	0.5
54.53791	0.4
57.03495	0.5
57.05033	0.4
57.07354	0.4
59.01124	2.7
59.01453	23.1
60.01786	0.5
60.99384	0.4
61.25558	0.4
67.01964	1.1
68.99889	1.5
69.03535	4.1
71.01459	10.2
73.03027	3.1
79.29192	0.4
81.03527	0.5
83.01458	0.7
84.95171	0.7
85.02949	3.3
87.00961	1.3
88.98857	0.8
89.02438	9.0
90.02839	0.8
91.02950	0.6
93.03539	1.2
95.01434	1.0
96.96056	0.9
97.02988	1.0
98.22700	0.9
99.00877	2.9
99.04532	0.5
100.68559	0.4
101.02448	13.2
102.02880	0.7
109.03002	0.9
113.02434	3.3
117.03513	0.6
119.03549	1.5
120.99672	0.9
121.03011	0.5
123.04531	0.8
125.02484	1.3
125.03997	0.4
127.03997	3.0
127.04820	0.4
128.90240	0.4
131.03552	0.7
132.02214	1.6
133.02956	31.8
133.07686	0.4
134.03780	2.2
135.04526	19.7
136.04861	0.6
137.02477	0.6
139.04063	0.9
148.05383	0.4
149.04706	2.2
149.05991	2.7
150.04855	0.6
151.04997	0.6
155.03386	0.6
157.05095	2.8
160.01633	0.7
161.02440	100.0
162.02779	3.1
173.04567	1.1
175.03983	0.6
176.04749	0.4
177.01936	1.0
177.05577	4.2
179.03502	16.0
187.03932	0.7
191.05589	5.4
203.03609	0.5
221.04544	7.2
227.09207	0.7
233.04399	0.8
235.72319	0.4
251.05600	8.3
281.06665	12.3
323.07651	2.9
341.08798	4.4
341.12921	0.8
345.17053	0.6
389.18146	21.6
389.22711	0.9
390.17862	0.6
393.11816	4.4
423.12064	0.5
491.18216	0.8
505.25235	2.2
505.46033	0.5
513.68744	0.5
519.13428	1.5
551.16992	21.2
551.37762	0.8
552.16943	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	551.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96986	1.3
52.46686	1.4
59.01377	21.6
61.98816	2.2
68.99828	3.4
69.03442	1.6
69.23865	2.7
69.24222	7.3
71.01382	13.8
73.02947	3.4
80.45248	1.3
85.02961	3.8
88.41042	1.2
89.02444	14.2
93.03456	10.6
95.01395	2.1
95.05090	1.4
98.22611	3.1
99.00924	2.0
101.02450	11.5
101.37083	1.5
113.02459	4.9
119.03500	3.0
121.02967	20.4
121.03758	2.4
125.02473	2.8
132.42400	1.2
133.02968	3.9
134.03769	1.6
135.04530	24.3
137.02486	7.8
149.04549	3.0
153.12804	4.0
159.04504	2.6
159.51340	1.2
160.05313	5.7
161.02451	15.9
161.04558	2.5
162.02893	2.4
172.05309	24.1
173.04533	1.4
173.06013	5.1
177.01996	2.0
179.03499	23.8
179.05257	2.1
179.05566	1.9
185.06093	8.8
186.06860	4.0
187.04010	6.5
191.05580	3.2
194.05890	3.4
197.06046	2.6
197.11812	8.3
199.04034	4.8
199.07860	1.4
200.04817	2.5
201.05626	6.7
209.08179	8.2
211.03886	1.6
216.54092	1.3
227.03485	17.2
227.07137	3.9
227.10831	1.7
228.04300	8.3
229.04929	1.3
238.54645	1.4
239.07210	2.1
245.04549	4.7
255.13734	2.1
257.15445	3.4
269.04553	1.4
283.13406	100.0
284.13712	3.7
301.14426	33.6
302.14841	1.8
309.14963	12.1
311.12845	5.7
323.10004	2.7
325.14389	3.8
327.12341	23.6
327.16019	8.0
329.13889	5.5
343.15469	3.5
345.13306	16.5
345.17081	37.7
353.14041	6.6
353.93375	1.4
357.09799	3.9
369.13455	5.1
371.14987	68.2
372.15372	2.9
387.14523	21.4
389.16351	2.4
413.16000	1.7
417.15668	10.2
431.16876	6.9
447.16702	18.8
461.18192	20.4
491.19199	49.2
492.19565	2.5
507.18704	5.7
511.92026	1.6
533.19940	1.6
551.20374	17.1
551.30859	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	551.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31199	0.7
59.01379	100.0
61.98822	1.4
67.37702	0.7
69.03465	1.1
69.14117	4.0
71.01384	2.9
73.02940	1.0
75.00877	3.5
81.03423	0.8
85.02979	1.1
85.80583	0.8
87.00864	1.3
88.98804	5.6
89.02441	4.4
93.03454	2.1
99.00891	1.9
101.02448	2.7
103.00469	9.5
103.01496	80.1
103.04036	1.2
105.03513	0.8
113.02446	1.4
122.12327	0.7
133.02971	7.1
134.03766	5.5
135.04533	5.5
136.01653	1.2
137.02435	2.1
139.60841	0.7
143.22948	0.7
148.05238	0.8
149.02359	1.3
149.06133	1.7
151.03992	1.8
160.01738	1.5
161.02441	4.4
162.03250	0.9
163.03979	0.8
168.41315	0.7
173.04549	1.3
177.01930	3.2
177.05571	2.6
178.02702	3.4
179.03500	5.1
191.05597	1.9
203.82883	0.9
211.13399	1.6
220.03647	0.8
221.04578	1.6
227.39377	0.9
250.04872	1.4
251.05743	1.3
280.05746	1.9
281.06519	1.5
284.03333	1.6
285.04022	5.5
288.51505	0.7
299.16565	1.3
309.15152	0.9
327.16138	2.2
329.14032	2.5
340.07990	1.8
343.15564	1.3
345.17029	4.8
371.14960	5.7
443.16959	1.2
461.18085	1.8
491.19403	4.5
551.22217	3.2
551.33820	1.4
551.64948	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	63.1
64.84322	21.7
69.24497	100.0
69.24918	36.5
72.33976	20.8
76.55798	21.6
77.64146	25.5
96.96011	57.5
98.21748	42.8
126.44511	21.2
146.72581	23.8
182.65050	26.7
211.13290	42.6
215.79739	23.9
279.23233	38.1
285.04169	25.5
289.18103	46.4
307.19037	58.9
321.04837	25.2
339.12518	31.7
348.44299	23.6
447.09201	43.1
535.83972	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83850	8.9
61.98833	100.0
69.78133	15.0
69.78471	32.4
78.95898	20.1
94.08987	9.4
96.96013	17.4
152.99573	14.2
162.95915	10.9
171.10272	18.2
191.14433	13.5
211.13414	76.9
245.04335	16.4
245.19049	18.4
289.18213	80.8
307.19162	94.0
325.20081	18.7
482.26044	12.8
498.41461	11.0
549.95404	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	552.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
56.46891	0.7
59.01378	34.9
60.01715	4.0
61.01803	3.3
61.98829	45.6
71.01380	19.3
71.45213	1.0
72.01705	3.4
72.60252	0.7
73.01818	1.2
73.02940	2.2
82.74474	0.8
83.01399	0.9
85.02951	4.4
86.03320	0.9
87.00864	1.0
89.02441	19.4
90.02773	2.5
91.02876	2.2
95.01367	1.0
101.02441	13.1
102.02776	2.0
103.02858	1.7
111.04514	1.0
113.02438	5.6
114.02731	1.5
115.02854	1.0
119.03499	7.6
120.03860	1.5
121.03899	1.9
125.80421	0.7
132.02148	1.1
133.02943	21.1
135.04524	10.4
136.04883	0.7
137.02409	1.1
138.98213	0.8
143.03563	1.7
149.04556	1.7
161.02438	95.5
161.04591	2.7
162.02759	1.1
162.04892	1.5
165.07677	2.4
174.88988	0.7
179.03503	9.7
179.05629	2.7
181.06058	1.3
191.05617	2.2
221.04451	1.3
281.06628	2.1
389.20752	0.8
390.21341	1.0
452.92566	0.8
489.16107	100.0
490.16641	4.2
551.25958	8.0
552.16797	2.2
552.26227	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	552.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20580	0.5
59.01379	9.4
61.98830	100.0
71.01381	4.7
71.26961	0.7
72.01737	0.6
73.02950	1.0
78.95886	0.7
81.98155	0.5
85.02968	1.4
86.64469	0.4
88.98837	0.5
89.02448	4.9
93.03454	3.7
95.01434	0.6
97.02951	0.4
101.02431	3.6
109.02985	0.6
110.91469	0.5
113.02451	2.0
119.03535	1.5
119.04990	0.7
125.02473	1.0
133.02997	2.2
134.03716	0.7
135.04565	2.2
137.02432	4.7
149.02434	0.9
150.03236	1.2
151.00406	1.3
151.03915	0.5
152.01117	0.6
160.39543	0.5
161.02493	2.2
162.02769	0.5
163.04057	0.9
163.96376	0.4
165.05569	1.1
165.12912	0.5
173.04562	0.8
178.02875	0.5
179.03506	1.8
191.05640	2.2
195.06548	0.6
211.13443	0.7
251.05420	0.5
262.95325	0.5
271.09674	0.7
284.03259	0.9
285.04117	2.2
291.19669	3.6
309.20813	1.5
311.05649	1.1
327.21793	0.7
341.08682	0.5
371.14969	0.7
372.15213	1.5
456.77060	0.4
462.11911	2.4
489.27063	37.3
490.27530	2.0
492.13092	1.3
533.28296	0.5
552.13953	0.7
552.25494	0.8
552.33350	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68645	1.2
53.96646	1.4
59.01376	4.6
61.98821	2.2
69.48978	2.3
69.49380	4.1
70.33829	1.2
78.95901	26.1
80.14351	1.3
82.89941	1.3
86.89623	1.3
91.78085	1.4
119.56254	1.2
135.82306	1.4
141.06688	1.4
152.99544	2.4
158.69574	1.4
168.04344	5.1
218.86226	1.2
224.06883	9.5
242.07994	3.6
253.21802	10.2
277.21722	99.1
278.22101	2.8
359.60397	1.4
394.22519	1.4
478.29050	2.9
502.29379	100.0
503.29953	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	552.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16201	0.4
59.01372	1.1
69.14783	2.2
78.95905	6.6
80.08340	0.4
111.49123	0.4
120.32105	0.4
152.99593	0.8
168.04318	1.4
207.83072	0.4
217.75917	0.4
224.06917	1.3
233.22726	0.4
242.07988	3.9
259.20602	0.6
275.20120	0.4
277.21716	100.0
278.22116	3.1
286.83188	0.4
306.17960	0.4
318.21326	0.4
373.10022	0.4
396.76761	0.5
479.31207	0.4
502.29407	45.4
503.29895	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69051	0.5
52.95316	0.5
61.98830	100.0
71.44907	0.7
78.95911	1.2
83.49394	0.5
86.61948	0.5
91.41518	0.5
104.96349	0.5
152.99612	2.2
209.43118	0.6
210.64534	0.6
246.79230	0.5
255.23294	14.0
256.23569	3.8
270.25565	0.5
295.56979	0.7
335.12683	0.6
346.11957	0.6
384.05640	0.6
483.27454	7.2
484.27637	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	553.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.7
59.30104	0.6
60.99304	16.2
68.45734	0.6
69.19622	3.3
71.01373	2.6
73.02950	0.6
75.00881	1.1
81.83768	0.6
85.02934	0.8
88.98802	100.0
89.02438	2.8
98.54993	0.5
101.02431	2.1
109.02961	1.1
113.02399	1.0
119.03445	0.6
121.02975	1.2
133.02956	3.6
134.03720	0.9
135.04482	5.2
149.00923	0.9
152.01221	0.8
153.01968	1.3
161.02441	10.2
173.04543	1.2
179.03500	4.1
187.07603	0.9
191.05582	1.8
221.04630	1.6
251.05585	1.7
281.06662	1.3
293.09171	1.0
295.10245	1.2
301.07095	0.9
341.08823	1.2
350.24106	0.7
521.16583	2.5
523.19702	1.3
525.19342	0.8
535.18158	0.7
553.19403	2.1
553.33075	1.1
554.22681	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23690	0.8
59.01117	1.3
59.01379	13.6
68.99805	3.4
69.03444	1.8
69.13467	4.1
71.01375	7.1
73.02938	1.3
85.02926	2.0
87.00858	2.1
88.98767	3.2
89.02449	7.8
93.03424	1.6
97.32102	0.8
99.00832	1.7
101.02422	4.3
106.06633	0.9
107.05017	1.6
113.02412	2.3
115.05527	1.4
119.03465	2.0
121.02971	1.7
122.03722	1.5
130.04257	4.4
131.03510	1.0
133.02956	1.3
134.03709	1.4
135.04524	10.1
136.05310	4.3
137.06085	5.7
143.05046	5.2
145.05507	0.9
145.06587	9.9
147.04472	1.9
149.02380	1.9
149.04491	3.1
150.03198	6.0
151.03915	1.3
158.03729	7.3
159.04449	3.1
161.02496	1.6
161.06013	2.6
163.03920	1.5
165.05569	5.1
171.04462	3.4
172.05247	1.9
173.02335	1.3
173.04602	1.4
173.06056	9.8
174.03162	5.9
175.03963	0.9
177.01823	1.1
177.05525	1.0
178.02679	2.0
179.03506	7.9
183.08058	1.2
185.02478	1.1
185.09776	1.0
187.04004	11.7
188.04671	3.3
189.05563	9.1
191.03784	1.2
191.05605	11.2
193.01370	2.2
195.08075	0.9
199.04022	2.0
199.07520	1.0
201.05576	10.5
202.02695	4.3
202.99773	3.1
207.02916	1.4
208.03699	4.7
209.04530	5.1
210.06679	1.6
211.07535	1.1
213.09085	1.6
215.03598	5.2
215.07059	1.0
215.10698	1.6
217.05035	9.3
223.07581	1.9
224.08339	1.2
225.09108	3.7
225.53017	0.9
227.03453	2.0
227.06999	1.1
231.02878	3.1
234.99174	1.1
239.07043	2.4
240.02763	2.1
241.08644	1.8
243.02930	1.4
243.10246	1.1
245.04536	24.1
251.07120	1.8
253.08662	4.3
257.08228	4.1
259.02356	4.6
259.06226	1.5
261.03909	2.8
265.04959	1.0
267.06543	3.0
269.08167	3.9
271.05978	1.2
283.06168	1.8
285.07434	1.4
287.09082	1.1
289.03549	59.9
289.06726	3.2
290.03677	1.6
293.06696	2.0
295.06137	1.1
297.07495	6.8
311.05505	3.2
313.07053	3.6
315.08646	1.1
321.06155	9.1
331.08032	2.4
341.06653	20.3
353.08841	10.1
355.09149	1.3
359.07541	2.7
373.09229	2.0
391.04169	2.4
477.13959	4.8
493.13184	3.4
507.28073	8.1
517.22607	3.1
521.13025	28.6
553.15332	100.0
554.15643	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	553.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	1.1
59.01384	13.0
61.98829	2.6
64.45042	0.7
68.99842	0.6
69.03438	1.8
71.01389	8.7
72.99335	1.1
73.02953	2.9
74.03040	0.7
75.00876	1.5
75.36855	0.7
80.91672	2.4
83.01419	1.0
85.02943	2.4
87.00905	1.4
88.98807	3.0
89.02454	8.5
93.03452	2.8
95.01366	1.0
96.96004	1.9
97.02964	1.5
99.00876	1.5
101.02451	4.3
105.03475	0.7
108.02175	12.6
109.02963	40.5
111.04489	0.8
113.02460	1.9
117.03430	0.7
119.03544	1.2
121.02937	1.3
122.06077	1.0
123.00974	0.9
123.04533	0.8
125.02470	2.3
131.03534	1.4
132.02188	0.7
133.02985	13.4
134.03751	2.0
135.04536	20.7
136.01672	1.8
137.02495	1.0
145.02943	0.8
149.04562	1.2
149.06094	3.0
151.04016	3.8
152.01163	28.1
152.07167	1.4
153.01952	100.0
154.02264	1.6
161.02458	36.5
162.02820	1.2
163.04120	0.8
173.04555	2.3
177.02007	0.9
177.05595	5.9
179.03500	21.6
180.03912	0.7
189.05560	0.8
191.05620	4.0
193.05042	0.9
194.05826	1.0
203.03529	0.8
209.08186	1.0
215.07164	11.3
221.04558	9.4
233.06879	0.8
251.05629	9.7
259.06116	28.5
281.06686	14.2
281.09399	0.7
286.81720	0.6
288.19443	0.6
293.08905	3.1
293.27060	0.8
323.07764	1.3
341.08698	10.9
429.10641	1.4
446.17078	1.5
447.11420	29.8
448.11667	1.2
475.10913	0.9
475.17297	0.9
505.19397	0.8
517.23505	1.7
521.16718	2.1
522.19012	1.8
523.19354	2.1
525.20123	1.0
535.18384	2.4
553.14703	17.8
553.26819	3.8
554.15448	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	1.1
59.01384	13.0
61.98829	2.6
64.45042	0.7
68.99842	0.6
69.03438	1.8
71.01389	8.7
72.99335	1.1
73.02953	2.9
74.03040	0.7
75.00876	1.5
75.36855	0.7
80.91672	2.4
83.01419	1.0
85.02943	2.4
87.00905	1.4
88.98807	3.0
89.02454	8.5
93.03452	2.8
95.01366	1.0
96.96004	1.9
97.02964	1.5
99.00876	1.5
101.02451	4.3
105.03475	0.7
108.02175	12.6
109.02963	40.5
111.04489	0.8
113.02460	1.9
117.03430	0.7
119.03544	1.2
121.02937	1.3
122.06077	1.0
123.00974	0.9
123.04533	0.8
125.02470	2.3
131.03534	1.4
132.02188	0.7
133.02985	13.4
134.03751	2.0
135.04536	20.7
136.01672	1.8
137.02495	1.0
145.02943	0.8
149.04562	1.2
149.06094	3.0
151.04016	3.8
152.01163	28.1
152.07167	1.4
153.01952	100.0
154.02264	1.6
161.02458	36.5
162.02820	1.2
163.04120	0.8
173.04555	2.3
177.02007	0.9
177.05595	5.9
179.03500	21.6
180.03912	0.7
189.05560	0.8
191.05620	4.0
193.05042	0.9
194.05826	1.0
203.03529	0.8
209.08186	1.0
215.07164	11.3
221.04558	9.4
233.06879	0.8
251.05629	9.7
259.06116	28.5
281.06686	14.2
281.09399	0.7
286.81720	0.6
288.19443	0.6
293.08905	3.1
293.27060	0.8
323.07764	1.3
341.08698	10.9
429.10641	1.4
446.17078	1.5
447.11420	29.8
448.11667	1.2
475.10913	0.9
475.17297	0.9
505.19397	0.8
517.23505	1.7
521.16718	2.1
522.19012	1.8
523.19354	2.1
525.20123	1.0
535.18384	2.4
553.14703	17.8
553.26819	3.8
554.15448	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05307	2.2
59.01383	51.6
60.99285	10.4
61.98800	5.5
68.99805	5.4
69.03431	4.7
71.01386	35.4
71.44843	2.6
73.02903	9.0
75.00864	2.9
81.03440	2.6
84.85871	2.3
85.02913	8.1
87.00844	5.0
88.98808	58.4
89.01939	2.5
89.02448	36.8
93.03421	7.6
95.01360	4.8
96.95972	5.3
97.02936	4.5
99.00867	3.4
101.02457	27.7
107.01342	5.0
108.02149	2.5
113.02403	9.5
117.97225	3.3
119.03461	9.4
121.02938	17.4
122.03671	10.2
123.00842	8.9
123.04490	4.0
125.02424	3.4
133.03003	13.0
134.03751	100.0
135.04536	24.3
136.01669	89.4
137.02483	19.3
137.06097	36.9
138.03157	5.6
139.03967	5.8
143.03465	2.9
145.46446	2.8
147.04395	3.1
148.01585	4.3
149.04518	8.1
149.06078	70.4
151.04016	88.4
153.05591	11.4
155.03493	4.0
158.09151	2.3
159.04436	2.6
161.02448	31.0
161.04440	4.4
161.27057	2.6
163.03964	6.6
165.01826	6.4
165.05482	4.2
166.02643	5.8
166.99757	5.5
168.00621	4.2
174.73941	3.0
175.03870	3.7
177.01912	3.5
177.05466	8.2
178.02661	5.6
179.03514	25.1
179.05522	7.0
181.01347	6.4
181.05017	16.6
182.02164	10.8
183.03027	27.4
191.05614	14.7
192.05820	3.2
193.04991	18.2
197.04562	31.6
199.03963	3.3
207.06554	5.0
211.06104	23.9
215.06816	4.0
221.04607	13.0
225.03865	2.5
227.03424	5.2
241.91270	2.6
245.04446	6.2
251.05554	14.2
270.68207	2.3
272.63333	2.4
279.85715	2.4
281.06662	19.5
289.03455	3.6
300.07956	2.3
326.06317	7.7
327.04013	2.4
327.07239	34.8
341.08813	86.1
342.09195	2.5
349.18491	2.5
355.06393	2.6
388.26385	2.7
391.12656	4.0
477.13916	6.6
479.11407	7.5
493.13736	19.0
493.22708	8.7
496.65457	2.4
521.12915	3.9
523.13751	4.7
535.14343	27.9
553.15289	84.8
554.15192	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	553.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	1.1
59.01384	13.0
61.98829	2.6
64.45042	0.7
68.99842	0.6
69.03438	1.8
71.01389	8.7
72.99335	1.1
73.02953	2.9
74.03040	0.7
75.00876	1.5
75.36855	0.7
80.91672	2.4
83.01419	1.0
85.02943	2.4
87.00905	1.4
88.98807	3.0
89.02454	8.5
93.03452	2.8
95.01366	1.0
96.96004	1.9
97.02964	1.5
99.00876	1.5
101.02451	4.3
105.03475	0.7
108.02175	12.6
109.02963	40.5
111.04489	0.8
113.02460	1.9
117.03430	0.7
119.03544	1.2
121.02937	1.3
122.06077	1.0
123.00974	0.9
123.04533	0.8
125.02470	2.3
131.03534	1.4
132.02188	0.7
133.02985	13.4
134.03751	2.0
135.04536	20.7
136.01672	1.8
137.02495	1.0
145.02943	0.8
149.04562	1.2
149.06094	3.0
151.04016	3.8
152.01163	28.1
152.07167	1.4
153.01952	100.0
154.02264	1.6
161.02458	36.5
162.02820	1.2
163.04120	0.8
173.04555	2.3
177.02007	0.9
177.05595	5.9
179.03500	21.6
180.03912	0.7
189.05560	0.8
191.05620	4.0
193.05042	0.9
194.05826	1.0
203.03529	0.8
209.08186	1.0
215.07164	11.3
221.04558	9.4
233.06879	0.8
251.05629	9.7
259.06116	28.5
281.06686	14.2
281.09399	0.7
286.81720	0.6
288.19443	0.6
293.08905	3.1
293.27060	0.8
323.07764	1.3
341.08698	10.9
429.10641	1.4
446.17078	1.5
447.11420	29.8
448.11667	1.2
475.10913	0.9
475.17297	0.9
505.19397	0.8
517.23505	1.7
521.16718	2.1
522.19012	1.8
523.19354	2.1
525.20123	1.0
535.18384	2.4
553.14703	17.8
553.26819	3.8
554.15448	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	85.3
61.98845	11.2
68.99800	3.7
69.33902	11.6
69.34299	5.7
71.01392	49.4
73.02948	21.3
85.02966	4.4
87.00959	4.2
88.60725	4.2
88.98835	6.5
89.02448	100.0
98.22617	8.0
99.00880	46.7
101.02441	38.3
111.00934	4.3
113.02449	12.5
119.03532	8.7
125.02438	4.4
131.03493	17.6
133.02991	4.9
136.73625	3.7
149.04549	54.1
149.05740	4.8
149.06160	3.3
157.36697	4.3
161.02467	18.6
161.04636	6.3
162.02776	7.1
166.06024	4.5
180.50383	4.4
189.83231	3.8
191.05597	24.8
221.06665	6.2
251.07753	6.6
287.09265	5.1
355.10446	4.7
373.12439	6.6
417.84015	4.7
463.18155	48.7
475.12274	3.5
475.18170	88.0
490.16531	21.2
493.19586	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.3
57.03441	4.0
59.01374	89.5
61.98837	1.9
63.96238	3.3
68.99809	1.6
69.03477	2.3
69.59234	3.3
69.59612	3.0
71.01375	75.9
72.99300	3.3
73.02944	18.0
83.01393	7.5
83.43690	1.9
85.02950	19.5
87.00858	5.9
88.98779	2.1
89.02448	60.0
93.03513	1.8
95.01388	4.6
96.96010	7.4
97.02962	4.6
99.00884	6.5
101.02438	61.3
102.22312	1.7
108.02179	2.4
109.02956	2.1
111.00834	2.3
113.02444	27.4
117.97311	10.3
119.03483	24.2
120.70494	1.8
121.02979	2.4
123.04546	3.2
125.02433	5.1
131.03487	7.2
133.02966	5.7
135.04527	8.4
135.98386	3.1
136.01756	1.7
137.06070	2.0
141.01756	1.8
143.03455	9.4
149.04556	4.2
159.02983	3.3
161.02440	16.0
161.04536	23.2
167.07045	2.4
177.05612	3.6
179.03577	7.7
179.05606	63.9
179.07005	3.1
180.06059	2.4
191.05594	7.8
205.22159	2.2
221.04645	3.5
221.06673	13.5
225.11240	3.7
241.50687	1.8
245.04633	3.1
247.10963	2.1
281.06439	4.5
298.03595	6.6
331.17645	7.0
345.15356	3.4
391.12778	2.4
426.40091	2.1
493.22870	100.0
494.23056	3.5
521.12256	2.4
553.14417	12.9
553.22998	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	553.3512
Annotation	Muscanone
Peak:m/z	Relative Intensity
50.03849	1.0
51.89150	0.8
55.11888	1.1
56.42789	0.9
59.01385	1.0
61.98810	2.1
70.73328	0.9
71.01379	0.9
71.43036	1.2
78.95863	1.0
79.95737	1.5
80.96519	7.1
84.09324	0.9
85.85717	0.8
94.98108	1.1
132.15558	0.9
152.98613	1.1
164.98590	1.2
225.00595	1.3
289.17905	1.3
307.19092	2.0
471.34760	100.0
472.34808	4.5
553.26788	11.2
553.34998	66.7
554.35516	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	553.3511
Annotation	Muscanone
Peak:m/z	Relative Intensity
59.01451	0.8
61.98903	1.9
66.69473	0.5
71.01453	0.7
80.96607	5.3
86.06518	0.5
94.98162	0.7
97.18371	0.6
134.97633	0.5
164.98659	1.3
170.36102	0.6
186.69936	0.5
201.11327	1.0
211.13553	0.7
225.00911	2.2
225.11304	0.7
279.23236	4.0
291.19501	0.7
299.87115	0.6
309.20923	0.8
471.34741	100.0
472.35242	5.3
504.31195	0.7
553.26855	7.5
553.34998	60.4
554.28027	0.8
554.35364	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	554.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62628	1.1
54.48437	1.3
59.01379	5.7
60.99302	6.6
61.98835	6.1
62.69436	1.1
63.40793	1.7
69.30337	7.2
70.96671	1.3
71.01386	2.7
72.99335	1.4
73.02943	1.4
84.83846	1.5
88.98803	41.2
89.02473	1.1
89.99131	3.6
93.03442	1.7
94.06625	5.3
101.02457	2.1
106.06612	1.2
107.03770	17.3
108.04510	1.2
120.04520	1.7
120.99444	1.3
121.02968	3.7
122.06128	54.0
124.07664	2.2
133.02971	3.1
134.06142	3.8
135.04523	3.1
136.04970	1.7
152.07173	100.0
153.07550	1.9
161.02490	3.5
162.02805	2.0
179.03519	2.0
191.05544	2.2
213.10379	3.5
222.07925	2.5
225.06808	2.2
225.10287	2.6
237.06673	2.0
237.10294	13.2
238.07370	1.8
246.11336	2.2
251.08223	6.7
252.05589	1.9
252.08969	3.6
253.09789	7.3
263.08261	2.0
264.09085	1.7
265.06207	9.8
265.09808	4.6
266.06937	18.8
267.07367	2.0
277.06137	1.8
278.07007	6.9
279.07639	4.9
280.08618	7.6
281.09314	88.4
293.09329	46.5
294.09973	4.0
313.11893	9.5
354.11713	1.4
394.25537	1.4
402.18024	2.8
418.17752	4.9
419.95966	1.5
446.17215	77.4
447.17551	3.6
478.19827	29.3
490.16205	43.4
490.21597	0.9
491.16138	2.5
522.18817	96.4
523.19257	4.6
524.19476	1.7
554.21942	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	554.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.7
61.98828	26.7
64.76897	0.8
69.20453	4.9
71.01379	2.9
79.65799	0.9
80.91695	1.5
82.95409	3.9
82.99798	0.8
85.02942	1.3
89.02454	1.9
93.03495	1.7
94.06638	4.8
96.96009	1.6
98.21875	1.9
101.02439	2.7
107.03763	13.0
108.02233	1.2
109.02968	3.1
113.02451	1.0
115.95097	0.7
120.04537	1.4
121.02959	1.3
121.05286	2.0
122.06120	55.2
123.04587	0.8
124.07699	1.6
132.04575	3.2
133.02960	2.4
134.03757	1.2
134.06108	3.2
135.04494	4.1
136.01674	1.0
138.05591	0.9
139.02740	1.1
147.44482	0.9
149.06047	0.9
150.05685	1.0
151.04008	1.4
152.01118	1.0
152.07169	100.0
153.01964	8.7
153.07574	1.2
154.02263	3.4
158.05867	0.9
160.03984	1.6
161.02470	7.4
162.02744	2.2
167.05969	0.9
170.09836	1.0
173.04576	1.7
179.03510	2.6
180.03816	1.2
182.05984	0.9
190.05115	3.4
191.05650	4.1
192.06665	4.1
197.04630	1.3
209.07045	0.9
209.10844	1.1
213.10364	6.0
216.07607	1.1
221.04446	1.0
222.08028	2.0
223.08612	1.1
225.06728	2.0
225.10362	1.1
235.08759	1.0
237.06761	2.0
237.10321	20.2
238.07352	2.4
238.09125	1.1
239.08206	1.3
249.10350	1.2
250.07483	0.8
251.05379	0.9
251.08119	3.8
252.05757	1.7
252.09039	3.5
253.09769	7.2
254.10530	1.0
260.06412	1.6
263.08273	1.3
264.09039	1.7
265.06186	6.9
265.09680	1.9
266.06940	15.5
267.07291	0.8
278.06961	5.1
279.07703	3.1
280.08475	5.6
281.09299	57.6
282.09692	1.5
285.03925	1.4
293.09311	27.8
294.10010	1.8
313.11981	9.7
325.11542	1.2
341.11407	1.9
355.13028	3.7
356.13583	1.0
378.18469	1.5
402.18173	5.6
418.17612	3.4
446.17188	37.8
447.11627	1.4
447.17621	1.4
448.11685	1.4
478.19821	60.2
479.19965	3.2
490.16220	19.2
510.22473	16.7
522.18756	74.5
523.19177	4.3
554.21643	20.1
554.29474	1.8
555.21637	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	554.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86230	0.3
59.01370	0.8
61.98829	2.9
69.16045	1.8
78.95907	6.7
95.11184	0.3
137.44827	0.3
152.61906	0.3
152.99562	1.0
168.04344	1.7
213.96490	0.4
224.06941	1.0
230.05487	0.3
242.07999	3.4
261.22153	0.6
263.27084	0.3
277.21646	0.8
279.23282	100.0
280.23666	3.7
285.66400	0.3
487.27084	0.3
504.30963	39.4
505.31238	1.7
554.29901	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	6.8
71.14788	1.6
71.27403	1.0
71.67677	1.2
78.95901	19.7
80.96507	1.3
115.09775	1.2
126.67339	1.1
152.99637	3.4
168.04288	2.9
176.62741	1.1
196.73500	1.2
224.06978	9.0
242.07875	2.2
257.94724	1.2
268.23553	1.1
279.23282	100.0
280.23615	4.5
300.32114	1.2
454.34158	2.5
471.34723	2.4
472.35120	20.6
504.30988	85.1
505.31323	4.1
554.27649	2.1
554.35480	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27757	0.7
61.98829	100.0
69.18370	0.6
69.23144	2.9
71.01383	0.6
71.54440	0.7
78.95901	1.7
80.96514	6.8
94.98083	1.5
148.99190	0.8
152.99644	1.1
164.98631	1.5
190.22746	0.6
225.00827	1.7
231.30116	0.6
245.04230	1.5
253.21698	0.8
312.70328	0.6
481.25772	1.9
484.62820	0.6
519.09259	0.7
555.28418	11.4
555.35980	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41299	0.7
59.01379	23.8
61.98822	2.1
66.72129	0.7
70.02618	0.5
78.95901	19.4
80.96475	0.9
107.15202	0.6
128.20767	0.6
152.48679	0.6
152.99557	3.6
160.71823	0.6
168.04343	2.8
224.06934	6.8
242.07954	1.0
255.23286	100.0
256.23633	2.1
480.30936	75.1
481.31427	2.4
554.27100	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.2
59.01380	41.5
60.01704	3.5
68.99794	4.0
69.03442	2.9
69.19460	13.8
71.01377	41.5
73.02932	13.6
83.01369	7.7
85.02962	18.3
85.03384	3.5
87.00877	8.8
87.96774	2.7
88.98805	16.0
89.02458	26.5
93.03461	7.5
95.01370	5.9
97.02928	3.4
99.00861	6.9
101.02437	38.0
105.31410	3.4
108.08195	4.7
110.64465	3.8
113.02417	14.1
119.03449	7.3
121.02953	5.0
125.02423	5.6
133.02953	8.6
135.04510	20.8
135.06590	4.2
136.04880	3.7
149.06023	4.2
150.03186	12.6
151.03998	7.0
152.07132	7.6
153.05563	3.6
161.02423	28.9
161.04567	7.1
165.05559	14.2
167.03450	3.4
172.05307	15.3
173.04605	19.2
173.05916	4.6
174.04843	6.9
175.05075	7.7
177.05589	3.3
179.03479	19.7
179.05180	3.7
180.03816	5.5
186.06825	4.5
187.03975	5.2
187.07628	100.0
191.05618	14.5
192.05965	3.3
197.04543	12.6
199.03889	4.0
200.04805	4.9
201.05574	9.4
201.22955	3.5
202.06274	10.4
213.09125	6.8
215.07137	19.2
228.04187	4.0
229.08630	11.1
231.06598	54.8
231.10129	21.2
257.08191	27.3
275.09302	24.8
297.11975	5.6
308.75702	3.2
353.08807	9.1
354.09222	6.7
355.09256	10.4
365.43616	3.1
375.23953	4.1
376.24286	4.8
507.28067	17.1
508.28409	63.2
509.28650	30.3
511.18213	79.7
512.18945	3.6
517.12384	10.6
519.24469	7.1
537.19684	3.2
555.08228	4.6
555.21106	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27405	0.7
59.01393	2.2
71.01389	4.5
73.02959	0.8
74.80594	0.7
78.61658	0.7
81.03481	0.8
85.02969	1.5
89.02473	1.0
93.03481	1.9
95.01410	1.1
99.00881	0.7
101.02468	2.5
107.01400	1.0
109.02959	1.3
113.02486	1.8
121.02972	10.0
122.00122	0.9
122.03732	7.2
123.00888	3.8
123.04524	0.7
127.00381	0.8
133.02969	0.8
135.04477	1.0
136.01663	1.1
137.02449	8.1
138.03227	6.0
139.04050	1.5
139.55219	0.7
149.02480	1.4
150.03232	63.7
151.03821	1.6
153.05563	10.0
165.05571	100.0
166.05901	1.8
166.99852	4.5
177.01964	0.7
180.04362	1.5
181.01431	5.1
182.02216	7.9
183.02971	5.4
196.03752	1.8
197.04553	23.2
213.07591	1.0
218.08548	0.6
225.04164	1.2
239.05519	0.7
260.99365	0.8
311.03909	1.5
326.06436	6.3
327.07071	0.9
341.08774	83.6
342.09000	2.7
378.18799	0.7
519.24707	3.5
555.16772	37.6
556.17169	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.0
59.75257	0.2
63.02409	0.5
65.00333	0.3
69.03458	1.3
69.28249	1.4
71.01374	0.8
78.01103	2.1
81.03464	0.5
83.01359	0.4
85.02997	0.3
85.35246	0.3
89.00332	3.4
89.02457	1.8
91.01890	1.9
95.01376	0.5
98.21749	0.3
101.02435	0.5
106.00601	3.9
111.00881	0.6
113.02403	0.4
119.03475	0.5
121.02954	48.6
122.03269	0.6
123.00880	2.9
125.02457	0.4
126.90353	0.3
127.00383	0.8
133.06583	1.8
134.03716	0.4
135.04576	0.3
136.98773	0.3
138.03210	5.8
139.00395	0.5
151.07623	0.7
153.05571	32.0
154.05878	0.3
155.22256	0.3
161.02411	0.5
166.99870	1.7
177.05591	1.0
182.02205	5.7
197.04543	100.0
198.04921	1.8
214.45970	0.3
357.12109	0.6
537.53912	0.3
555.16656	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85214	0.4
57.03458	0.7
59.01384	5.4
60.10511	0.5
63.54396	0.4
69.03451	4.9
69.91882	1.5
71.01385	2.8
83.23151	0.5
85.02934	0.8
87.00890	1.9
89.02454	3.3
95.05025	3.5
99.04536	0.8
101.02465	1.4
107.05035	1.0
107.51900	0.4
113.02442	3.4
119.03522	1.6
121.06618	1.5
123.08164	18.6
125.00967	1.6
125.06095	1.9
125.09721	2.7
126.47099	0.5
126.98914	2.6
126.99683	0.4
136.01620	0.6
138.54929	0.5
143.01970	1.1
151.04013	1.9
151.07645	1.4
167.09406	0.5
168.99916	7.5
169.08707	100.0
170.09030	2.0
179.05560	0.6
191.05666	0.8
191.18315	0.5
195.01518	0.7
195.06723	0.8
213.00131	2.0
213.07680	66.5
214.08072	1.1
230.99930	2.3
231.03552	0.8
273.01212	2.9
273.04544	3.0
303.02234	0.7
311.02325	0.5
341.10736	0.6
375.08441	0.8
375.13010	15.2
376.13312	0.6
397.09659	0.6
495.10245	0.6
505.80078	0.6
555.20911	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87309	0.5
57.03444	1.0
59.01383	11.2
61.98819	2.5
69.03456	6.5
71.01382	6.1
71.05013	0.5
73.02924	1.0
75.16860	0.6
81.03460	2.8
83.05025	0.8
85.02940	1.5
87.00889	0.8
89.02444	6.4
93.03451	2.5
95.01370	0.7
95.05001	0.9
97.06636	0.6
101.02442	4.4
107.06820	0.6
109.02902	0.7
109.10272	0.6
111.04553	1.2
113.02454	2.0
119.03493	2.2
119.04987	0.9
121.02975	0.9
121.06591	1.1
123.04588	0.6
125.02450	3.8
133.02943	2.4
133.06610	3.8
134.03717	3.6
135.04530	6.1
135.08180	1.3
137.02470	3.1
143.03493	0.8
144.98140	0.6
148.05304	1.4
151.07674	2.4
153.09215	100.0
154.09557	1.6
155.03528	1.1
161.02455	5.1
165.05591	1.3
173.04564	1.0
177.01949	0.6
177.05571	2.6
178.02687	1.6
179.03496	3.6
179.05588	1.1
179.07048	0.8
191.05632	1.9
195.06676	1.9
197.08189	36.5
218.38789	0.6
235.06052	0.9
261.15073	0.6
269.04471	0.6
357.11798	2.4
363.47473	0.7
375.12943	3.5
458.14365	7.3
495.28278	0.7
518.74316	0.6
519.15076	1.5
537.19818	0.7
555.20807	26.0
555.29962	1.4
556.21216	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87309	0.5
57.03444	1.0
59.01383	11.2
61.98819	2.5
69.03456	6.5
71.01382	6.1
71.05013	0.5
73.02924	1.0
75.16860	0.6
81.03460	2.8
83.05025	0.8
85.02940	1.5
87.00889	0.8
89.02444	6.4
93.03451	2.5
95.01370	0.7
95.05001	0.9
97.06636	0.6
101.02442	4.4
107.06820	0.6
109.02902	0.7
109.10272	0.6
111.04553	1.2
113.02454	2.0
119.03493	2.2
119.04987	0.9
121.02975	0.9
121.06591	1.1
123.04588	0.6
125.02450	3.8
133.02943	2.4
133.06610	3.8
134.03717	3.6
135.04530	6.1
135.08180	1.3
137.02470	3.1
143.03493	0.8
144.98140	0.6
148.05304	1.4
151.07674	2.4
153.09215	100.0
154.09557	1.6
155.03528	1.1
161.02455	5.1
165.05591	1.3
173.04564	1.0
177.01949	0.6
177.05571	2.6
178.02687	1.6
179.03496	3.6
179.05588	1.1
179.07048	0.8
191.05632	1.9
195.06676	1.9
197.08189	36.5
218.38789	0.6
235.06052	0.9
261.15073	0.6
269.04471	0.6
357.11798	2.4
363.47473	0.7
375.12943	3.5
458.14365	7.3
495.28278	0.7
518.74316	0.6
519.15076	1.5
537.19818	0.7
555.20807	26.0
555.29962	1.4
556.21216	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90092	0.6
59.01373	7.6
60.14218	0.6
61.98843	1.3
69.03458	3.6
71.01387	5.8
71.47229	0.7
73.02956	0.6
77.58055	0.5
82.95426	0.8
83.01421	0.6
85.02961	0.8
87.00847	0.5
88.98815	0.6
89.02441	4.5
95.01404	0.8
95.05018	1.4
96.96021	1.0
99.00899	0.7
101.02422	3.1
107.05030	1.2
108.02184	2.0
111.00909	0.5
113.02470	3.4
119.03519	1.2
121.02995	0.5
122.02438	0.8
122.03724	1.7
133.02943	0.8
134.03746	22.2
135.04492	1.7
136.01660	75.3
138.65482	0.7
149.02376	0.9
149.06073	11.0
150.03227	0.9
151.04007	100.0
152.04799	6.8
161.04576	0.6
164.37694	0.6
165.05528	0.9
167.07120	6.3
169.08743	1.3
179.05632	1.3
180.04260	0.6
185.06122	0.6
191.05574	0.9
195.04539	0.6
195.06712	1.3
197.06184	0.7
213.05559	3.8
213.07706	3.0
223.03970	1.0
224.04803	1.1
241.05048	30.9
242.05420	1.0
256.07410	23.5
257.07544	0.8
271.09738	42.8
272.10092	1.0
288.42236	0.6
319.11813	5.8
375.12903	10.4
393.15536	0.8
495.20828	0.6
507.19055	1.3
555.20831	37.5
556.20001	2.0
565.63397	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95807	1.1
59.01371	6.4
65.46425	0.9
69.15170	3.2
69.15577	2.7
71.01369	6.6
71.74083	0.9
73.02932	1.6
85.02965	1.1
89.02432	5.5
93.03438	1.2
95.01374	1.6
96.96021	1.3
98.22641	3.1
99.00861	1.4
101.02434	4.3
102.34614	1.0
113.02487	2.2
121.02959	9.4
122.03766	6.0
123.00890	3.6
123.04496	1.3
131.03546	1.1
131.39966	1.0
136.01701	1.0
136.98828	1.1
137.02425	8.4
138.03242	4.4
149.02455	1.8
150.03227	55.2
151.03738	1.0
153.05559	10.8
155.03484	1.5
165.05565	100.0
166.05893	2.9
166.99873	3.1
180.04353	1.0
181.01373	6.1
182.02167	7.6
183.02995	5.1
185.48331	0.9
189.12741	1.4
193.44792	1.0
195.06642	1.2
196.03781	2.1
197.02797	1.8
197.04544	23.9
207.13965	1.2
213.07625	1.8
225.04102	1.4
326.06445	5.5
327.07245	1.6
341.08765	76.4
342.09058	2.7
517.22894	5.8
519.24457	16.1
555.16992	27.8
555.22809	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	555.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77642	0.6
59.01379	6.2
61.98827	4.0
69.03455	3.6
71.01391	3.3
73.02956	0.9
79.18219	0.7
82.69165	0.8
82.70576	0.7
85.02933	2.4
87.00877	0.7
89.02451	3.3
91.60906	0.7
93.03468	3.8
95.01380	1.0
95.05030	2.0
96.96024	0.9
101.02425	2.8
107.04994	0.9
108.02184	1.0
109.02975	0.7
113.02417	1.7
113.67469	0.8
119.04999	1.0
121.02967	10.1
122.03743	9.8
123.04526	1.8
133.02983	5.8
134.03740	2.4
134.06052	1.7
135.04517	4.2
136.01611	1.1
137.02446	1.6
145.02957	2.6
147.04543	0.9
149.02443	53.7
150.03227	69.1
151.03740	1.0
152.07137	1.1
152.99556	0.7
153.05534	0.8
153.09230	1.4
160.05312	0.8
161.02449	4.9
163.03975	1.9
164.04779	12.3
165.05571	67.5
166.06287	3.2
171.10303	1.1
173.04585	1.4
175.03920	0.9
175.07666	1.1
177.02034	3.3
177.05492	1.0
178.02722	1.6
179.03491	3.1
179.07121	2.0
180.04231	4.2
181.08710	1.1
187.04860	0.7
191.05618	2.8
193.05090	0.8
195.06625	42.3
197.04454	0.9
197.08179	6.1
213.07629	2.3
229.14627	0.7
240.04178	1.5
241.08687	1.1
265.08603	0.9
267.06610	0.9
267.10220	1.0
268.10965	1.0
269.04977	0.8
269.08182	3.4
269.11844	2.3
271.09689	1.0
281.09189	0.8
283.09714	2.3
283.12952	0.8
285.04031	1.1
295.06219	1.6
296.10638	1.4
297.11444	9.3
298.08487	1.9
298.12054	1.7
299.09262	3.3
300.09918	1.5
311.09253	3.4
311.12872	1.9
312.09698	1.1
313.10764	2.5
314.11533	5.1
315.12396	2.6
325.10840	1.9
326.11658	3.4
327.12201	1.2
327.21701	2.2
329.13959	14.1
341.13913	7.5
417.13733	0.8
423.25662	0.8
431.15137	3.9
433.16510	3.8
447.14648	1.3
458.14117	5.0
461.15744	1.3
462.16879	3.8
463.17502	1.6
477.19214	18.3
478.19702	1.0
479.20520	1.2
489.19391	3.3
492.17926	2.4
507.20236	100.0
508.20377	4.4
511.22226	1.9
525.21130	1.8
537.21027	1.3
555.21051	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	555.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.2
61.98822	5.9
63.02191	1.1
65.27256	1.0
69.03449	3.4
71.01374	4.7
73.02939	1.1
75.00879	1.1
81.74358	0.9
83.34200	0.9
85.02932	2.0
86.11748	1.0
87.00880	1.2
88.98833	1.5
89.02425	2.9
93.03439	4.5
95.05023	2.6
96.73468	0.9
98.21879	3.0
101.02432	3.2
105.03444	1.5
107.05003	0.9
108.02190	1.6
109.02916	1.5
113.02445	1.5
117.03520	1.2
121.02946	8.8
122.03725	10.4
123.04514	3.0
133.02931	5.8
134.03778	4.5
135.04521	4.7
137.02451	1.8
143.07076	1.2
145.02937	3.9
146.03745	1.2
148.05208	1.4
149.02434	56.0
150.03217	75.6
152.07150	1.2
152.99577	1.1
153.09273	1.5
161.02420	6.1
161.04526	1.2
163.03984	2.4
164.04768	14.3
165.05554	77.2
166.06183	2.8
167.03539	1.2
177.01884	2.3
177.05582	1.0
178.02725	2.3
179.03456	3.1
179.07144	3.2
180.04237	4.4
190.34952	1.1
191.05550	2.7
194.09521	1.4
195.06602	42.2
197.06526	1.1
197.08157	6.9
199.82094	0.9
213.07690	2.6
229.14287	1.2
239.14455	1.1
241.08672	2.1
267.10269	1.2
268.10953	1.7
269.04578	1.7
269.08112	4.1
269.11703	1.1
283.09830	2.2
285.03931	1.3
295.06113	2.0
296.10614	1.8
297.11420	9.5
298.08499	1.8
298.11948	1.9
299.09161	2.2
300.09854	1.7
311.09152	3.5
311.12585	2.1
313.10751	3.4
314.11453	6.7
315.12299	2.1
325.10748	2.7
326.11508	3.1
327.12125	1.1
327.21655	2.0
329.13892	14.8
341.13968	8.2
431.14822	4.2
433.16446	6.4
458.14197	6.0
461.16061	1.8
462.16663	4.9
463.17303	2.9
477.19168	15.5
489.19043	2.1
492.17673	3.7
507.20218	100.0
508.20520	4.6
511.21591	1.5
523.18628	1.4
537.20569	1.2
555.21344	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73914	2.0
59.01380	81.1
61.98829	5.5
68.99812	3.3
69.24834	11.9
71.01381	46.2
72.99284	2.2
73.02943	15.1
79.95715	2.6
81.03449	2.5
83.01357	2.7
85.02941	7.4
87.00852	2.4
89.02444	91.0
96.96001	44.6
97.02932	8.0
99.00889	16.9
101.02442	41.5
109.02955	3.8
113.02460	14.1
119.03522	10.4
121.02946	3.8
122.03725	4.4
124.01581	2.2
125.02430	7.1
131.03503	16.9
134.03720	2.6
135.03612	2.4
135.04520	14.0
137.02431	4.5
143.03493	3.1
149.04565	41.8
150.03207	10.0
151.03888	2.4
152.97935	2.2
153.01889	5.5
153.05518	4.2
161.02412	9.8
161.04546	6.8
165.02002	2.5
165.05565	21.4
166.06367	2.7
167.03447	4.5
167.07123	21.5
171.10274	4.0
179.03427	4.5
179.05649	2.8
179.07123	3.8
180.04214	4.1
191.05562	14.2
195.06554	15.5
197.04492	4.3
209.08110	7.9
221.04688	2.2
221.06683	5.4
233.06607	3.6
251.07678	5.1
277.00250	2.3
286.93805	2.4
293.08786	3.4
311.10068	3.6
311.63016	2.7
331.11801	6.5
334.30096	2.3
341.08737	11.5
363.16525	2.7
495.20786	100.0
495.28027	4.7
496.21426	5.3
519.24902	2.7
537.16113	2.5
555.16260	7.8
555.23718	4.0
580.20685	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	555.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73914	2.0
59.01380	81.1
61.98829	5.5
68.99812	3.3
69.24834	11.9
71.01381	46.2
72.99284	2.2
73.02943	15.1
79.95715	2.6
81.03449	2.5
83.01357	2.7
85.02941	7.4
87.00852	2.4
89.02444	91.0
96.96001	44.6
97.02932	8.0
99.00889	16.9
101.02442	41.5
109.02955	3.8
113.02460	14.1
119.03522	10.4
121.02946	3.8
122.03725	4.4
124.01581	2.2
125.02430	7.1
131.03503	16.9
134.03720	2.6
135.03612	2.4
135.04520	14.0
137.02431	4.5
143.03493	3.1
149.04565	41.8
150.03207	10.0
151.03888	2.4
152.97935	2.2
153.01889	5.5
153.05518	4.2
161.02412	9.8
161.04546	6.8
165.02002	2.5
165.05565	21.4
166.06367	2.7
167.03447	4.5
167.07123	21.5
171.10274	4.0
179.03427	4.5
179.05649	2.8
179.07123	3.8
180.04214	4.1
191.05562	14.2
195.06554	15.5
197.04492	4.3
209.08110	7.9
221.04688	2.2
221.06683	5.4
233.06607	3.6
251.07678	5.1
277.00250	2.3
286.93805	2.4
293.08786	3.4
311.10068	3.6
311.63016	2.7
331.11801	6.5
334.30096	2.3
341.08737	11.5
363.16525	2.7
495.20786	100.0
495.28027	4.7
496.21426	5.3
519.24902	2.7
537.16113	2.5
555.16260	7.8
555.23718	4.0
580.20685	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	555.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14679	1.0
55.01870	3.0
55.38179	0.8
57.03458	1.2
59.01381	31.7
61.98821	1.1
69.03443	1.5
71.01385	28.6
72.99316	8.8
73.02956	11.2
83.01400	5.4
85.02956	14.3
87.00879	2.8
88.98819	7.6
89.00348	1.3
89.02444	12.5
90.99255	1.5
95.01396	2.6
96.96023	3.1
97.02982	1.5
99.00888	3.1
101.02440	25.9
106.00622	1.9
111.00887	2.6
113.02454	12.4
119.03513	3.0
121.02958	19.9
123.00902	1.3
125.02441	1.7
135.04564	1.2
138.03198	2.2
141.02080	0.9
143.03447	1.5
149.04533	2.2
153.05566	14.4
153.85104	0.9
159.02986	1.9
161.02440	1.5
161.04591	9.2
165.05611	1.1
179.03435	1.2
179.05623	2.4
182.02199	2.0
197.04558	41.6
217.19882	0.8
309.73010	1.0
333.19238	12.5
495.24469	100.0
496.24686	4.2
519.24377	15.7
528.58777	1.3
555.22308	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	555.2777
Annotation	Artocommunol CB
Peak:m/z	Relative Intensity
50.41429	1.3
53.95522	1.3
56.60517	1.1
56.78772	1.1
61.98818	5.4
69.21789	4.1
69.22198	2.3
69.87358	1.1
82.15064	1.6
94.92012	1.2
99.92587	22.4
100.62068	1.5
100.93362	64.6
110.40519	1.3
115.92075	93.6
116.92861	3.8
117.13170	1.2
132.92276	1.3
137.43137	1.3
157.01979	1.2
172.78224	1.1
277.21747	2.4
331.64908	1.6
345.25339	1.3
388.97775	1.4
455.35434	2.9
457.36255	2.4
555.27765	100.0
556.28131	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	555.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49791	0.6
59.01359	1.7
61.98589	0.5
61.98832	6.6
63.96230	1.2
70.02258	1.8
71.01376	5.6
71.58820	0.6
73.02950	1.7
75.81181	0.6
78.95894	1.1
78.98608	5.0
79.95739	8.5
80.96516	58.0
81.03478	0.6
85.02914	1.9
87.00887	3.0
94.98094	11.8
96.96015	1.3
97.02948	1.7
98.21938	0.8
99.00921	1.0
101.02429	2.8
106.98071	2.6
122.97581	4.2
125.02481	3.0
127.04031	0.9
130.81561	0.6
134.97604	3.9
136.57378	0.6
136.99141	1.3
148.99130	4.8
152.98589	5.6
152.99582	1.2
164.98604	9.9
171.00609	0.6
182.99692	1.8
206.99677	2.6
225.00760	16.4
243.01720	1.1
245.04324	1.5
255.23163	2.9
262.63550	0.6
299.04340	2.0
386.37344	0.7
481.25650	3.0
555.28412	100.0
556.28668	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	555.2842
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
57.03472	0.3
59.01373	0.8
63.96238	0.8
69.03442	0.8
69.07196	0.8
69.07599	1.3
71.01377	5.7
71.42193	0.3
72.57879	0.3
73.02948	1.4
78.95929	0.5
78.98590	4.9
79.95731	7.8
80.96513	55.0
81.03445	1.0
85.02946	2.2
87.00880	2.1
94.98080	12.5
96.96000	0.7
97.02950	1.6
99.00889	0.5
101.02440	2.8
106.98082	3.0
113.02496	0.4
114.48824	0.3
116.13305	0.3
122.97578	3.9
125.02429	2.6
127.03952	0.9
134.97589	3.7
136.99112	1.2
146.97583	0.3
148.99139	4.8
152.98613	6.0
152.99684	0.6
164.98611	9.7
167.00200	0.4
168.69740	0.3
182.99669	1.6
183.68260	0.4
185.98349	0.3
188.24016	0.3
206.99619	2.2
225.00728	16.1
243.01775	1.3
249.10358	0.4
255.23235	3.4
299.04446	2.9
481.25534	0.8
555.28394	100.0
556.28833	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	5.6
96.95988	2.9
98.22498	9.6
99.92564	9.5
100.93362	48.0
101.93349	2.5
115.92071	75.2
116.92034	2.2
119.54006	1.9
149.18890	2.7
192.41837	2.0
229.38753	2.1
277.21716	100.0
278.22025	4.2
370.06931	2.1
455.35367	3.7
535.22137	2.5
555.27808	78.7
556.27948	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	556.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10257	0.8
57.84677	0.7
59.01374	4.3
60.41055	0.7
61.98823	2.1
70.65757	1.1
71.01367	2.2
88.23442	0.7
89.02437	2.5
91.39585	0.8
101.02451	2.1
109.14819	0.8
113.02449	1.2
146.92699	0.9
161.04523	1.4
235.08188	2.3
241.62195	0.9
253.09282	16.4
255.90845	0.9
277.21710	100.0
278.22000	2.8
279.23337	8.3
504.30789	2.6
529.51624	1.0
583.74750	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67427	0.7
51.86104	0.6
59.01374	8.4
61.98826	5.3
66.95519	0.7
69.70039	1.2
69.70377	0.9
71.01379	6.2
73.02928	0.8
83.01390	0.7
85.02939	1.1
87.00898	0.8
89.02445	5.7
101.02428	6.0
104.54346	0.6
113.02428	2.8
119.03482	1.5
130.54529	0.6
161.04536	2.1
179.05489	0.7
182.25922	0.6
235.08237	1.0
253.09277	25.8
271.44827	0.7
274.48840	0.7
277.21713	100.0
278.21942	2.9
396.59903	0.6
431.81323	0.8
436.90427	0.7
556.24854	1.5
556.32928	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95297	0.6
59.01382	3.9
61.98825	2.6
63.47351	0.5
66.22989	0.6
69.14666	3.0
71.01392	3.2
73.02929	1.1
78.85294	0.7
78.95894	0.9
85.02952	0.6
89.02445	2.1
101.02448	3.2
113.02459	0.7
119.03492	1.1
122.45120	0.7
124.91534	0.6
161.04526	2.1
235.08177	1.5
244.15845	0.6
253.09279	16.6
275.97638	0.7
277.21722	100.0
278.22006	2.1
279.23297	2.4
458.34213	0.7
504.30740	2.0
556.32056	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
61.59064	0.7
61.98818	2.4
78.45869	0.6
78.95899	7.5
80.96507	3.0
84.28058	0.6
87.90973	0.7
145.47609	0.7
152.99591	2.3
168.04315	1.8
170.57047	0.8
173.15729	0.7
175.93214	0.8
197.38187	0.7
224.06883	0.9
242.07964	1.4
247.44380	0.9
281.24850	100.0
282.25159	3.2
482.26016	1.8
506.32486	39.6
507.32562	1.6
556.28381	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	557.201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	2.6
59.01072	4.1
59.01378	80.5
61.98824	10.0
67.01887	3.0
67.32195	2.9
71.01381	28.6
71.43547	2.7
73.02941	6.3
77.13071	2.5
83.01397	5.0
83.93500	3.1
85.02958	9.4
87.00858	10.2
89.02438	7.4
93.03461	29.6
95.01352	3.3
98.27875	2.6
99.00906	3.0
101.02453	23.9
109.02941	4.3
111.04528	3.6
113.02472	14.5
132.04538	9.0
135.04550	5.1
137.02428	6.1
150.03168	5.6
155.03552	6.8
161.02444	6.5
161.04547	11.0
165.05525	7.7
169.29698	2.6
173.03041	6.4
173.04544	100.0
179.03514	3.7
189.05554	5.7
194.02319	3.0
195.06734	5.8
209.04665	4.3
212.53445	3.1
240.69476	2.7
287.09232	7.1
311.88199	2.9
313.10660	4.0
323.07730	3.0
335.22321	9.2
343.12070	2.9
347.17084	23.3
405.30600	2.8
407.24268	4.6
497.27585	53.6
514.27539	5.2
521.21783	69.1
557.23950	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.5
58.00583	1.3
59.01380	12.8
60.38112	0.7
61.98811	0.8
65.25507	0.6
69.03439	0.7
71.01389	4.7
72.99296	0.5
73.02944	2.3
85.02944	2.2
87.04516	9.1
88.98774	1.2
89.02444	2.7
93.03463	2.1
97.02937	1.8
99.04435	0.6
101.02454	4.1
113.02443	2.0
114.03203	0.6
119.03532	1.4
121.02918	1.7
122.03758	7.5
123.04512	1.7
125.02473	1.2
125.06120	0.6
133.02997	0.8
134.03772	0.7
135.04520	2.6
135.08208	0.9
136.01659	0.8
137.09720	7.2
138.03200	0.7
139.07655	2.2
139.11237	0.7
149.02446	1.0
150.03226	57.6
151.04027	3.9
151.11279	1.1
155.10782	34.7
156.11171	1.1
161.02426	1.7
161.04588	0.8
163.07637	0.6
163.11322	1.0
165.05563	100.0
166.05914	1.0
167.10770	1.3
169.12341	2.2
177.09233	0.7
179.03418	1.6
179.10788	3.9
181.08691	3.4
191.05682	1.0
191.10765	2.4
193.12314	0.9
195.10248	2.5
197.04539	0.7
199.09750	30.9
207.66602	0.8
213.07668	4.3
213.11319	2.0
223.09523	0.6
225.11275	0.6
229.29019	0.7
237.11378	1.1
241.10814	9.8
253.10809	2.3
255.12381	3.3
280.98279	0.6
283.08704	0.9
283.11877	17.7
284.12354	0.7
343.13995	11.6
344.14087	0.8
383.31201	0.6
497.26700	1.9
521.26117	1.6
557.22455	39.0
558.22571	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	557.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.4
59.01376	5.3
61.98827	1.9
65.96671	0.4
68.99823	0.7
69.03455	1.9
71.01365	3.1
71.44501	0.4
73.02941	3.4
74.40504	0.4
81.03452	0.9
85.02950	0.9
87.00880	1.2
89.02455	3.0
93.03466	0.8
95.01382	0.9
101.02451	3.5
113.02435	1.1
118.66601	0.4
118.96220	0.4
119.03511	1.1
119.62778	0.4
125.02456	1.4
130.19701	0.4
133.02951	1.1
133.06618	1.3
135.04562	1.0
135.08200	1.0
137.09708	7.8
151.07666	0.9
152.99695	0.6
153.05661	0.4
155.03529	1.1
155.10777	100.0
156.11034	2.1
161.02446	1.4
173.04590	1.5
177.05576	0.7
178.08701	0.4
179.03471	0.7
179.05597	0.5
181.08600	0.4
182.65892	0.4
191.05606	1.0
199.09750	72.9
200.10138	1.7
252.65245	0.5
285.03928	0.5
333.16815	1.4
335.22162	1.7
351.17963	0.5
357.11923	0.5
359.17056	0.6
359.28098	0.6
505.74973	0.4
513.23456	0.6
521.33234	3.8
557.22308	19.3
557.31006	17.5
558.22723	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3097
Annotation	13beta-Hydroxymilbemycin A4
Peak:m/z	Relative Intensity
54.81522	1.7
57.03450	2.1
59.01376	15.3
61.98812	8.0
67.29623	1.9
69.16409	3.9
69.16806	9.0
71.01382	10.1
71.47995	2.0
73.02928	3.8
78.95892	4.0
80.35215	1.9
81.15350	2.1
85.02934	2.9
87.00878	4.3
88.03717	1.8
88.98791	3.4
89.02435	6.7
93.03462	5.8
95.01398	2.2
96.96006	4.5
101.02419	8.8
119.03451	3.6
133.02945	6.0
135.04507	7.8
137.02437	12.2
143.38931	2.0
152.99574	3.4
155.03494	4.6
155.10846	3.9
161.02437	18.2
161.04498	2.8
171.10287	6.3
173.04539	14.1
179.03421	7.8
191.05574	6.8
199.09607	2.5
211.13409	6.2
225.11258	4.8
229.14455	6.2
285.03891	4.6
329.23260	18.0
335.22424	4.3
395.13162	4.9
464.93207	2.1
519.15002	10.8
521.33411	30.4
557.31335	100.0
558.31305	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	557.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93392	46.2
59.42239	47.5
71.45971	47.7
80.55166	48.1
94.33249	50.2
94.33863	42.1
155.56566	56.2
199.95958	49.1
254.55551	45.4
357.30728	50.7
503.21030	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	558.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59063	2.1
59.01365	9.1
61.98825	12.3
64.54460	2.1
67.67657	2.0
70.69124	2.0
71.01385	2.9
78.95905	3.6
89.02442	4.5
94.35441	2.3
96.96053	2.2
101.02438	5.4
111.82832	2.2
116.92915	2.2
152.99492	3.7
235.08072	3.2
253.09248	21.4
259.05096	2.5
279.23279	100.0
381.11737	2.4
472.18912	2.4
544.61694	2.2
558.33063	3.5
559.34583	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	558.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.0
59.62819	3.1
61.98831	20.0
75.55806	2.9
78.95931	7.9
89.02458	4.1
101.02431	2.7
108.97114	2.5
160.75932	3.1
160.84160	3.3
245.04395	3.6
253.09233	18.1
270.65787	3.6
279.23288	100.0
281.24884	89.6
282.25146	7.3
283.25476	7.1
476.27722	3.4
506.32385	33.6
508.33041	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	559.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42358	1.3
56.03159	1.3
59.01379	33.8
61.98820	2.6
63.11448	1.6
64.27625	1.6
66.39190	1.8
69.03441	2.4
71.01385	22.6
71.44112	1.9
73.02951	3.7
78.95879	5.2
79.95729	3.0
82.95397	1.7
85.02934	6.0
87.00825	3.0
89.01932	2.6
89.02443	36.8
96.96011	100.0
96.96906	8.0
97.02927	2.6
99.00900	1.7
101.01865	1.8
101.02440	16.6
113.02454	11.3
119.03519	15.6
123.04502	4.5
131.03458	2.9
135.04449	2.2
143.03410	5.6
143.34987	1.7
149.04520	3.7
153.05504	4.9
161.04530	9.3
161.08188	4.2
179.05603	44.8
191.05614	3.4
209.01208	4.4
220.38788	1.5
223.06035	2.1
251.02251	3.5
265.12921	2.1
316.86295	1.8
397.16956	7.2
463.18192	2.9
499.11111	7.8
559.17609	65.6
560.17865	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.8
59.01381	9.7
61.98828	3.2
69.03447	0.7
69.18000	2.2
69.78996	0.4
71.01377	6.2
73.02953	1.7
77.03988	0.5
83.01379	0.8
83.05040	1.3
85.02952	1.8
87.00874	1.2
89.02444	8.5
93.03436	1.2
96.95994	1.6
99.00887	1.9
101.02426	5.7
113.02456	2.5
115.03982	0.4
119.03516	1.0
121.02954	100.0
122.03307	1.2
125.02450	2.0
131.03494	1.1
133.02963	3.1
135.04504	2.9
137.02521	0.6
145.02980	0.8
149.04529	2.0
161.02429	14.0
161.04582	1.5
162.02820	0.6
163.04005	0.5
173.04604	2.5
179.03477	2.2
191.05586	3.0
233.06664	1.0
251.05446	0.6
284.03317	0.7
285.04028	1.7
293.08765	8.8
337.23657	1.1
343.11816	0.9
377.14508	11.7
426.12381	0.5
469.11386	2.1
499.17911	2.3
499.28860	2.5
521.33618	1.3
523.18719	3.1
523.34747	5.2
555.37469	0.5
559.32355	33.2
560.32813	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62160	0.5
59.01367	0.6
61.98823	0.6
69.08024	2.8
71.32947	0.4
78.95898	7.3
84.78176	0.4
106.75938	0.5
152.99583	3.6
168.04298	2.1
171.00659	0.5
211.87515	0.5
224.06966	1.1
242.07994	3.1
277.21725	100.0
278.22067	3.3
290.77811	0.5
339.50455	0.4
431.22269	0.8
474.26367	0.5
502.29391	53.1
503.29886	2.4
559.31641	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	559.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26069	0.5
57.51567	0.5
59.01371	1.0
61.98821	2.2
69.13122	3.7
78.95903	23.5
81.29551	0.6
84.64028	0.5
85.42844	0.6
98.22646	1.0
152.99588	5.5
168.04298	3.6
205.34312	0.6
224.06886	9.2
242.07979	2.8
275.20004	0.7
277.21716	92.3
278.22049	2.3
293.69589	0.5
330.21576	0.6
440.08020	0.6
502.29382	100.0
503.29758	4.2
559.31543	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	559.3264
Annotation	Montanin
Peak:m/z	Relative Intensity
51.45984	1.2
59.01385	14.6
61.98824	6.6
69.03461	2.0
71.01388	11.1
71.74422	1.2
73.02946	2.2
74.32181	1.2
83.01421	1.7
85.02946	4.1
89.02457	8.1
93.03473	2.3
96.96028	4.2
99.00847	1.5
101.02448	7.9
105.44740	1.2
113.02432	2.6
119.05016	6.5
121.02921	5.4
125.02462	2.8
131.03520	1.4
133.02930	5.5
135.04504	9.1
137.02437	2.1
145.02931	1.7
149.04527	2.0
155.03519	1.5
161.02444	11.2
163.04030	12.6
164.04535	1.8
165.05589	2.4
173.04532	6.9
179.03503	4.1
191.05618	9.7
220.16518	1.3
281.03635	1.4
284.03247	1.5
285.04120	3.9
343.11938	7.0
499.21994	2.9
499.28876	2.4
523.18353	5.8
523.34705	16.3
559.32562	100.0
560.32715	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	559.3256
Annotation	Montanin
Peak:m/z	Relative Intensity
53.85449	1.9
59.01377	15.9
61.98799	2.5
69.03452	2.1
71.01379	8.5
76.71487	1.8
81.47615	1.9
85.02946	2.0
87.00879	3.3
89.02448	9.4
91.38293	2.1
96.96022	2.1
101.02435	5.5
113.02484	3.2
121.02980	10.8
133.02946	3.0
135.04507	2.7
149.04514	3.8
161.02435	7.6
161.04547	2.8
173.04572	3.4
179.03476	1.9
191.05592	8.4
220.01939	1.9
261.28851	1.9
317.11819	1.8
374.12524	2.0
499.28790	2.2
521.33289	2.5
523.34943	23.0
559.32495	100.0
560.32800	3.3
567.20807	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	560.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09119	2.5
55.28074	2.8
56.32453	3.1
57.03436	6.8
57.62678	2.6
61.09637	3.1
61.98825	36.1
65.00298	11.9
65.39883	2.7
83.01387	6.1
103.40652	2.5
107.01415	19.7
118.97540	3.0
123.04530	7.0
125.02438	73.3
150.23027	2.8
151.00352	55.2
160.05246	3.5
167.03485	12.2
172.05289	8.1
187.04123	3.9
197.06073	4.0
202.06293	3.3
227.03371	14.0
228.04305	12.1
268.03696	11.4
283.13373	51.2
301.14444	21.7
309.14981	14.7
311.12851	5.9
327.15836	6.8
329.13727	3.9
335.12823	3.9
345.16995	6.9
353.13953	10.0
371.14963	94.4
497.18170	100.0
498.18304	6.0
561.13831	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	560.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36729	3.7
57.03440	8.2
59.01360	5.4
61.98833	28.4
62.00982	3.9
65.00306	11.6
68.07421	3.4
70.00500	3.5
81.03464	4.2
83.01373	8.8
107.01385	21.2
123.04528	9.3
125.01620	7.0
125.02455	80.0
151.00362	69.7
152.33009	3.4
162.65868	4.1
163.12534	3.7
167.03499	11.3
172.05260	8.9
173.06111	4.1
177.01878	7.8
191.05577	13.7
199.04010	7.0
227.03488	13.0
228.04222	15.5
256.34961	4.1
283.13419	59.4
301.14417	19.8
309.14966	18.4
327.16016	10.1
329.13843	7.4
345.17084	5.9
353.14108	9.6
355.05627	4.0
371.14963	98.4
497.18179	100.0
508.80655	3.8
527.37946	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	561.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08912	0.2
59.01379	3.9
61.98825	0.4
68.35778	0.2
68.39564	0.2
71.01380	2.7
71.46955	0.2
72.21343	0.2
73.02947	0.8
73.55372	0.2
75.90647	0.2
76.15529	0.2
78.95903	2.8
79.95738	3.4
80.96537	1.3
83.01377	0.6
85.02955	1.0
87.00873	0.4
87.04524	0.3
89.02438	2.5
93.03444	0.5
94.98080	0.4
95.01381	0.4
96.96013	100.0
96.96899	4.3
99.00874	0.6
99.04543	0.3
101.02454	2.3
107.01388	0.4
113.02460	0.6
117.05565	0.6
119.03505	0.4
121.02950	0.3
123.94661	0.2
125.02454	0.4
131.03516	0.5
131.07156	1.3
133.02948	1.6
135.04539	3.2
143.03516	0.4
149.04556	2.4
151.00407	2.2
155.03447	0.4
161.02448	4.5
161.04597	0.4
163.04034	2.0
164.98557	0.3
173.04529	1.0
177.68399	0.2
178.06351	2.1
179.03513	2.4
191.05568	1.3
193.08688	3.5
196.38086	0.2
205.07158	0.4
217.45361	0.2
225.00587	0.3
285.03961	0.3
301.07147	1.6
324.97992	0.2
339.02197	0.4
357.02774	0.5
384.01648	0.6
399.03955	4.4
399.12711	2.1
425.50168	0.3
501.19312	1.3
501.30780	0.7
525.19781	2.1
543.21436	0.4
561.14789	2.0
561.23810	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	561.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02971	0.4
59.01379	5.4
61.98830	2.7
63.02399	0.9
65.00329	0.7
69.03458	0.5
69.94820	0.3
71.01392	4.0
71.27555	0.4
72.99315	1.0
73.02959	1.0
78.95930	0.3
79.42790	0.3
81.11088	0.3
83.01405	0.7
83.05045	0.4
85.02964	1.9
85.06580	0.5
85.27711	0.3
87.00897	0.4
88.98795	0.4
89.02430	3.0
93.03461	1.6
95.01383	0.6
99.00905	0.4
101.02445	2.7
105.03460	0.5
107.01397	1.6
109.02991	0.7
111.04552	0.5
113.02451	1.0
119.03486	0.5
121.02931	0.6
123.04545	0.7
131.07172	0.9
133.02951	4.6
134.03722	1.1
135.04483	1.0
149.02446	1.3
149.04581	0.5
151.00351	3.8
155.03465	0.9
155.10789	0.9
161.02420	0.7
161.04565	1.0
173.04565	1.4
175.04031	1.9
177.01935	0.6
179.03479	0.8
179.05617	0.8
183.04588	0.4
191.05624	8.8
199.04015	1.4
200.04803	0.7
201.01956	0.6
211.04047	0.8
212.04771	0.4
213.05670	0.4
215.03505	0.7
217.04997	0.8
227.03447	0.8
239.03381	0.8
240.04327	0.6
241.05098	0.8
242.02126	0.6
243.03036	0.8
256.03745	2.3
267.07187	0.5
269.04486	0.6
283.02371	0.6
283.98657	0.6
284.03265	32.2
285.04041	100.0
286.04404	2.9
297.04102	0.5
325.14368	0.6
327.05087	0.9
343.15698	0.4
351.12280	0.4
369.13416	4.3
387.14539	0.5
429.08148	1.1
447.09341	2.4
501.30508	1.4
561.16101	53.5
562.16266	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	561.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42904	0.6
56.44664	0.7
57.03444	1.0
59.01384	10.0
67.01886	3.7
68.99814	3.3
69.03461	1.8
69.11123	1.6
69.11528	3.2
71.01383	6.9
81.00552	0.7
81.03473	1.4
83.05045	0.9
85.02936	1.8
89.02443	3.6
91.00521	0.7
93.03461	14.8
95.01387	23.4
97.83108	0.7
99.00903	0.8
101.02454	7.6
101.53619	0.8
109.02972	1.1
111.00837	1.2
111.04526	3.9
113.02419	1.3
119.03507	1.5
120.47253	0.7
121.02968	1.1
123.00925	1.0
123.04525	9.7
137.02441	1.1
149.02458	0.8
155.03510	100.0
156.03813	1.6
157.04988	1.2
169.10725	0.7
173.04561	9.1
175.04057	1.0
179.05589	1.0
329.08725	4.0
359.65045	0.8
381.11920	0.7
431.87274	0.8
561.18250	87.2
562.18341	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	561.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.1
59.01380	10.2
64.86846	0.7
67.01890	26.3
68.99810	2.1
69.03452	4.5
69.36672	1.2
69.37062	1.6
71.01379	7.2
73.02934	2.8
73.56567	0.6
79.14553	0.6
81.03443	1.7
83.05016	2.1
85.02946	3.9
87.00861	1.4
89.02441	3.8
93.03462	17.8
95.01388	5.6
95.05029	0.7
96.96000	1.4
97.02946	5.2
99.00883	0.8
99.04519	3.0
101.02425	5.5
109.02963	1.8
111.00885	3.2
111.04504	8.8
112.01667	0.9
113.02425	1.4
119.03499	0.9
119.05041	1.0
121.03009	3.5
123.04536	5.5
127.04014	77.5
133.02971	6.6
135.04500	4.4
137.02446	3.3
143.03516	1.4
149.02449	5.5
155.03503	25.9
161.02446	31.8
161.06079	0.7
163.06163	1.1
165.05540	1.7
167.07069	0.9
173.00917	0.9
173.04544	10.2
179.03496	2.0
191.05612	2.2
193.05022	2.1
201.04156	0.9
217.07228	6.0
297.09766	1.8
311.08002	1.0
329.08759	29.7
361.26874	0.9
367.10266	3.5
381.11945	1.1
399.12961	20.8
525.16376	0.9
529.15399	1.1
561.18243	100.0
562.18817	3.7
586.98871	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.4
58.00590	1.1
59.01380	54.8
67.01886	1.0
68.99860	0.8
69.03459	1.1
69.40966	0.6
71.01383	30.6
72.99320	0.8
73.02958	5.4
75.24941	0.8
78.95913	3.0
79.95737	2.7
82.95405	2.0
82.96098	0.7
83.01384	1.3
83.39823	0.8
85.02939	6.5
87.00864	4.1
89.02444	54.6
93.03466	1.0
95.01456	1.1
96.96011	100.0
96.96908	6.7
97.02979	0.7
99.00862	1.0
101.02445	28.8
107.68620	0.6
111.00884	29.4
113.02464	6.7
119.03487	5.2
123.04543	1.1
125.02414	1.6
125.08338	0.7
131.03506	17.9
133.02942	1.5
135.04504	1.1
143.03477	0.9
149.04553	64.0
150.04865	1.4
155.03474	2.5
161.02417	2.0
161.04553	3.3
173.00890	4.5
173.04602	1.0
191.05626	11.5
196.97760	0.7
198.23407	0.7
221.06580	0.7
251.07782	1.4
293.08716	1.4
293.60611	0.7
311.09866	4.7
460.62189	0.7
500.15463	0.8
501.16589	2.3
501.23260	1.1
519.24329	2.6
561.20026	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	561.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55682	1.3
58.00602	1.5
58.20814	1.3
59.01378	80.1
66.83864	1.3
69.76407	3.0
71.01382	47.7
71.01781	2.5
72.99345	1.4
73.02946	17.0
83.01397	1.7
85.02953	6.0
87.00874	1.7
89.02444	100.0
97.02959	1.8
99.00873	18.1
101.02448	45.2
113.02451	10.4
119.03500	4.9
125.02456	3.4
131.03502	19.8
143.03503	3.9
149.04553	88.1
161.02426	1.5
161.04561	5.1
190.21446	1.4
191.05605	19.8
211.32892	1.5
221.06673	6.1
248.39296	1.7
251.07732	5.3
252.50031	1.3
255.55539	1.6
293.08734	3.4
311.09836	5.1
344.18405	1.4
501.23544	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	561.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55339	0.4
61.98836	0.9
64.25555	0.4
70.50552	0.7
78.95904	6.9
84.77969	0.5
97.35030	0.4
152.99539	2.9
168.04352	1.0
224.07010	0.8
242.07956	2.6
279.23297	100.0
280.23633	3.8
391.70627	0.5
433.23438	0.6
476.27698	1.1
504.30963	39.7
505.31412	2.2
561.32996	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	561.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64557	0.8
59.01359	0.9
61.62769	0.8
61.98829	2.0
63.23381	0.8
71.27226	1.1
78.95905	27.4
84.19921	0.7
89.02390	0.8
96.88010	0.7
96.96980	0.9
125.89417	0.9
152.99591	7.5
168.04317	3.4
171.00648	1.9
212.72786	0.7
224.06918	8.5
242.07971	2.7
279.23288	100.0
280.23569	4.5
328.62430	0.8
476.28000	6.6
504.30969	95.2
505.31168	4.2
517.98431	0.8
545.43347	0.8
561.25073	2.1
561.33258	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	562.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.4
55.72582	1.4
57.03456	2.3
59.01110	2.4
59.01381	30.3
69.03458	3.6
69.14909	9.2
71.01383	26.7
73.02946	6.5
82.52355	1.4
83.01376	3.4
85.02951	6.4
85.86339	1.4
87.00872	4.9
89.02450	27.3
99.00893	8.2
101.02445	18.0
113.02474	8.4
115.03995	1.8
119.03500	2.1
123.08192	5.0
125.02425	4.1
131.03516	4.1
137.09731	5.1
138.06906	1.5
149.04546	8.1
149.05745	1.4
161.02420	2.0
161.04558	4.6
163.11299	9.1
164.04443	1.5
189.12856	14.0
191.05608	3.7
207.13898	12.8
225.07759	1.4
233.06706	3.2
293.08841	3.9
383.99649	1.7
387.20206	4.6
517.22827	3.3
519.24432	100.0
520.24652	7.3
562.16199	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	562.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	3.1
78.95900	34.6
93.03419	1.4
140.01138	6.8
151.11192	1.5
152.99538	2.8
191.05545	2.2
196.03789	13.5
199.13385	22.6
204.83760	1.6
214.04860	4.2
234.21320	1.4
279.19531	8.3
347.25800	6.6
349.71936	1.6
356.60333	1.5
365.26926	100.0
366.27301	4.5
562.31464	74.5
563.32001	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	562.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81304	0.3
61.98849	0.5
69.63384	0.7
78.95902	7.7
80.08114	0.3
85.06582	2.6
87.15730	0.3
140.01195	3.5
152.99619	0.7
196.03711	1.3
199.13431	0.7
214.04836	3.2
261.18591	1.1
279.19650	18.2
280.20093	0.4
347.25900	6.2
363.25452	0.8
365.26944	100.0
366.27298	5.6
562.31464	26.3
563.31879	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	563.1405
Annotation	Apiin
Peak:m/z	Relative Intensity
52.34537	0.1
59.01377	1.1
61.98832	1.3
62.09660	0.1
63.02378	0.8
65.00341	0.5
69.10330	0.5
71.01377	0.7
73.02943	0.3
75.85619	0.1
77.15840	0.1
83.01376	0.2
85.02946	0.2
85.65974	0.1
87.00864	0.2
89.02443	1.5
90.02777	0.1
93.03454	0.3
95.01408	0.1
96.96011	4.3
96.96969	0.2
98.22578	0.3
99.00900	0.2
101.02456	0.8
105.03473	0.1
107.01385	1.3
113.02448	0.2
114.93398	0.2
116.92888	0.2
117.03465	2.1
121.02969	0.2
131.03458	0.2
133.02951	0.3
133.30830	0.1
135.04536	0.3
135.55196	0.1
135.60593	0.1
149.02498	0.8
149.04578	0.9
150.04854	0.2
151.00381	0.6
155.05104	0.1
159.04532	1.1
161.02428	0.9
161.04503	0.1
169.06589	0.4
171.04556	0.1
173.06102	0.1
181.06593	0.3
183.04521	0.5
191.05591	0.4
196.05219	0.2
197.06035	0.6
201.05576	0.5
224.04802	0.2
225.05556	0.9
227.03477	0.6
240.04366	0.1
268.03748	2.5
269.04535	100.0
270.04858	2.6
285.04288	0.1
285.93137	0.1
311.05527	0.3
465.00461	0.1
505.59882	0.1
563.13910	2.7
564.14746	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.9
61.98826	0.6
67.01881	1.8
68.18411	0.5
68.99813	2.0
69.03459	4.7
71.01028	0.6
71.01387	4.4
71.45790	0.6
72.99304	2.8
73.02949	0.8
85.02959	4.3
87.00877	100.0
88.01236	0.6
89.02449	5.9
90.16320	0.5
93.03452	4.4
95.01385	1.7
95.05042	1.2
99.00902	1.1
99.05646	0.5
101.02445	6.7
111.00887	9.6
113.02446	6.5
119.03529	1.2
119.05057	0.6
119.27359	0.6
121.02969	1.9
121.06620	2.2
123.04526	1.3
125.02505	0.7
127.04021	4.2
131.03525	0.9
137.02470	0.7
139.04004	0.6
145.41879	0.6
147.04491	0.7
147.08208	0.6
149.02466	1.4
149.04556	2.3
149.06111	5.1
149.09706	0.8
153.05568	7.9
154.99846	1.1
155.03514	3.6
157.01422	3.3
157.05077	1.5
161.02455	0.7
165.05591	1.3
173.00917	5.7
173.04567	2.0
179.05640	0.6
179.07130	0.6
181.05144	0.7
191.05612	14.1
193.05107	4.1
205.08693	0.5
225.04041	1.1
225.07613	0.9
237.04013	0.8
269.06805	1.3
299.07681	0.7
331.10291	0.8
443.11600	0.6
450.30432	0.6
457.07819	0.9
457.13541	7.6
475.14539	55.2
476.15009	2.0
483.14798	0.7
501.16116	11.3
517.22626	0.9
545.15051	5.2
563.16449	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	563.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.6
59.01384	38.7
61.98806	1.6
67.01888	3.4
68.99815	3.4
69.03446	9.5
69.43259	7.7
71.01382	25.8
72.23700	1.6
72.99306	7.4
73.02946	7.8
75.00868	2.6
83.01391	2.6
84.95109	1.8
85.02956	13.8
87.00880	100.0
88.98810	3.2
89.02446	26.1
93.03464	15.1
95.01388	1.9
95.05033	2.0
96.96030	4.7
97.02956	4.5
99.00890	4.5
99.04562	1.9
101.02450	22.8
111.00882	4.2
111.04514	3.3
113.02449	15.8
116.92838	2.2
119.03511	6.5
121.02972	6.4
121.06612	2.4
122.03641	1.7
123.04538	2.9
125.02433	2.8
127.04014	6.5
131.05074	1.5
133.02983	3.9
134.03737	10.6
135.04536	4.5
137.02483	5.0
139.04077	1.5
143.03477	2.3
149.02452	4.9
149.04564	4.7
149.06094	7.2
150.03279	10.9
153.01762	1.6
153.05525	9.1
155.03487	7.0
157.01405	5.7
161.02457	4.2
161.04582	4.2
161.08229	2.5
164.04756	2.1
165.02274	14.5
165.05534	12.6
168.00598	1.8
173.04561	38.2
178.02669	3.8
179.03418	2.2
179.05588	4.9
179.07005	1.8
179.99858	1.6
181.04941	2.4
191.05640	16.0
193.05064	20.1
195.06635	5.7
225.04135	2.3
239.07150	2.5
269.10284	5.4
341.10318	6.5
389.12463	7.0
393.41440	1.7
401.14481	11.8
417.10223	1.7
457.13419	5.3
475.14600	59.9
481.96997	1.9
501.16238	10.5
519.17310	2.4
529.51013	1.7
545.15216	2.2
563.16315	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.9
64.85117	0.5
67.01890	1.8
67.05367	0.6
68.89275	0.6
68.99811	2.3
69.03467	6.6
69.12860	2.2
69.13282	1.7
69.50404	0.5
71.01389	4.5
72.99303	1.6
73.02923	0.7
85.02943	4.5
87.00875	100.0
89.02447	4.9
93.03432	3.7
95.01381	1.7
95.05014	1.0
98.21891	1.5
99.00900	1.2
101.02443	6.3
111.00884	6.3
113.02444	7.0
119.03517	0.8
121.02959	3.1
121.06594	2.4
123.04548	1.3
125.02406	0.6
127.04012	4.6
131.03528	1.7
134.03787	0.8
147.04596	0.6
149.02454	1.3
149.04767	1.1
149.06084	6.0
149.09676	0.7
153.05571	9.1
154.99939	0.7
155.03522	3.5
157.01459	4.2
157.05052	1.2
165.05547	1.2
168.92386	0.6
173.00896	4.1
173.04547	2.1
173.05974	0.7
175.04044	0.7
179.07104	0.8
181.05052	2.0
191.05597	11.6
193.05020	2.9
225.03976	1.3
225.07718	0.8
269.06708	0.7
299.07660	0.7
380.69720	0.6
415.08127	0.7
457.13504	7.5
475.14590	46.1
476.15182	1.6
501.16132	8.4
502.15903	0.8
545.14972	4.2
563.17224	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	563.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.7
57.03430	1.7
59.01377	20.4
60.99294	2.0
69.22729	3.5
70.67833	0.9
71.01379	9.7
72.99305	19.5
73.02945	3.2
75.00864	4.7
83.01405	1.6
85.02953	5.7
87.00871	24.1
89.02438	33.4
95.01363	2.7
99.00871	8.4
101.02445	4.6
105.01917	1.6
109.02920	1.2
111.00863	2.8
112.98812	4.6
113.02420	2.1
115.00361	7.5
117.01941	13.2
119.03438	1.2
123.00864	3.7
127.00361	1.4
129.01927	2.2
131.03445	2.0
133.01427	27.7
135.03026	1.2
135.04475	1.3
138.03223	2.6
142.99857	3.3
145.01416	12.4
147.02943	1.7
149.02457	1.6
149.04576	1.0
151.00380	1.4
153.05565	6.2
161.01270	0.8
161.02437	5.8
163.03966	4.4
164.04811	4.1
166.02718	3.1
173.00905	24.3
174.01743	5.0
174.03114	1.1
175.04010	1.3
176.04851	6.1
177.01910	1.2
177.05524	1.4
178.06364	7.0
179.03493	9.0
179.05034	0.9
179.05643	1.6
179.07085	9.8
181.04976	2.7
188.04878	1.1
191.03499	4.5
191.05536	2.7
191.07124	3.8
193.08688	7.0
194.05853	11.5
203.03481	2.5
204.04430	1.0
205.05017	2.9
206.05838	4.2
207.03085	0.8
207.06651	1.3
209.08176	18.3
218.05827	1.8
219.02983	3.3
221.03040	9.3
221.06477	14.0
221.08295	2.7
231.02975	1.7
233.04501	1.1
234.05276	3.0
235.06047	1.2
246.05235	1.2
247.02426	3.6
249.07675	7.0
261.04016	2.5
262.04752	7.1
264.06375	2.0
265.07108	13.6
265.09674	1.1
275.11911	0.8
276.06366	2.6
277.07138	21.8
291.08783	1.6
295.08060	1.0
309.09723	1.2
325.09064	1.1
337.09250	21.9
341.10577	1.0
353.74805	0.9
383.09857	2.9
427.12616	4.5
439.11978	1.6
563.16119	100.0
564.16504	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	563.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75043	0.7
52.16945	0.6
53.24205	0.7
55.01878	1.0
57.03445	0.9
59.01389	3.2
63.57491	0.6
68.56403	0.6
68.99802	0.9
69.03461	1.1
69.81557	1.6
69.81909	1.1
71.01376	6.4
72.99310	1.6
73.02930	5.7
83.01395	1.8
85.02943	5.0
87.00876	31.1
90.63452	0.6
95.01380	3.4
97.02956	0.7
99.00886	10.1
100.01694	0.8
101.02426	2.6
105.47527	0.6
109.02888	0.9
111.00871	5.6
112.98811	7.3
113.02425	1.4
115.00355	1.1
123.00889	8.5
124.01637	1.7
129.01961	1.8
137.02487	0.9
138.03246	5.0
142.99847	5.1
145.01421	3.2
147.03018	0.8
147.04536	1.5
149.02356	1.3
151.00418	1.2
151.03976	1.3
153.05573	8.1
161.02438	7.2
163.04022	5.6
164.04820	4.9
165.05627	0.9
166.02686	3.6
173.00903	26.7
174.01678	5.0
174.03070	1.4
175.04028	3.3
176.04800	7.3
177.01973	1.2
177.05481	1.4
178.06363	10.0
179.03500	10.5
179.07101	11.1
181.05066	5.3
188.04797	1.6
189.05598	1.0
190.02745	2.1
190.06358	1.4
191.03490	7.5
191.05211	1.1
191.07106	4.6
192.04247	1.3
193.08678	14.1
194.05815	14.7
203.03529	5.8
204.04202	0.9
205.05042	4.8
205.08794	0.7
206.05830	5.7
207.06635	1.6
209.06331	1.4
209.08182	20.1
217.05116	1.3
218.05756	2.4
219.03044	4.8
219.06656	1.4
220.03758	0.7
221.08211	9.3
229.01431	1.5
231.02859	1.4
231.41759	0.7
233.08174	1.4
234.05228	4.0
235.06157	1.1
236.06953	1.3
237.07700	1.8
245.04515	1.4
246.01648	1.2
246.05431	1.9
247.02473	7.3
247.04761	0.8
247.06107	1.2
249.07707	9.8
250.04893	0.7
251.09290	1.2
259.06140	1.1
261.03995	4.3
261.07507	1.6
262.02277	1.1
262.04831	14.6
264.06302	1.9
265.07159	12.9
276.06378	4.0
277.07153	36.6
279.08572	0.7
289.55164	0.7
291.08679	2.5
295.08075	1.2
309.09882	1.0
325.09131	1.8
325.70355	0.7
337.09296	28.9
383.09799	2.2
427.12259	2.3
433.59848	0.8
439.12280	1.5
563.16138	100.0
564.16602	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	563.1764
Annotation	Dracunculifoside H
Peak:m/z	Relative Intensity
57.03452	0.6
58.12833	0.6
59.01384	6.9
59.88119	0.5
61.98825	1.3
69.75938	0.9
70.29919	0.4
71.01381	7.2
72.78809	0.4
73.02959	2.5
79.97478	0.5
81.03453	0.5
83.01407	1.1
85.02947	5.0
87.00875	1.3
89.02441	4.2
93.03465	2.4
95.01384	0.6
95.16798	0.5
96.96005	7.7
96.96588	0.6
98.95603	6.0
98.96358	0.8
99.00903	1.4
99.04543	0.5
100.93377	1.1
101.02447	5.2
107.05044	0.9
109.02968	0.7
111.04544	0.5
113.02458	2.6
115.92097	1.5
116.92861	0.9
117.03478	1.5
119.03520	0.8
119.87749	0.5
125.02440	0.7
127.04070	0.6
131.03471	0.7
132.02193	1.8
133.02962	32.1
134.03770	4.2
135.04527	38.9
136.04865	1.1
141.17358	0.5
149.04572	1.2
151.00375	0.5
159.04398	0.5
160.01558	0.6
161.02446	100.0
162.02811	2.5
173.04564	2.7
179.03503	24.9
180.03842	0.7
187.04021	0.6
191.05618	27.2
224.38873	0.6
227.03569	0.8
228.04257	0.8
269.04645	0.5
283.13354	1.2
301.14297	0.5
327.12704	0.5
327.16171	2.9
327.19775	0.5
327.20358	0.4
329.81274	0.5
341.83972	0.5
345.16876	1.1
353.14029	0.5
354.09171	0.6
371.15082	8.6
385.00272	0.5
401.14453	0.7
503.24969	5.2
504.25839	0.5
525.19781	1.7
527.03375	0.5
544.58093	0.5
550.56940	0.5
563.17603	65.5
564.17786	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	563.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06248	0.6
59.01368	1.4
67.01875	2.0
69.03445	1.2
69.21087	0.6
71.01379	2.5
71.40555	0.7
85.02951	8.9
87.00867	4.1
93.03455	13.5
99.04544	0.8
108.02152	3.9
109.02959	3.0
110.36476	0.7
111.04533	2.1
121.02953	2.0
122.03740	1.6
124.01661	2.3
125.02441	2.0
127.04005	2.8
132.02162	1.2
133.02946	2.6
134.03729	7.9
135.04523	82.3
136.05321	14.6
137.02411	1.2
150.03233	2.0
151.03984	5.6
155.03429	0.8
160.01659	2.7
161.02434	2.1
162.03217	2.4
171.02991	1.0
172.05249	0.7
173.04602	8.2
174.03160	1.4
175.04005	0.9
176.04918	0.9
177.01900	0.9
178.02693	2.3
179.02007	1.2
179.03499	17.7
180.04260	4.0
191.05606	100.0
192.05875	1.0
200.04750	2.0
202.02696	0.8
227.03532	1.7
228.04248	2.4
250.85356	0.8
252.63318	0.7
281.15384	0.8
281.94937	0.9
283.13309	1.0
290.07938	0.9
299.16516	1.1
307.08240	3.2
308.09018	16.5
309.14960	3.3
325.14374	1.5
327.15988	10.2
343.15540	3.2
345.16956	2.9
351.07144	2.3
352.07953	13.6
353.13904	4.9
371.14978	49.8
372.15262	1.3
389.15936	1.0
432.16415	0.8
545.20227	1.0
563.21283	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	563.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55627	0.5
57.03437	0.6
57.74717	0.4
59.01367	2.3
60.99293	1.2
67.01891	4.1
68.26640	0.4
69.03447	1.0
69.71728	1.5
71.01369	2.6
73.02942	0.5
80.00206	0.5
81.03452	1.0
83.05015	0.5
85.02948	9.2
87.00871	4.8
91.67913	0.4
93.03455	23.2
94.40763	0.4
94.86418	0.4
98.21899	0.8
108.02180	1.5
109.02954	2.0
110.62878	0.5
111.04517	2.9
113.02451	0.5
115.04001	0.5
121.02954	0.7
124.01655	1.2
126.03265	0.5
127.04036	2.6
129.01993	0.5
132.02173	3.2
133.02959	4.6
134.03743	5.4
135.04523	31.0
136.05310	5.6
137.02454	0.8
147.36641	0.4
150.03174	1.0
151.04013	1.9
155.03482	0.8
160.01653	5.0
161.02420	0.9
161.05844	0.5
161.69226	0.4
171.03004	0.8
172.05269	0.9
173.04546	10.4
174.03201	1.9
177.01923	1.3
178.02745	2.0
179.03496	6.7
180.04170	0.7
184.05334	0.8
186.12042	0.4
191.05606	100.0
192.05901	1.3
197.06012	0.7
198.06839	0.6
200.04810	0.6
211.13370	1.1
215.05579	1.5
221.54910	0.4
223.39542	0.4
227.03482	0.8
228.04276	1.2
237.16554	0.5
281.15463	0.8
283.13416	1.4
290.07974	0.5
299.16537	1.7
301.14520	0.5
307.08224	1.4
308.09045	6.1
309.15018	3.6
327.12299	0.7
327.16000	9.6
343.15402	0.7
345.16983	2.4
351.07190	6.3
352.07904	5.0
353.13766	1.6
371.14963	25.9
372.15277	0.9
389.16318	0.6
407.10422	0.7
482.81046	0.4
563.21326	23.2
564.21692	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86834	0.7
59.01372	1.9
66.31429	0.7
71.01389	1.4
73.02949	0.8
85.02955	12.1
85.12409	0.7
87.00871	2.3
93.03453	5.2
109.02908	1.0
111.04539	2.0
119.21883	0.7
127.03993	3.1
134.66434	0.7
171.03000	1.4
172.05289	4.0
173.04520	2.1
190.74881	0.7
191.05617	100.0
192.05887	1.7
197.06107	2.3
199.03995	5.2
200.04796	3.0
201.05539	1.1
211.03983	1.2
214.06422	0.7
227.03485	19.5
227.06889	1.0
228.04282	13.0
270.67780	0.7
283.10428	1.4
283.13406	18.8
283.16580	1.5
301.14383	5.1
309.14923	9.4
311.12915	4.8
325.14514	2.1
327.12476	1.5
327.15945	5.5
329.13898	4.1
345.17200	1.0
353.13931	7.8
371.14987	86.4
372.15225	3.9
492.27686	0.9
563.20935	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74809	0.3
57.03424	0.4
59.01379	3.2
61.98824	0.4
67.01860	0.6
69.03435	0.5
69.16609	1.7
71.01373	1.7
73.02949	0.4
78.00600	0.3
81.19533	0.4
85.02946	11.3
85.03459	0.6
86.16175	0.4
87.00881	2.7
89.02435	0.5
92.92986	0.3
93.03455	7.1
99.00851	0.4
99.04521	0.7
101.02428	1.0
109.02944	0.8
110.64819	0.3
111.04507	2.3
113.02396	0.3
127.03986	2.7
145.02921	0.4
147.04514	1.1
155.03473	0.5
158.03690	0.8
161.02449	0.6
161.51744	0.3
165.05556	2.4
169.78694	0.3
171.03151	0.7
171.04521	0.7
172.05301	4.8
173.02350	0.4
173.04556	4.7
173.05988	0.7
174.03218	3.1
180.05763	0.4
183.16841	0.4
191.05608	100.0
192.05972	1.3
197.06105	0.8
198.06813	0.7
199.04022	0.5
200.04909	0.4
211.07625	0.5
227.03493	1.3
228.04214	0.6
233.06650	0.7
237.16597	0.5
253.12213	0.4
253.16055	1.0
265.15991	0.7
281.15433	3.4
283.13422	2.5
283.17032	1.4
299.16528	0.6
301.14304	1.5
309.14954	17.2
310.15363	0.5
311.13031	0.4
311.36673	0.3
327.15973	11.0
328.16367	0.5
329.13907	6.9
335.12778	0.6
343.15475	1.0
345.17117	1.2
353.13889	6.0
367.15158	0.3
371.14978	46.3
372.15283	1.3
376.53436	0.4
503.25021	1.5
545.20276	5.7
563.22034	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	563.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
59.01378	1.6
64.85124	0.5
67.01881	1.6
69.03448	0.7
69.55939	1.0
69.56332	1.0
71.01379	1.9
81.03455	0.5
83.05035	0.9
85.02944	8.2
87.00870	2.8
93.03462	11.3
98.21933	1.0
98.84014	0.5
99.04501	0.8
108.02184	4.1
109.02956	2.3
111.00914	0.5
111.04523	1.9
121.02971	1.9
122.03703	0.9
124.01681	2.7
125.02462	1.6
126.03232	1.3
127.04001	1.7
129.01878	0.6
132.02206	1.5
133.02945	2.9
134.03732	6.5
135.04526	75.2
136.05321	13.5
137.02487	0.7
150.03195	2.1
151.04005	6.7
151.91849	0.5
155.59882	0.6
160.01659	2.7
161.02434	2.7
162.03238	2.3
171.02982	0.7
172.05272	0.7
173.04541	8.4
173.05969	0.7
174.03242	1.2
177.01904	1.0
178.02654	1.5
179.03491	16.9
180.04262	2.4
187.04033	0.6
191.05615	100.0
192.05960	1.3
198.06570	0.7
200.04756	1.1
202.02690	0.6
205.90231	0.5
215.05502	0.7
227.03528	1.2
228.04272	2.1
283.13483	0.7
283.17181	0.6
290.07886	1.0
299.16388	1.6
307.08319	3.4
308.09033	13.3
309.11899	0.6
309.14832	3.1
323.07492	0.6
325.14304	1.5
327.12366	0.9
327.15988	8.5
329.13586	0.6
343.15509	3.7
345.16995	3.1
351.07135	2.3
352.07962	12.0
353.09488	0.9
353.13934	4.7
371.14984	48.8
372.15228	1.8
389.15884	1.4
545.19641	1.0
563.21326	16.1
564.21552	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.9
59.01379	95.0
61.98824	2.3
69.03446	3.6
70.63628	2.2
71.01385	71.8
71.46450	2.7
73.02942	20.8
73.94774	2.0
78.32954	2.1
81.03449	3.1
82.13235	2.1
83.01405	5.7
83.90343	2.0
85.02947	20.1
87.00908	2.2
89.02448	100.0
93.03453	7.5
95.00205	2.3
95.01368	2.2
99.00882	22.7
99.04517	6.3
101.02444	56.8
110.20839	2.1
113.02448	18.1
119.03502	9.6
119.05053	2.0
121.03027	2.2
123.04533	3.2
125.02446	6.7
131.03505	21.8
133.02995	5.8
134.03680	2.8
135.04524	5.6
143.03496	3.4
145.03017	5.3
149.04553	92.2
151.00388	3.3
161.02426	22.0
161.04581	8.7
165.05629	6.2
167.03532	8.0
173.04529	8.8
179.03506	5.9
179.05536	2.4
181.78578	2.0
187.03995	3.2
189.12769	3.5
191.05624	64.7
191.07329	4.5
207.13943	7.7
210.60732	2.4
221.06665	7.3
251.07753	8.1
251.12933	14.3
269.04468	4.8
285.03851	2.1
293.08624	5.0
301.14499	2.5
311.09698	4.6
327.16165	3.1
345.16797	3.0
371.14966	15.2
371.20676	8.0
397.10794	2.5
431.19241	14.2
503.25037	59.5
563.15497	3.1
563.23907	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	563.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
57.03439	1.1
59.01380	39.8
61.98832	1.4
69.20930	1.6
69.21315	2.6
71.01382	30.8
73.02953	11.1
75.00904	1.5
82.06857	1.0
82.45937	0.9
83.01409	3.6
85.02940	11.1
87.00868	1.9
89.02440	30.9
93.03458	2.9
95.01395	1.9
96.96048	1.7
97.02983	1.4
99.00871	9.0
100.93392	1.0
101.02449	22.9
109.13549	0.8
109.54931	1.0
113.02459	10.1
115.03970	0.9
119.03479	6.1
125.02448	2.5
127.04018	2.0
129.86638	0.9
131.03508	5.4
133.03003	2.2
135.04564	4.3
143.03514	1.2
149.04558	11.6
159.02966	1.3
161.02486	7.0
161.04520	5.5
173.04579	2.1
179.03481	2.2
191.05614	48.2
233.06631	1.9
251.07756	1.8
261.39041	1.0
267.64526	0.8
269.04697	1.0
283.13394	2.4
293.08795	1.6
326.11209	1.0
327.16031	5.2
328.16196	0.8
330.22394	1.0
345.17166	1.5
348.71674	1.0
353.13763	1.1
371.14966	14.5
371.20715	5.8
372.14993	1.5
440.06430	1.0
503.25000	100.0
504.25317	4.9
563.19598	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	563.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40478	0.4
53.40670	0.3
55.01888	1.5
57.03428	1.5
59.01375	26.8
61.98826	10.4
67.01856	0.4
69.03445	1.5
71.01378	25.7
72.99300	1.1
73.02554	0.7
73.02941	9.6
75.00865	1.1
81.03459	0.8
82.95422	0.4
83.01379	2.7
83.05005	0.4
85.02946	12.1
87.00858	3.0
87.04515	2.0
89.02440	18.4
90.53300	0.3
93.03445	2.7
95.01370	1.4
97.02959	1.9
99.00874	9.5
99.04501	0.5
100.22910	0.3
101.02441	15.7
107.01447	0.3
109.02935	0.8
111.00858	0.4
111.04517	0.9
113.02444	6.0
115.03984	1.4
116.80916	0.3
119.03492	1.8
125.02449	2.5
127.04015	1.2
129.01837	0.4
131.03503	2.0
132.02025	0.3
133.02986	1.2
135.04517	1.2
142.41113	0.3
142.43297	0.3
143.03450	0.9
149.04567	1.9
151.00330	1.3
153.05527	0.4
155.03426	0.4
158.03844	0.4
159.02977	0.5
159.04413	0.6
161.02470	1.8
161.04500	2.0
173.04509	1.4
177.01866	0.7
179.03476	1.0
184.05241	0.7
187.03986	0.9
191.05603	45.5
192.05876	0.8
199.03958	0.5
200.04709	0.6
227.03574	0.9
228.04257	0.8
230.67763	0.3
233.06599	1.2
251.16315	0.3
256.10263	0.3
257.61868	0.3
283.13406	1.9
287.05554	1.0
301.14178	0.6
327.12341	0.5
327.15997	3.8
345.16913	1.3
353.13986	1.3
371.14963	16.2
372.15308	1.1
372.55844	0.4
387.23795	0.6
431.22818	0.9
503.25397	1.2
513.69666	0.4
519.28046	0.9
522.06506	0.3
545.19641	0.5
563.27112	100.0
564.27667	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	563.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30924	0.7
61.98819	0.6
68.29594	0.6
69.11925	2.1
69.12359	2.4
77.06019	0.5
78.16757	0.6
78.95905	16.0
96.96960	1.2
116.92886	1.3
126.38601	0.6
152.99582	14.2
153.11436	0.6
168.04260	1.4
171.00638	3.2
191.05528	0.9
224.06772	0.8
242.08061	2.6
245.04303	17.7
253.21736	7.5
267.01331	2.0
281.24854	100.0
282.25195	4.0
283.81857	0.7
286.04855	1.7
343.10883	0.7
481.25717	20.9
482.25970	1.2
506.32520	45.4
507.32654	2.2
563.34973	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84711	0.2
55.01867	0.2
57.03487	0.2
59.01381	5.2
61.98828	100.0
63.02390	0.3
65.00340	0.3
69.10798	0.5
69.11201	0.8
71.01378	3.0
73.02933	1.0
83.01394	0.4
83.02173	0.2
85.02956	0.5
89.02441	5.2
90.02772	0.2
93.03483	0.6
96.96007	1.7
97.02988	0.3
99.00881	1.4
101.02441	2.5
102.02769	0.3
107.01393	0.6
113.02461	0.9
116.92850	2.3
119.03555	0.6
119.05051	1.0
125.02428	0.4
128.43452	0.2
131.03514	0.9
133.02972	0.3
135.04573	0.2
149.04564	3.6
150.04939	0.4
151.00352	2.1
161.02486	0.8
161.04553	0.4
177.01965	0.3
179.03560	0.3
179.05699	0.2
191.05591	1.6
221.06787	0.4
229.79382	0.2
251.07767	0.2
268.03561	0.2
269.04529	7.5
270.04883	8.7
271.06140	4.5
476.13617	0.3
504.25903	0.3
505.26566	4.3
518.23761	0.2
551.58954	0.2
564.14545	0.4
565.20557	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
57.03445	2.8
59.01379	41.0
60.01720	2.4
61.98830	29.7
65.63111	0.5
69.03435	1.8
69.13992	0.9
69.14397	2.0
71.01382	34.5
72.01723	4.4
72.99319	1.0
73.02945	9.7
74.03276	1.7
81.03440	0.7
82.48080	0.4
83.01394	5.2
84.01719	0.8
85.02948	10.6
86.03291	1.6
87.00864	2.2
89.02444	21.7
89.28092	0.4
90.02779	3.1
95.01379	1.4
97.02938	1.8
98.03273	0.7
99.00834	2.3
101.02444	25.1
102.02790	3.6
111.00886	3.3
112.01225	0.7
113.02436	9.0
114.02811	1.5
115.04004	0.9
116.92845	0.9
119.03510	1.8
125.02422	2.5
126.02716	0.7
129.01901	0.5
131.03514	9.0
132.03845	2.0
143.03476	1.5
144.03839	0.6
149.04561	5.2
150.04913	1.1
159.02957	1.1
161.02432	0.8
161.04521	3.8
162.04884	1.0
191.05615	2.2
209.15503	1.5
210.15781	1.3
233.06665	2.2
234.06963	0.6
241.48076	0.6
269.04633	1.1
270.04846	0.9
293.08661	0.9
293.80618	0.4
294.09003	0.6
316.64676	0.5
328.34821	0.5
354.19980	0.7
366.18283	0.7
371.20712	3.5
372.21112	8.9
380.16855	0.5
382.28091	0.5
412.97910	0.7
419.94577	0.6
472.88989	0.6
503.25055	12.4
504.25323	100.0
505.25735	3.5
538.18872	0.5
564.20782	0.9
565.19659	0.6
579.10187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91188	28.7
69.83308	54.9
116.92840	100.0
137.02400	49.6
141.92331	33.5
189.68777	30.4
239.00737	34.1
254.88870	33.3
255.84294	28.7
328.92981	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60237	0.1
55.01869	0.2
57.03423	0.2
59.01376	5.1
60.01709	0.1
61.98832	1.5
70.26794	0.2
70.27143	0.2
71.01377	4.6
72.99325	0.4
73.02943	1.3
73.56737	0.1
78.95872	0.1
83.01389	0.6
85.02947	1.4
87.00870	0.3
89.02441	3.7
90.02790	0.1
93.60700	0.1
95.01420	0.2
97.02905	0.1
99.00866	1.2
99.92580	7.0
100.92577	0.2
101.02441	3.3
106.21054	0.1
111.00892	0.3
113.02439	1.4
114.93418	0.8
115.04018	0.2
116.02366	0.1
116.92857	100.0
117.92868	2.1
119.03501	0.2
120.95487	0.1
125.02457	0.4
126.22164	0.1
131.03485	1.2
135.04514	0.3
143.03500	0.3
149.04538	2.5
150.04924	0.4
155.03557	0.2
161.02440	0.9
161.04570	0.6
173.04631	0.2
176.04015	0.2
179.03499	0.2
191.05595	1.2
192.05952	0.3
193.95618	0.1
221.14066	0.1
269.07849	0.1
284.03238	0.5
285.04025	1.2
303.49408	0.1
311.09576	0.2
329.13934	0.3
330.14203	0.3
373.22485	0.7
433.24625	0.3
447.09369	1.2
504.25555	0.2
505.26501	7.3
519.24384	0.8
521.25916	0.2
522.26660	0.2
547.01666	0.7
565.21558	0.1
565.28906	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	565.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.6
61.98829	2.3
67.01888	3.0
68.55379	0.3
68.99819	2.2
69.03461	3.9
69.32395	0.7
69.32773	1.2
71.01385	6.6
73.02946	1.4
73.06667	0.3
77.00753	0.3
82.95408	0.4
83.01379	0.5
85.02962	2.2
87.00863	0.4
89.02447	7.1
89.03000	0.4
90.37863	0.3
93.03455	0.9
95.01365	0.9
95.05030	7.0
97.02944	0.4
99.00320	0.3
99.00889	1.4
99.04510	0.4
101.02449	7.1
105.03462	0.8
109.02936	0.6
111.00882	3.5
111.04514	0.4
111.50309	0.3
113.02452	2.3
114.90278	0.3
116.92876	1.4
117.03474	0.6
119.03527	1.8
121.02962	11.7
121.06578	0.6
123.04539	3.2
125.02458	0.3
127.04016	4.4
131.03494	0.4
132.02196	0.8
132.55698	0.3
133.02962	24.2
134.03798	1.7
135.04529	17.1
137.02472	0.7
137.06104	0.4
139.00375	3.8
139.04007	0.6
143.03563	0.4
147.04549	0.6
148.05232	0.4
149.02480	0.9
149.04532	1.1
149.06062	2.6
160.01671	0.5
161.02448	100.0
162.02824	2.1
163.04051	0.4
165.05539	2.3
173.04556	1.3
175.04025	0.6
177.05565	5.2
178.02814	0.5
179.03494	20.8
179.05486	0.9
181.05037	0.9
191.03764	0.4
191.05627	2.5
192.06024	0.8
193.06224	0.5
203.03513	1.2
221.04558	8.8
222.04980	0.3
223.06134	1.8
251.05594	9.2
252.05875	0.5
263.05585	0.4
281.06659	16.4
282.06918	0.4
323.07709	7.8
341.08783	17.1
342.08917	0.6
353.09018	0.5
371.09921	1.7
373.15329	0.6
373.22281	0.4
393.11871	3.9
403.12363	1.1
463.08820	2.0
489.14175	5.4
505.26511	12.3
529.13599	0.4
533.13086	4.9
547.14459	0.6
565.15607	17.9
566.15997	0.9
578.51068	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03476	0.5
59.01379	20.1
61.88592	0.5
61.98829	19.4
63.09267	0.5
65.27975	0.5
71.01377	14.1
71.43720	0.6
72.99301	0.7
73.02943	5.6
75.39590	0.6
83.01392	2.0
84.96546	0.6
85.02947	4.7
85.17384	0.6
87.00879	1.6
87.88488	0.6
88.09498	0.6
88.98788	1.0
89.02438	13.7
91.14562	0.6
95.01391	1.5
96.95997	2.1
97.02950	1.0
98.95614	0.7
99.00853	2.8
99.92580	7.6
101.02445	11.0
108.02179	1.7
109.02930	3.7
113.02464	6.6
116.92859	100.0
117.92873	3.1
119.03489	4.2
121.02931	1.5
122.03753	1.0
123.00880	1.1
123.04506	1.5
125.02470	1.9
131.03496	2.2
133.02940	6.0
134.03766	0.9
135.04555	4.1
136.05295	1.0
137.02489	0.7
138.03186	1.0
143.03491	1.2
145.02914	1.4
146.03729	0.8
147.04529	4.9
149.04532	4.0
149.05762	1.0
151.00371	1.5
151.04010	0.8
158.03700	1.5
159.04501	1.8
161.02455	18.7
161.04573	2.0
161.05934	0.6
162.03247	10.9
163.03967	2.2
164.04779	0.5
173.02390	1.9
173.05975	0.8
174.03214	3.0
175.04002	5.8
176.04807	1.5
177.05571	8.9
178.06303	1.2
179.03539	1.2
179.05533	1.2
179.07031	0.8
180.04230	0.8
188.04755	1.5
189.05566	2.9
190.06377	9.6
191.05560	4.0
191.07039	4.5
193.04999	2.2
194.05829	1.8
195.06532	0.6
195.90871	0.6
204.93718	0.5
205.08655	6.3
207.06543	1.3
208.07405	10.6
222.08908	2.3
227.07108	0.9
227.99489	0.6
237.05669	0.7
265.05011	0.8
266.05746	1.1
267.06516	1.7
269.04556	4.2
270.04950	3.5
271.05115	3.4
273.03925	0.7
281.08194	1.3
282.08881	1.9
283.06110	7.4
283.09293	1.2
285.03979	2.3
287.05615	1.3
293.08441	0.9
297.07742	2.8
298.08469	13.0
299.08936	1.0
313.10815	23.0
314.11224	2.5
328.09601	0.8
328.13129	13.3
329.13678	2.2
343.11658	1.0
344.12466	1.4
359.14984	61.7
360.15082	1.8
361.16418	1.1
373.22223	3.2
385.12943	0.7
403.09058	0.7
403.13992	12.7
433.24139	1.1
447.08960	1.8
465.51657	0.6
505.19531	0.9
505.26559	15.0
519.24097	1.6
523.21350	2.2
529.21863	0.6
547.27313	0.9
565.19067	44.5
565.28571	5.0
566.19531	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	565.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.1
59.01381	19.6
68.99819	1.5
69.72988	4.1
71.01380	12.7
73.02961	4.5
79.07034	1.2
83.01383	1.5
85.02956	15.3
87.00912	1.5
89.02446	13.8
93.03447	2.6
95.01378	3.7
97.02966	2.3
99.00882	1.9
99.74381	1.2
101.02430	9.4
108.02177	14.2
109.02952	8.4
111.00898	2.2
111.36971	1.3
113.02433	4.9
119.03448	1.4
119.05057	1.8
121.02939	2.8
122.03709	1.9
123.00880	2.6
123.04527	13.7
124.01653	3.2
124.97598	1.3
125.02402	2.0
128.34384	1.3
131.03535	1.9
133.02959	3.6
135.04498	5.1
136.01659	46.1
137.02478	1.8
138.03204	2.9
139.00291	1.6
139.04030	2.6
145.02934	4.7
146.03761	2.0
147.04546	8.7
148.01678	2.9
149.02446	3.6
149.04532	4.9
149.06142	1.5
150.03246	1.9
151.00407	14.2
151.04004	100.0
153.05592	2.6
155.03532	2.6
158.03711	2.4
159.04507	3.7
160.05318	1.6
161.02467	9.3
161.04623	2.6
161.05928	1.5
162.03194	7.3
163.04034	10.7
164.04800	1.8
165.05557	8.7
166.02704	43.1
167.03438	1.7
173.02434	9.0
174.03214	5.0
175.03972	14.5
176.04813	14.6
177.01895	1.7
177.05559	5.2
179.03448	3.2
181.05063	80.6
187.04016	1.5
188.04721	6.7
189.05554	3.3
190.06360	9.4
190.48109	1.3
191.01895	2.0
191.03528	23.7
191.05544	6.2
191.07101	21.8
193.05106	1.5
203.03488	3.7
205.05029	5.9
205.08694	4.9
206.05850	19.9
207.06696	2.3
208.07423	7.5
209.11743	1.3
216.04263	1.8
218.05853	1.8
219.06628	3.5
220.07494	3.1
221.04611	1.7
221.08176	29.2
223.06107	1.5
233.08240	1.6
238.06488	1.7
249.07658	5.2
251.09264	32.5
253.05121	1.7
254.05798	3.1
260.93121	1.4
266.05865	2.9
267.06671	1.3
277.05048	1.3
279.08820	13.8
281.04471	2.8
281.07693	2.0
282.05341	13.1
283.06027	3.5
285.04153	2.0
296.06848	3.6
297.07742	15.0
298.08383	4.8
299.09229	2.7
309.07593	5.4
310.04803	1.6
311.09283	8.9
312.10028	16.2
313.10895	7.7
314.11551	2.6
324.06387	1.5
324.09946	2.4
325.07288	3.9
326.11642	7.0
327.08768	2.5
327.12323	43.8
328.09427	3.3
328.13074	4.8
339.08792	3.9
339.12534	1.6
340.09515	12.0
342.11227	8.4
343.11798	8.3
355.11819	24.0
357.13434	63.2
358.13760	1.9
359.10788	2.4
359.14993	31.3
360.15335	2.4
373.13138	1.7
385.12817	3.8
388.11639	1.9
389.79306	1.5
403.13953	93.2
404.14139	3.8
449.19980	3.7
519.17273	1.3
519.24548	7.9
522.20270	2.3
565.17926	6.4
565.28143	4.8
576.32300	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	565.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60656	0.2
52.02176	0.2
54.44609	0.2
59.01380	1.2
61.98825	1.9
69.98064	0.2
71.01380	0.8
73.02940	0.3
74.04860	0.2
74.58331	0.2
77.03985	0.2
81.03469	0.4
83.01398	0.2
83.43014	0.2
84.09959	0.2
85.02932	0.4
87.00895	0.2
89.02446	0.7
89.03967	1.9
93.03466	0.4
95.05025	0.2
101.02451	0.6
105.03457	2.8
109.02935	0.2
116.92838	1.7
117.92824	0.2
123.04564	0.4
133.02957	8.7
135.04509	0.8
139.03986	0.2
139.11261	0.2
149.02426	1.1
152.01169	0.3
161.02411	1.2
173.04610	0.4
176.01144	0.5
177.01926	100.0
178.02322	1.6
179.03488	0.4
181.12270	0.2
183.10219	0.3
191.05580	1.5
192.05974	0.5
193.06097	0.4
222.81258	0.2
225.11253	0.8
243.12325	0.5
257.04532	0.3
279.05072	0.3
364.56088	0.2
371.14700	0.3
373.15634	0.4
387.16467	0.7
502.16367	0.3
505.17175	0.7
505.26138	1.0
547.17438	0.3
565.19202	13.9
566.19763	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.25039	5.3
61.43605	5.4
61.98836	10.8
64.52119	5.2
71.43248	6.3
80.39565	7.1
116.92853	100.0
125.18303	6.0
162.37711	6.0
254.62050	6.1
382.05453	6.8
495.22580	8.8
558.55951	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	566.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06063	0.2
54.20798	0.2
59.01378	0.4
60.34341	0.2
61.98830	100.0
70.07513	0.4
71.01415	0.3
73.29057	0.2
85.02979	0.2
96.58730	0.2
98.21925	0.2
100.41460	0.2
101.02467	0.2
116.92768	0.2
152.06424	0.2
161.02499	0.7
178.09431	0.2
249.48711	0.2
472.62045	0.2
506.25800	1.1
511.95679	0.2
519.24438	0.2
542.64722	0.2
566.39398	0.2
567.23926	0.3
579.40179	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.4
61.98830	100.0
67.99213	0.2
69.03466	0.2
70.93548	0.2
71.01392	1.6
73.02951	0.5
85.02953	0.6
86.95619	0.2
89.02440	1.5
90.02790	0.2
93.03477	0.7
95.09748	0.2
96.96066	0.2
99.00876	0.4
101.02435	1.1
102.02766	0.2
113.02477	0.5
116.92891	0.4
117.92885	0.4
119.03517	0.3
131.03505	0.2
133.02962	0.8
134.03763	0.7
135.04543	3.4
136.04944	0.2
136.07600	0.2
137.02492	0.2
149.04605	0.3
149.06105	0.5
161.02460	3.1
161.04486	0.2
162.02795	0.3
173.04553	2.2
174.04915	0.7
177.05507	0.9
179.03502	4.0
183.48981	0.2
191.05571	1.1
193.04990	0.4
221.04510	1.7
251.05606	1.7
272.09393	0.6
281.06674	2.2
285.04111	0.2
323.07602	0.3
341.08780	3.1
367.10397	0.6
368.10754	0.8
503.15799	0.8
505.26743	0.5
506.26602	2.4
523.34534	0.3
534.14471	0.3
566.23602	0.3
566.33246	0.2
567.25482	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.2
57.03435	2.2
58.00562	0.6
59.01379	44.1
60.01709	3.3
61.98831	44.1
68.83463	0.4
69.03449	1.1
69.18891	2.3
69.19289	1.0
71.01382	36.5
72.01714	4.4
72.99302	1.0
73.02950	9.7
74.03273	1.2
81.03445	0.6
83.01400	5.2
83.01844	0.9
84.01712	1.0
85.02946	13.4
86.03297	2.4
87.00866	1.8
89.02445	22.4
90.02785	3.0
93.01816	0.5
95.01371	1.8
96.96003	0.6
97.02940	1.7
98.22599	1.2
99.00867	3.7
101.02445	28.1
102.02789	4.2
111.00862	4.0
112.01193	0.7
113.02447	10.4
114.02762	2.4
119.03510	1.2
125.02429	1.9
126.02828	0.6
129.01921	0.9
131.03502	8.6
132.03842	1.6
136.16891	0.5
143.03514	1.8
144.03842	0.7
144.37512	0.5
149.04568	4.7
159.02943	1.3
161.02437	0.8
161.04549	5.5
162.04932	1.1
165.25784	0.4
184.43393	0.5
191.05539	1.2
233.06622	1.5
234.06989	1.0
293.08774	1.0
294.09094	0.6
356.21512	1.0
373.22192	5.8
374.22610	8.7
375.22867	0.6
481.93814	0.5
505.26544	18.8
506.26859	100.0
507.27130	2.1
575.47821	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34394	2.8
59.01379	29.1
61.98823	8.1
68.99852	2.1
69.03457	2.5
71.01382	20.7
71.45015	2.6
73.02952	2.9
75.00868	7.8
82.95396	3.2
83.01390	9.0
84.95110	5.9
85.02943	4.7
87.00869	23.3
87.29539	2.2
89.02441	12.4
96.96012	7.0
97.02926	4.2
99.00894	5.8
101.02449	11.2
109.02943	15.2
111.00869	15.5
113.02462	6.7
113.99567	7.1
114.99551	3.3
115.00364	52.6
116.92860	13.2
119.03525	2.6
121.02950	4.6
122.03757	4.4
123.04523	4.4
125.02410	4.1
133.02972	5.6
134.03748	2.5
134.89436	3.3
135.04515	12.2
137.02438	3.6
139.00357	19.3
139.04082	2.5
149.02438	7.8
149.04485	2.1
149.06100	5.4
150.03227	4.7
151.04080	4.2
155.03468	6.2
156.00664	18.9
157.01424	31.3
161.02435	15.1
163.03976	2.8
165.01868	2.6
165.05525	2.6
174.01727	27.9
174.03131	4.9
175.02478	46.4
175.03894	2.8
177.01910	3.5
177.05489	4.6
179.03416	4.5
179.05664	3.6
187.03937	4.8
191.03513	10.5
191.05577	3.9
193.05032	42.7
195.06528	3.2
196.97733	2.7
201.01917	3.6
203.03419	3.5
205.01398	4.3
205.04987	4.0
206.02243	5.0
206.05937	2.5
207.06624	17.3
215.03459	2.8
216.04378	2.4
219.06548	2.4
223.06038	4.9
231.06613	5.3
233.04565	28.6
234.05310	15.8
237.04012	2.6
247.06116	4.7
251.05606	8.9
275.05588	7.6
279.05362	3.5
279.08566	5.6
289.07187	10.4
306.20081	2.1
307.08209	100.0
308.00702	2.1
308.08734	2.4
309.06113	6.8
310.19089	2.4
323.10135	4.4
324.47919	2.2
327.12372	4.7
355.10242	4.0
375.14166	4.9
402.86224	3.0
413.11029	3.6
447.12079	5.3
451.12750	4.5
469.06995	4.6
469.13507	76.4
470.13824	2.3
471.11435	30.2
495.11292	4.6
504.14072	4.4
507.13843	5.3
513.12482	54.2
531.13440	5.8
567.17450	8.0
567.26062	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	567.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13541	0.4
59.01374	4.1
61.98829	2.5
65.03957	0.4
65.46769	0.4
69.12662	2.4
71.01381	4.8
73.02940	1.6
85.02948	2.0
89.02444	1.7
93.03458	39.7
95.01424	0.6
95.70893	0.4
99.00866	1.6
101.02454	3.4
108.02174	42.1
109.02969	10.0
113.02464	1.6
115.92038	0.5
119.05006	0.5
121.02969	0.8
123.04526	0.9
128.43993	0.4
133.02948	1.4
134.03703	1.0
135.04523	2.8
135.38257	0.4
137.02443	58.2
138.02782	0.8
151.03989	1.5
152.01151	81.2
153.01952	3.7
161.02490	2.8
161.04562	1.5
163.02757	0.6
163.03969	2.6
165.05443	0.5
168.16405	0.5
173.04643	0.5
177.01900	1.0
179.03494	1.7
191.05594	3.6
253.07301	0.6
315.07230	1.2
343.11798	0.5
429.10345	5.1
435.09167	0.5
444.96448	0.5
447.11441	10.8
503.16632	0.5
523.22162	0.6
523.35065	2.5
524.35211	1.1
535.18146	1.0
566.28656	0.7
567.13519	100.0
568.13800	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	567.1715
Annotation	Caudatoside E
Peak:m/z	Relative Intensity
50.90113	0.5
58.89262	0.4
59.01377	12.9
59.26014	0.5
61.98827	2.1
69.27602	0.4
71.01374	8.3
72.99303	0.5
73.02942	1.2
77.58290	0.4
83.01370	0.6
85.02967	1.7
87.00875	1.9
89.02435	8.6
89.03979	0.4
95.01369	0.9
99.00867	0.6
101.02412	4.7
105.03490	0.6
105.80248	0.4
106.48617	0.5
108.02178	0.7
109.02943	0.5
111.48074	0.4
113.02444	2.5
117.03448	1.3
119.03490	2.6
121.02975	0.6
123.00874	0.7
123.04541	0.8
132.02180	1.5
133.02950	36.9
134.03761	3.1
135.04521	23.3
136.01697	0.7
136.04903	0.5
137.02426	3.6
138.03304	0.6
143.03474	0.6
146.03748	1.2
149.02451	1.9
149.04912	0.6
149.06081	3.2
150.03168	0.5
151.04012	0.9
155.03540	1.0
159.04440	0.5
160.01637	0.8
161.02437	100.0
162.02824	1.6
164.04800	0.5
165.01927	2.1
173.65321	0.5
175.04041	3.0
177.01929	12.7
177.05539	7.3
178.02698	4.9
179.03493	20.2
179.05534	1.2
179.07027	1.0
180.04207	1.1
191.05627	1.1
191.07166	0.9
192.04268	4.1
193.05029	6.3
195.02895	1.0
195.06586	1.3
207.06606	1.3
210.05380	0.9
216.96275	0.5
221.04533	6.7
225.07664	3.5
225.11241	0.8
235.06163	2.3
251.05617	5.6
265.07217	1.2
281.06635	10.1
295.08130	2.0
323.07867	0.9
341.08771	3.9
345.15607	1.1
355.10281	1.0
369.13333	2.1
373.11285	1.6
387.12820	0.9
397.11911	0.6
405.17847	1.1
549.16089	39.9
550.16412	1.6
565.83508	0.6
567.17041	20.9
568.17438	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35201	2.0
59.01374	5.5
61.98831	12.9
62.00056	1.6
63.26582	1.8
69.20891	9.9
71.01382	4.3
89.02454	2.6
93.03438	1.8
101.02429	3.1
108.02170	2.2
109.02956	47.1
116.92859	2.0
121.02962	4.0
123.04558	2.5
129.92969	2.0
133.02934	2.7
134.03716	4.2
135.04523	54.3
143.04962	2.0
145.02986	4.1
146.03732	35.2
147.04562	10.1
149.06136	3.6
158.03728	5.3
159.04515	25.0
160.05290	7.7
161.02518	3.6
161.06082	7.3
163.03920	2.5
172.05315	10.1
173.04622	2.6
173.06023	9.0
174.06812	5.1
174.75716	1.9
175.03973	3.8
176.04744	2.6
183.13879	2.0
185.06013	7.2
186.06870	4.4
187.03952	8.4
187.07658	4.1
188.04749	10.0
189.05568	29.5
191.03497	16.8
191.05197	2.5
196.05260	5.5
197.06114	9.4
198.06793	3.5
199.07800	4.2
200.04823	5.8
200.08394	1.8
201.01955	3.2
201.05580	6.3
202.02719	2.3
202.06346	3.6
203.03476	10.0
211.13387	26.5
213.05539	2.5
214.06332	3.4
214.73981	1.7
215.07191	3.1
215.10794	2.1
216.07907	4.4
223.07616	3.7
226.06371	8.8
264.07925	3.5
268.07324	11.6
269.11798	6.2
271.13333	10.8
278.09332	2.6
281.15414	2.0
283.13452	10.0
285.14944	4.4
287.12936	7.1
289.14398	4.3
292.07330	7.1
293.08307	3.0
295.13419	10.7
297.14941	3.1
300.07794	2.8
301.14383	14.0
306.08920	2.7
307.13397	2.4
311.12994	2.0
313.14459	17.3
318.08832	7.2
319.15536	18.3
321.14801	4.8
325.14410	11.9
330.14520	3.7
331.15494	15.5
339.15976	15.0
343.15381	5.6
351.16031	19.2
357.17130	13.4
369.17044	57.1
388.11426	1.8
389.17599	1.8
413.15973	8.1
415.49066	1.9
417.17096	19.2
435.17972	8.7
443.18539	17.9
461.19708	56.1
479.20728	100.0
480.20947	4.4
523.19391	8.8
531.28345	10.2
567.24933	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	567.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68404	1.4
59.01374	7.5
61.98829	12.3
66.43472	1.2
69.51456	4.9
71.01398	3.2
79.56971	1.6
80.43586	1.7
85.02973	1.7
89.02450	1.6
93.03467	3.0
98.22600	3.3
100.52937	1.4
101.02448	3.1
108.02163	4.3
109.02944	44.6
115.15289	1.5
116.92850	1.8
121.02963	2.4
128.82007	1.3
133.02948	2.5
134.03741	3.9
135.04530	49.2
143.05048	2.3
145.02982	3.5
146.03740	32.6
146.04851	2.5
147.04526	9.5
149.06071	2.3
151.00366	2.6
158.03760	4.5
159.04514	23.2
160.05324	7.2
161.02432	4.8
161.04872	1.5
161.06050	8.3
162.03198	1.5
163.04022	4.0
169.39583	1.5
171.04439	1.8
172.05382	8.0
173.04625	3.0
173.06078	8.9
174.03221	1.9
174.06892	4.6
175.04013	3.4
176.04843	4.8
179.03452	2.4
183.04622	2.1
183.25134	1.7
185.06100	5.1
186.06857	6.1
187.04036	6.7
187.07617	2.6
187.85429	1.7
188.04793	12.3
189.05585	27.0
191.03477	14.8
191.05484	2.2
196.05328	5.3
197.06062	11.5
198.06671	1.8
199.04111	2.5
199.07632	3.6
200.04822	4.9
200.08446	2.6
201.01935	3.1
201.05537	7.5
202.02716	3.5
202.06323	2.2
203.03558	9.8
210.06854	4.1
211.04022	1.6
211.13382	23.7
213.05649	3.4
213.09262	1.9
214.06448	1.8
215.07294	1.9
215.10844	1.7
216.07935	2.4
222.06831	2.0
223.00073	2.5
223.07658	2.4
225.05615	2.2
226.06337	10.5
231.04320	1.5
241.12231	2.4
255.14046	2.1
264.07745	2.5
267.06659	2.1
268.07349	12.4
269.11853	7.9
269.15411	2.8
271.13400	11.6
278.09442	2.2
283.13461	9.0
285.03952	2.7
285.15027	2.8
287.12933	8.1
289.14380	6.1
291.06644	3.8
292.07413	7.2
295.13351	9.8
297.15036	2.4
300.07895	2.4
301.14368	10.1
302.15002	1.8
306.08871	3.4
307.02161	5.2
307.13501	3.4
308.02982	3.9
313.14444	14.4
317.08151	4.2
318.08945	6.2
319.15509	18.5
321.14969	6.7
325.14429	9.4
329.14075	1.8
330.14850	3.4
331.15497	14.6
333.14990	2.5
339.15945	17.1
343.15448	7.4
351.16052	15.0
357.17130	9.3
369.17084	44.9
405.09235	3.2
413.16183	7.2
417.16867	15.7
435.18106	9.1
443.18591	12.1
461.19656	59.6
479.20749	100.0
480.21039	3.6
523.19757	10.0
531.27991	3.6
567.25122	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	567.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	25.6
61.98832	5.4
67.63478	0.7
69.03422	1.0
69.73331	2.1
69.73721	1.8
71.01025	1.0
71.01382	13.7
73.02944	5.3
75.00879	0.9
83.01354	1.4
85.02925	4.0
87.00870	2.0
89.02438	11.4
93.03420	1.0
95.01353	1.3
101.02451	8.0
108.02153	1.0
109.02911	1.6
113.02459	4.8
115.92070	0.9
117.03423	1.4
119.03468	3.7
121.02930	1.3
122.03696	1.3
125.02448	1.5
133.02953	26.7
134.03772	6.5
135.04529	73.6
136.04842	2.1
137.02382	3.9
139.03986	1.1
145.80991	0.9
146.03679	2.2
147.04549	1.5
148.05284	2.5
149.06084	15.8
150.03160	3.7
151.03944	2.0
152.01112	1.3
161.02446	100.0
162.02824	2.3
163.11246	3.6
164.04716	1.4
165.05513	2.4
170.86707	0.9
173.04535	1.1
175.03984	1.1
177.02016	1.4
177.05571	25.8
178.02617	1.8
179.03499	85.3
180.03760	1.0
181.12358	20.7
183.10106	1.8
189.05510	1.0
191.05542	4.1
193.06044	1.6
195.06566	2.4
203.03456	1.3
221.04549	35.7
221.06729	2.0
222.04681	1.3
225.11327	50.9
233.04457	1.2
251.03162	1.9
251.05606	30.7
265.78537	1.0
281.06659	45.2
282.06946	1.5
323.07666	2.9
325.07190	1.0
341.08737	41.1
342.08954	1.8
371.11002	1.7
373.15573	1.4
374.15533	1.4
375.15997	1.4
405.17664	59.3
406.17874	2.7
531.27686	2.4
567.20551	72.2
567.31891	2.9
568.21027	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	567.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04347	1.0
56.36721	1.0
59.01379	24.3
59.67990	0.9
61.98828	6.2
71.01381	12.0
71.45189	1.5
73.02934	3.7
78.66621	1.0
85.02928	4.3
87.00861	1.9
89.02438	13.1
93.03427	1.3
95.01379	1.8
101.02432	7.9
109.02980	2.6
113.02415	3.5
116.92867	1.4
119.03472	2.7
132.02167	1.2
133.02956	24.0
134.03786	6.1
135.04524	69.5
137.02414	2.6
148.05269	3.1
149.06053	11.0
149.93730	1.1
151.04175	1.3
161.02443	100.0
162.02812	2.2
163.11293	1.7
173.04514	1.1
177.05577	26.6
179.03497	80.3
180.03819	2.0
181.12344	17.6
185.87595	1.3
203.03442	2.4
221.04561	34.7
225.11331	38.5
251.05603	28.3
268.65234	1.1
281.06674	47.0
285.04022	1.5
305.06885	1.2
323.07605	3.7
341.08765	35.4
342.09128	2.2
405.17627	56.6
406.17874	2.3
429.69116	1.1
507.28085	1.8
523.21790	1.6
567.20752	62.2
567.30426	4.6
568.21118	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	567.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04347	1.0
56.36721	1.0
59.01379	24.3
59.67990	0.9
61.98828	6.2
71.01381	12.0
71.45189	1.5
73.02934	3.7
78.66621	1.0
85.02928	4.3
87.00861	1.9
89.02438	13.1
93.03427	1.3
95.01379	1.8
101.02432	7.9
109.02980	2.6
113.02415	3.5
116.92867	1.4
119.03472	2.7
132.02167	1.2
133.02956	24.0
134.03786	6.1
135.04524	69.5
137.02414	2.6
148.05269	3.1
149.06053	11.0
149.93730	1.1
151.04175	1.3
161.02443	100.0
162.02812	2.2
163.11293	1.7
173.04514	1.1
177.05577	26.6
179.03497	80.3
180.03819	2.0
181.12344	17.6
185.87595	1.3
203.03442	2.4
221.04561	34.7
225.11331	38.5
251.05603	28.3
268.65234	1.1
281.06674	47.0
285.04022	1.5
305.06885	1.2
323.07605	3.7
341.08765	35.4
342.09128	2.2
405.17627	56.6
406.17874	2.3
429.69116	1.1
507.28085	1.8
523.21790	1.6
567.20752	62.2
567.30426	4.6
568.21118	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	567.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06153	6.1
59.01391	36.3
59.01633	6.7
61.98828	84.2
71.01380	19.8
71.46769	8.3
78.15504	6.5
82.95398	8.2
85.02922	8.1
89.02444	22.7
93.03472	9.5
99.00870	7.1
101.02441	18.2
108.02157	6.3
109.02945	49.3
116.92816	7.5
123.42734	6.8
134.03740	7.2
135.04526	64.0
146.03743	31.0
147.04518	14.2
149.04628	6.6
159.04509	21.9
161.06099	9.6
171.58000	7.4
172.05330	11.0
174.06854	11.4
179.03510	7.7
183.13710	7.4
186.06815	11.1
187.04042	7.7
188.04761	13.3
189.05527	27.1
191.03487	9.5
191.05602	16.4
197.06049	14.6
203.03464	11.3
211.13417	19.4
226.06375	8.9
269.11786	11.2
271.13266	13.0
292.07431	8.4
295.13480	11.0
301.14246	11.4
313.14539	20.4
318.08945	7.3
319.15338	17.8
325.14301	10.6
330.14874	8.4
331.06049	11.8
331.15308	11.7
339.16074	21.8
351.16031	15.2
369.17264	49.4
375.04974	30.8
399.05191	7.9
413.15732	7.1
417.16760	11.4
427.38004	6.7
443.18549	16.3
461.19675	55.3
468.32867	6.8
479.20670	100.0
531.27966	72.9
538.42761	7.0
567.09271	52.7
567.25604	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14776	1.8
54.70489	1.5
55.01871	2.4
57.03434	2.6
59.01381	55.5
61.98825	16.5
69.03440	1.9
70.27108	1.9
70.27442	2.5
71.01384	32.8
72.99293	2.3
73.02955	12.5
73.91404	1.4
80.74097	1.6
80.91647	1.6
82.95394	2.3
83.01379	4.0
85.02955	14.8
85.07363	1.8
87.00881	2.2
89.02442	13.4
93.03439	2.4
95.01377	3.3
99.00869	5.0
101.02438	18.3
105.01941	3.2
113.02449	14.1
119.03458	4.3
121.02937	2.0
125.02465	3.0
133.02921	4.2
134.03680	1.8
135.04521	5.2
137.02411	3.1
149.04556	2.8
159.03050	2.5
161.02435	7.1
161.04500	9.8
178.02798	2.0
179.03485	3.7
191.05675	3.9
196.17296	1.8
200.35780	1.7
202.16389	1.5
211.13298	3.0
242.08147	7.9
243.08507	5.4
285.03970	2.2
323.07462	2.1
324.08044	2.8
345.30032	3.2
377.58398	1.8
399.23779	3.4
507.35364	100.0
531.28064	37.7
532.28217	2.9
567.25476	41.9
567.33606	7.6
568.25934	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	567.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	49.1
61.98831	45.1
64.31281	3.6
67.01891	5.3
69.03461	7.1
69.11280	15.1
69.11680	5.9
71.01378	40.6
73.02942	10.1
75.00862	4.1
76.61452	3.8
83.01404	6.7
85.02977	12.9
88.98827	9.9
89.02436	38.2
89.02836	3.2
93.03467	8.2
99.00896	8.9
101.02446	33.9
113.02465	10.2
119.03524	8.8
121.02971	14.6
125.02468	9.0
127.04022	13.1
131.03499	5.9
133.02948	24.3
134.03784	6.1
135.04536	50.7
149.04558	8.9
149.06149	5.6
161.02463	77.4
165.05501	3.8
177.05525	9.5
179.03525	30.7
181.12338	4.7
191.05612	13.0
221.04681	8.0
225.11360	8.0
233.06680	4.7
239.06766	3.8
244.07217	4.4
251.05576	9.1
281.06592	12.1
285.04208	5.2
285.19379	4.0
293.08817	17.2
341.08691	11.0
347.60226	4.0
390.63617	3.6
405.17624	13.5
421.13940	6.3
500.04251	3.9
523.18304	8.6
531.28284	57.7
567.25775	100.0
567.34210	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	567.375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23233	0.7
50.48244	0.7
50.74494	0.7
55.01882	1.7
57.03446	2.0
58.36140	0.6
59.01380	72.4
61.98830	27.8
69.03447	1.5
71.01385	23.7
72.99310	0.8
73.02947	10.5
82.95424	1.4
83.01396	4.0
84.10696	0.8
85.02960	12.6
86.31097	0.7
87.00878	1.2
89.02456	8.5
93.03472	1.2
95.01395	2.4
98.22649	1.3
99.00880	2.1
100.13293	0.7
101.01782	1.1
101.02448	21.1
108.02171	0.8
110.32110	0.7
113.02455	12.3
119.03481	1.8
121.02941	0.9
125.02406	1.1
133.02946	1.4
135.04526	2.8
137.09694	1.0
143.03526	1.2
155.10796	3.3
159.02995	2.3
161.02461	4.7
161.04543	9.5
173.04529	1.4
177.02022	0.9
179.03571	1.8
179.05560	0.9
191.05597	1.8
199.07538	0.9
209.11813	0.8
238.06763	0.8
241.10965	0.8
299.25723	1.1
345.30106	8.1
507.35367	100.0
508.35706	5.2
508.53433	0.7
523.16217	1.1
531.27917	1.8
536.45081	0.7
567.28271	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	568.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51379	2.3
58.39269	1.9
59.01371	21.3
59.71014	2.2
61.98829	44.5
69.03448	3.2
71.01377	16.3
71.43635	1.9
71.93294	2.0
72.01706	2.8
73.02946	2.7
75.31651	1.9
85.02956	3.7
89.02447	18.4
93.03467	3.4
95.01372	4.0
97.02964	2.8
101.02449	16.7
107.03722	4.7
108.02168	5.4
109.02953	3.5
113.02440	4.9
114.58080	2.2
119.03484	7.9
121.05357	17.6
122.06117	39.3
125.02441	5.7
132.04556	56.5
133.02916	5.4
134.03755	3.7
134.06085	5.0
135.00873	3.2
135.04527	13.9
135.06898	14.9
136.04890	2.7
136.07668	5.0
137.02399	3.6
138.05522	2.4
141.02040	2.1
141.30092	2.1
149.04802	5.7
149.06047	2.0
150.05502	4.3
152.01161	4.7
152.07172	100.0
153.01892	3.9
155.03319	2.7
160.04074	6.4
161.02449	17.5
161.04541	4.0
162.02788	6.5
173.04626	2.7
176.03519	21.7
177.05524	2.6
179.03484	9.6
179.05405	2.5
179.07043	3.2
180.03831	4.0
190.05057	12.4
191.05704	16.6
221.04620	2.5
221.06766	2.4
226.11745	2.5
236.09337	2.6
239.08160	3.1
239.11842	3.0
251.05563	2.5
251.08095	3.4
251.11813	3.2
279.07755	4.9
281.06625	4.7
282.07047	2.8
293.09076	3.0
295.10947	5.2
296.11780	2.7
297.12387	7.3
309.08511	2.3
312.11203	6.2
319.66733	2.2
323.10031	7.1
324.10739	2.1
325.11795	2.5
327.13440	3.6
341.11456	67.7
342.11905	3.0
355.12997	15.4
356.13754	51.5
358.11865	2.8
383.99139	2.4
388.12708	23.2
404.16583	2.5
405.17694	3.2
406.18033	7.8
459.11365	4.6
460.12088	6.2
460.18930	5.2
492.21332	17.9
504.17990	3.2
519.28705	2.6
524.24005	60.0
536.20325	21.5
546.32825	2.5
568.22839	81.9
569.23126	4.8
589.56934	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	568.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32172	0.2
59.01377	1.1
60.47116	0.2
61.98831	100.0
69.30831	0.9
71.01388	0.4
73.02960	0.3
76.69900	0.2
85.02979	0.4
89.02454	0.4
101.02473	0.6
131.96004	0.2
133.03047	0.2
135.04510	0.2
161.02483	0.7
161.04579	0.3
162.02800	0.3
179.03522	0.3
216.21446	0.2
375.23190	0.3
507.27618	0.5
508.27783	1.5
566.01593	0.2
568.25238	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39207	0.2
59.01382	1.9
61.98829	100.0
63.99242	0.2
69.03452	0.2
69.43253	0.3
69.43643	0.4
71.01374	1.3
72.01740	0.2
73.02966	0.3
76.73339	0.2
85.02968	0.5
89.02446	1.0
99.00988	0.2
101.01860	0.2
101.02425	1.0
109.34296	0.2
113.02474	0.5
121.03011	0.2
124.07748	0.2
150.03241	0.5
151.03915	0.2
165.05626	0.5
195.06706	0.2
212.06909	0.2
213.18236	0.2
246.99957	0.2
492.17041	0.2
506.26926	0.4
507.26999	1.0
508.27377	3.1
521.17944	0.2
568.20587	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	568.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66259	0.2
55.01856	0.2
57.03446	0.2
59.01378	0.8
61.01842	0.2
61.98830	100.0
62.79203	0.2
69.03487	0.2
71.01383	1.0
73.02950	0.5
78.95911	0.3
83.01389	0.2
85.02976	0.3
87.00884	0.3
88.98818	0.5
89.02452	0.5
93.03465	0.2
101.02462	0.8
103.04028	0.3
108.35995	0.2
135.04529	2.1
136.04890	0.7
150.03201	0.6
151.04089	0.2
161.02466	0.7
164.69484	0.2
165.05634	0.4
179.03487	1.0
180.03897	0.4
183.71826	0.2
191.05566	0.4
195.06772	0.2
220.03716	0.2
238.32779	0.2
285.04105	0.3
329.29346	0.2
508.27701	0.6
524.22345	0.3
525.35248	0.2
568.33990	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1505
Annotation	Tenuiphenone B
Peak:m/z	Relative Intensity
59.01371	1.8
59.42213	0.5
67.01877	0.9
69.11971	1.7
69.12402	1.8
71.01382	2.9
72.32850	0.5
73.02970	0.6
80.54774	0.5
81.03452	1.8
83.01383	0.6
85.02943	1.6
87.00880	0.7
91.01890	2.2
93.03455	1.0
95.01387	1.0
96.96034	0.7
101.02425	2.3
101.39526	0.5
107.01388	4.3
108.02167	8.3
109.02952	1.7
111.00876	1.7
113.02426	1.6
121.02935	1.4
122.03753	3.4
123.00869	1.3
123.04529	9.7
125.02427	2.3
133.02966	0.7
135.04509	0.9
136.01648	1.2
138.03204	0.9
139.00385	1.3
150.03223	27.4
151.00378	4.0
151.03975	1.5
152.01158	13.6
153.01956	3.4
153.05548	2.5
163.03873	0.6
165.05565	34.1
166.02693	2.2
167.03493	25.5
181.05008	1.1
191.05568	1.9
196.00072	0.7
209.04604	0.6
211.02457	3.4
237.52733	0.6
296.05353	2.5
297.06061	1.0
311.07709	5.2
340.03949	0.6
355.06696	2.3
554.13000	0.8
569.15076	100.0
570.15216	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	569.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46643	0.9
54.03925	0.9
55.01898	1.1
58.00577	0.9
59.01379	66.4
69.29399	4.4
71.01381	36.3
73.02927	1.7
78.79380	0.9
83.01365	1.9
83.87354	1.1
85.02953	6.7
87.00874	2.1
89.02441	47.8
95.01346	1.9
97.02945	1.4
98.21861	1.9
99.04548	1.0
99.92572	7.0
101.02440	18.8
107.05009	0.9
109.02972	1.7
109.06594	2.4
113.02448	14.6
114.93392	1.1
116.92862	100.0
117.92877	1.1
119.03505	20.4
123.04533	4.4
125.02409	0.9
131.03497	2.2
133.02972	4.0
134.03728	1.6
135.04535	17.6
136.01688	1.4
143.03513	3.3
145.02989	2.4
149.04666	1.8
149.06058	3.6
150.03198	1.5
151.04001	1.8
151.07594	2.8
161.02451	21.4
161.04410	4.6
162.03229	18.1
165.05548	2.7
167.03484	1.5
171.10629	1.1
177.04025	1.3
177.05573	22.4
179.03497	24.8
179.05603	12.3
180.04318	1.0
181.05057	5.9
191.05615	1.6
195.06648	3.8
196.07352	2.8
197.08258	1.0
203.03479	1.3
211.09715	2.9
221.04549	11.3
227.09265	2.8
251.05588	13.5
262.46442	1.0
281.06668	19.3
323.07800	1.5
341.08847	19.5
407.15372	1.2
434.88116	1.0
478.08722	1.0
521.20331	1.9
569.18927	2.1
569.28650	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
57.03438	0.6
59.01381	17.4
61.95341	0.4
69.03457	0.6
69.30710	1.1
69.31094	1.3
71.01382	11.4
73.02950	2.9
75.00862	0.8
83.01374	1.8
85.02955	5.4
87.00878	1.1
88.98830	0.8
89.02448	7.9
90.02766	0.8
93.03452	1.5
95.01385	1.1
95.05025	0.7
97.02960	0.8
99.00880	1.1
99.92587	7.8
101.02441	9.5
103.01496	0.6
105.01949	1.6
108.02158	0.7
109.06606	0.5
111.00859	0.9
113.02486	3.2
113.97641	0.5
114.93417	1.1
116.92863	100.0
117.92886	1.6
119.03503	3.3
121.02966	2.1
121.06562	0.6
122.03745	4.6
123.04565	2.7
131.03534	0.6
132.02200	0.7
133.02951	3.0
134.03748	1.8
135.04524	7.5
136.01694	0.6
137.02429	0.6
145.03030	0.6
147.04440	0.7
149.02443	11.8
149.06081	2.4
150.03223	31.7
151.03970	1.1
161.02443	9.4
161.04559	1.5
162.03236	2.8
163.03906	1.1
164.04863	3.0
165.05571	27.6
167.03502	0.5
173.04669	0.6
177.05606	5.3
178.05940	0.5
179.03505	9.8
179.05606	1.7
180.04253	2.2
181.05087	2.1
191.05568	2.5
195.06625	15.9
196.07362	2.5
209.08133	0.7
211.09789	3.3
221.04547	4.8
227.09290	1.4
251.05594	4.0
281.06671	7.3
323.07483	0.6
341.08701	6.9
344.12772	0.9
358.12466	0.8
359.15021	5.1
373.15033	13.0
509.25610	0.6
521.20288	46.5
522.20361	1.8
569.22357	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	569.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15446	1.9
55.01897	2.4
59.01380	49.4
61.98829	4.9
69.03465	2.6
69.20405	10.9
71.01389	37.0
73.02943	11.6
75.00893	2.9
77.00235	2.2
83.01392	6.1
85.02963	17.5
87.00864	4.9
88.98809	5.6
89.02448	24.2
93.03458	3.9
95.01389	2.7
96.96004	3.5
97.02961	4.4
99.00889	4.9
101.02450	35.7
108.02207	3.3
109.02914	2.2
113.02449	15.3
119.03489	7.0
125.02463	2.4
135.04535	4.6
143.03439	2.3
150.03177	5.3
151.03905	2.8
159.04486	4.9
159.71439	2.0
161.02451	5.6
161.04567	7.6
164.21042	2.2
165.05563	4.6
171.10326	2.2
173.04492	2.7
179.03520	2.8
179.05602	6.8
185.05946	3.0
186.06940	2.0
191.05629	42.0
209.11833	10.8
225.11186	3.3
227.12866	7.0
239.07176	2.8
265.05060	5.3
341.10910	14.1
347.17108	100.0
389.18445	2.7
391.23071	2.3
407.18134	2.7
457.11346	6.8
509.22363	17.6
523.27466	27.0
569.16254	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	569.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
57.03447	0.4
58.60252	0.2
59.01379	21.0
69.03464	0.3
69.14034	0.4
69.14445	0.7
71.01380	10.9
72.99297	0.2
73.02940	0.9
75.00870	0.5
81.03445	0.2
83.01406	0.6
85.02958	2.2
87.00877	0.9
89.02444	15.6
93.03505	0.2
95.01405	0.6
96.96007	0.4
99.92584	7.0
100.92635	0.2
101.02439	5.4
108.02193	0.3
109.02969	0.4
109.06577	0.5
113.02446	3.9
114.93398	0.3
116.92861	100.0
117.01947	0.4
117.92882	2.3
119.03505	5.7
119.04887	0.2
121.03004	0.2
122.03727	0.5
123.04561	1.3
125.02428	0.3
131.03502	0.7
133.02948	1.4
134.03767	0.5
135.04532	5.0
143.03510	1.0
145.02939	0.6
147.04495	0.2
148.05301	0.3
149.02454	0.4
149.04521	0.6
149.06079	0.9
150.03233	1.9
151.04041	0.5
151.07678	0.4
161.02452	5.8
161.04495	1.3
162.03221	5.3
165.05573	2.0
167.03558	0.5
177.05579	5.9
179.03520	7.0
179.05595	2.9
180.04175	0.3
181.05058	2.0
191.05652	0.8
195.06639	1.7
196.07397	1.5
196.80156	0.2
205.41130	0.2
211.09813	1.1
221.04564	3.0
227.09303	1.0
251.05600	3.1
281.06653	4.4
293.31012	0.2
341.08789	5.1
341.12747	0.4
342.09317	0.3
357.11880	0.3
359.15213	0.2
373.15250	0.6
521.20184	1.7
569.18658	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29403	0.2
56.66522	0.2
59.01373	0.9
61.98830	100.0
69.26450	1.0
71.01392	0.4
73.02942	0.3
85.02967	0.4
85.69693	0.2
89.02460	0.2
101.02451	0.6
104.92197	0.2
113.02443	0.3
114.01349	0.2
118.42255	0.2
133.02875	0.2
139.05147	0.2
146.40585	0.2
161.81946	0.2
182.30074	0.2
199.67944	0.2
234.80344	0.2
309.45816	0.2
509.29099	0.2
510.28934	1.6
523.22241	0.3
524.22473	0.3
554.18878	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55175	0.2
59.01371	0.9
61.98826	100.0
62.98517	0.2
68.99809	0.2
69.03448	0.4
69.30104	0.9
71.01373	0.8
73.02937	0.2
83.01395	0.2
85.02946	0.4
89.02444	0.3
93.03452	0.2
99.00882	0.2
101.02446	0.4
113.02440	0.4
113.65852	0.2
133.02974	0.3
135.04503	0.3
150.03261	0.6
151.03972	0.2
155.10748	0.2
161.02469	0.7
161.04543	0.2
162.02844	0.2
165.05632	0.5
179.03595	0.3
183.06625	0.3
191.05698	0.3
195.06522	0.2
236.91974	0.2
285.03821	0.2
294.28030	0.2
341.08923	0.2
509.28888	0.4
510.28900	1.6
557.00751	0.2
570.18451	0.2
571.20599	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08351	0.9
57.03431	0.9
57.35347	0.7
59.01369	2.4
61.76828	0.9
61.98841	5.8
62.34044	0.7
69.94559	1.5
69.94949	2.0
71.01378	0.9
78.95910	7.6
91.38548	0.8
91.48890	0.7
112.61917	0.8
113.09735	1.4
114.35486	0.8
152.99529	1.3
168.04312	2.4
176.43665	0.8
195.13904	20.3
224.06972	1.0
242.07927	4.3
277.21732	17.8
295.22769	100.0
296.23102	3.6
353.16541	0.9
520.30432	99.1
521.30792	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	570.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12138	0.1
56.23927	0.1
59.01377	1.1
61.98832	100.0
69.03461	0.3
71.01382	0.2
73.62691	0.2
85.02969	0.2
98.22710	0.2
101.02476	0.4
101.09119	0.2
113.02494	0.2
123.16099	0.2
133.03014	0.3
134.03737	0.2
135.04532	0.5
161.02438	0.5
179.03488	0.2
191.05655	0.2
217.06656	0.5
269.04648	0.3
285.04092	0.2
309.03455	0.2
447.33807	0.2
510.36420	0.3
525.19275	0.2
552.08881	0.2
575.53015	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22548	0.1
51.71221	0.1
56.19004	0.2
59.01369	0.8
61.98829	100.0
62.98542	0.2
65.53365	0.2
66.42501	0.2
69.62711	0.4
71.01404	0.3
73.02965	0.2
82.95463	0.2
85.24535	0.2
89.02417	0.3
93.03452	0.2
98.22561	0.2
101.02483	0.4
110.10413	0.2
126.15839	0.2
127.44314	0.2
133.03000	0.4
135.04485	0.3
136.92937	0.2
161.02414	0.7
179.03506	0.2
191.05638	0.4
269.04544	0.4
285.04190	0.5
309.75961	0.2
387.67429	0.2
532.28436	0.3
570.25989	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.9
61.98828	1.6
69.22490	1.7
71.01385	4.3
71.05042	0.6
73.02940	1.5
83.01356	0.5
85.02944	1.2
87.00855	0.8
88.98831	0.5
89.02446	2.0
95.01425	0.6
101.02423	3.1
105.49801	0.5
113.02451	1.5
113.59198	0.4
117.03481	1.2
121.02969	0.8
125.02390	0.5
131.69888	0.5
132.02155	2.1
133.02954	34.4
133.12198	0.5
134.03679	1.5
135.04527	11.2
137.02295	0.5
139.03938	0.6
145.00940	0.5
145.49423	0.4
150.03224	1.0
161.02440	100.0
162.02797	1.9
165.05571	0.9
169.08711	1.0
177.05533	0.9
179.03499	7.1
181.04889	0.5
281.06784	0.7
349.12900	1.3
351.76752	0.4
383.09930	0.7
571.20282	72.7
572.20538	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	572.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90223	0.4
61.98830	100.0
63.34898	0.4
66.54274	0.5
67.65419	0.4
71.45557	0.7
87.12720	0.4
97.17639	0.5
104.87373	0.4
161.31334	0.5
165.38478	0.4
191.05756	0.5
207.20654	0.4
285.04190	0.8
404.09973	0.4
419.90341	0.4
509.17877	0.6
571.95526	0.6
575.55243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82493	1.2
59.01377	14.9
60.32742	0.9
61.98834	1.8
67.35484	1.2
69.03453	20.4
71.01382	8.0
82.95371	1.7
85.02967	1.5
87.00880	1.4
88.98836	1.5
89.02436	8.6
89.99490	1.2
90.46936	0.9
95.05022	10.0
96.96008	4.2
99.04527	3.9
101.02444	4.4
107.05037	5.0
113.02451	14.0
116.92914	1.0
119.03514	3.0
125.06068	2.3
134.02531	1.2
135.04565	1.2
151.07683	3.8
165.05542	1.4
169.08691	9.4
191.05653	1.5
197.02269	1.4
213.07674	24.1
375.12927	100.0
376.13379	1.8
537.25696	2.0
573.15619	22.9
573.23016	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	573.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55333	3.0
56.90069	2.8
59.01380	100.0
61.98824	6.6
69.03456	4.4
69.17020	10.6
69.17424	8.3
71.01378	47.8
73.02952	5.8
82.95412	11.7
85.02948	9.1
88.98821	15.1
89.02441	63.4
93.03441	3.0
93.29457	3.2
96.96001	45.2
99.77409	3.2
101.02457	32.0
108.02183	3.0
109.02901	3.8
112.23471	3.0
113.02454	18.8
114.93417	4.5
116.92866	10.4
119.03504	19.2
131.03514	5.4
135.04530	4.3
136.01749	5.4
142.05077	4.2
143.03543	4.6
149.04605	5.1
150.03276	7.0
151.04001	6.0
161.02429	9.3
161.04594	7.3
165.05569	6.6
165.37598	3.4
167.03532	6.0
179.05637	34.4
189.05566	6.0
191.05644	4.7
197.08185	7.1
247.47696	3.2
297.11240	5.1
311.07455	4.4
324.10156	8.0
327.12335	12.7
339.12317	50.1
357.13345	8.5
375.14941	6.6
513.25629	26.0
519.18591	4.1
537.19360	62.7
537.25061	8.5
538.19843	6.1
544.92511	3.5
573.22705	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	573.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.4
58.73629	1.1
59.01379	50.7
61.52886	1.1
61.98825	2.1
67.01892	13.3
68.99815	12.4
69.03451	16.3
69.27122	5.9
71.01381	21.6
71.05013	1.4
73.02960	4.7
82.17774	1.2
83.01422	1.6
85.02969	3.6
89.02441	21.7
92.05070	12.7
93.03512	1.8
93.05403	1.1
94.02975	9.9
95.05046	4.1
96.96066	1.6
97.06599	3.3
99.04516	2.1
101.02443	27.3
101.03082	1.7
105.03458	1.3
107.02668	1.2
113.02438	6.7
116.05058	7.4
117.05577	1.9
119.03490	7.4
121.02963	2.1
122.02483	52.3
124.04062	6.6
127.04013	25.2
133.02969	3.7
135.03558	1.0
135.04573	4.1
141.05637	2.4
142.06615	11.5
144.04576	2.8
147.04614	3.5
150.03255	2.1
151.04025	1.1
155.07220	4.7
156.08243	3.4
161.02444	14.2
161.08232	1.3
165.05611	2.1
167.06129	7.3
168.08406	1.3
168.10089	1.3
169.07709	72.5
169.52980	1.2
170.08214	1.4
171.10315	1.9
179.03497	2.9
179.07196	1.4
180.06741	6.4
181.07755	2.2
183.09206	9.0
185.10820	13.8
189.51323	1.2
193.07681	1.7
195.09351	2.4
204.04457	1.3
213.06731	8.0
215.09209	7.9
219.09456	2.0
219.14029	1.9
221.10947	1.2
235.08878	3.1
237.10419	3.3
247.08678	5.7
247.12563	4.1
248.09645	2.5
249.08148	1.4
249.10265	6.9
263.11868	3.4
265.09802	19.6
273.10501	1.9
275.12082	3.7
276.10321	1.5
279.11362	17.2
281.13077	1.4
287.11969	1.3
289.10379	1.9
289.13620	5.9
290.11774	1.6
291.11493	1.8
293.09158	1.2
298.58102	1.1
299.11835	5.6
309.08832	10.0
317.12921	67.4
318.13403	3.2
323.07513	3.0
331.14490	17.4
335.14133	1.7
349.15555	100.0
350.15939	3.6
351.13571	3.5
359.43359	1.2
361.11957	5.1
379.13174	1.9
393.14532	43.5
393.19412	2.5
411.15842	2.3
511.21155	1.2
537.33160	2.4
541.18427	6.3
573.21564	45.7
573.30420	3.4
574.21759	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	573.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51782	0.4
57.03449	0.5
58.00583	0.5
59.01378	36.9
67.01890	4.5
68.99812	2.7
69.03458	3.1
71.01380	17.1
71.05010	0.7
72.00906	5.8
72.99313	0.7
73.02964	0.5
74.02477	1.6
83.01386	1.0
85.02941	3.4
87.00888	0.6
89.02444	14.8
90.76507	0.4
92.05058	6.4
93.03498	0.4
94.02988	1.7
95.01379	1.3
95.05043	1.4
96.17707	0.4
100.00379	0.5
100.04044	9.2
101.02447	11.2
107.05017	0.4
113.02440	5.5
116.05067	18.6
119.03501	5.3
119.04984	0.8
121.02953	1.4
121.06621	0.5
122.02483	5.2
123.04507	0.9
124.04043	1.9
127.04010	5.5
130.06589	0.9
131.03529	0.7
134.03725	0.7
135.04529	0.9
136.03996	0.4
142.06624	27.2
143.03485	1.0
143.06987	0.6
144.08208	1.2
146.06084	0.5
147.04474	2.5
148.04044	5.8
149.04633	0.5
149.06071	0.7
153.05811	0.8
154.06657	0.6
155.07368	0.8
156.06911	2.5
156.08183	6.3
157.07727	1.4
158.09753	1.4
160.04041	1.7
161.02449	0.5
161.04720	0.6
161.06078	0.5
162.05606	1.4
165.05527	0.7
166.06645	2.1
167.06146	14.7
168.08185	6.9
169.07709	22.6
170.08200	0.6
171.09283	0.6
174.05592	2.6
179.05704	0.6
179.07201	1.5
180.06873	0.8
181.07484	3.3
182.08437	0.9
183.09264	5.1
185.10832	15.2
193.07643	0.8
195.09349	0.7
206.04614	1.5
211.08810	0.6
212.07233	0.6
213.06700	1.2
217.07677	0.5
219.09312	0.9
229.09804	20.1
235.08771	1.2
237.10332	0.9
246.09279	0.6
247.08801	1.5
247.12474	0.9
263.08215	0.5
265.09836	6.0
265.13113	0.7
271.12375	1.3
273.13992	0.5
274.08615	0.6
279.11407	2.9
287.12006	0.7
289.13565	2.1
290.11899	0.6
297.10370	0.5
299.11966	2.2
300.10101	0.5
309.08856	2.4
315.11456	1.0
317.12927	21.0
318.13315	0.9
323.10391	0.8
331.14505	9.2
333.12341	0.6
349.15680	3.7
351.21942	0.5
361.11914	23.9
362.12308	0.8
375.13376	3.6
393.14554	100.0
394.14792	4.5
541.18469	1.2
573.20959	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	573.2917
Annotation	Tricalysioside O
Peak:m/z	Relative Intensity
53.16552	0.8
55.01868	2.2
59.01379	60.1
60.97515	1.2
61.98835	5.1
69.03459	1.4
69.15056	2.3
69.15472	4.5
71.01383	43.8
71.52182	0.9
73.02940	8.6
83.01379	3.4
85.02950	11.4
87.00890	2.9
89.02442	34.3
93.03421	1.2
95.01385	3.5
96.96004	6.1
97.02950	1.0
97.06567	1.0
99.00898	1.8
99.04552	1.3
101.02444	29.9
113.02448	19.7
116.92892	0.9
119.03496	12.2
121.02915	1.1
122.02486	2.6
125.02434	2.2
131.03481	1.3
133.02962	3.5
134.03740	1.3
135.04506	3.2
137.02458	1.2
141.09204	1.4
142.70111	1.0
143.03488	3.8
143.07159	1.6
146.06105	1.2
149.04608	1.4
149.05977	1.8
151.04016	2.4
151.90808	1.0
153.05519	1.2
155.03452	1.2
159.03079	1.0
161.02460	6.7
161.04561	14.7
161.05894	1.9
165.05573	2.0
173.04472	1.2
173.06030	1.3
177.05522	1.5
179.03487	3.6
179.05568	9.8
181.05135	1.4
183.05704	1.0
185.08133	1.8
187.04085	0.9
191.05565	3.1
195.06543	1.1
219.06688	1.2
249.07675	1.0
279.07706	1.8
313.18256	1.1
323.07684	1.5
333.20682	2.1
351.21756	35.5
395.21146	1.5
511.17548	3.0
513.27026	100.0
514.27203	3.5
529.19537	1.7
537.16522	1.3
537.25378	1.5
551.12048	1.0
573.21893	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	573.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86063	0.3
59.01379	18.0
69.15015	1.7
71.01381	3.5
72.99300	0.3
73.02943	1.0
83.01405	0.4
83.05022	0.4
85.02948	0.8
87.00854	0.5
89.02440	3.0
96.96035	0.5
101.02436	3.2
109.42789	0.3
113.02451	1.2
119.03504	0.9
131.03473	0.4
133.05093	0.4
157.05061	0.3
161.04533	1.1
179.05641	0.4
235.08229	1.4
253.09277	15.6
268.37271	0.4
277.21716	100.0
278.22083	3.2
380.34659	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20041	1.2
53.59793	1.5
59.01378	14.7
61.98832	2.0
69.08059	1.4
70.07034	2.2
71.01383	7.6
89.02448	5.6
91.29815	1.3
92.92795	1.2
94.92517	3.7
94.98028	1.2
96.26186	1.2
98.02403	1.3
101.02457	5.4
104.92045	1.3
113.02435	2.3
209.39601	1.3
253.09270	24.7
277.21722	100.0
278.22110	3.1
399.47491	1.4
573.28583	2.5
574.21143	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	573.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	15.5
59.49019	0.5
61.98821	1.4
68.37720	0.6
71.01376	3.0
73.02946	1.1
76.80431	0.6
78.95916	1.6
80.69736	0.6
85.02940	0.9
89.02449	2.7
96.96004	5.6
100.25821	0.7
101.02438	2.6
113.02433	1.4
119.03505	0.8
152.99617	0.8
161.04552	1.3
207.37048	0.6
235.08310	1.3
253.09297	13.8
277.21725	100.0
278.21982	3.2
334.62000	0.6
531.36853	10.8
573.37683	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78327	1.6
57.03439	1.9
59.01366	5.6
61.98800	2.9
69.99791	3.2
78.95904	14.0
80.02718	1.7
97.02962	2.9
97.06569	3.3
103.01485	3.0
111.08160	1.7
123.04566	2.9
125.09675	5.2
135.08153	3.5
137.09717	2.4
141.05612	3.0
143.07169	2.5
151.11266	2.5
152.99586	2.2
153.09251	9.5
163.11267	5.9
167.10747	12.5
171.10286	12.1
185.11819	8.7
186.86594	7.7
188.86172	2.8
191.14403	8.4
195.10233	2.5
207.10252	4.2
208.79620	1.7
209.11800	5.1
225.11386	3.0
242.89168	6.4
245.19092	18.8
247.17036	5.7
262.89935	1.9
265.18112	43.5
266.18311	2.2
269.35959	1.6
279.23215	2.7
289.14893	3.6
289.18106	74.8
290.18372	3.2
303.18417	1.8
307.19156	100.0
308.19391	2.8
325.20157	31.3
500.12967	2.6
513.36102	3.6
537.35748	3.8
552.18970	1.5
555.36700	4.9
573.16656	4.9
573.30963	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	574.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18095	1.0
61.07155	1.0
69.07055	3.2
69.07460	2.8
76.20218	0.9
78.95896	1.1
83.59739	1.1
91.26929	0.9
94.92509	2.4
96.96009	2.9
99.92582	6.6
103.99938	0.8
105.26297	0.9
115.92075	3.2
116.92838	8.5
118.89967	26.5
119.90746	4.6
134.89441	7.1
168.99908	1.1
174.61266	0.9
278.31390	1.1
293.97324	0.9
302.51889	1.0
309.20557	1.4
456.35831	1.2
538.27332	7.6
574.25195	100.0
575.24866	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	574.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44462	0.3
52.99484	0.3
57.92670	0.3
59.01386	0.3
59.48764	0.3
61.20507	0.3
61.98828	100.0
64.42304	0.3
66.76299	0.2
67.95612	0.3
68.99819	0.9
69.64412	1.0
71.01379	0.5
83.78036	0.2
87.18536	0.3
89.02425	0.6
98.22679	0.4
99.00906	0.4
101.02450	1.5
110.32664	0.3
134.92305	0.3
148.05328	0.9
163.07608	0.7
185.20619	0.3
294.37823	0.3
332.54062	0.3
442.40356	0.4
505.17264	2.0
514.27264	0.5
531.28668	0.4
556.90479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06356	1.8
59.01383	3.6
83.01374	2.2
86.01581	1.8
87.72933	1.8
89.02410	2.6
89.14281	2.0
96.57803	1.7
98.21856	3.8
117.03464	4.3
119.05042	7.2
130.45799	2.0
145.02954	6.4
149.02432	3.9
151.00429	4.0
153.70317	2.0
161.02271	1.9
161.06027	3.6
163.03995	6.6
168.95090	1.8
177.05507	2.3
191.05585	4.6
205.04994	5.9
235.06081	5.0
265.07224	10.2
269.04532	100.0
325.09094	3.2
368.08826	2.0
440.45029	2.0
532.74768	1.8
574.32544	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	575.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78245	0.9
54.20499	0.9
59.01384	2.0
61.31743	0.7
61.98831	3.8
64.50071	0.9
67.79330	0.8
68.99818	32.9
69.03463	6.5
69.75922	2.3
69.76270	1.7
71.01361	4.4
74.76310	0.8
79.10786	0.9
82.02077	1.0
83.01417	1.4
85.02963	2.5
89.02525	1.2
91.01898	3.9
93.03458	9.9
95.01439	1.1
99.00889	1.0
101.01781	2.1
101.02444	40.6
107.05031	12.6
111.28705	1.0
113.02451	1.0
119.01374	1.8
120.02194	1.7
121.02956	16.8
121.06609	2.5
124.69549	1.0
125.02499	1.5
126.90411	1.2
135.04475	2.2
137.02475	0.9
147.04504	3.4
148.05307	52.0
151.03978	5.0
153.05556	4.4
161.02478	1.7
163.04005	1.5
163.07654	30.3
165.01878	1.7
173.06120	1.5
179.03491	11.9
189.05499	1.4
191.05695	1.4
238.50725	0.9
304.15195	0.9
309.09766	3.2
341.08646	2.7
415.74005	0.9
473.18347	4.2
505.17169	100.0
506.17471	4.1
526.06128	0.9
575.21680	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	575.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59940	1.9
58.07626	1.7
59.01381	3.0
59.68933	1.9
60.73645	1.9
61.98822	7.4
62.46814	1.8
68.99820	4.9
71.01384	1.8
78.95908	8.4
84.02180	4.4
93.03461	2.8
94.05120	2.2
95.05029	2.0
97.02952	4.0
97.06612	5.3
98.22672	6.2
99.91757	1.6
101.02454	12.3
107.05041	3.1
109.37875	1.7
113.00411	1.8
121.02937	2.9
121.31696	1.7
126.89732	1.9
148.05280	11.2
152.99586	8.1
163.07629	7.3
168.04337	3.0
171.10291	10.6
179.03461	1.9
183.13884	4.7
193.08421	10.8
193.12230	3.4
195.13951	7.2
211.13408	24.3
215.10507	3.4
223.13490	6.4
225.15079	3.5
232.10788	2.5
233.11575	14.1
242.08156	4.7
264.09866	5.0
275.20129	4.4
293.21228	81.9
294.21484	2.5
341.23312	47.3
343.41266	2.2
363.20972	8.4
447.21298	5.0
505.17245	19.8
518.28888	100.0
519.29321	7.5
526.42456	2.1
575.36676	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	575.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.7
59.01377	2.4
61.98833	2.4
69.12431	8.3
70.72390	1.4
78.95910	12.3
96.35756	1.8
99.86250	1.5
113.09745	13.6
135.58209	1.6
139.11316	2.1
152.99600	7.5
166.00211	1.5
167.10670	2.4
168.04372	2.2
177.12872	5.1
179.10739	2.1
195.13864	1.9
242.07968	4.5
249.22206	3.2
275.20135	4.1
293.21225	100.0
294.21448	3.5
307.22766	34.2
351.61087	1.4
414.12222	1.4
417.78833	1.5
447.21216	2.1
473.23022	1.7
518.28906	54.9
519.29358	2.1
532.30389	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50994	0.3
59.97932	0.3
60.42801	0.3
61.98829	100.0
64.38673	0.3
70.99751	0.3
71.01379	0.4
79.95742	0.6
80.96506	3.4
94.98109	1.1
111.56415	0.3
143.33798	0.4
224.00810	0.3
225.00819	1.1
291.03445	0.4
433.66074	0.4
464.85712	0.4
522.41644	0.3
577.26874	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	576.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35854	0.2
61.98829	100.0
71.01384	0.3
71.35506	0.2
75.65818	0.2
78.95898	2.3
79.95750	0.5
80.96516	2.6
94.98100	0.4
96.96024	0.4
96.97000	0.2
98.21839	0.2
98.95596	0.3
100.93404	0.2
115.92122	0.3
116.92870	0.5
120.02357	0.2
122.97667	0.2
152.98544	0.3
164.98674	0.5
179.89256	0.2
196.89534	0.5
225.00829	0.4
279.22406	0.2
284.03348	0.7
351.69815	0.2
379.28717	0.8
567.65314	0.2
576.20416	1.0
577.26721	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	576.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	20.3
59.45892	0.2
69.16273	1.7
78.17216	0.2
78.95905	7.1
86.01947	0.2
86.75354	0.2
98.21931	0.5
135.64235	0.3
152.99577	1.8
157.80231	0.3
168.04283	1.7
224.06923	0.9
233.22824	0.4
242.07993	3.0
259.20670	0.6
275.20206	0.4
277.21719	100.0
278.22037	2.9
323.79407	0.2
346.89642	0.3
437.74237	0.3
465.07791	0.3
502.29391	38.6
503.29700	1.9
572.45612	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38359	0.6
59.01378	26.3
61.98824	1.0
64.62061	0.6
69.36811	1.7
72.35954	0.6
78.95902	23.2
96.96983	0.8
98.22693	1.2
99.69154	0.6
152.99596	3.4
168.04295	3.9
193.33992	0.6
202.39444	0.6
224.06921	9.4
240.74751	0.6
242.08037	3.1
246.75967	0.6
269.04456	0.7
277.21722	100.0
278.22067	2.4
404.21790	0.7
502.29388	89.0
503.29803	3.2
529.27637	0.7
577.24915	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.6
61.98829	15.1
62.41704	0.5
69.13557	0.7
69.13962	2.8
78.31219	0.5
78.95905	7.8
78.98592	0.6
79.95733	0.8
80.33307	0.5
80.96515	7.7
94.98103	1.3
96.96024	0.7
98.22665	1.1
121.02965	2.8
122.03282	0.8
122.97598	0.6
134.97517	0.7
140.01186	2.4
148.99072	0.6
152.99698	0.8
164.98724	1.2
191.03505	2.5
192.03818	1.6
196.03738	1.4
214.04884	2.9
225.00766	1.8
284.03177	1.2
285.04047	1.7
347.21976	1.1
347.25922	10.4
379.28519	100.0
380.28860	3.7
576.20178	1.0
576.33014	13.8
577.26794	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	577.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59928	0.0
54.97726	0.0
57.38230	0.0
59.01381	0.3
61.98832	0.2
63.02113	0.1
63.02391	1.3
65.00000	0.1
65.00301	0.7
67.97238	0.0
68.99800	0.0
69.10497	0.2
69.10907	0.1
71.01373	0.3
73.02953	0.1
81.03454	0.0
83.01382	0.2
85.02938	0.1
86.69395	0.0
89.00317	0.1
89.02448	0.2
93.03458	0.4
95.01402	0.1
98.22691	0.1
99.00857	0.1
100.86157	0.0
101.02438	0.2
105.03456	0.2
107.01387	1.6
109.04996	0.0
113.02455	0.1
117.03464	9.8
118.03796	0.1
119.05022	1.9
121.02949	0.2
123.00846	0.1
132.02170	0.0
133.02956	0.2
133.06577	0.1
134.03891	0.0
135.04518	0.4
137.02463	0.1
141.03458	0.1
143.05063	0.0
145.02950	14.4
146.03302	0.3
147.00877	0.1
147.04472	0.0
148.01657	0.1
149.02435	1.1
149.04430	0.1
150.02831	0.0
151.00377	1.0
155.05008	0.1
157.06575	0.2
158.03702	0.0
159.04509	1.6
161.02443	1.3
161.06065	0.1
163.03998	0.8
167.05048	0.1
169.06584	0.5
171.04474	0.1
172.05257	0.1
173.04634	0.0
173.06062	0.1
175.00287	0.1
179.03510	0.1
180.05814	0.2
181.06554	0.5
182.03738	0.2
183.04507	0.9
184.05011	0.1
187.04025	0.1
191.05630	0.1
195.04480	0.1
196.05235	0.4
197.06081	0.6
198.06456	0.1
199.04044	0.2
201.05586	0.8
203.03487	0.2
205.04987	0.1
212.04715	0.1
213.05650	0.1
224.04755	0.3
225.05568	1.3
227.03539	0.6
239.03424	0.1
240.04333	0.2
241.05069	0.2
252.04454	0.0
253.05086	0.1
267.03116	0.1
268.03781	2.5
269.04532	100.0
270.04871	3.7
283.06076	0.1
307.08215	1.3
311.05569	0.3
413.08640	0.1
431.09933	0.6
531.27911	0.1
577.13483	25.8
578.13818	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1352
Annotation	Kaempferol 3-(6''-(Z)-cinnamylglucoside)
Peak:m/z	Relative Intensity
58.05782	0.4
59.01368	1.3
61.98823	1.2
63.02379	1.8
65.00330	1.4
69.22831	1.7
83.01387	1.4
85.02978	0.4
87.91731	0.4
88.98780	2.7
89.02454	1.4
89.94343	0.4
93.03471	1.0
98.22790	0.4
105.03483	0.4
107.01384	4.3
107.70437	0.3
109.02880	0.5
113.02459	0.4
117.03394	0.5
118.44940	0.3
121.02988	0.8
132.02167	0.6
133.02939	5.3
134.03728	1.0
135.04539	0.8
145.02934	0.5
148.01732	0.5
149.02432	1.6
151.00375	5.5
153.76270	0.4
161.02451	1.4
173.04564	0.5
175.04016	2.3
177.01884	0.6
183.04469	1.0
189.05696	0.5
191.05585	2.3
197.06273	0.5
198.03246	0.5
199.03979	2.1
200.04770	0.6
201.02028	0.7
211.03966	1.6
212.04787	0.7
217.05054	1.2
227.03519	2.2
228.04236	0.5
239.03543	1.0
240.04401	0.5
241.05020	0.7
243.03078	0.8
255.02885	2.2
256.03806	5.3
257.04398	0.6
269.04501	4.9
283.02399	1.1
284.03253	72.1
285.04025	100.0
286.04385	2.9
297.03897	0.6
306.97809	0.4
327.05020	1.0
577.13495	99.8
578.13800	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	577.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71499	0.1
59.01385	0.7
62.64039	0.1
63.02087	0.2
63.02385	1.1
65.00359	0.6
69.22247	0.5
71.01391	0.4
72.62987	0.1
73.02972	0.2
75.00872	0.5
83.01408	0.2
85.02943	0.1
87.00883	0.1
88.98830	0.2
89.02441	0.4
93.03468	0.2
94.62924	0.1
96.81335	0.1
96.96023	0.4
99.00893	0.1
99.43767	0.1
101.02466	0.4
107.01382	1.2
113.02468	0.1
117.03460	2.3
117.04258	0.1
119.05082	0.1
121.02962	0.1
129.66414	0.1
133.02968	1.2
135.04517	1.6
138.03293	0.1
143.03427	0.1
147.00839	0.1
149.02452	0.8
149.04488	0.1
151.00365	1.0
155.04984	0.1
157.06537	0.1
159.04524	1.0
161.02437	5.0
169.06622	0.3
171.04454	0.1
179.03467	0.8
181.06567	0.4
182.03708	0.1
183.04501	0.5
191.05580	0.3
196.05287	0.3
197.06105	0.6
199.03963	0.2
201.05600	0.4
203.03508	0.1
224.04802	0.2
225.05554	1.0
227.03523	0.4
239.03439	0.2
240.04262	0.3
241.05106	0.1
253.05095	0.1
267.02997	0.2
268.03760	3.3
269.04526	100.0
270.04886	3.1
299.39615	0.1
311.05518	0.2
353.09213	0.1
415.12442	1.8
450.99506	0.1
482.64926	0.1
492.28705	0.1
517.23083	0.2
535.47565	0.1
577.15430	6.2
578.15936	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1924
Annotation	Dracunculifoside O
Peak:m/z	Relative Intensity
59.01380	11.4
61.98853	0.5
63.27064	0.4
69.03451	0.6
69.25945	2.8
71.01376	8.5
73.02945	2.2
75.00867	1.0
83.01369	0.6
83.30032	0.5
85.02950	2.9
87.00869	0.8
89.02444	10.3
93.03450	1.2
95.28445	0.4
96.96016	5.1
97.02971	0.6
98.95621	0.7
99.00859	3.5
101.02459	6.1
105.03474	1.4
105.83659	0.4
107.05014	0.6
113.02454	1.4
117.03489	1.3
119.03511	1.3
125.02467	0.9
131.03503	1.3
132.02164	2.2
133.02962	38.2
134.03769	2.8
135.04532	13.5
137.02382	0.8
143.03549	1.1
146.03735	8.0
147.04518	1.0
149.04561	5.4
149.05760	0.9
160.01669	0.9
161.02446	100.0
161.05995	3.2
162.02844	1.8
163.04028	0.7
164.04784	5.7
165.05591	1.0
173.04590	1.0
175.04048	1.0
178.02647	0.5
179.03503	8.0
179.05615	0.8
179.07120	6.1
183.66304	0.5
187.11432	0.7
191.05595	7.6
193.05040	2.0
203.95592	0.5
205.12279	0.8
221.04602	0.6
221.06549	0.6
235.06174	0.8
251.07764	0.8
281.06720	0.8
293.08710	0.7
353.08823	3.7
371.20627	0.5
397.11227	2.0
443.80084	0.5
517.22827	5.2
534.26373	1.7
577.19263	60.8
578.19586	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	577.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.5
59.01377	8.4
61.98831	4.2
65.00331	0.4
67.01891	0.3
69.03459	0.7
69.21984	1.5
69.76730	0.3
71.01385	4.5
72.97498	0.3
72.99310	0.3
73.02937	2.0
77.03981	0.3
80.59571	0.3
81.03432	0.6
83.01410	0.5
85.02937	1.5
85.78555	0.3
87.00870	0.8
89.02444	6.0
91.05530	0.5
93.03458	0.8
95.01385	0.3
95.05013	0.3
96.96035	0.4
99.00880	3.0
101.02438	3.3
105.03462	0.9
107.01415	0.5
107.05010	0.6
109.02969	0.6
113.02454	1.2
115.07672	0.3
117.03452	1.8
119.03491	1.0
119.05002	0.6
121.02939	0.4
123.04517	0.9
124.01647	0.3
125.02435	1.8
131.03525	0.8
132.02170	2.3
133.02954	36.3
134.03819	2.2
135.04523	30.0
135.05598	0.5
137.02451	0.9
138.13403	0.3
145.02979	0.4
149.04543	1.0
149.06065	0.3
151.00354	1.1
151.93477	0.3
152.00972	0.3
155.03482	0.6
160.01648	0.5
161.02438	100.0
162.02791	1.3
165.05606	0.7
167.03505	1.0
168.00647	0.5
172.79294	0.3
173.04565	1.5
175.04008	0.4
177.01965	1.1
177.05559	0.6
179.03494	16.9
187.07700	0.4
191.05588	3.7
193.06577	0.4
215.07173	0.4
259.58969	0.3
269.04510	3.1
285.03827	0.4
327.08279	0.3
349.50214	0.3
385.13007	0.7
396.26978	0.4
397.27960	0.4
415.13666	0.7
531.27838	0.4
577.19220	65.1
578.19464	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.6
61.98831	0.6
63.02406	0.6
65.03951	1.0
68.99831	1.7
69.03460	7.2
69.44563	1.5
71.01377	2.2
72.99305	8.2
85.02969	0.7
89.02468	3.1
91.05566	1.0
93.03467	2.8
101.02447	5.6
103.05543	1.6
107.01402	0.9
107.05022	0.4
113.02452	1.0
117.03456	4.2
119.03525	1.5
119.04227	0.7
119.05026	12.5
121.02964	1.2
121.06592	0.5
133.02983	0.4
135.04524	0.4
137.02426	0.5
145.02943	6.5
145.06676	0.4
147.04523	45.2
148.04900	0.5
149.02449	0.9
151.00331	0.6
153.05566	6.2
159.04512	0.6
161.02434	1.1
163.03984	0.4
165.05565	100.0
166.05888	1.2
173.06049	0.9
179.03505	0.9
179.05457	0.4
179.07060	0.4
183.04543	0.5
191.05571	1.0
191.07162	1.6
196.05438	0.3
223.09790	0.4
225.05566	0.8
249.07574	0.4
267.08649	0.5
268.03711	1.2
269.04535	53.8
270.04819	1.6
293.08960	0.3
295.44510	0.3
307.08151	0.6
338.12338	0.4
345.09866	1.6
429.13968	12.1
430.14529	0.5
531.28033	0.7
577.12915	7.7
577.19434	11.2
578.13031	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.0
58.06567	1.0
59.01379	59.6
69.03458	2.5
69.12776	3.5
69.13178	2.9
71.01379	43.2
72.99308	4.2
73.02947	6.5
75.00858	4.1
81.03472	0.9
83.01376	2.8
85.02952	10.6
87.00875	3.3
89.02442	42.9
93.03449	3.6
94.20313	1.1
95.01393	3.5
97.02942	4.1
99.00867	4.7
101.02446	24.5
106.27165	1.1
111.00883	2.1
113.02451	15.1
117.03460	2.5
119.03504	19.0
125.02452	13.0
131.03493	4.8
133.02962	2.6
135.04503	11.1
137.98383	1.3
139.04141	1.3
143.03487	5.1
149.04544	4.5
151.00386	1.8
159.04462	1.0
161.02486	7.4
161.04585	4.8
163.04007	12.1
163.36247	1.1
165.09174	1.6
173.04546	11.7
178.06395	5.8
179.03516	9.9
179.05579	10.8
179.92509	1.0
191.05611	9.7
193.08620	5.3
221.06683	10.4
245.06680	1.4
263.07721	3.4
268.03653	2.8
269.04541	100.0
270.04880	4.7
323.09814	21.4
324.10184	1.2
353.08713	13.9
415.12241	1.0
515.11835	6.0
517.22772	8.5
517.29541	1.5
577.15918	4.1
577.28986	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	577.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54259	0.5
59.01369	0.9
61.98819	2.2
63.96239	0.7
69.85976	1.6
71.01384	6.3
72.22546	0.5
73.02950	1.5
78.63971	0.5
78.98593	5.2
79.95728	10.0
80.96518	65.2
81.03455	1.0
85.02946	2.5
87.00867	2.0
94.97475	0.9
94.98091	16.8
96.96017	0.9
97.02957	1.6
99.00864	0.5
101.02446	2.9
106.98109	2.9
113.02459	0.5
119.94279	0.5
122.97573	5.3
125.02433	2.9
127.04041	0.8
131.56691	0.4
134.97583	5.2
136.99121	1.3
148.99146	6.4
150.67857	0.5
152.98628	6.1
164.98621	11.1
167.00064	0.6
173.59285	0.6
182.99635	3.2
188.98680	0.5
206.46735	0.5
206.99663	3.5
219.71289	0.5
225.00739	14.8
243.01854	1.9
248.02512	0.5
277.21735	2.5
284.03232	0.6
299.04474	2.0
577.26868	100.0
578.27222	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	577.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95814	0.5
59.01374	2.6
62.35261	0.5
63.96228	1.3
66.64927	0.5
66.67250	0.5
69.03474	0.9
69.68423	1.1
69.68802	1.2
70.09624	0.5
71.01385	6.9
72.99218	0.7
73.02940	2.3
76.85527	0.5
78.98586	5.5
79.95733	7.8
80.96516	67.9
81.03453	0.9
85.02955	2.9
87.00875	2.7
94.98087	16.2
96.95989	0.9
96.97034	0.6
97.02967	2.2
101.02450	3.1
106.98065	2.8
122.97581	5.4
125.02450	3.2
127.04012	1.0
134.97594	4.9
136.99109	0.9
148.99167	5.7
152.98637	7.6
164.98611	11.7
164.99976	0.7
179.00208	0.7
182.99658	3.0
201.00735	0.5
206.99663	3.5
225.00732	18.8
240.11333	0.7
243.01843	1.9
277.21664	2.4
277.90546	0.6
278.69312	0.5
279.23291	7.0
299.04398	2.4
504.31146	2.6
577.26849	100.0
578.27191	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	577.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.3
61.98829	8.8
63.96243	1.3
69.03439	0.4
69.36984	2.2
71.01385	7.3
71.71771	0.4
72.99284	0.5
73.02946	1.7
78.95898	3.0
78.98589	5.4
79.95736	11.4
80.96516	70.4
81.03461	0.9
82.16786	0.4
84.39337	0.5
85.02945	3.0
87.00873	2.1
94.98088	16.1
96.96028	1.6
97.02934	2.2
101.02438	2.6
106.98083	3.4
122.97600	3.2
125.02504	3.1
127.04002	1.0
134.97591	5.2
136.99113	1.4
148.99146	5.5
151.00375	0.7
152.98627	5.2
152.99612	0.8
164.98633	13.6
169.07779	0.5
206.99673	2.2
225.00737	13.1
256.03717	0.5
277.21799	1.4
279.23312	3.2
284.03247	2.4
285.04068	1.3
286.04776	1.0
299.04453	4.0
309.04190	0.6
380.28830	0.6
476.27631	0.7
504.30789	2.3
514.54773	0.5
542.25159	0.9
577.26874	100.0
578.27161	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	577.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60390	0.5
55.01881	1.0
57.03427	2.1
58.00593	0.9
59.01379	46.6
61.98810	1.5
62.97162	0.6
63.02380	0.7
65.00326	0.8
68.99828	1.1
69.03455	4.6
71.01382	24.6
71.04998	0.9
72.99313	0.8
73.02947	11.3
74.74294	0.5
80.28851	0.5
80.68370	0.5
81.03447	1.2
81.03885	0.5
82.95408	0.6
83.01375	1.9
85.02952	4.6
87.00874	1.7
89.02445	31.6
93.03445	1.8
95.01403	1.3
97.02934	1.1
99.00884	20.9
101.02445	17.2
107.01383	1.5
109.03016	0.6
113.02447	5.1
117.03432	1.8
119.03518	3.5
121.02892	0.8
123.04568	0.9
124.65370	0.5
125.02462	4.8
127.04070	0.6
131.03499	4.5
133.02924	2.3
133.06584	1.4
135.04538	4.3
139.11282	7.1
145.02951	1.0
149.04559	6.9
151.00365	3.3
151.07614	0.7
152.26398	0.5
159.04529	1.0
161.02438	7.9
161.04539	1.9
162.02747	0.6
167.03458	2.1
173.04553	2.7
173.05827	0.7
177.01917	0.6
177.05621	2.7
179.03571	2.8
179.05545	1.3
183.10260	33.0
184.10609	0.8
187.07674	1.0
191.05603	9.9
195.06589	1.1
211.07639	0.9
215.07184	0.9
233.35208	0.5
268.03726	1.3
269.04535	11.5
270.04727	0.9
284.03342	0.6
285.03940	1.1
287.05380	1.6
345.12976	0.7
357.11884	2.8
383.11310	0.7
385.12997	0.9
403.13934	0.6
415.14160	1.8
517.26373	1.7
541.22784	4.1
559.27264	4.1
577.28619	100.0
578.28839	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	2.1
61.98829	7.7
69.31737	4.5
78.95904	9.2
93.03432	3.0
104.88264	1.1
113.09718	1.7
116.20641	1.1
136.17801	1.2
152.99559	6.4
168.04289	2.7
173.04477	1.6
179.14417	1.0
191.05589	6.0
195.13904	20.9
212.17934	1.0
217.84711	1.1
224.07011	1.3
242.07983	3.3
269.04507	3.6
277.21701	18.5
295.22769	96.4
296.23154	3.0
377.48282	1.1
386.54214	1.2
449.22916	4.1
492.27542	1.1
520.30426	100.0
521.30670	2.9
577.23615	1.5
577.32593	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	577.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82119	3.2
58.84636	3.0
59.01364	3.2
60.01593	3.1
61.98832	21.9
69.71923	13.6
78.95911	10.0
80.52639	3.6
88.54713	3.5
93.03452	16.2
98.21922	4.7
99.84570	2.9
127.14870	3.7
128.90167	3.8
134.68997	3.7
135.04541	6.5
138.33723	3.3
148.38402	3.5
152.99597	8.0
168.04256	4.2
173.04550	14.1
183.94595	3.4
191.05592	38.0
195.13863	12.5
226.61188	3.5
269.01968	4.1
269.04510	17.2
271.97012	3.5
277.21771	14.8
295.19449	3.6
295.22729	88.0
391.98685	3.9
520.30377	100.0
577.13928	4.3
577.23090	8.8
577.32141	5.1
584.22327	4.8
584.59521	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	27.6
59.06749	1.7
62.78998	1.2
67.01888	2.0
69.03459	1.5
69.43597	6.6
71.01383	22.2
71.76156	1.3
72.99310	2.8
73.02945	4.2
75.00874	4.4
85.02967	8.3
87.00861	2.3
89.02448	14.3
90.02721	1.5
93.03464	18.2
97.02992	1.6
99.00903	1.5
101.02462	13.2
110.98550	1.4
111.04515	4.0
113.02429	7.1
119.03520	9.4
125.02431	5.2
131.03467	1.7
133.02986	2.4
135.04530	56.3
137.02457	5.5
143.03433	2.0
149.04568	2.3
154.23010	1.4
155.03510	3.8
161.02443	7.2
161.04555	3.6
163.03992	5.0
173.04559	94.0
178.06311	2.2
179.03511	59.9
179.05482	4.7
191.05614	42.0
203.03522	4.1
221.06696	4.2
222.06972	1.6
249.28513	1.5
268.03693	1.6
269.04510	19.7
270.04874	20.1
299.05664	2.6
317.06601	3.4
322.74451	1.4
323.09686	5.7
324.10098	1.8
353.08768	100.0
354.09262	2.8
515.11902	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69071	0.7
55.56420	0.8
57.03432	0.8
59.01375	20.3
61.98836	4.3
66.82168	0.7
69.03431	1.0
71.01379	14.7
72.99311	0.8
73.02940	3.6
75.00841	2.4
83.01382	0.8
85.02944	6.5
87.00865	2.5
88.42815	0.7
89.02436	19.9
90.02792	0.8
90.88611	0.7
93.03430	2.0
96.95991	2.5
99.00867	6.9
101.02430	10.6
107.05028	0.9
111.00814	0.8
111.04520	1.9
113.02442	3.8
119.03461	1.3
119.75017	0.7
125.02409	1.4
126.35175	0.8
127.03997	1.4
129.01961	0.9
131.03490	3.1
133.02959	5.6
134.03714	2.8
135.04521	46.5
136.04860	1.0
146.03673	1.0
149.04544	13.3
150.03224	0.8
150.04825	1.5
151.04085	0.7
155.03506	1.3
161.02429	14.2
161.04526	1.6
162.02812	3.7
165.05684	0.7
169.85837	0.6
173.04538	4.8
179.03490	53.2
180.03835	1.2
191.05602	100.0
192.05917	1.7
199.81102	0.7
205.12505	0.8
221.06586	1.5
251.07674	1.2
284.03098	0.7
285.03967	2.7
335.07599	0.8
353.08755	97.5
354.09012	3.7
355.12054	1.3
448.10767	0.9
515.11896	3.4
517.23047	4.9
518.23352	5.6
577.18829	1.6
578.19586	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	578.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	77.0
60.10971	4.1
61.98834	54.0
67.01904	6.8
69.03439	6.3
70.29706	10.6
71.01371	45.6
73.02948	10.2
73.43684	4.2
79.59891	4.3
83.01364	8.4
85.02953	19.5
87.00866	12.3
89.02444	51.1
93.03449	20.0
95.01367	5.9
99.00904	9.4
99.04519	4.4
101.02439	39.4
105.18404	3.9
109.02949	11.9
111.04494	5.8
113.02460	19.9
119.03490	12.7
119.05003	9.8
123.04546	4.2
125.02451	10.6
128.93480	4.5
133.02942	18.6
134.03802	5.1
135.04539	56.9
136.04814	11.4
137.02394	6.7
151.00357	23.9
152.00723	9.7
155.03546	5.8
161.02452	53.4
161.04526	10.6
162.02751	14.6
163.04051	7.2
173.04576	20.9
179.03471	17.0
179.05569	7.4
191.05597	100.0
192.06013	7.9
262.45297	4.2
268.03409	5.3
269.04562	10.0
270.04932	10.1
284.03320	4.9
285.04050	27.4
286.04330	9.4
287.05719	4.8
288.05655	5.2
369.13358	7.7
387.14481	15.2
417.25391	5.7
460.99722	5.0
497.13660	8.6
519.24829	5.8
543.14795	12.1
578.18170	6.8
578.28009	6.5
579.13715	6.4
579.30737	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	578.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62378	1.8
61.98832	100.0
67.07333	1.5
68.99557	1.8
70.00053	2.8
70.00367	2.4
72.00008	1.7
98.82304	1.8
164.83797	1.9
177.01907	2.6
277.21811	3.5
278.22235	2.5
298.28650	2.5
361.25751	1.9
406.72397	2.1
424.31146	2.3
479.36020	2.2
578.25818	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	578.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	19.3
61.98830	65.0
62.98553	1.5
63.46819	0.8
63.96208	1.1
63.99260	6.9
68.98652	0.7
69.85758	1.2
69.86126	2.5
71.01371	8.3
72.01703	0.9
73.02945	2.4
78.95901	6.2
78.98608	6.2
79.95733	10.8
80.96515	73.1
81.96468	1.9
82.96107	2.0
85.02944	2.7
85.85982	1.0
87.00876	2.9
94.98076	13.7
96.95979	1.2
97.02965	1.3
98.22580	1.0
99.00894	0.8
101.02427	2.5
101.32437	0.8
106.98087	2.8
122.97612	5.5
125.02455	3.1
127.03979	1.2
134.97562	3.0
136.99146	1.0
148.99147	4.7
151.82350	0.9
152.98604	5.5
152.99699	1.4
153.16653	0.8
153.98926	0.8
164.98616	10.6
165.93985	0.9
165.98907	2.3
168.04260	1.3
182.75693	0.8
182.99651	1.8
189.91501	0.9
195.04918	0.8
196.06268	0.8
206.99695	3.1
208.00003	0.8
225.00777	12.3
226.00948	3.8
227.00145	0.8
242.07988	2.2
243.01814	1.4
278.22092	1.7
279.23294	97.7
280.23691	3.7
284.03171	1.7
285.03934	1.4
291.74118	1.0
299.04453	2.0
300.04797	1.0
325.29352	0.9
411.73459	0.8
415.75735	0.9
504.30966	31.7
505.31763	1.0
578.27216	100.0
579.26892	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	578.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85569	0.5
59.01379	22.0
61.98814	0.7
70.37873	1.0
71.01383	1.9
72.00878	0.6
78.95907	23.0
78.98593	1.2
79.95731	2.8
80.96518	15.9
82.96107	0.9
87.00887	0.7
94.98094	3.2
96.96003	0.5
101.02433	0.5
122.97584	0.8
122.98552	0.5
134.97624	0.8
148.99135	0.7
151.00378	0.6
152.98552	1.0
152.99619	5.9
164.98605	1.9
168.04350	3.5
224.06935	8.6
225.00734	3.1
226.01003	0.8
228.53035	0.5
236.00798	0.5
242.07967	2.1
279.23294	100.0
280.23636	3.1
284.03073	0.7
285.03787	1.0
286.04556	0.9
504.30969	74.7
505.31198	3.0
542.24994	1.9
578.27240	25.2
579.27087	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	579.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.1
60.16198	0.1
60.70680	0.2
61.98832	0.3
63.02396	0.7
65.00342	0.6
68.99818	0.2
69.03452	0.2
69.21706	0.2
70.99124	0.1
71.01381	1.0
73.02937	0.5
83.01393	0.5
85.02952	0.4
89.02440	1.6
92.44040	0.2
93.03457	0.4
95.01411	0.4
96.95976	0.2
99.00915	0.3
101.02453	1.6
102.68054	0.2
105.03468	0.3
107.01393	1.3
108.02194	0.2
109.02930	0.8
113.02479	0.3
118.91797	0.1
119.03518	0.3
121.02971	0.6
123.04508	0.6
131.03511	0.4
133.02957	4.0
134.03754	0.3
135.04517	0.3
143.05089	0.2
149.02440	1.5
149.04541	1.3
151.00368	3.7
151.01541	0.3
154.99982	0.1
155.03516	1.0
161.02473	0.3
161.04573	0.2
165.05548	0.2
167.05080	0.2
171.04564	0.2
173.04581	0.3
173.05983	0.2
175.04030	1.8
176.01292	0.2
177.01982	0.3
181.05101	0.3
183.04539	0.2
185.06119	0.3
191.05609	1.7
197.06184	0.2
198.03172	0.3
198.81522	0.2
199.04012	1.6
201.01965	0.6
211.04031	0.3
212.04727	0.2
213.05577	0.5
215.03500	0.4
217.05020	1.1
225.07709	0.4
226.02686	0.2
227.03546	0.6
229.05127	0.2
239.03416	0.4
241.04987	0.8
243.02980	0.6
255.03017	0.3
256.03799	1.0
257.04553	0.3
261.04102	0.2
267.02957	0.4
283.02490	0.2
284.03281	13.3
285.04037	100.0
286.04367	3.7
297.03903	0.2
327.04898	0.4
378.38370	0.2
447.09323	0.3
519.24548	1.6
579.13538	49.1
580.13763	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	579.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50105	0.2
59.01385	1.2
63.02409	0.7
65.00337	0.6
69.76775	0.2
71.01382	0.8
83.01405	0.5
85.02975	0.4
89.02434	1.6
92.87129	0.2
93.03460	0.4
101.02453	0.9
103.80844	0.2
105.03394	0.3
107.01392	1.5
108.40945	0.2
109.02971	0.4
109.84411	0.2
121.02944	0.5
123.04529	0.3
131.03546	0.2
133.02945	3.5
134.03720	0.2
135.04546	0.3
149.02451	1.4
149.04538	0.6
151.00354	3.4
152.00937	0.2
155.03458	0.5
159.29257	0.2
171.04468	0.3
175.03996	1.5
177.01855	0.3
181.04967	0.2
183.04568	0.2
185.06046	0.6
189.05473	0.3
191.05626	0.6
198.03145	0.3
199.03957	1.8
201.01945	0.4
211.03952	0.3
213.05560	0.6
215.03549	0.4
217.05037	1.0
227.03511	0.3
239.03423	0.4
241.05028	0.7
243.02953	0.5
255.03004	0.3
256.03799	0.9
257.04691	0.4
267.03076	0.4
283.02417	0.4
284.03259	12.9
285.04025	100.0
286.04370	3.5
297.03729	0.3
327.05029	0.3
334.59808	0.2
447.09149	0.3
493.66199	0.3
519.24469	1.3
579.13507	42.1
580.13928	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	579.193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00116	0.9
55.01870	1.7
57.03439	3.9
59.01378	33.9
61.98828	5.9
64.78734	0.9
67.01891	8.3
68.99800	3.3
69.03452	7.4
69.63754	2.0
71.01378	32.0
72.99305	4.0
73.02962	6.3
75.00883	5.6
81.03443	2.8
81.43267	1.0
83.01369	3.3
85.02953	14.5
85.32234	1.2
86.00646	1.1
87.00892	1.7
88.98824	1.5
89.01929	1.7
89.02452	31.5
93.03436	1.2
95.01389	28.1
95.02000	1.6
96.96011	1.6
97.02949	5.8
99.00880	9.1
101.02440	25.2
111.00862	3.2
113.02435	10.3
115.04002	1.8
116.92858	3.8
119.03496	6.0
123.00945	1.9
123.04483	6.5
125.02448	3.3
127.04020	22.8
129.01939	10.5
131.03490	5.2
131.95465	1.4
138.06895	1.1
141.01918	3.3
143.03542	1.3
144.64333	1.1
149.02449	3.3
149.04553	10.2
150.03230	2.9
153.09212	3.4
155.03502	81.9
157.04976	1.5
159.03029	1.9
161.02434	1.8
161.04559	3.6
165.05531	4.0
167.60371	1.2
174.15532	1.2
175.06100	20.7
179.03502	2.7
179.05495	2.0
191.05597	10.1
195.06577	1.7
205.76176	1.2
225.14920	4.2
232.44577	1.0
235.08209	2.7
289.09341	1.5
293.08865	2.0
315.07291	2.3
330.85229	1.1
333.08032	1.9
347.09821	24.5
385.11395	3.7
387.20200	5.5
461.14447	1.6
501.23352	1.9
519.24438	76.5
520.24469	1.9
579.19275	100.0
580.19812	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	579.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83758	0.5
55.01883	0.5
57.03450	0.6
59.01380	100.0
71.01380	8.5
71.47289	0.5
72.66700	0.5
73.02971	2.0
83.01408	0.8
85.02964	2.6
87.00901	1.8
89.02454	9.9
93.03508	0.8
96.96033	0.7
99.00890	2.3
101.02456	6.1
111.00896	2.2
113.02436	3.0
115.00364	0.6
119.03538	0.8
121.03004	1.3
125.02465	0.9
126.90445	1.6
131.03542	1.7
133.02980	1.7
135.04552	1.6
136.01677	1.5
149.02611	0.8
149.04549	7.1
150.03214	1.9
151.00366	0.9
151.03972	1.0
161.04582	1.7
165.05492	1.3
175.04036	2.3
179.03549	0.8
190.06357	1.4
191.02031	0.7
191.05624	3.4
191.07150	0.6
199.04088	0.7
212.77039	0.6
253.08806	0.6
261.05716	0.8
262.06570	0.6
263.07205	1.7
267.06757	0.9
269.08313	1.7
279.06674	1.6
281.08154	2.9
284.03278	4.7
285.04053	32.0
286.04428	0.6
291.06610	1.3
293.08334	0.8
294.09055	1.9
297.07715	8.6
297.10892	0.7
308.10623	0.9
309.04456	0.5
309.07776	11.4
309.11447	4.0
311.09949	1.0
312.09985	8.2
313.27228	0.6
319.47278	0.6
324.09995	11.4
327.12369	38.5
328.12769	1.3
339.12372	37.0
340.12891	1.7
357.13593	0.8
387.20340	0.8
390.87198	0.6
417.15524	4.6
519.24463	16.3
566.02698	0.7
579.13409	15.5
580.13995	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	579.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
59.01380	100.0
60.01713	0.9
69.86771	0.7
71.01374	10.5
73.02960	3.3
75.00877	1.0
75.26344	0.8
81.17706	0.7
85.02983	1.7
87.00897	1.3
89.02446	12.5
93.62336	0.7
95.01373	0.7
99.00905	2.2
101.02452	6.9
106.88425	0.6
107.01297	0.7
107.18767	0.6
107.46687	0.6
111.00911	2.8
113.02460	3.2
114.43214	0.7
119.03521	1.2
121.02974	1.1
126.90484	2.1
129.01982	0.7
131.03514	1.9
133.02980	0.9
135.04561	1.3
136.01689	1.7
143.03433	0.8
149.02466	0.7
149.04555	8.4
150.03233	1.6
151.00371	0.7
151.04071	1.8
161.04649	2.1
165.05571	2.1
173.01039	0.8
175.04056	1.5
176.04759	0.8
189.05638	0.9
190.06398	1.2
191.05658	3.8
195.06685	1.1
222.05399	0.9
251.07794	1.0
263.07294	1.0
269.08276	1.1
279.06656	1.5
281.08298	2.2
283.10004	0.8
284.03384	1.8
285.04041	22.1
286.04422	1.2
293.08420	1.4
294.09171	2.2
296.10715	0.8
297.07703	6.0
297.11139	0.9
299.11975	0.7
302.78787	0.7
308.10797	0.8
309.07773	11.0
309.11438	3.8
312.09998	7.0
323.09006	0.9
324.10037	8.7
327.12384	36.8
328.12744	1.4
339.12354	35.4
340.12860	1.5
357.13596	1.7
387.20413	1.4
417.15433	3.9
463.22049	1.2
519.24408	19.7
520.25140	1.0
579.13513	11.8
579.22931	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13213	0.4
55.01868	0.8
59.01374	11.2
69.03455	0.9
69.40895	2.1
71.01009	0.9
71.01378	12.4
73.02941	3.2
75.00866	1.9
79.98526	0.5
81.03419	0.6
83.01382	1.0
85.02941	6.1
87.00870	1.1
89.02449	4.9
93.03457	1.3
95.01412	0.9
97.02936	0.9
99.00866	1.1
101.02441	8.1
109.02954	1.8
113.02440	4.9
113.22004	0.5
119.03487	2.0
120.91518	0.5
123.00874	1.9
123.04491	0.5
125.02426	2.0
131.03482	0.8
133.02940	1.5
135.04532	2.1
137.02426	7.7
138.03206	0.5
139.00378	0.7
143.03473	0.9
146.03650	0.5
148.54268	0.5
149.02444	0.6
149.06061	0.6
149.90472	0.5
151.00362	15.0
151.03981	0.9
152.01102	0.7
152.04771	2.8
153.82239	0.5
155.03418	0.5
155.06958	0.5
159.03000	0.6
161.02452	3.3
161.04485	3.5
162.02783	0.4
165.01851	0.6
166.02704	49.5
167.03372	2.1
173.02464	0.8
173.04547	1.2
174.03212	1.0
175.03990	1.1
177.01917	2.5
177.05534	0.6
179.03525	2.2
179.05588	1.1
181.05054	66.8
182.05319	1.1
190.06343	0.6
191.03682	0.9
191.05589	8.2
191.98134	0.5
192.04330	1.2
199.04054	0.6
205.05040	0.5
205.08647	1.2
207.06635	1.1
210.05243	0.5
218.71860	0.5
220.83719	0.5
269.04437	0.6
285.03943	3.4
315.12338	0.5
343.15665	1.2
354.09097	0.7
359.11356	1.7
359.15262	0.8
369.13275	0.7
387.10794	11.6
387.14661	6.3
387.19803	1.1
388.10834	0.5
401.11356	0.5
402.13159	6.3
417.15530	100.0
417.24902	8.5
418.15909	4.9
519.24481	5.6
579.14087	1.5
579.21515	0.8
579.30042	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	579.255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.8
67.01895	0.6
68.53159	0.4
69.19824	1.5
70.30765	0.3
71.01370	2.1
71.32833	0.3
73.02988	0.3
78.98554	0.5
83.05044	0.4
85.02945	5.7
85.16694	0.3
87.00867	1.2
89.02420	0.8
93.03473	2.2
96.96008	0.9
97.02968	0.4
101.02418	1.4
111.00866	3.5
111.04516	0.7
112.48167	0.4
127.04023	1.2
129.03716	0.4
133.02933	0.7
135.04475	1.0
161.02419	1.5
173.00880	1.5
173.04546	0.9
179.03502	0.9
179.05675	0.5
181.01752	0.5
181.43350	0.4
191.05602	100.0
192.05939	1.6
206.68742	0.4
259.58765	0.5
293.12463	1.5
302.00751	0.4
353.04266	0.6
353.08725	11.9
354.09229	0.7
482.97296	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86193	0.4
55.01874	1.1
57.03451	0.5
59.01380	19.4
63.02411	1.0
65.00353	0.5
68.99824	0.9
69.03444	1.1
69.26406	0.9
69.26807	1.9
71.01379	15.0
72.99323	0.6
73.02956	5.0
75.00896	0.6
82.95412	0.7
83.01387	2.1
85.02954	4.0
87.00894	1.2
89.02447	14.7
93.03459	0.6
95.01402	1.7
97.02954	0.9
98.22661	0.9
99.00906	2.0
101.02449	13.3
107.01405	1.2
108.86104	0.5
109.02975	0.6
111.00893	2.2
113.02441	4.4
114.93411	0.8
115.04031	1.8
119.03535	2.4
123.00882	0.6
123.04491	2.4
125.02475	1.4
131.03558	2.9
133.02962	3.3
141.10463	0.4
143.03557	0.8
149.02477	1.2
149.04572	6.3
151.00352	2.3
155.03517	3.6
161.02525	0.8
161.04530	2.2
173.04561	1.2
175.04018	2.0
191.05602	4.4
199.04010	1.2
217.05074	1.3
225.07776	0.7
225.14915	1.4
233.06635	0.5
241.05043	0.7
256.03812	0.6
284.03296	12.3
285.04044	100.0
286.04446	5.0
293.08768	0.6
297.04044	0.6
321.58054	0.5
387.20322	2.6
390.00711	0.7
519.24469	40.2
520.25153	2.1
520.33099	0.4
579.13525	44.1
580.13947	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	579.284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	1.5
61.98837	3.5
63.96247	1.0
69.03497	0.7
69.40163	2.6
70.89427	0.6
71.01381	7.9
73.02950	2.5
75.43281	0.6
78.95896	4.7
78.98589	4.6
79.95735	11.1
80.96515	57.8
85.02956	2.1
87.00883	2.4
94.98086	14.3
96.96011	88.0
97.02964	2.4
101.02453	2.2
106.98087	3.0
108.15066	0.7
113.02437	0.9
122.97565	5.7
125.02445	3.4
127.03996	1.0
134.97588	4.2
136.99162	1.2
148.99138	6.0
152.98628	6.9
152.99655	2.4
164.98621	9.9
171.00696	0.8
182.99759	2.2
194.93721	0.8
206.99623	3.1
225.00726	16.2
243.01721	1.4
245.04272	3.8
253.21725	1.9
279.23315	2.8
281.24850	4.1
284.03320	1.0
285.03931	2.5
299.04453	2.5
299.07611	0.8
329.95987	0.9
343.01172	1.9
481.25803	4.7
506.32483	1.6
579.28436	100.0
580.28613	5.4
582.38794	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26433	0.3
51.91191	0.3
55.01874	2.3
57.03453	2.3
58.00592	0.8
59.01379	64.9
61.98840	2.1
68.99819	0.5
69.03465	0.8
71.01383	45.3
72.99315	1.9
73.02945	9.8
75.00889	1.1
82.95420	1.1
83.01381	5.6
85.02952	17.3
85.06561	0.5
87.00881	2.9
87.04515	0.5
89.02446	30.2
90.02810	0.4
93.03476	0.8
95.01390	3.0
96.96026	1.4
97.02967	0.9
99.00896	4.1
101.02446	31.1
102.02805	0.6
109.02966	0.8
111.00872	1.0
111.72459	0.3
113.02456	17.6
116.92848	2.0
119.03506	10.9
119.04309	0.7
121.02967	1.0
122.03732	0.6
125.02470	1.4
129.01968	2.2
131.03520	1.2
131.07149	1.6
133.02989	1.5
135.04526	1.7
136.01669	7.5
137.02486	0.8
143.03529	2.4
149.04549	1.3
151.00407	1.4
151.04015	11.0
152.01160	0.3
153.01978	0.5
159.02994	1.4
161.02486	3.9
161.04559	10.4
162.02948	0.5
163.04012	0.8
165.05527	0.4
166.02702	2.2
167.03552	0.4
173.04585	0.6
174.31952	0.3
179.03477	1.0
179.05658	5.3
181.03664	0.5
181.05058	2.9
188.04669	0.4
191.05612	5.7
249.95557	0.4
255.19527	0.4
269.04584	0.6
279.07306	0.4
284.03189	0.9
285.04022	7.4
342.11130	1.6
357.13409	18.2
358.13757	1.4
387.10678	1.4
387.15009	0.7
387.20172	0.4
402.13614	0.8
417.16000	6.1
417.24887	22.8
418.25085	0.6
431.28360	0.4
431.71793	0.4
519.24475	3.9
533.26208	1.0
541.18958	0.5
579.14514	2.7
579.30194	100.0
580.21747	0.4
580.30414	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	579.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.0
57.03446	2.0
58.00583	0.4
59.01376	54.3
67.01926	0.3
69.03458	0.6
69.29847	1.4
71.01379	40.2
72.99306	1.0
73.02943	8.6
75.00867	1.3
83.01387	4.4
85.02948	14.5
87.00883	1.1
87.04497	0.5
89.02441	21.4
95.01379	3.6
97.02917	0.7
98.11395	0.4
99.00874	3.1
101.02437	23.8
107.70741	0.4
111.00900	0.6
113.02444	15.4
115.55746	0.4
119.03503	8.7
125.02454	0.8
129.01958	1.5
131.03519	0.7
143.03514	1.5
149.04604	0.6
159.02977	1.2
161.02536	0.6
161.04541	9.1
179.05573	2.6
181.05009	0.5
191.05632	0.9
225.15160	0.4
250.71622	0.4
254.67104	0.4
255.19891	0.5
277.61066	0.4
417.24939	21.1
418.25055	0.9
439.99673	0.5
509.74454	0.5
519.24359	1.5
570.79510	0.5
579.30200	100.0
580.30481	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	580.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28547	1.2
59.01379	34.3
61.98829	12.2
69.03456	6.6
69.31870	5.8
71.01379	31.0
73.02951	4.4
75.14594	1.2
79.01898	2.8
81.03459	2.8
83.01387	2.5
83.35416	1.3
85.02948	5.9
88.98816	3.3
89.02449	28.7
93.03456	4.5
95.01385	2.7
95.95246	2.5
97.02930	6.8
99.00901	3.6
101.02431	6.6
107.01386	3.5
108.02184	20.1
109.02962	13.8
113.02446	3.8
115.04012	3.5
125.02451	18.4
131.03506	2.3
133.02942	2.4
134.03723	2.3
135.00885	5.5
135.04530	2.1
137.02441	1.7
149.04515	4.5
150.03217	1.4
151.03975	1.8
152.01157	29.0
153.01945	16.7
161.02452	3.3
163.04019	2.0
173.04541	2.5
179.03548	1.4
191.05608	16.8
197.06009	1.7
233.06604	8.8
243.06627	3.4
285.03891	2.0
293.08780	17.0
358.11499	1.3
371.14880	3.3
429.10370	100.0
430.10770	2.8
467.96381	1.4
520.29230	1.4
526.79529	1.4
537.16400	1.6
563.21088	3.2
579.33734	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	580.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.2
57.08470	1.7
59.01381	66.2
61.98836	23.1
69.03458	19.7
71.01385	62.8
72.99363	1.7
73.02943	6.9
76.11307	1.7
79.01892	6.1
79.53246	1.8
81.03456	2.3
81.90437	2.3
83.01372	2.7
85.02946	10.2
87.00881	5.4
89.02449	74.2
93.03451	7.0
95.01401	1.8
97.02956	13.9
99.00907	2.4
101.02460	14.3
103.36732	1.7
107.01390	13.7
108.02182	34.1
109.02975	22.7
111.00945	2.4
113.02442	9.8
119.03478	3.3
121.02934	6.2
123.00848	2.4
125.02454	30.4
131.03503	20.0
133.02945	3.6
135.00894	25.9
135.04527	4.2
137.02478	4.6
149.04559	28.7
151.00340	2.7
152.01160	55.2
153.01955	57.2
161.02470	4.8
173.04584	3.5
177.01877	3.0
177.73413	1.8
177.75687	1.7
179.03510	2.8
191.05621	31.5
195.02980	6.1
197.06102	2.7
211.13301	3.1
215.06900	1.6
216.10196	2.4
217.53294	2.2
233.06616	4.3
243.06645	19.4
279.05267	2.2
285.03973	6.4
286.04279	2.4
293.08771	35.8
315.07346	2.4
316.73495	2.0
327.07025	9.2
369.08502	2.5
371.15036	3.3
429.10367	100.0
430.10889	2.7
514.67102	2.1
563.21356	4.1
579.32678	1.9
580.14551	3.0
581.22693	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	580.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11055	1.4
55.14597	1.5
57.03453	2.2
59.01377	41.8
61.98831	2.0
62.39189	1.5
69.93576	3.7
71.01384	28.3
73.02944	11.1
85.02938	3.7
87.00871	3.0
89.02446	51.4
90.02797	1.6
96.95997	2.0
97.02975	2.4
98.21851	1.6
99.00895	16.0
101.02457	19.5
103.95107	1.5
111.00885	6.4
112.01246	2.9
113.02428	6.3
119.03479	3.3
119.31226	1.4
125.02432	4.6
131.03499	9.6
149.04553	21.9
149.09741	11.1
153.09256	3.3
161.04547	2.4
167.10753	12.2
173.00969	3.7
179.05608	1.5
181.01663	1.5
187.26244	1.5
191.05550	11.1
198.59258	1.5
221.06718	2.1
242.14551	1.4
251.07697	1.8
276.87555	1.4
293.08698	3.8
331.43964	1.5
490.79880	1.7
520.24872	4.4
537.25531	100.0
538.25958	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	580.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11097	0.3
59.01377	15.0
61.98833	0.8
71.01377	0.8
78.95903	9.5
78.98609	0.7
79.95735	1.8
80.96516	10.7
82.96133	0.5
85.00451	0.6
94.33620	0.4
94.98066	2.4
96.96005	5.1
96.96959	0.6
97.02979	0.5
99.92621	0.5
100.69209	0.3
100.93369	0.6
106.98078	0.4
115.92080	0.8
116.92847	1.2
122.97594	1.0
125.02391	0.4
131.13705	0.4
134.97540	0.6
148.99117	0.9
152.98627	0.8
152.99611	2.4
161.58339	0.4
164.90462	0.4
164.98651	1.4
168.04282	1.4
171.00603	0.9
171.24854	0.4
172.95389	0.6
178.88380	0.6
179.89215	1.8
180.89987	1.5
181.90756	0.6
194.10420	0.4
196.89468	1.7
204.46870	0.5
224.06927	1.2
225.00719	2.3
226.00952	0.3
235.91771	0.6
236.92633	1.1
237.44237	0.4
242.07973	2.2
251.56299	0.3
281.24844	100.0
282.25186	2.4
306.36115	0.4
506.32504	34.6
507.32745	1.9
580.28729	18.7
581.18152	4.2
581.28333	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00722	1.1
59.01362	2.6
61.98833	8.4
65.00323	3.7
69.10612	6.9
73.44800	1.0
76.15184	1.3
83.01406	2.7
85.02961	1.4
85.42060	1.3
93.03458	4.9
95.01515	1.1
101.02421	1.6
107.01397	7.7
108.02203	5.3
109.02994	1.6
111.41832	1.0
119.06146	1.3
133.02975	2.1
134.03745	11.5
135.04556	12.8
136.01622	6.9
149.02390	1.5
151.00383	26.3
151.04030	2.4
161.02415	1.4
163.00269	1.2
164.01164	19.6
165.01805	1.6
167.03526	2.1
168.83902	1.2
173.04564	2.5
174.03140	6.2
175.00381	4.8
175.04109	1.3
175.18871	1.2
177.01927	3.8
178.02678	1.1
179.03517	4.2
187.04027	1.2
191.05629	5.1
196.00104	4.5
198.03038	1.2
199.03973	11.6
201.01912	6.6
209.08186	3.6
211.13423	1.2
215.03487	5.0
216.04326	1.2
223.04091	1.8
240.04204	2.3
241.05040	6.6
242.05759	4.2
257.04590	3.3
258.05380	4.5
266.89194	1.2
285.04016	26.4
286.04807	33.4
287.05463	3.6
299.05624	2.5
310.04749	1.9
365.10498	1.8
371.15213	1.5
383.11368	100.0
384.11783	5.3
447.09192	2.5
448.10071	22.6
519.20233	1.2
545.16632	7.9
563.21143	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	581.1824
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
54.79852	1.1
58.12918	0.9
61.98828	1.2
62.96404	1.3
65.80183	0.9
69.72030	2.9
71.01379	1.2
71.89894	0.9
73.15262	0.9
78.95902	100.0
96.96014	25.9
96.96935	6.6
98.21853	1.0
98.95576	4.3
99.92577	10.4
100.93365	19.9
115.92072	19.7
116.92855	28.2
142.94406	1.2
150.98004	3.5
152.99582	25.4
155.95146	1.7
162.88918	1.3
163.89713	3.9
164.90492	11.8
171.00644	13.6
171.94716	1.0
172.95474	7.2
178.88432	14.0
178.92046	1.3
179.89214	37.7
180.05112	0.9
180.90013	27.0
181.90764	5.6
190.92061	1.4
193.24837	0.9
194.88034	1.1
196.87596	1.7
196.89470	34.0
204.89861	1.4
205.90778	11.1
206.91602	6.8
215.59911	1.0
219.92311	1.7
220.93083	1.0
221.90227	1.8
234.91025	2.7
235.91811	10.1
236.92593	29.0
252.92119	4.6
255.23221	2.7
270.93179	2.4
276.95685	2.7
278.93668	5.2
281.24631	1.2
292.95206	3.3
308.94916	1.5
309.95468	2.0
310.96252	7.9
312.37073	1.1
343.01114	1.2
367.87875	1.1
409.16824	1.7
473.14078	6.2
481.25571	1.7
483.27219	2.2
489.13681	1.3
490.14240	6.4
533.16052	3.9
545.16064	6.1
563.17084	8.7
581.18243	91.0
582.18585	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	581.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.3
59.01379	33.6
60.99289	2.5
61.98824	5.3
67.01885	7.4
68.99818	17.1
69.03456	25.3
71.01385	20.0
71.46285	1.7
72.99286	1.1
73.02936	2.8
75.00865	4.6
81.03458	2.4
81.57217	1.2
83.01372	1.9
85.02948	15.9
87.00864	8.5
89.02453	17.2
93.03454	34.1
95.01379	3.9
95.05035	4.2
97.02952	7.5
99.00860	1.5
101.02446	27.8
105.03418	1.7
105.12361	1.2
108.02147	1.4
109.02934	3.4
111.00914	1.8
111.04517	5.3
113.02441	4.8
119.03516	7.9
119.05008	2.5
121.02944	5.3
121.06577	2.4
123.04528	9.8
124.01678	1.6
125.02435	2.2
127.04000	1.3
133.01419	1.7
133.02966	6.8
134.03746	8.8
135.04529	14.1
136.01697	1.3
137.02460	7.2
147.04474	6.2
149.02434	5.0
149.06090	8.5
151.03986	2.8
155.03477	11.1
158.00197	1.2
159.04346	1.4
160.01637	2.8
161.02428	5.5
161.04564	1.9
165.05521	2.4
167.03447	1.5
169.05019	1.4
171.03012	1.2
173.04568	17.7
173.05984	1.9
173.09657	1.2
174.03177	2.3
175.03940	3.3
175.07578	5.7
177.01860	2.9
178.02702	3.8
179.03506	4.7
179.05658	2.3
179.10757	2.7
185.05981	2.3
191.05611	100.0
193.05089	7.1
201.05598	1.7
203.03513	3.9
203.07040	2.0
209.09679	2.1
211.07587	2.3
211.13370	4.1
219.06601	3.4
227.10748	5.5
229.05083	1.9
237.09117	2.3
247.02478	1.2
255.10226	20.0
269.04636	1.4
271.09641	1.6
281.11884	2.3
285.03986	3.3
299.09253	2.3
299.16394	1.6
308.08878	2.1
309.14795	4.2
327.15973	10.3
345.16983	5.6
351.07184	5.2
352.07883	3.4
353.13928	1.7
371.15021	18.8
383.11295	2.4
399.13010	1.5
407.17297	2.4
425.68997	1.3
435.16479	2.1
437.23630	1.5
443.18967	1.3
479.15634	20.1
511.14481	8.8
511.21759	3.0
549.15985	7.1
563.21320	38.1
563.30121	2.4
564.21576	3.1
581.22235	12.0
581.31982	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	581.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
57.03421	1.8
59.01379	25.7
60.99303	1.1
61.98842	5.2
61.99112	0.9
67.01881	3.8
69.03442	2.9
70.66738	0.7
71.01009	1.5
71.01380	21.7
72.99294	1.1
73.02938	3.9
81.03439	2.5
83.01363	1.4
83.05049	0.8
84.53500	0.8
85.02950	13.4
86.70985	0.8
87.00870	7.4
89.02445	25.4
92.02662	1.6
93.03454	29.6
95.01351	1.4
97.02941	3.4
99.00870	3.5
99.04504	1.0
101.02438	5.6
108.02195	1.9
109.02957	6.1
111.00890	1.2
111.04493	4.2
113.02455	3.6
116.92873	1.0
119.03481	1.5
121.02953	11.2
123.04522	1.5
125.02437	9.2
127.03987	3.0
131.03479	3.6
132.02141	0.9
133.02945	3.8
134.03751	5.7
135.04547	8.5
136.01646	1.1
137.02438	6.6
149.04539	3.8
151.00389	2.0
151.03966	2.3
152.01189	1.8
153.01863	1.3
154.02452	0.9
155.03433	1.6
159.49632	0.9
160.01672	2.5
161.02425	3.0
171.03001	1.1
173.04532	17.9
174.03261	1.2
177.01892	1.4
178.02657	1.8
179.03482	3.5
191.05615	100.0
192.05980	1.8
200.04779	1.1
211.13359	6.5
215.05542	1.2
227.07138	5.9
228.04326	1.0
233.06630	7.8
258.56616	0.9
285.04007	1.7
293.08798	23.0
294.09256	1.3
309.14917	2.8
327.16010	6.3
345.16983	3.9
351.07175	2.5
371.15027	17.1
383.11292	3.3
389.15778	1.7
401.15799	1.4
407.17130	3.5
429.10089	1.1
430.10562	2.5
521.33435	2.2
551.21234	2.2
563.21429	21.3
581.22314	21.1
581.31799	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	581.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86748	0.6
51.49210	0.6
57.03438	0.9
59.01380	16.6
60.56149	0.7
60.99309	1.2
61.98826	6.4
67.01894	4.2
68.37123	0.6
69.03461	4.0
70.01889	0.7
71.01385	16.1
73.02947	3.1
73.49441	0.6
75.00881	1.0
76.50748	0.6
78.91891	0.9
81.03460	2.6
82.95424	1.8
83.01407	1.2
83.05019	1.1
85.02956	12.8
87.00879	7.1
89.02451	13.4
92.02706	0.9
93.03458	30.4
94.03783	0.6
95.01405	0.8
97.02946	2.1
99.00883	2.5
101.02435	5.3
105.03443	0.8
107.01413	0.7
108.02188	2.3
109.02972	5.8
111.00880	1.3
111.04522	3.3
113.02477	3.4
115.03988	0.8
116.92889	0.8
119.03532	0.9
121.02961	8.8
123.04542	1.5
125.02460	6.3
127.04017	2.1
129.01909	1.0
131.03506	2.2
132.02171	1.1
133.02954	3.4
134.03755	7.2
135.00900	0.6
135.04536	8.9
136.01656	2.1
137.02457	6.3
143.03510	0.8
145.58400	0.7
147.02997	0.8
149.04555	2.6
150.03130	0.7
151.00331	2.1
151.03995	3.0
152.01149	1.0
153.01915	1.2
154.02405	0.6
155.03467	2.1
160.01666	2.6
161.02405	3.2
171.02971	1.2
172.05260	1.4
173.04568	18.5
174.03285	1.5
174.04953	0.7
175.03877	0.7
177.01923	1.1
178.02722	1.8
179.03502	2.5
187.04047	1.1
191.01962	2.2
191.05620	100.0
192.05949	1.6
199.04082	0.7
200.04796	1.3
209.03078	0.8
209.08162	1.3
211.13380	7.2
227.07146	4.1
233.06657	4.0
269.04617	0.9
283.13602	1.1
285.04077	1.9
293.08762	14.6
299.16458	1.0
309.14999	3.0
327.15976	6.0
341.14417	1.0
345.17044	4.0
351.07245	2.8
352.07959	2.0
353.14047	0.8
371.14993	13.1
383.11264	2.4
401.16275	1.7
407.16867	4.0
430.10672	1.9
449.27756	1.0
521.20294	1.1
521.33142	1.0
547.21729	0.7
551.21387	2.0
563.21307	22.7
564.21454	0.9
581.22400	23.3
581.31689	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	581.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95411	1.3
57.03435	1.3
59.01382	6.6
61.98829	9.9
63.69639	1.4
67.01897	7.0
68.99808	6.1
69.03461	5.0
69.21423	2.3
69.21828	5.9
71.01388	7.8
73.02942	2.6
81.03463	1.4
85.02954	9.6
87.00895	7.5
89.02457	2.0
89.55987	1.3
93.03461	35.0
95.01393	2.7
101.02428	11.0
105.03471	3.4
107.05012	4.3
108.02214	3.5
109.02978	3.2
109.81461	1.5
111.00847	1.7
111.04521	4.9
113.02460	2.0
121.02959	6.4
123.00883	2.6
123.04549	3.9
124.01671	2.0
125.02438	2.8
132.02179	3.3
133.02951	8.7
134.03787	8.6
135.04530	31.5
136.01674	18.9
136.05252	2.2
137.02434	7.0
138.03255	4.1
139.04021	2.3
143.03523	1.5
147.04547	1.8
148.01595	2.2
149.02470	6.7
149.06093	2.6
150.03194	2.3
151.00392	3.4
151.04008	27.9
152.01149	3.2
155.03491	3.7
159.00783	2.1
160.01636	5.9
161.02458	30.3
164.01241	1.8
164.04799	4.9
165.05542	2.4
166.02702	2.7
167.03506	3.3
173.04581	14.9
173.06026	2.3
174.03188	2.8
176.01140	14.7
176.04788	16.7
177.01947	8.1
177.05609	2.1
178.02756	3.6
179.03506	48.8
179.07042	7.0
181.98682	1.4
191.03551	10.5
191.05608	80.0
191.07137	6.7
192.04321	3.7
193.05038	1.9
194.05836	37.8
201.02078	1.5
203.03270	1.4
207.06596	3.3
209.04788	17.6
209.08179	100.0
211.13443	2.4
235.06122	6.0
285.04117	5.0
286.04758	3.7
308.09033	3.0
309.14877	2.5
327.15985	7.3
341.10233	4.3
345.17035	1.7
351.07172	5.8
352.07965	3.5
353.13516	1.5
356.08621	1.6
357.09839	7.9
358.10364	6.8
358.86832	1.9
371.11249	26.9
371.15137	13.8
372.11899	4.2
373.12894	9.2
383.11508	13.8
511.21848	22.7
537.42181	1.8
563.21283	53.3
564.21704	2.8
581.32471	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	581.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23064	2.0
57.03442	1.8
59.01378	100.0
61.98820	16.0
71.01378	68.6
72.01697	2.4
72.99276	2.8
73.02937	5.9
75.00858	2.3
83.01384	3.5
85.02945	14.3
87.00894	2.9
89.02440	92.6
90.02776	2.5
95.01376	4.2
99.00885	3.6
101.02446	35.1
102.02824	2.6
106.06229	2.0
113.02441	24.9
119.03497	30.3
123.13667	1.8
125.02410	2.6
131.03519	5.1
133.02930	3.8
135.04546	2.5
143.03506	7.0
149.04510	5.9
161.02443	4.4
161.04543	8.7
177.01819	3.7
179.05611	24.2
191.05576	12.7
255.10309	5.0
266.06122	2.2
281.77090	2.0
283.09836	15.6
311.09265	43.0
311.12836	2.2
326.11594	35.0
327.16580	2.4
341.09958	4.0
341.13910	44.0
342.14465	3.1
381.66840	2.5
389.16064	4.2
418.25476	5.5
419.25302	2.8
491.25281	3.3
521.25562	4.0
580.30499	17.1
581.23779	2.9
581.31024	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91586	1.0
58.00602	1.2
59.01382	100.0
61.98827	14.3
64.50683	1.0
64.94254	1.2
68.35621	1.2
71.01384	54.2
72.99293	2.6
73.02962	3.7
75.78372	1.1
78.91910	1.8
83.01372	2.6
85.02953	10.9
86.49583	1.1
87.00877	4.1
88.98787	1.1
89.02448	69.9
93.03442	3.5
95.01379	2.1
97.85248	1.1
98.22621	2.2
99.00871	2.2
99.04524	1.1
101.02444	34.1
109.02919	1.5
113.02454	20.7
114.93404	2.5
115.00363	2.8
116.92886	5.8
119.03512	31.3
121.02963	1.2
125.02458	2.4
131.03500	4.3
133.01447	9.9
133.02943	2.3
135.04538	2.7
137.02458	3.9
138.03185	1.6
143.03555	6.1
149.02481	1.9
149.04546	4.6
151.03984	2.1
153.05560	2.1
159.04520	1.3
161.02475	3.1
161.04536	6.1
165.05568	1.4
173.04587	1.7
175.04037	5.3
177.05566	1.6
179.03452	1.5
179.05600	12.0
187.04008	4.4
188.04727	1.2
190.06378	1.9
191.05615	8.7
202.06366	1.9
203.07193	1.5
205.01819	1.4
205.05045	5.2
219.06543	2.4
220.07384	4.4
223.06134	1.3
235.09692	3.8
269.14059	3.2
284.03326	1.4
285.04068	2.8
341.10010	4.6
355.12143	1.3
356.12692	2.5
371.15146	1.9
389.16006	1.9
389.21643	3.2
401.16083	37.8
402.16473	1.8
441.59018	1.1
447.09161	1.8
452.93982	1.3
464.25552	1.4
521.26025	27.0
581.22607	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	581.224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00639	0.3
57.03440	0.5
59.01377	6.9
60.99298	0.6
61.98830	2.5
67.01873	1.8
68.99802	0.4
69.03447	1.7
70.03729	0.2
71.01025	0.3
71.01386	4.7
73.02945	1.3
81.03468	0.6
83.01389	0.5
83.05022	0.5
84.95140	0.3
85.02950	9.2
87.00874	3.7
89.02447	2.7
93.03456	13.7
95.01408	0.3
98.21839	0.9
99.00883	0.5
99.04558	0.6
100.36613	0.3
101.02443	3.8
107.01338	0.3
108.02160	0.6
109.02945	2.2
111.00888	0.4
111.04509	2.3
113.02448	1.8
116.92826	0.4
119.03487	0.9
119.05067	0.3
121.02953	2.5
123.04468	0.5
125.02413	1.0
127.04032	2.7
129.01866	0.5
133.01425	0.4
133.02940	0.9
133.06606	0.3
134.03737	1.2
135.04518	1.6
136.01659	0.5
137.02443	16.3
143.03409	0.3
146.03754	0.6
147.04527	0.9
149.02441	10.5
151.00348	0.8
153.01849	0.3
155.03491	1.1
159.04515	0.7
161.02480	1.6
161.04546	0.6
161.05989	0.3
163.04080	0.4
164.04802	8.0
167.03447	0.4
169.83977	0.3
171.02933	0.6
173.04562	5.0
173.05989	0.5
174.03142	0.5
174.06876	0.7
175.00391	0.4
177.01979	0.3
179.03462	0.7
179.05669	0.5
179.07150	1.0
187.03999	2.1
187.07634	0.5
188.04723	0.6
190.02679	0.6
191.05609	100.0
192.06013	1.2
197.06052	0.8
198.06752	0.3
202.06288	0.5
205.05052	0.6
208.03844	0.6
211.13379	0.3
215.07137	0.4
223.06104	13.6
225.14891	1.1
269.14014	0.4
283.13342	0.6
285.03970	0.5
299.16531	2.4
301.14523	0.6
305.96255	0.3
309.14966	3.4
317.17526	1.0
325.14374	0.4
327.16028	5.8
337.07120	0.4
345.17184	2.2
353.08621	0.8
353.13867	0.6
371.14932	6.9
372.15677	0.3
380.09235	0.3
381.09659	0.8
383.11188	1.0
389.16046	1.0
407.16968	0.6
443.19223	20.5
444.19479	1.0
448.59802	0.3
490.69467	0.4
521.25787	0.6
521.33185	6.3
543.15015	2.0
545.15808	0.5
563.21313	2.8
581.22418	21.7
581.34723	1.9
582.22589	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
69.34858	2.2
71.01385	4.6
73.02959	0.9
85.02982	1.1
89.02449	2.6
99.00870	0.7
101.02460	2.3
113.02460	1.2
115.00386	7.1
121.02979	1.1
125.87938	0.5
133.01433	17.3
135.04503	1.0
147.04555	0.8
161.04581	1.0
165.05611	1.2
175.04019	1.3
188.04832	0.7
189.05534	1.0
190.06419	1.1
191.05656	0.9
191.07210	1.0
205.08661	1.4
208.07510	1.6
222.08978	0.6
255.10385	1.4
269.08179	7.7
281.08218	0.8
283.09692	3.8
284.03427	1.5
285.03992	2.7
298.12421	0.7
299.09241	4.5
310.12234	0.6
311.09232	8.3
311.12531	0.7
314.11560	11.0
315.12360	0.7
326.11575	8.7
329.13934	44.3
330.14471	1.1
341.13925	26.4
342.14252	1.3
359.15170	1.8
389.16086	7.8
389.21359	0.9
447.09274	3.2
479.15741	0.7
521.25818	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	581.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.3
59.01380	99.2
67.01885	2.3
68.99820	61.9
69.03465	12.9
71.01384	48.4
71.05003	5.4
71.08810	2.2
73.02961	1.9
80.02209	1.7
83.01405	1.4
85.02940	10.7
87.00874	3.4
89.02442	43.7
91.78684	1.4
93.03445	3.7
95.01373	3.8
95.05039	2.9
97.06564	2.6
99.00876	5.1
101.02447	77.2
106.04259	2.8
109.06612	2.2
111.08215	1.6
111.97344	1.3
113.02451	15.0
119.03513	19.9
119.05022	5.1
121.02953	2.7
131.03496	2.4
134.03763	3.5
135.04512	4.6
136.01648	1.8
143.03535	2.6
147.04541	1.9
149.02437	3.8
149.04605	1.5
149.05971	1.8
151.00288	3.0
151.11415	1.6
158.03659	2.0
161.04538	3.4
163.04025	6.2
164.01138	5.4
171.04475	2.5
172.05301	1.7
172.77948	1.5
174.03189	1.7
177.12881	2.5
179.05588	5.0
181.05049	2.6
183.13972	1.5
184.05286	2.8
191.05666	2.4
193.12300	2.8
193.15962	2.8
199.03972	2.1
209.15500	7.0
211.13399	19.0
219.13884	4.2
225.14996	2.4
227.14465	3.5
229.15971	7.2
237.06363	1.4
237.14970	37.7
245.15457	18.7
246.25974	1.5
247.13344	14.1
251.16364	2.0
255.02916	1.6
255.13898	2.2
261.14905	1.7
271.13425	3.4
273.14960	21.5
285.04016	7.4
286.04791	3.4
289.14252	2.3
289.18173	2.5
297.18539	2.6
299.16754	1.8
317.13821	7.5
317.17480	43.6
317.21356	2.4
318.17709	1.7
323.16266	2.5
325.18149	3.9
341.17645	7.7
349.16510	58.9
350.16724	2.6
351.15939	1.6
357.20758	14.5
369.17108	11.4
383.11353	15.1
387.18115	10.2
401.19763	12.9
419.20709	11.5
479.22824	3.1
511.22025	7.1
545.16626	2.0
549.24146	1.8
581.26031	100.0
582.26489	5.0
598.86133	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	581.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	26.9
61.98826	4.1
63.02406	1.4
65.00320	9.7
65.17426	0.6
69.03465	1.1
69.20444	1.4
69.20845	3.0
71.01383	13.1
72.99304	1.2
73.02956	3.1
78.91885	1.8
83.01388	4.1
83.01833	0.7
85.02969	3.0
89.02444	20.4
93.03461	1.4
98.21918	1.2
99.00887	4.8
101.02454	9.8
107.01390	15.7
109.02930	1.2
113.02446	3.1
115.00401	0.9
116.92844	0.8
119.03510	1.9
122.12441	0.6
125.02456	5.9
131.03503	3.0
133.01448	1.7
133.02916	0.8
135.04527	60.9
136.04842	1.7
149.04564	8.8
151.00372	100.0
152.00771	1.6
153.09247	0.8
159.04478	1.2
161.02411	3.8
161.04535	1.5
164.01138	0.8
165.01886	1.4
165.05553	0.6
169.01411	1.1
177.01973	1.5
179.03424	0.8
179.05630	1.7
191.05591	11.5
199.04060	0.7
201.05652	0.9
235.67831	0.6
243.06602	1.3
251.07637	0.8
269.04434	1.5
269.08295	0.7
270.04962	1.7
271.05090	1.9
272.05408	1.1
285.04272	1.4
286.04605	0.8
287.05612	56.9
288.05994	2.5
299.12866	0.9
307.08099	0.7
311.09268	1.1
314.11270	0.8
317.13721	1.9
326.11523	1.1
329.13864	4.6
341.13824	4.0
345.13306	0.8
389.16107	6.8
490.36398	0.7
521.26050	30.7
522.26239	1.5
542.17450	0.7
581.14996	46.2
582.15308	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	581.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	17.8
63.96224	1.6
66.02770	0.9
69.21496	5.8
71.01385	8.1
73.02930	2.4
78.98576	6.7
79.95735	12.1
79.97572	0.9
80.96514	74.3
85.02932	3.4
87.00839	2.8
94.97575	1.4
94.98093	17.6
96.96015	1.6
97.02932	2.1
101.02419	2.7
103.01487	11.5
106.98045	3.5
122.97543	3.7
125.02425	4.0
132.03740	0.9
134.97589	5.1
136.99120	1.9
143.73035	0.9
148.86520	0.9
148.99164	5.8
152.98596	5.4
164.98669	11.0
177.31955	0.9
206.99699	2.0
225.00763	13.4
234.82069	1.2
235.80830	0.9
281.24698	1.6
289.18002	1.8
299.04285	3.1
354.70200	1.1
388.08838	1.1
455.35150	1.8
581.29706	100.0
582.30115	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	581.3
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00566	0.4
59.01377	15.4
63.96235	1.0
69.77494	0.6
69.77866	0.9
71.01376	5.8
73.02936	1.6
73.48646	0.4
78.98598	5.1
79.95738	8.6
80.96514	56.8
81.03453	0.9
83.01395	0.4
85.02951	2.2
87.00881	2.3
92.90904	0.4
94.22759	0.4
94.98087	13.7
96.95998	4.1
97.02933	1.7
99.00860	0.5
101.02438	3.2
103.00804	0.7
103.01493	11.8
106.98093	2.4
113.02490	0.4
122.97570	5.1
125.02460	2.7
127.03965	0.5
134.97574	3.8
136.99112	1.4
146.97571	0.6
148.99139	5.6
152.98637	6.1
152.99820	0.5
164.97256	0.6
164.98622	10.5
175.47275	0.4
182.99617	2.4
206.99736	3.3
207.35870	0.4
221.64905	0.4
225.00739	16.6
243.01720	1.8
281.24960	3.6
299.04343	2.8
425.82468	0.4
455.35251	4.7
513.31177	0.5
537.35370	1.4
581.29620	100.0
582.30060	4.9
601.95398	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.6
61.98828	100.0
64.18333	0.3
69.20819	1.5
78.95904	0.8
80.96526	0.5
82.96101	1.1
85.20994	0.3
96.37110	0.3
152.99559	0.6
182.93340	0.3
206.59723	0.3
279.23254	2.6
280.21042	0.4
280.23572	2.2
281.23993	1.1
282.24426	0.9
294.86392	0.3
383.97177	0.3
504.31219	0.7
505.31580	0.5
507.31876	1.1
581.27045	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
57.03445	3.3
59.01379	52.6
60.99287	1.7
61.98831	10.9
67.01889	4.0
68.99808	2.0
69.03448	3.8
71.01381	34.5
71.01778	1.7
72.99308	1.2
73.02942	7.4
75.00861	1.4
78.21959	1.2
78.95945	1.2
81.03474	1.6
81.96602	1.1
83.01387	4.1
83.05037	1.5
85.02950	19.4
87.00877	8.0
88.98814	1.5
89.02443	26.6
93.03459	36.5
95.01398	2.6
97.02949	3.3
99.00867	3.1
101.02441	19.4
107.01437	1.1
107.05044	1.7
108.02162	1.6
109.02959	6.6
111.00898	1.2
111.04505	3.8
113.02457	11.3
115.92058	1.4
116.92896	1.5
119.03492	4.1
121.02952	66.3
123.04525	2.2
125.02479	7.7
127.04006	3.9
129.01923	2.0
131.03484	3.7
132.02180	1.3
133.02965	6.4
134.03754	8.6
135.04555	9.3
137.02449	15.4
149.04575	7.7
150.03174	1.7
151.00346	3.9
151.04004	2.9
155.03487	3.4
160.01685	3.1
160.15741	1.1
161.02460	7.8
161.04485	2.0
165.00116	3.8
167.03514	2.5
172.05219	1.1
173.04579	17.4
177.01945	3.7
178.02727	3.4
179.03491	4.9
187.03925	2.1
191.05614	100.0
192.05952	1.9
197.06071	1.5
202.45035	1.0
211.13327	6.8
212.63307	1.4
215.07185	1.3
222.61354	1.1
227.07153	8.7
231.10210	1.5
233.06612	2.3
241.43202	1.2
269.04532	1.3
285.03995	3.2
286.04471	1.1
293.08786	16.6
327.15811	6.0
340.07886	1.1
345.16971	3.9
351.07233	1.9
353.13702	1.7
359.28055	8.2
371.15024	16.1
372.15060	1.2
376.46423	1.1
383.11398	5.9
389.15680	1.3
401.16174	3.6
407.17093	4.7
413.10889	3.0
415.12610	6.6
416.12729	1.3
435.17014	1.2
443.17429	1.3
449.27216	3.3
511.21793	1.5
519.15192	3.6
521.20282	3.6
521.33264	65.1
522.33582	2.0
543.15894	1.3
551.21283	1.7
563.21149	19.2
564.21942	1.4
581.13049	2.2
581.22333	28.0
581.31799	7.5
582.22314	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	582.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	16.6
61.98827	58.9
67.01878	1.2
68.99808	3.6
69.03454	7.9
71.01382	11.1
73.02937	1.1
81.03446	10.1
83.01363	1.4
85.02963	6.2
85.03399	0.9
87.00878	4.4
89.02430	7.3
93.03463	6.2
94.03779	1.9
99.00909	1.2
101.02440	11.0
109.02953	8.7
111.00898	1.4
113.02455	6.8
119.03510	3.1
121.02943	3.7
123.04462	1.1
124.07663	3.9
125.02439	12.4
127.04007	2.9
133.02971	15.4
134.03717	2.2
135.04532	13.2
137.02431	3.7
149.02437	6.7
150.03191	1.2
153.05545	1.3
155.03523	1.3
161.02440	94.3
162.02744	1.8
173.04608	5.1
173.05951	1.5
177.05545	2.1
179.03494	11.1
179.05579	2.1
181.04967	2.4
183.10228	1.4
187.04114	1.1
191.05594	21.7
191.07268	1.3
192.05972	5.3
220.39352	1.0
221.04486	2.3
229.90620	1.1
246.11397	1.8
253.05035	4.3
266.08206	9.8
267.08865	2.6
274.11053	1.2
283.13531	1.0
299.16397	1.0
309.15063	1.3
318.09909	1.2
323.07706	9.7
327.16107	2.1
345.17038	1.7
346.17532	2.2
357.15552	2.1
371.14978	2.4
372.15250	1.8
376.11926	3.0
393.11884	12.8
408.17487	1.5
420.10870	20.0
444.18961	1.3
457.13391	2.6
517.91650	1.0
519.15057	100.0
519.23743	4.5
520.15155	5.6
521.26422	1.2
521.33374	5.1
522.26227	1.7
522.33508	2.7
563.21973	1.3
564.21637	2.6
581.22302	1.6
582.22504	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.8
59.01378	23.3
61.98827	11.9
67.01887	3.9
68.99815	14.0
69.03456	15.1
71.01376	9.6
83.01386	1.4
85.02950	4.5
87.00870	16.3
89.02448	10.0
93.03443	8.6
95.01340	1.8
95.03772	1.0
95.05029	1.9
96.08179	1.3
98.21885	2.2
99.00895	2.5
99.79076	1.0
101.02445	23.4
105.03391	1.0
109.05320	1.2
113.02441	10.4
119.03506	4.9
121.02949	11.5
124.07668	21.3
127.04005	8.5
133.02939	1.9
135.04524	2.5
137.02396	1.4
145.06596	1.0
149.02444	27.0
149.06049	1.8
150.03157	1.3
150.09224	4.4
152.07088	1.1
153.05548	7.0
160.07645	0.9
161.02425	8.4
161.04510	1.3
167.03455	0.9
173.04510	3.3
173.05933	1.7
179.03485	3.0
179.05591	1.6
181.05063	10.1
189.47618	0.9
191.05545	6.7
192.05937	2.4
222.07671	2.3
225.03957	1.0
246.11330	6.1
262.10690	2.0
272.09171	2.3
274.10892	5.8
288.12360	2.2
298.14569	1.4
304.11703	0.9
306.13516	3.3
318.09796	4.1
342.13452	1.1
350.12601	1.4
372.15399	1.4
402.15683	1.4
420.10715	1.3
457.13547	15.5
469.28723	1.2
519.14764	2.0
521.26111	1.7
521.32611	1.7
522.26276	5.6
522.33533	2.2
564.21576	1.9
582.21881	100.0
583.22540	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	582.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
59.01383	4.4
60.01740	0.4
61.01816	0.4
61.98831	100.0
63.81440	0.3
63.99253	0.3
67.01904	0.6
68.02255	0.3
68.99823	1.0
69.88744	0.3
71.01388	3.9
72.01729	0.6
73.01808	0.4
73.02951	1.0
83.01392	0.5
85.02956	0.8
89.02437	3.2
90.02789	0.6
91.02907	0.5
99.00902	0.3
101.02450	6.4
102.02789	0.8
113.02472	0.7
123.08188	0.4
125.02481	0.4
127.04025	2.7
128.04344	0.5
131.03552	0.5
147.04510	0.4
149.04562	0.7
150.04936	0.3
154.09601	0.3
155.10782	0.3
161.04546	0.4
163.11330	0.5
164.04982	0.3
164.11687	0.3
165.05620	0.5
179.07224	0.4
189.12901	0.6
190.13284	0.5
191.05612	0.6
197.08159	0.4
198.08562	0.3
207.13982	0.5
208.14262	0.5
227.09279	2.4
227.16589	0.5
228.09500	2.8
228.16901	0.5
316.49261	0.3
318.11774	0.3
343.12070	0.4
359.13715	0.5
360.13971	0.7
389.21454	0.3
390.21686	0.3
421.11356	0.4
520.24805	0.8
521.25085	1.9
522.18896	1.0
522.25751	10.7
573.44092	0.4
582.33514	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57458	0.7
61.98830	100.0
63.75624	0.7
63.81931	0.8
69.22785	4.0
78.95905	19.3
79.95765	1.5
81.22516	0.7
92.46059	0.7
96.95387	1.4
96.96009	29.6
97.95973	1.0
98.95620	1.1
99.92590	1.8
100.93366	2.8
115.92101	3.8
116.92849	5.3
152.99564	5.9
171.00734	1.3
172.95348	0.8
178.88507	1.7
179.89218	4.3
180.90039	3.7
181.12343	0.9
181.90874	0.8
196.89490	5.2
198.43877	0.9
205.90901	1.5
221.90410	0.9
225.11331	1.0
235.91824	1.6
236.92603	3.5
243.12219	1.5
255.23360	2.3
256.23746	2.4
418.13843	0.7
475.16135	0.8
481.26144	1.7
484.27701	3.0
492.15396	0.9
513.36230	1.8
519.33521	2.9
582.18732	3.8
582.32599	2.3
583.19885	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69743	0.7
61.98831	100.0
78.61115	0.7
78.95899	15.7
78.96323	1.2
82.96127	1.0
96.96013	2.1
98.95612	1.4
98.98309	0.9
99.92594	1.3
100.93333	0.9
107.05101	0.7
108.14906	0.8
115.92093	2.0
116.92124	0.8
116.92887	2.7
117.92902	1.3
134.82933	0.7
152.99553	5.8
163.89925	0.9
171.00653	2.0
172.95430	0.9
179.89265	3.5
180.89072	0.7
180.90074	1.1
181.89987	0.7
196.89563	2.3
197.89571	1.8
236.92615	3.1
237.92726	1.6
245.04257	3.6
253.21729	1.7
481.25482	3.5
564.17633	1.2
582.18787	11.7
582.29132	3.1
583.19617	1.2
592.63995	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45016	1.5
59.01373	30.0
61.98825	3.7
69.50151	7.1
71.01366	11.4
73.97808	1.6
78.95869	1.9
80.58920	1.7
89.02445	5.3
93.07088	2.5
98.22564	2.5
101.02441	4.1
106.04237	6.3
107.57385	1.7
109.02943	3.0
115.00363	7.5
119.04996	3.2
121.06587	94.1
133.01440	17.9
133.02917	9.6
134.03726	4.7
135.04520	73.3
137.02495	2.0
148.05298	3.1
149.06091	11.7
153.01961	4.4
153.09198	18.8
161.02434	56.4
161.04448	2.8
165.05551	95.0
166.05786	2.0
177.05568	24.1
179.03485	80.7
180.03967	1.9
191.05602	2.8
197.08243	4.1
221.04514	39.9
226.89128	1.5
241.07155	35.4
251.05585	53.4
256.57388	1.7
275.30508	1.6
281.06656	80.9
282.07339	2.1
287.05551	2.6
315.07205	2.2
323.07660	5.0
330.14334	2.4
331.14429	5.0
341.08749	100.0
342.09445	2.2
342.14142	2.4
343.14270	2.6
413.89758	2.0
421.13126	1.9
583.16541	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	583.1981
Annotation	6''-Demethoxyneocalycopterone
Peak:m/z	Relative Intensity
60.77242	0.7
62.96421	1.0
63.39879	0.7
67.47005	0.7
69.54718	3.3
71.07980	0.7
78.95905	70.0
80.96486	1.1
96.96008	3.4
96.96973	4.3
98.22651	1.1
98.95594	3.1
98.96376	0.8
99.92603	5.6
100.93376	13.0
115.92080	17.2
116.92874	21.1
117.92941	0.7
118.83058	0.9
120.97013	1.5
121.75592	0.9
125.00182	0.9
142.94458	1.5
150.98047	4.1
152.99593	25.9
162.88977	1.5
163.89737	3.5
164.90509	4.7
171.00659	3.9
172.95467	6.0
178.88426	9.9
179.89224	21.0
180.90013	16.6
181.90857	4.5
190.92049	1.5
196.89471	27.3
197.89662	1.1
199.09972	0.8
205.90794	6.1
206.91519	4.0
218.91605	1.0
219.92172	1.3
221.90208	1.1
234.91029	1.0
235.91843	7.0
236.92604	22.1
236.94901	1.6
252.92163	2.7
253.92798	1.0
255.23233	7.2
270.93170	2.5
278.93591	1.6
281.50653	1.0
301.96448	0.9
308.94727	1.1
409.23944	1.0
435.12067	1.1
475.15619	7.6
492.15814	5.9
517.16595	0.9
535.17584	4.3
547.17529	6.3
583.19800	100.0
584.20349	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	583.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.9
59.35235	1.0
59.65017	0.9
61.98823	3.8
68.99821	1.0
69.03444	1.2
69.09036	3.8
69.09439	1.7
71.01385	2.9
73.02967	1.1
85.02958	1.5
89.02422	1.6
90.30666	1.0
93.03464	5.6
97.02910	1.0
100.89186	0.9
101.02450	2.6
109.02959	1.2
116.73875	0.9
117.22815	0.8
119.03470	0.8
121.02917	4.1
122.03745	16.3
123.04544	1.9
124.31630	0.8
124.58733	0.8
127.89211	0.8
133.02943	2.7
134.03749	2.1
135.04512	2.9
136.01683	1.3
137.02406	2.1
149.02452	26.3
150.03226	92.1
151.00372	1.6
151.03624	1.0
156.77618	0.8
161.02448	1.7
164.04770	6.1
165.05565	100.0
166.05862	1.4
167.03526	1.1
173.04510	1.8
174.78244	0.9
175.03987	1.3
177.05563	3.1
179.03523	1.2
180.04260	6.3
190.06384	1.7
191.05583	4.3
192.05858	1.7
195.06619	62.7
209.06265	1.0
240.07767	1.9
256.07339	1.1
268.07504	1.8
269.04541	1.4
277.14359	1.0
283.09747	1.7
295.09540	1.0
296.15250	1.4
297.11237	1.1
308.06964	1.4
308.10510	1.9
309.07449	1.1
312.06488	1.4
313.10733	1.2
323.09290	1.9
324.06384	1.9
324.10147	2.4
325.10803	2.9
326.11542	3.7
327.08722	5.3
338.11453	1.0
339.08701	8.8
339.12311	1.9
341.14011	1.3
342.11050	7.6
354.11139	3.5
357.13446	25.0
358.13895	1.4
369.13449	27.2
372.14899	1.2
383.11243	0.9
461.16104	1.9
487.17645	2.0
505.18826	8.0
517.18573	1.9
523.34814	3.0
535.19739	45.5
536.19922	2.3
553.20508	1.4
565.21692	1.6
572.27136	1.0
583.22247	6.1
583.32764	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	583.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35195	0.6
59.01379	6.0
61.98830	13.5
63.12539	0.5
63.28075	0.5
68.46735	0.5
68.99800	0.8
69.03470	1.3
71.01384	5.3
71.44517	0.5
73.02952	0.9
85.02946	2.5
87.00899	0.7
89.02456	4.2
93.03448	5.2
95.01392	0.6
95.05038	0.5
96.95999	0.5
99.00870	0.8
101.02441	3.2
105.03428	0.7
108.02180	1.5
109.03013	0.7
111.04536	0.6
113.02483	1.3
115.04265	0.5
119.03498	1.4
121.02929	4.7
122.03745	14.5
123.04535	1.0
125.02438	2.0
133.02962	3.4
134.03763	0.7
135.00934	0.6
135.04541	2.4
136.01662	1.0
137.02441	0.9
149.01242	0.8
149.02446	15.6
149.04431	0.6
150.03221	91.3
151.00354	1.0
151.03659	0.7
152.01115	1.9
153.05515	0.5
155.03479	0.8
155.10710	0.9
160.01611	1.4
161.02411	2.5
164.04837	3.4
165.05563	100.0
166.05853	1.6
173.04575	1.4
174.69991	0.5
176.16701	0.5
179.03500	1.5
179.05507	0.7
180.04263	5.5
190.06345	1.2
190.77802	0.5
191.05595	3.3
192.05989	0.8
195.06619	69.4
196.06958	1.0
197.08136	0.6
223.93224	0.5
227.57660	0.5
240.07851	0.5
256.07214	0.5
262.12659	0.5
268.07446	2.4
269.04565	0.9
280.07407	0.7
283.06079	0.6
283.09656	1.4
293.08765	1.7
296.06870	1.0
308.06815	1.2
309.07697	1.5
311.09424	0.6
312.06400	1.4
322.08267	0.6
323.09103	2.3
324.06369	1.2
324.10025	1.4
327.08682	5.2
327.12146	0.9
338.11475	1.5
339.08664	8.3
339.12213	1.1
340.08984	0.5
342.11047	5.4
354.11154	3.3
357.13412	21.3
358.13934	0.8
369.13431	23.5
370.13629	0.8
392.45743	0.5
421.05771	0.6
421.27774	1.2
429.10443	1.1
505.18634	1.4
523.34753	1.7
535.19550	2.0
547.31305	0.8
553.21619	0.7
565.21417	0.9
583.21429	1.9
583.28876	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	583.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24177	0.5
58.26284	0.6
59.01379	6.8
61.98830	15.5
69.03442	1.1
69.10945	3.8
71.01385	5.4
73.02969	1.0
83.01381	1.2
85.02950	2.6
89.02441	4.2
89.02913	0.7
93.03462	5.3
95.01418	0.7
97.02963	1.2
98.21877	1.3
101.02444	3.4
105.03481	1.1
108.02202	1.1
109.02991	1.0
113.02447	2.2
116.09777	0.6
119.03453	0.8
121.02947	4.2
122.03745	15.6
125.02462	1.5
131.03604	0.6
133.02966	2.9
135.00848	1.2
135.04565	3.1
136.01656	1.4
137.02420	1.0
149.02443	16.2
149.04454	1.3
150.03227	94.4
151.00417	0.7
151.03781	0.9
152.01154	2.0
160.01662	0.8
161.02417	2.6
163.04007	0.7
164.04832	3.6
165.05571	100.0
166.05887	2.0
173.04538	1.7
176.04872	0.7
177.01996	0.7
179.03545	1.5
180.04320	7.8
187.98343	0.5
190.06436	1.0
191.05569	3.5
195.06622	76.8
196.07034	1.0
240.07909	0.9
243.06717	0.7
264.86615	0.8
267.07034	0.7
268.04941	0.6
268.07346	2.9
269.04578	0.7
283.09674	1.9
285.03882	1.0
290.69275	0.6
291.06760	0.7
293.08691	1.9
296.06836	1.7
308.06870	1.4
309.07568	1.5
311.09210	1.1
312.06412	2.1
313.10693	0.9
322.08304	0.8
323.09427	4.0
324.06287	1.6
324.10022	2.4
327.08768	5.2
338.11636	1.4
339.08673	7.8
339.12503	1.4
340.09036	0.7
342.11099	4.9
354.11133	3.8
357.13470	26.2
358.13486	0.8
369.13406	29.3
370.14017	0.8
421.27896	0.8
429.10236	2.0
505.18231	1.0
523.34900	2.2
535.19745	1.7
553.20612	1.1
565.21716	1.1
583.20746	1.3
583.28009	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	583.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47176	1.9
55.51685	2.0
57.03443	2.1
59.01377	100.0
62.03573	2.2
64.87756	2.0
71.00352	4.2
71.01008	3.5
71.01380	53.3
85.02940	9.4
87.00871	4.5
89.02446	83.0
95.01383	3.2
95.05030	3.9
95.97581	2.2
96.96054	1.9
97.02872	2.2
101.02441	27.9
105.08265	1.8
113.02440	22.0
119.03493	28.1
131.03448	4.9
143.03491	6.8
149.04555	3.7
161.04491	10.5
164.07149	4.1
179.05600	53.9
244.02757	10.8
250.11909	2.4
266.78857	2.0
285.28546	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2532
Annotation	kirkinine D
Peak:m/z	Relative Intensity
55.01869	3.5
59.01381	48.8
61.98834	27.8
69.03448	5.4
71.01387	34.7
71.56632	2.5
72.99306	5.8
73.02956	14.8
82.95416	17.5
83.01390	3.0
85.02953	15.6
85.09367	2.6
87.00867	6.1
89.02451	32.3
93.03447	5.8
99.00877	6.4
101.02447	29.9
102.28791	2.4
109.02978	3.9
113.02455	10.9
119.03507	4.5
121.02958	4.2
125.02383	3.6
126.80300	2.5
131.03508	5.1
133.02969	10.4
135.04489	10.9
137.02444	7.3
141.01697	7.7
149.02515	5.0
149.04584	24.7
150.03206	14.2
150.85716	2.5
153.01929	4.0
155.03432	5.0
161.02446	26.2
161.04587	3.5
165.05563	16.3
173.04539	3.8
177.05664	3.7
179.03513	9.4
191.05615	14.9
192.05969	3.3
195.06596	8.9
221.06589	5.5
298.00772	2.7
341.08948	3.5
377.18216	4.8
434.63388	3.0
451.28671	5.4
523.28021	3.9
523.35046	9.0
539.21332	8.3
547.28021	29.1
565.23492	3.0
583.25085	100.0
583.33447	23.6
584.25531	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	583.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
59.01381	20.4
61.98824	8.7
69.03448	1.9
70.28538	1.3
70.50384	1.6
71.01382	15.8
73.02944	4.0
78.91891	6.0
83.01360	1.5
85.02944	7.7
87.00888	3.2
88.98801	2.0
89.02442	10.7
93.02869	2.0
93.03457	35.9
99.00862	2.1
101.02448	12.6
104.77409	1.2
109.02956	2.1
113.02460	6.7
116.92894	2.6
119.03481	2.3
121.02974	1.3
123.00909	8.1
123.04552	2.2
124.01665	23.2
125.02451	17.7
130.15872	1.2
133.02957	4.8
135.04536	4.2
135.76089	1.3
137.02443	51.2
149.02425	2.7
149.04510	2.3
149.99586	32.1
150.03230	10.0
151.00298	2.3
151.03983	2.4
161.02435	9.6
161.04562	2.7
163.03976	1.8
165.01915	2.6
165.05553	8.1
167.03514	2.4
168.00636	73.5
169.01366	6.0
173.04565	2.5
179.03491	5.0
179.05699	1.6
180.04179	1.6
191.03842	1.2
191.05574	8.6
192.06000	1.5
195.06659	7.7
209.08229	1.5
225.07767	1.7
255.03073	1.6
283.02487	1.7
285.04068	1.7
327.15442	1.5
331.06540	2.3
335.15417	1.4
403.23120	7.9
415.23737	1.5
445.09930	9.0
447.09076	2.1
448.85098	1.4
451.08740	2.0
463.11011	10.3
523.35120	4.1
535.20135	1.8
547.27911	19.9
583.13043	100.0
583.24841	30.8
584.13727	9.8
584.22571	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	583.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22132	1.7
53.76058	2.3
55.01887	2.4
57.03424	4.0
59.01378	61.8
61.98827	52.3
63.50961	1.8
68.99843	2.3
69.03453	2.0
71.01379	37.1
73.02941	10.2
83.01368	6.5
85.02945	18.4
86.83254	2.0
87.00861	2.4
88.98796	2.7
89.02435	26.0
92.74498	2.1
93.03464	5.4
95.01402	3.2
97.02908	2.3
99.00858	5.8
101.02425	30.3
106.85491	2.0
109.02950	4.7
111.00838	3.0
113.02442	17.3
119.03516	10.5
121.02944	4.7
123.04499	5.6
125.02422	6.6
131.03514	4.6
133.02948	13.9
134.03682	1.8
135.04524	9.5
137.02426	5.7
143.03476	2.2
147.04478	2.0
149.02414	4.9
149.04553	5.4
150.03230	13.9
151.00388	7.4
151.03937	2.9
161.02448	37.3
161.04536	4.9
165.01976	2.6
165.05565	15.8
167.03477	9.0
172.05324	2.8
173.04555	4.9
177.01981	3.1
179.03513	4.8
179.05681	2.6
180.04276	3.1
187.07668	3.6
191.05592	8.5
193.06300	2.4
195.06683	12.9
205.12262	3.2
215.07130	5.0
269.04568	5.9
283.13382	5.7
284.03268	10.1
285.04053	30.6
309.14923	4.3
327.16022	6.8
345.17053	6.1
361.29486	10.0
383.11246	8.6
389.15958	3.4
403.23102	12.7
421.20547	4.4
431.17026	4.6
447.09189	6.1
489.10321	7.7
523.21869	4.4
523.34845	100.0
524.35480	2.8
535.19513	6.3
547.14355	12.7
547.21606	15.1
547.28961	21.5
548.14984	2.6
583.24957	54.0
584.25745	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.8
59.01379	48.8
61.98822	16.8
69.03448	2.3
71.01382	31.8
72.99326	1.2
73.02951	9.2
73.42999	0.9
75.00854	1.2
77.75179	0.9
83.01390	4.8
84.65730	1.0
85.02948	13.5
85.50356	0.9
87.00871	2.9
88.98791	2.3
89.02448	16.6
93.03468	3.3
95.01368	2.1
98.22686	2.2
99.00863	3.6
101.02441	22.7
105.04075	1.1
109.02967	3.8
113.02439	14.2
119.03519	5.4
121.02947	2.6
123.04470	1.5
124.96583	0.9
125.02460	2.6
127.03989	1.2
131.03496	2.0
132.02176	0.9
133.02963	12.0
134.03642	1.0
134.28749	0.8
135.00903	0.9
135.04529	7.9
137.02437	4.5
143.03569	1.2
149.02432	2.9
149.04515	3.1
150.03212	5.4
151.00374	2.8
151.04030	2.2
153.02121	1.1
155.03436	1.3
159.03061	1.3
161.02441	38.9
161.04588	3.6
162.02907	1.4
165.05574	6.4
172.05190	1.0
173.04611	1.9
177.01891	2.3
177.05455	1.4
177.95297	0.9
178.02586	0.9
179.03531	5.2
179.05569	2.1
180.04176	1.8
181.05115	1.7
191.05608	7.3
192.05940	1.2
195.06593	4.7
197.06050	1.0
205.12186	1.7
209.08321	1.0
213.07576	0.9
221.04579	1.3
229.18080	1.0
231.10110	0.9
245.54314	0.9
259.18924	1.0
269.04587	2.2
281.07101	1.0
283.13397	3.2
284.03214	12.3
285.04044	28.7
286.04468	0.9
301.14374	1.9
309.15338	1.7
327.16031	4.8
345.17068	3.5
359.27829	1.2
361.29639	10.1
371.14871	2.0
383.10999	1.3
387.14398	1.2
389.15991	2.5
403.23294	5.9
403.90289	0.9
421.20715	2.9
447.09308	2.4
461.18411	1.4
489.10361	6.9
491.19308	1.5
523.34863	100.0
524.35181	2.7
535.19830	1.6
547.14398	13.7
547.21790	19.1
547.28094	5.4
565.22919	1.2
583.24622	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	583.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
55.33911	0.7
57.03440	1.0
58.00565	0.9
59.01381	46.8
60.99308	0.6
61.98560	0.7
61.98831	5.4
68.99812	1.0
69.03432	1.8
71.01385	36.7
72.99293	1.4
73.02557	1.0
73.02949	18.0
75.00851	1.3
83.01371	2.3
85.02956	8.8
87.00890	3.0
87.04494	0.8
88.98796	2.2
89.02447	36.4
93.03456	1.1
95.01365	2.1
97.02941	2.9
99.00890	11.0
99.04507	0.9
101.02450	21.5
103.03998	1.3
109.02965	1.5
111.00869	1.4
113.02447	8.0
115.03999	2.4
118.98008	0.8
119.03509	6.0
122.03699	0.7
123.04502	0.6
125.02445	5.1
127.03954	1.1
131.03505	3.0
135.04541	0.9
137.02385	1.0
143.03491	1.4
149.04567	6.4
151.03993	1.3
152.01166	0.7
153.01886	0.6
155.03473	1.1
155.10770	0.6
159.03052	0.7
161.02441	1.5
161.04634	2.8
161.05792	0.7
165.05574	1.3
173.04494	0.6
179.03413	0.9
179.05579	1.9
180.04256	0.9
191.05605	8.6
195.02939	0.8
195.06575	1.6
221.06621	0.7
225.07692	1.9
233.06660	2.5
289.20197	3.8
293.08734	1.7
295.05978	0.7
317.10031	1.0
451.25500	13.0
451.31796	0.8
451.77911	0.8
483.90952	0.6
523.27551	8.9
583.29712	100.0
584.29926	5.2
605.01672	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	54.8
60.01706	3.4
61.52236	1.7
61.68328	1.9
61.98830	59.8
63.16445	2.0
64.74548	2.1
69.03456	4.5
70.30035	3.6
70.70235	2.4
71.01380	39.0
73.02950	12.7
73.14635	1.9
81.03464	5.6
83.01401	5.0
85.02957	13.6
87.65948	1.8
88.98825	2.0
89.02444	35.5
90.02804	2.4
90.55910	1.8
95.01413	3.2
97.02975	2.9
99.00862	6.2
101.02444	36.3
102.02791	2.5
109.02971	2.6
111.00923	2.7
113.02472	20.8
114.02776	3.1
115.03967	2.2
118.38829	1.8
119.03512	10.0
125.02435	11.1
131.03496	3.1
133.02951	7.4
135.04523	9.3
143.03542	2.7
149.04506	3.1
150.03171	2.8
151.03992	2.5
159.02968	3.7
161.02475	22.6
161.04572	11.8
165.05582	6.3
177.05554	2.8
179.03539	5.6
179.05637	8.0
180.05934	2.7
191.05579	6.2
195.06610	3.9
209.08044	2.2
227.16510	2.5
233.06638	3.3
331.08170	2.3
391.23404	15.7
421.18063	2.9
463.20813	2.1
522.26086	2.3
523.21490	4.0
523.27411	100.0
524.27759	4.5
537.28815	5.5
551.14581	3.0
567.92505	2.1
583.23694	27.7
601.44989	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	584.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	27.0
61.65571	5.5
61.98833	66.2
66.40579	5.3
71.01373	11.9
71.44177	5.6
75.00867	6.1
78.95896	5.6
84.95110	5.9
89.02428	10.5
93.03442	11.4
94.02991	16.1
97.02882	5.4
101.02467	9.7
104.06998	5.5
122.02487	100.0
133.02980	9.6
134.03790	6.0
135.04556	13.3
161.02446	12.1
165.05498	6.1
169.07755	5.4
173.04466	8.3
191.05675	18.0
204.20976	5.7
236.49443	5.8
265.09875	35.6
269.04495	13.0
285.04077	9.5
309.08847	36.8
322.04150	7.6
325.03650	13.0
361.11768	26.1
379.12643	6.9
483.37521	6.0
541.18390	85.1
584.24652	11.0
584.34601	7.3
585.10150	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	584.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.4
59.01378	14.0
61.98832	100.0
67.01884	5.4
69.03458	1.6
71.01382	11.7
73.02943	4.4
81.40771	1.4
83.01408	1.7
83.12885	1.3
85.02939	4.3
87.00859	2.3
88.13599	1.4
88.98772	1.8
89.02444	4.5
93.03471	23.1
101.02431	10.7
111.04497	5.8
113.02439	5.0
133.02975	1.4
135.04514	5.1
137.02408	3.9
151.00394	1.7
155.03477	4.4
161.02448	2.5
161.04570	2.0
173.04550	91.6
174.04800	2.6
191.05621	9.4
288.06000	1.8
347.17093	17.4
361.91544	1.4
521.22437	58.6
522.22888	3.7
523.27454	2.7
524.27722	8.9
585.18292	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	585.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23713	0.3
59.01381	3.2
61.98828	23.1
63.02385	1.9
64.22229	0.4
65.00331	1.3
65.54948	0.3
69.03454	0.4
69.16264	2.0
71.01376	2.7
73.02943	0.8
83.01381	0.6
84.95085	0.4
85.02957	1.0
87.04508	2.7
88.98794	0.5
89.02442	1.6
93.03457	1.5
98.21856	0.7
99.00886	0.7
101.02451	1.9
107.01387	2.0
109.02922	0.4
111.00863	0.4
113.02443	1.1
115.00395	0.8
117.03460	4.5
119.03513	0.5
119.05000	0.8
121.02947	1.0
133.02965	1.5
135.04498	3.0
137.02484	0.6
149.02448	0.8
151.00386	3.2
153.76445	0.3
159.04509	1.5
161.02434	4.8
161.04529	0.4
161.79968	0.3
173.04578	0.4
177.05609	0.5
179.03490	1.3
180.05801	0.3
181.06590	0.5
183.04614	0.4
185.06116	0.5
191.05627	1.2
195.06410	0.3
196.05257	0.6
197.06044	1.0
199.07576	0.5
220.88492	0.3
221.04597	0.5
225.05472	1.9
226.06276	2.6
227.07121	22.8
228.07391	2.1
251.05539	0.5
268.03763	5.2
269.04526	100.0
270.04865	9.8
281.06436	0.6
285.89645	0.4
287.05600	2.4
299.80270	0.4
311.05643	3.4
312.05905	0.5
341.08801	0.6
406.57233	0.4
431.09686	0.8
437.20639	0.6
471.09210	1.1
471.59464	0.5
488.14886	0.5
515.30072	0.3
523.35278	0.5
524.35205	3.8
525.25134	1.1
525.35590	1.0
529.10291	1.1
547.27850	0.9
549.16113	1.1
549.29401	4.0
585.12781	0.6
585.27087	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	585.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84547	0.7
55.66142	0.7
55.86437	0.6
56.35925	0.7
59.01383	5.2
61.98809	1.1
62.64507	0.6
68.99815	0.8
69.10863	4.8
71.01385	5.5
81.03450	0.9
83.01411	1.2
83.23538	0.7
85.02962	1.7
87.00879	0.9
88.98806	1.3
89.02459	3.2
95.01376	1.6
96.95994	1.2
97.02958	2.1
101.02444	3.8
103.83198	0.8
109.02968	2.0
111.00895	0.8
113.02454	2.7
119.03489	0.7
119.24149	0.8
121.02962	9.4
122.00118	1.2
123.00880	7.1
123.04539	1.5
127.00412	1.1
135.04520	1.2
137.02428	14.8
138.03241	5.1
139.00426	1.3
139.03973	1.3
149.02431	0.7
153.01889	1.5
153.05574	7.6
155.03458	1.7
161.02420	1.0
161.04555	0.9
165.01929	62.0
166.02582	1.4
166.99860	3.7
168.04263	1.4
179.03571	0.8
180.04283	52.1
181.01401	6.8
181.04884	1.3
182.02217	10.0
183.02979	4.8
183.06604	2.6
191.05803	0.7
195.06621	100.0
196.03725	1.9
196.06941	1.3
197.04556	26.2
210.05382	1.2
211.06131	1.4
224.03313	0.9
225.03975	1.1
239.05692	1.7
243.08655	1.8
265.03705	0.8
303.95819	0.9
311.04208	1.3
326.06534	5.3
341.08749	84.6
342.09109	2.5
399.09659	0.7
585.18243	41.8
586.18237	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	585.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69933	0.5
58.62068	0.6
59.01376	8.0
61.98831	14.2
63.44431	0.5
68.99812	0.8
69.03448	0.8
69.26541	2.3
69.26943	1.2
71.01376	6.5
73.02956	2.6
73.18599	0.6
78.54790	0.5
78.91912	1.1
79.79362	0.5
83.01390	0.5
85.02969	2.4
87.00884	0.7
88.98824	1.4
89.02451	3.4
93.03458	0.8
97.02986	0.6
99.00861	0.8
101.02452	3.5
103.04025	2.8
105.03495	1.2
109.02981	0.8
110.99142	0.5
113.02464	1.8
117.03466	1.8
123.04552	0.8
132.02144	1.8
133.02963	35.5
134.03708	2.2
135.03505	0.5
135.04527	12.2
135.97150	0.6
137.02417	1.2
149.05991	0.5
151.04022	1.0
155.03508	1.0
161.02451	100.0
162.02782	2.7
173.04523	0.9
178.02664	0.6
179.03487	8.1
191.05621	3.0
195.06638	1.4
210.12161	0.5
225.07680	0.7
256.62964	0.6
284.03259	1.0
285.04086	5.2
286.04297	0.7
332.31247	0.6
341.09021	0.8
383.09802	1.7
387.14398	1.9
423.07214	1.8
488.15353	0.8
524.35266	1.6
525.35333	1.7
547.14160	1.6
547.21600	2.0
549.15649	1.2
549.22900	1.9
549.29254	1.6
574.48822	0.6
585.21771	69.7
586.22253	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	585.2687
Annotation	Yuanhuadine
Peak:m/z	Relative Intensity
57.03426	7.3
59.01383	29.7
61.98828	56.8
69.17271	25.1
71.01385	29.3
71.01716	4.7
73.02936	16.3
78.67143	4.5
85.02959	13.4
89.02455	20.2
93.03397	6.4
98.21717	5.1
99.00851	6.4
101.02413	22.1
103.04015	100.0
113.02461	13.6
133.02959	31.0
134.03706	5.2
135.04501	24.1
137.02415	5.3
142.62332	4.6
160.61702	4.6
161.02434	97.1
173.04549	12.0
179.03508	12.7
188.48575	5.2
191.05655	11.1
233.48457	4.5
525.25024	6.0
549.29633	83.7
576.72552	5.3
585.27820	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95316	2.0
59.01366	7.2
61.54648	2.2
69.06520	7.0
69.06918	4.0
71.01370	2.2
71.91739	1.6
81.82050	1.7
82.23236	1.9
83.13868	1.9
95.04997	2.7
97.02947	3.8
97.06601	2.5
98.21786	3.8
109.06644	3.1
123.04504	4.8
123.08131	2.8
125.09742	9.3
135.08153	4.4
137.09709	6.4
141.05548	5.6
145.21385	1.7
153.09195	9.5
163.10138	1.7
163.11281	10.6
165.12842	2.1
171.10266	13.9
177.12764	2.8
181.12375	3.1
185.11797	13.4
190.63861	1.9
191.14442	16.3
197.11720	1.9
207.10271	5.4
209.11873	12.4
211.05679	2.0
211.13414	3.1
214.33424	1.7
217.15881	1.8
222.62842	1.9
225.11304	7.9
245.19092	29.5
271.17111	4.0
277.21716	45.8
289.18097	89.1
290.18436	4.9
307.19144	100.0
308.19397	4.8
325.20169	24.0
358.51306	1.8
445.44101	1.8
549.39270	5.1
567.40521	5.8
585.41693	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	585.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01485	0.5
57.03437	0.7
59.01367	0.8
59.55167	0.5
70.80849	1.1
71.01385	0.7
98.22041	0.6
111.08162	1.7
117.60697	0.5
125.09720	2.0
127.11265	1.0
148.29839	0.6
151.11299	1.2
153.12852	1.9
155.10750	0.6
167.10715	0.8
169.12411	0.7
175.32143	0.6
179.14417	1.2
181.12355	1.5
193.15958	0.6
195.13943	2.7
195.26123	0.5
196.14601	0.6
197.11916	1.0
199.13458	0.6
207.13943	1.1
223.13371	2.6
243.59885	0.5
247.20602	3.6
263.20273	0.7
273.18582	1.6
275.20102	2.0
281.21201	1.1
291.19659	26.3
292.20169	1.2
293.21216	34.8
293.70953	0.5
294.21448	1.2
306.72937	0.6
309.20709	100.0
310.21030	3.7
356.08041	0.7
475.34283	0.7
567.40540	8.4
568.41199	0.8
585.41632	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	586.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	1.4
59.24058	1.1
60.60653	1.1
63.35664	1.2
64.97018	3.7
69.30190	5.4
72.00907	3.8
79.95724	12.3
80.96513	6.3
93.03437	1.2
95.97611	25.6
96.96020	2.9
98.71988	1.0
118.06639	13.8
125.76984	1.1
130.30702	1.1
135.04486	1.8
137.06519	1.1
145.61806	1.0
147.04510	12.6
154.18887	1.0
161.02481	1.6
164.07166	41.8
198.02176	2.0
199.02444	1.3
211.47078	1.2
226.01596	1.5
235.30020	1.2
238.45157	1.1
244.02832	100.0
245.03223	1.8
257.13187	1.1
471.10870	1.2
520.32605	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70388	0.9
55.25860	0.8
59.01385	9.4
61.98830	61.1
71.01374	4.1
71.45205	0.9
73.02947	1.8
80.91705	1.9
82.95421	9.9
83.01387	1.7
83.19904	0.9
83.30314	0.8
84.32919	0.8
85.02938	1.0
88.43124	0.8
89.02451	4.1
93.03479	3.4
101.02457	3.9
113.02451	1.8
117.03458	0.9
118.53271	0.8
119.03490	2.0
119.04956	0.8
121.02969	2.4
130.08772	8.5
131.14987	0.8
133.02963	24.0
133.03989	1.4
134.03780	4.3
135.04527	47.6
136.04849	10.4
137.02452	3.7
149.06007	1.6
153.05557	7.6
156.06589	1.4
160.14549	0.9
161.02448	100.0
162.02750	2.3
163.04015	1.4
165.05580	3.7
173.04500	1.3
177.05569	1.4
179.03500	18.8
182.05807	1.4
183.06458	0.9
183.10286	2.2
191.05614	2.5
197.08136	1.1
221.04504	1.4
225.11310	1.8
234.11395	1.6
281.06680	1.4
310.13098	2.1
361.15207	0.9
388.17032	1.7
394.17212	1.0
468.48340	1.0
493.17200	29.2
494.17627	1.0
505.17203	21.9
523.18188	51.3
524.18512	2.4
542.22449	10.2
550.23517	1.5
586.21857	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	586.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88996	0.2
59.01379	2.3
61.98830	100.0
62.07554	0.2
68.99822	0.8
69.03448	1.1
71.01389	1.5
73.02951	0.3
75.89465	0.2
83.01421	0.5
85.02969	0.3
85.06592	1.2
85.23839	0.2
87.00900	0.2
89.02448	1.7
93.03465	1.6
95.01406	0.2
99.00917	0.4
101.02457	2.3
107.01386	0.2
109.02962	0.2
113.02498	0.5
117.03459	0.4
119.03512	0.3
121.02970	2.2
121.06602	0.6
123.04506	0.3
125.57050	0.2
127.04057	0.3
131.07141	6.4
133.03000	0.7
134.03738	0.6
135.04565	1.1
137.02431	0.4
149.02522	0.4
149.04575	0.3
149.18983	0.2
151.00398	0.4
153.05562	0.9
155.03535	0.4
161.02414	2.1
161.04497	0.2
162.02812	0.6
165.05557	0.3
168.31303	0.2
173.04626	0.4
173.06023	0.2
176.06126	0.2
179.03459	1.1
191.05618	1.6
191.07135	0.2
193.05147	0.8
195.06665	0.2
197.04620	0.7
227.07167	1.5
228.07530	0.4
245.11687	0.2
268.03741	0.2
269.04532	6.3
270.04861	2.6
271.05219	0.3
283.13580	0.2
285.03970	1.0
286.04376	0.2
341.08841	1.0
429.13916	1.5
473.13071	2.8
489.16397	0.2
543.20648	1.7
550.29529	0.2
586.19586	0.3
587.28113	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60743	0.1
59.01376	2.3
61.98829	100.0
63.02390	0.2
65.00328	0.2
67.01876	0.1
68.99805	0.6
69.03458	1.2
71.01377	1.5
73.02958	0.5
82.68893	0.1
83.01415	0.2
85.02953	0.6
85.06579	1.3
87.00864	0.2
87.04528	0.2
89.02438	1.5
93.03452	1.4
95.01421	0.3
97.02970	0.2
98.22640	0.4
99.00900	0.2
101.02444	2.1
103.00439	0.1
107.01404	0.3
109.02953	0.3
113.02448	0.6
117.03405	0.6
118.03867	0.1
119.03499	0.3
119.05079	0.1
121.02949	1.8
121.06624	0.5
123.04545	0.2
125.02485	0.2
127.04028	0.4
131.03532	0.2
131.07146	5.9
133.02975	0.8
134.03728	0.2
135.04512	1.6
136.01851	0.2
137.02478	0.4
149.02484	0.4
149.04530	0.2
151.00348	0.7
151.04048	0.1
153.05586	0.9
155.03552	0.3
159.04474	0.3
161.02455	2.7
161.04494	0.1
162.02774	0.4
165.05618	0.3
173.04565	0.6
173.06020	0.3
177.05667	0.2
179.03517	1.2
180.04071	0.2
181.05128	0.1
183.04420	0.2
185.06133	0.2
191.05632	1.4
191.07091	0.2
192.05986	0.2
193.05099	0.3
197.04591	0.7
197.06184	0.3
216.06573	0.2
221.04617	0.3
225.05545	0.3
226.06288	0.3
227.03596	0.2
227.07138	3.2
227.09184	0.2
228.07513	1.2
229.07695	0.2
249.07657	0.2
268.03735	0.8
269.04538	14.9
270.04880	5.5
271.05148	1.1
285.03949	0.8
286.04510	0.2
287.05664	0.3
300.00217	0.2
311.05719	0.4
311.11383	0.2
312.05869	0.1
323.07608	0.1
341.08835	0.7
354.09851	0.4
404.87207	0.2
429.13913	1.7
431.09729	0.1
471.59680	0.2
473.12979	2.0
526.26587	0.1
526.35944	0.2
543.20795	1.3
549.29431	0.2
550.16632	0.3
550.29767	1.1
551.17523	0.2
586.18884	0.3
586.27814	0.8
587.18677	0.2
587.27405	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	11.8
61.98827	6.5
67.01882	5.7
68.99820	6.2
69.03459	3.3
69.25751	6.7
71.01385	5.4
73.02930	1.7
75.00923	1.4
80.46214	1.3
80.91673	4.8
82.95410	9.8
84.95108	2.2
85.02949	3.5
88.98823	1.9
89.02456	4.7
93.03455	1.5
98.21823	2.6
101.02437	22.1
103.59603	1.3
107.05048	3.1
108.02226	1.5
109.02972	1.8
111.00875	4.8
111.04479	1.3
113.02451	3.1
116.92857	3.9
117.29401	1.5
117.92858	1.5
119.03481	3.5
119.05007	2.0
121.02965	1.9
127.04039	18.1
132.02158	1.6
133.02956	29.2
134.03708	1.5
135.04539	15.4
137.02428	2.7
149.06038	1.3
150.03206	3.6
153.05489	1.5
155.03450	1.3
161.02444	100.0
162.02745	3.7
163.03996	1.8
165.05576	3.5
169.57481	1.3
177.05548	2.4
179.03497	12.2
191.05612	8.1
193.05153	1.8
195.06627	3.0
205.01280	1.5
221.04543	2.4
227.09172	3.8
237.30315	1.2
281.06705	1.4
286.89008	1.4
323.07767	2.5
339.12531	3.5
348.67087	1.5
423.12842	4.7
492.17633	3.6
527.24664	3.1
549.23743	2.1
551.17639	89.3
552.17993	6.0
587.24615	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	587.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37036	0.3
59.01377	2.0
61.98827	2.6
65.00291	0.3
65.42749	0.2
69.03480	0.5
70.38651	0.3
71.01374	1.5
73.02933	0.4
80.12849	0.2
85.02969	0.5
87.00829	0.3
89.02453	0.8
93.03418	0.3
97.02960	0.4
98.21892	0.8
101.02435	1.4
105.03479	0.6
106.04288	0.5
107.05052	0.6
107.90023	0.2
112.13298	0.3
113.02451	0.5
117.03468	0.7
119.03548	0.3
121.02950	0.4
123.04498	0.4
132.02151	1.6
133.02956	31.3
134.03749	11.9
135.04524	24.1
135.05627	0.4
136.04843	0.5
137.02444	3.7
139.04016	1.0
146.19901	0.3
149.02420	0.5
150.03278	0.4
151.00253	0.3
161.02440	100.0
162.02809	1.2
163.04172	0.3
177.05519	0.6
178.02713	3.3
179.03494	16.0
185.90326	0.3
200.40012	0.3
201.09140	0.9
221.04611	0.3
245.08224	0.7
247.09772	0.8
259.37265	0.3
263.09286	0.3
269.04547	1.1
281.06714	0.3
285.04041	5.9
286.04300	0.3
407.13553	0.6
425.14520	54.0
426.14914	2.2
539.21924	0.4
549.16089	0.4
551.17462	1.2
587.17688	55.4
588.17621	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	587.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62410	0.3
55.01852	0.5
59.01379	14.1
59.59224	0.3
61.98830	100.0
62.98537	0.8
65.03967	0.8
67.01884	1.1
68.99816	3.8
69.03460	6.6
71.01383	8.9
71.45208	0.3
73.02938	1.5
82.95409	0.5
83.01391	1.5
84.02165	0.4
85.02953	2.9
85.06590	11.8
87.00887	0.8
89.02445	8.6
93.03455	9.5
95.01395	0.7
95.05027	0.9
96.96037	0.5
99.00892	1.1
101.02448	12.5
106.04210	0.5
107.05024	1.5
108.02156	0.4
113.02429	2.4
117.03459	0.4
119.03501	2.0
121.02954	13.2
121.06593	4.7
123.04521	0.6
127.03989	1.7
131.07143	55.9
132.07481	0.7
133.02959	2.4
134.03734	1.3
135.04535	4.3
137.02405	0.8
143.03499	0.4
145.02963	0.5
145.06566	1.2
147.04532	0.6
149.02464	1.1
149.04568	1.7
149.05812	0.4
151.00388	0.9
151.03984	0.9
153.05582	6.0
155.03528	0.7
159.04443	0.5
161.02452	5.9
161.04494	0.6
161.06000	0.4
162.02789	0.6
163.04042	0.5
165.01894	1.1
165.04161	0.5
165.05511	1.9
171.04529	0.8
173.04539	1.2
173.06061	2.2
177.05513	0.6
179.03529	5.2
179.05249	0.7
179.05533	0.6
181.05002	0.8
189.05659	0.4
191.05585	2.4
191.07187	0.9
193.05045	0.7
197.04530	6.2
199.09758	0.5
205.08771	0.7
217.86707	0.4
223.09795	0.5
246.23468	0.3
249.07639	1.6
251.07579	0.4
269.04456	2.1
270.04813	0.8
271.05118	0.5
285.04025	1.7
287.05408	1.0
292.95239	0.3
293.09988	0.4
309.09830	0.7
311.11203	1.5
328.08997	0.5
341.08820	6.6
411.13101	0.6
429.13968	13.0
430.14307	0.5
473.12979	20.7
474.13077	0.7
543.12531	0.7
543.20831	13.0
544.21021	0.6
549.16254	0.5
549.29004	1.4
551.17365	0.8
587.26703	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	587.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.5
61.98834	3.8
64.06017	0.5
67.52140	0.6
69.03445	0.9
69.15987	2.9
71.01398	2.6
71.61812	0.5
73.02947	1.7
82.95445	1.3
83.01366	0.8
83.05026	0.7
83.92966	0.5
84.95089	2.5
85.00431	0.7
85.02952	2.2
87.00876	1.0
87.04512	9.0
88.98791	0.6
89.02438	0.9
93.03471	1.2
96.96012	1.1
97.02948	1.7
99.04512	0.8
101.02448	2.8
109.02990	0.7
111.00864	0.6
111.04515	0.9
111.08199	0.6
113.02460	0.6
121.02913	0.7
123.04564	0.8
125.02428	1.2
125.06132	0.6
133.02910	1.3
135.04514	2.0
135.08180	1.3
137.02438	7.1
137.09712	4.5
139.07629	1.6
139.11261	0.7
147.04459	0.7
150.03236	1.5
151.04034	0.8
151.11235	0.7
155.10779	25.5
161.02411	2.5
161.04585	0.6
161.05940	0.6
163.07683	0.6
163.11320	1.3
165.01927	54.7
165.05566	6.0
166.02600	2.2
167.10799	1.0
169.12265	1.3
173.04567	0.9
179.03395	1.0
179.10770	2.5
180.04283	38.4
181.05043	3.8
181.08673	2.7
191.05640	1.5
191.10770	1.7
193.12433	0.8
195.06621	100.0
196.06998	1.7
199.09755	28.1
202.06329	1.3
210.05309	0.5
213.11317	1.3
223.09819	0.9
225.11324	0.5
229.07069	0.8
230.91771	0.6
231.10240	2.2
237.11475	0.8
241.10768	7.7
243.08752	5.7
253.10878	3.1
255.12343	2.3
283.11868	17.1
343.14001	12.0
361.12625	0.6
555.20776	1.3
587.23578	13.2
588.23822	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	20.3
61.98820	0.9
71.01383	9.4
73.12956	0.6
79.95714	0.8
82.95397	0.8
83.01361	0.8
85.02950	2.3
85.06595	7.3
87.18645	0.6
88.98795	0.8
89.02444	11.5
95.01388	0.9
95.97642	1.0
96.96030	1.0
97.32939	0.5
101.02448	8.5
109.02937	0.7
113.02426	3.5
113.06093	1.6
115.07648	1.1
119.03490	3.8
127.07680	0.7
131.07149	35.2
143.03459	0.6
150.03206	0.7
161.02493	1.2
164.07176	1.1
165.05536	1.3
171.79562	0.6
173.08122	0.7
191.05623	0.7
195.06616	0.8
244.02832	2.7
245.03114	2.0
293.12442	100.0
294.12769	1.5
431.83911	0.6
527.17725	0.8
587.23883	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57510	2.2
59.01372	6.0
61.98830	10.7
65.00330	4.5
71.01403	2.9
71.68212	2.3
81.03512	3.3
101.02441	2.4
107.01398	7.3
108.02180	7.5
120.02203	2.6
134.03748	7.6
135.04529	7.2
136.01701	6.6
151.00359	23.8
153.46495	2.3
164.01170	27.4
173.04555	3.4
174.03206	7.2
191.05632	5.0
196.00116	2.9
197.11757	4.8
198.03291	2.6
199.04016	13.8
201.01971	4.9
241.05101	3.1
242.05835	5.3
257.04550	3.8
258.05249	3.1
285.04025	41.1
286.04819	39.6
287.05222	2.9
309.20663	7.2
383.11362	100.0
384.11777	4.3
448.10211	21.1
450.59415	3.3
502.14844	2.7
545.16675	10.4
595.91925	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	588.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88620	2.3
55.63995	2.7
59.01360	6.5
59.92188	2.6
61.98825	15.6
65.00319	3.9
65.54307	2.3
71.01398	2.6
83.01412	3.0
89.02448	3.2
93.03416	2.9
107.01366	7.0
108.02142	4.3
134.03729	10.6
135.04512	9.3
136.01660	5.6
136.81804	3.5
151.00369	23.4
161.02419	3.4
163.00371	3.6
164.01195	16.5
174.03165	5.8
189.05510	3.2
191.05618	7.6
199.04036	14.3
201.01874	6.5
215.03494	5.5
240.04196	3.2
241.05028	8.6
242.05891	7.9
243.03093	3.2
257.04349	5.9
257.70425	2.6
258.05426	3.6
285.03986	31.0
286.04813	26.2
287.05798	4.7
383.11340	100.0
407.11392	4.2
425.12479	3.6
447.08969	3.5
448.10229	18.2
545.16748	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53461	1.4
59.01377	33.8
62.29544	1.6
63.40556	1.4
65.03934	1.5
67.01862	5.9
68.99806	16.7
69.03456	16.6
69.44344	7.5
71.01376	15.7
73.02951	5.5
75.00876	13.6
83.01415	1.6
85.02956	2.5
85.47898	1.4
87.00330	3.3
87.00870	67.8
89.02444	14.1
93.03455	6.9
95.04995	4.9
99.00852	2.8
100.23013	1.5
101.02441	49.3
107.05013	2.9
109.02964	3.4
113.02439	7.7
115.00427	1.7
115.58683	1.5
119.03495	5.4
119.04965	3.7
121.02925	9.0
121.06577	2.9
123.04482	4.5
125.02459	4.5
127.04002	15.9
128.01015	1.7
135.04526	4.1
137.02391	3.2
137.06082	2.5
137.37471	1.5
139.03946	1.5
149.02402	4.8
149.06039	4.1
151.03983	5.3
153.01942	2.6
153.05580	11.9
153.06627	2.2
159.03067	1.7
161.02426	3.4
163.04007	3.7
165.05518	4.8
173.02502	1.7
173.06122	2.0
175.04079	4.4
175.69156	1.7
177.05577	3.6
179.03607	1.7
179.05658	3.1
181.05051	6.7
185.04572	3.0
189.05533	4.6
193.05045	2.6
195.06529	1.7
203.03508	2.7
203.06934	1.4
205.05028	5.5
205.08682	2.2
207.06770	2.2
217.05080	6.4
219.06470	2.8
221.04543	4.3
225.04036	2.6
225.07698	3.5
235.06056	2.5
237.07687	5.6
241.05080	3.6
245.04636	2.4
253.07230	1.8
256.07285	2.4
271.09686	6.3
295.70132	1.6
457.13388	10.1
485.16281	3.6
495.15240	2.2
497.16507	7.7
513.15771	8.7
523.13904	1.9
529.15875	11.5
529.22607	2.1
553.15692	4.0
571.16644	5.2
589.17645	100.0
590.17822	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	589.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89605	1.3
52.04328	1.4
57.03434	2.0
58.85741	1.4
59.01377	35.4
61.98825	13.6
65.03950	1.4
67.01890	5.9
67.37532	1.3
68.99819	15.9
69.03135	1.3
69.03456	16.3
69.13246	6.1
71.01380	16.8
72.99286	2.8
73.02934	5.1
75.00873	14.3
83.01341	1.7
83.96766	1.2
84.95076	1.7
85.00417	2.0
85.02933	4.3
87.00874	61.6
89.01944	1.3
89.02444	18.7
93.03433	7.5
95.01376	2.1
95.04994	2.9
96.95993	2.0
97.02914	3.1
97.09690	1.1
98.22661	2.4
99.00865	2.4
101.02444	47.9
107.05034	2.4
109.02910	3.9
111.04475	1.3
113.02444	8.0
119.03505	7.3
119.04983	3.4
121.02936	8.3
121.06557	3.3
123.04488	4.8
125.02441	1.5
127.03280	1.2
127.04005	14.8
133.02963	6.9
135.04512	6.1
137.02403	2.3
137.06052	1.6
143.04991	1.4
145.06596	1.4
147.04497	2.7
147.73682	1.1
149.02448	6.2
149.06052	3.3
150.03157	3.4
151.03934	3.4
153.01920	2.8
153.05559	13.3
159.04530	2.1
159.80113	1.4
161.02443	20.9
161.04477	1.6
161.06046	1.8
162.02727	3.5
163.02795	1.7
163.03984	5.1
165.05484	5.4
167.07036	1.4
173.05997	2.6
175.03958	2.7
177.05511	3.3
179.03496	6.1
179.05589	1.8
181.04968	3.7
189.05540	3.7
191.03416	1.6
191.05586	3.4
191.07153	2.1
191.09215	2.1
193.05023	4.9
195.06697	5.9
203.07120	1.8
205.04913	5.1
207.06577	3.0
217.05150	6.2
219.06567	1.8
221.04453	4.0
225.07582	3.2
231.06474	1.3
233.08305	1.6
235.06047	2.7
237.07581	3.8
245.08008	1.8
247.06058	2.2
249.07755	1.9
253.07124	1.6
287.09149	2.2
305.10345	1.9
317.09738	1.4
325.05499	1.4
357.08188	1.6
427.15356	1.8
435.12549	1.5
457.13220	9.0
462.10471	1.4
469.16818	2.5
481.13556	1.6
485.16324	5.2
495.15039	2.1
497.16742	2.4
499.14633	4.6
509.16162	2.3
513.16144	6.5
517.15411	2.0
523.14709	2.6
527.17444	1.6
529.15717	10.6
553.15338	3.6
559.16437	2.9
571.16266	4.8
589.17645	100.0
590.17865	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	589.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43929	0.4
59.01381	5.4
59.23370	0.4
61.98834	1.5
69.03469	0.6
69.54079	0.9
69.54466	0.6
69.71817	0.3
71.01385	4.5
73.02947	0.9
81.03468	0.5
82.95427	0.8
83.01385	0.5
85.02953	1.6
87.00880	0.6
89.02454	3.9
89.03987	0.4
93.03451	0.4
97.02957	1.0
99.00880	1.6
101.02420	1.7
105.03453	0.8
107.01315	0.3
107.05043	0.8
109.02974	0.5
111.00903	0.4
113.02445	1.0
115.04035	0.4
117.03468	0.8
119.03481	0.4
123.04536	0.5
125.02439	1.7
131.03490	0.7
132.02177	1.7
133.02960	38.7
133.06580	2.8
134.03825	2.7
135.04530	31.1
136.04802	0.7
137.02435	0.6
149.04568	0.5
151.00432	0.4
155.03450	0.5
160.01582	0.5
161.02448	100.0
162.02766	2.2
163.76404	0.5
171.11815	0.4
173.04529	0.4
175.04001	0.4
179.03499	20.5
186.98848	0.4
191.05658	2.7
203.03487	0.5
258.15930	0.3
269.04547	0.5
284.03268	0.4
285.03943	0.6
292.66754	0.4
293.08841	1.1
384.11401	0.9
454.82516	0.3
455.12045	3.6
487.21024	0.4
523.47998	0.4
529.27386	0.7
553.32208	0.4
589.19250	56.5
590.19397	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	589.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	25.3
61.98812	2.5
67.98644	0.7
71.01375	19.4
72.99285	1.4
73.02938	9.6
83.01405	0.6
85.02946	3.3
87.00880	1.4
89.02440	21.8
97.02932	0.8
99.00879	19.3
101.02436	9.1
113.02440	3.0
119.03445	1.1
125.02427	1.5
131.03474	2.4
142.61041	0.8
149.04529	2.2
158.03574	0.7
175.17786	0.8
191.05605	5.0
223.17023	2.2
252.64023	0.8
277.21698	3.3
295.22656	4.3
336.23938	0.7
439.26822	1.3
457.27951	7.9
516.50055	0.8
589.32263	100.0
590.32391	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	590.155
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99590	2.1
59.01383	32.7
68.99828	5.4
69.03451	6.3
69.13817	4.9
69.14224	2.3
70.02969	3.9
71.01379	21.9
73.02943	11.5
82.99609	1.4
85.02922	1.4
86.02477	5.6
87.66637	1.0
89.02447	39.6
90.07907	1.3
93.03459	1.6
94.02987	2.0
95.05020	1.5
98.21851	2.1
99.00896	15.2
101.02441	9.5
112.04050	20.6
113.02457	3.1
119.05040	1.4
121.02989	1.8
122.02487	15.5
122.06096	2.3
123.04537	2.5
125.02429	2.4
129.01581	1.1
130.91103	1.1
131.03477	4.3
131.05000	1.5
133.02991	1.7
135.04549	8.0
137.02435	1.2
137.04337	2.2
139.02220	3.8
149.02425	1.2
149.04575	9.7
156.03040	2.7
161.02495	7.1
165.03804	8.8
168.68297	1.1
172.07658	1.9
174.05649	1.6
179.03485	3.6
182.02792	11.8
190.03220	1.7
191.01837	1.1
191.05638	10.0
192.06667	3.1
200.07111	4.8
218.08261	2.6
226.01807	9.2
227.38779	1.1
232.49323	1.1
234.05977	6.2
237.01234	1.0
278.04883	5.5
293.51227	1.2
296.05896	4.5
298.59698	1.1
383.12738	1.3
421.96490	1.3
427.16666	1.6
428.16284	1.6
453.87292	1.2
562.15955	1.8
590.15479	100.0
591.15692	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	591.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.0
60.84074	0.6
60.99292	1.1
71.01382	5.3
73.02901	0.7
82.95411	17.8
83.01386	0.8
84.95090	0.6
85.00436	0.7
85.02953	2.0
85.96498	0.6
87.00872	6.4
88.62047	0.7
88.98813	5.3
89.02446	3.6
93.03478	0.7
95.01411	0.5
101.02441	3.3
105.03476	0.8
106.04125	0.6
107.05029	1.8
112.47646	0.5
113.02444	3.1
117.03460	9.3
119.03500	0.7
119.05019	5.2
120.77135	0.5
121.05052	0.9
132.02170	1.2
132.08461	0.6
133.02954	27.7
134.03758	4.2
135.04521	68.6
136.04863	1.1
145.02954	38.2
161.02438	100.0
162.02797	2.4
163.03986	6.6
173.04581	0.9
174.24126	0.5
179.03485	38.0
180.03864	1.1
180.72769	0.6
187.07640	1.2
191.05576	1.7
206.17181	0.5
211.04048	0.6
221.04466	0.8
265.07248	0.7
323.07724	0.7
341.08746	0.7
357.09787	0.7
411.12775	2.2
427.12347	1.1
429.14014	25.8
430.14139	1.6
445.13486	34.5
446.13660	1.2
511.17914	0.7
591.17151	68.0
592.17493	6.6
606.51428	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.5
64.69488	0.4
69.03460	0.5
71.01374	3.7
71.41519	0.3
73.02496	0.3
73.02946	1.3
82.95413	0.7
84.95107	2.8
85.00458	2.4
85.02956	1.4
87.00871	0.6
88.98825	0.7
89.02434	2.1
96.96008	0.4
98.22692	0.6
99.00894	0.6
99.91496	0.4
101.02450	2.8
105.03445	0.8
105.05605	0.5
107.05028	0.5
113.02466	1.7
114.66360	0.4
117.03458	1.1
119.03477	0.5
132.02165	1.3
133.02959	27.8
134.03798	2.4
135.04521	19.1
137.02472	0.7
147.47139	0.4
149.04585	0.4
151.00447	0.5
161.02441	100.0
162.02776	2.5
173.04572	0.8
179.02000	0.8
179.03500	11.3
191.05603	1.4
221.04736	0.5
267.08591	0.9
267.11111	0.5
269.10086	0.4
281.06726	0.6
285.04102	0.7
315.27792	0.4
369.02966	0.7
411.12323	0.5
429.13977	55.1
430.14301	2.9
474.24512	0.4
553.18878	0.5
591.17175	44.0
592.17371	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	591.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43847	1.1
54.16820	1.6
59.01111	1.5
59.01382	16.0
64.92503	1.3
70.99518	1.2
71.01385	10.1
73.02926	1.9
85.02947	1.9
89.02438	9.7
98.21859	2.9
99.04530	1.5
101.02417	5.0
103.03292	1.3
103.68938	1.2
109.02923	1.7
113.02425	2.4
119.03492	3.4
125.02443	1.7
133.02007	2.3
133.02957	26.9
134.03777	7.8
135.04524	81.2
137.02414	2.0
146.84035	1.1
149.06073	14.1
151.00287	2.6
156.51726	1.3
161.02444	100.0
161.13374	2.2
162.02821	3.0
177.05579	24.2
178.02856	1.9
179.03499	88.7
180.03835	2.2
205.12331	5.5
221.04543	38.0
249.11249	2.6
251.05624	42.2
255.02911	2.4
268.03738	1.6
269.04407	2.2
281.06668	71.1
283.40640	1.4
285.03979	1.7
287.05640	1.5
323.07736	3.5
341.08752	50.8
342.08972	2.7
385.18588	2.0
429.17609	5.2
439.32962	1.3
480.25687	1.2
531.27722	2.6
547.21918	18.6
567.44324	1.7
591.11298	5.9
591.20685	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2613
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
51.95538	0.6
54.13851	0.6
59.99206	0.6
64.94646	0.6
69.98185	1.8
71.05117	0.7
88.80283	0.6
99.92588	0.7
114.57308	0.6
147.71935	0.6
150.99628	0.6
223.12506	0.7
278.80881	0.6
311.42438	0.7
396.16922	0.7
443.22922	1.3
456.23056	0.8
459.21829	2.3
471.21198	0.9
471.25574	2.5
473.23639	0.8
482.21179	1.4
485.19794	1.5
487.25403	3.0
497.23444	3.6
499.21240	3.3
500.22119	12.8
501.22626	1.2
504.21646	0.8
514.23663	1.1
515.24530	100.0
516.24811	7.0
547.27820	0.8
559.23480	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	591.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35070	1.7
55.01868	1.8
57.03453	2.4
57.97010	1.4
59.01375	45.6
60.28790	1.4
61.40304	1.8
61.98821	20.4
66.19297	1.5
69.03454	2.4
71.01379	49.8
72.99303	2.1
73.02942	18.0
75.00850	1.8
83.01364	5.7
85.02950	18.6
87.00865	5.4
88.98813	6.1
89.02450	32.2
93.03449	2.1
95.01377	2.7
96.95959	2.5
97.02931	2.7
98.22691	3.2
99.00891	11.2
101.02438	32.4
102.17127	1.5
102.78729	1.7
107.01402	2.3
109.02926	1.8
113.02438	14.4
117.03484	2.4
119.03487	5.4
119.04974	1.6
125.02460	5.8
131.03499	4.7
133.02962	15.0
134.03728	3.4
135.04518	18.4
137.02446	2.4
143.03409	2.4
149.04541	14.6
149.05939	3.2
151.00378	7.7
159.00841	2.2
159.02974	3.2
161.02448	33.8
161.04501	8.9
161.13443	1.9
164.01155	2.4
168.64680	1.9
173.04504	2.3
174.01689	3.4
177.05536	7.1
178.02690	1.9
179.03502	23.8
179.05215	2.9
191.05644	11.7
203.03360	2.0
205.12239	2.9
205.18333	2.0
221.04561	9.7
233.06770	2.4
238.48177	1.7
249.11371	2.2
251.05548	10.2
255.03038	7.0
267.06342	2.6
268.03754	5.9
269.04523	30.4
270.04889	2.2
279.28036	1.6
281.06665	16.2
283.02481	3.8
284.03204	1.8
285.04080	3.9
301.07294	7.6
341.08820	10.9
399.23627	7.6
429.17548	3.0
447.24747	1.9
473.23996	3.3
513.27094	2.6
531.28094	100.0
532.28351	6.0
547.22015	4.2
547.30841	3.8
591.11304	15.0
591.21057	6.8
592.11682	3.4
606.91321	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	591.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46309	6.5
52.88792	6.9
59.01379	77.5
61.98832	74.4
71.01375	56.0
71.44131	8.0
73.02943	23.3
85.02936	16.2
89.02440	61.4
89.51765	9.1
99.00864	9.9
101.02460	36.3
105.54411	6.0
113.02443	18.2
113.07964	6.1
125.02475	8.1
131.03499	7.2
133.02988	12.7
135.04507	13.3
141.80161	7.9
149.04544	23.8
155.93008	7.2
161.02483	17.4
161.04474	10.1
191.05624	25.5
227.51457	6.7
259.41525	6.8
269.04535	25.6
285.04080	7.9
291.04440	7.7
399.23828	10.1
484.74918	8.1
531.28156	100.0
532.28723	9.2
558.10730	8.1
591.11035	17.6
591.32129	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	592.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	59.1
71.01382	34.7
72.99331	2.1
73.02946	3.0
83.01367	1.9
85.02967	9.6
87.00871	1.8
89.02446	35.7
93.03462	1.6
95.01346	3.4
95.30789	1.5
96.95957	1.7
97.57391	1.4
98.22649	5.6
101.02444	18.6
105.40224	1.7
113.02460	18.5
119.03510	12.2
131.03520	1.9
133.01462	3.9
142.59280	1.8
143.03459	2.1
161.02481	2.2
161.04539	7.6
179.05582	9.5
191.05609	2.0
286.14694	1.9
353.06607	4.0
383.07629	3.2
385.48987	1.8
387.20276	4.7
475.51825	2.1
549.25513	100.0
550.25690	3.5
593.15057	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	592.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74466	0.6
53.67145	0.5
56.42130	0.6
59.01377	28.0
61.59745	0.5
61.98824	2.4
63.50709	0.6
69.87505	1.0
71.01392	0.7
71.54485	0.6
78.95901	14.3
80.96541	1.0
94.70054	0.7
96.96944	0.7
98.21901	1.3
110.71597	0.6
111.08163	0.9
113.09702	1.0
152.99602	5.3
158.39372	0.6
161.02412	1.0
167.10750	0.8
168.04286	4.3
171.07635	0.5
171.10301	0.8
173.77081	0.6
177.12714	0.6
179.14375	1.3
181.12323	1.0
195.13901	14.0
196.14722	3.1
198.56879	0.7
205.12341	0.8
211.13481	1.6
212.13805	0.6
223.13405	11.6
224.06950	2.0
225.14790	0.7
228.13664	0.9
231.21165	1.1
235.05112	0.6
242.07990	6.9
256.13181	1.7
265.21573	0.8
269.04556	6.8
275.20151	6.6
284.03174	1.1
285.04031	2.5
293.21228	98.9
294.21576	4.2
307.22787	1.1
323.07843	0.8
341.23642	0.9
342.23831	1.0
364.62827	0.6
447.21469	3.9
518.28864	100.0
519.29175	5.2
532.30548	1.1
533.25018	1.2
592.12323	1.8
592.32593	1.6
593.12982	2.4
593.25739	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.1
59.01379	16.8
60.39858	0.7
60.51097	0.7
61.98824	2.6
63.76567	0.7
69.70881	2.5
78.95901	9.3
79.70100	0.7
93.71196	0.6
97.06572	0.8
111.08126	0.9
113.09732	16.8
139.11263	1.0
152.99593	2.1
157.46431	0.7
161.02454	0.8
167.10774	2.3
168.04282	2.0
177.12827	1.8
179.10803	2.3
195.13885	1.9
204.28250	0.8
205.15976	0.9
207.15543	0.6
224.06973	1.4
242.07942	4.1
249.22214	1.1
255.34317	0.7
269.04584	3.6
275.20230	1.7
285.04190	1.6
293.21225	100.0
294.21689	4.1
307.22748	17.1
518.28912	48.5
519.29364	2.1
532.30450	11.5
550.14038	0.7
593.13519	2.3
593.26398	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.13
Annotation	Apigenin 7-(6''-E-Caffeoylglucoside)
Peak:m/z	Relative Intensity
59.01372	0.3
63.02392	1.2
65.00317	0.8
68.80657	0.1
69.22958	0.8
71.01380	0.9
73.02932	0.2
75.78671	0.1
83.01378	0.2
85.02947	0.4
93.03460	0.2
98.22678	0.2
99.54060	0.1
101.02454	0.3
105.03452	0.4
107.01389	1.5
107.05032	0.2
109.02906	0.3
113.02466	0.3
114.67874	0.1
117.03462	4.5
121.02969	0.4
125.02482	0.2
132.02200	0.7
133.02956	12.0
134.03696	0.5
134.26968	0.1
135.04527	11.3
136.04875	0.3
137.02470	0.3
147.04536	0.3
148.05356	0.2
149.02460	1.7
149.06073	0.7
151.00383	1.7
155.05096	0.2
157.06566	0.2
159.04520	1.9
160.01750	0.1
160.68301	0.1
161.02446	36.3
162.02773	1.0
169.06572	0.7
171.04503	0.1
171.63847	0.1
175.03999	0.5
177.01993	0.1
177.05573	2.0
178.02725	0.2
179.03496	7.9
180.03793	0.2
180.05884	0.2
181.06569	0.6
182.03719	0.1
183.04465	0.9
191.05620	0.2
196.05295	0.3
197.06038	0.6
199.04031	0.2
201.05573	0.7
203.03500	0.5
209.78770	0.1
213.05597	0.2
220.03772	0.4
221.04559	2.7
224.04819	0.4
225.05580	1.4
227.03522	0.5
233.04538	0.3
245.04585	0.2
251.05672	0.3
263.05557	0.4
268.03836	1.2
269.04541	100.0
270.02011	0.3
270.04892	3.7
270.16992	0.1
280.05890	0.4
285.04062	0.3
311.05640	0.2
323.07712	22.2
324.04553	0.1
324.07858	0.8
325.05020	0.1
431.09686	0.3
593.12994	43.0
594.13269	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.13
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70934	0.3
63.02405	1.2
65.00336	0.9
69.93707	1.0
69.94057	0.3
74.22765	0.3
78.90775	0.3
83.01366	0.4
102.17019	0.3
105.03510	0.4
105.80185	0.3
107.01386	1.6
107.86303	0.3
109.02939	0.7
115.83820	0.3
117.03459	5.5
119.05067	1.6
121.02961	0.5
133.02946	5.5
135.04547	0.8
145.02954	11.9
149.02449	1.5
151.00360	3.9
161.02419	1.7
163.04028	1.0
175.04004	2.3
177.01921	0.4
185.06039	0.5
187.04001	0.4
197.06107	0.3
198.03233	0.5
199.04042	1.8
201.01938	0.8
211.04001	0.5
213.05550	0.5
217.05037	1.2
227.03590	0.5
239.03561	0.4
241.04982	0.6
243.03004	0.7
255.03043	0.4
256.03741	1.4
257.04572	0.3
268.03683	0.4
269.04510	5.0
272.31998	0.3
283.02579	0.4
284.03268	15.8
285.04031	100.0
286.04324	2.8
323.07687	1.1
327.04910	0.4
368.17984	0.4
447.09357	0.9
488.07828	0.4
580.13098	0.3
593.12970	70.7
594.13293	4.0
620.11621	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93014	0.1
57.01945	0.1
59.01371	0.4
61.98821	0.6
63.02394	1.4
65.00295	0.6
69.09632	0.9
71.01379	0.4
73.02946	0.2
74.57962	0.1
83.01396	0.2
85.63335	0.1
87.00839	0.2
89.00340	0.2
89.02426	0.2
93.03454	0.5
99.00879	0.2
101.02460	0.2
105.03493	0.2
107.01387	1.7
109.02935	0.2
117.03458	3.4
118.25191	0.1
119.05058	0.2
121.03004	0.2
132.02240	0.2
133.02957	2.3
134.03627	0.2
135.04526	1.6
136.04851	0.3
145.02994	0.8
149.02444	1.0
149.06096	0.2
151.00357	1.5
155.03464	0.2
155.04893	0.1
157.06573	0.2
159.04482	0.8
161.02448	5.2
162.02827	0.2
163.04066	0.2
169.06625	0.3
171.04405	0.2
173.06007	0.2
175.03998	0.4
177.05571	0.4
179.03471	1.2
180.03888	0.2
180.05829	0.2
181.06453	0.3
183.04466	0.7
191.05550	0.4
196.05298	0.4
197.06100	0.6
199.03989	0.4
201.05560	0.7
203.03473	0.3
210.03194	0.2
217.05069	0.2
217.89439	0.2
221.04547	0.4
224.04774	0.4
225.05661	1.1
227.03494	0.5
234.66679	0.1
251.05574	0.3
268.03757	0.3
269.04538	100.0
270.04865	3.1
281.06625	0.4
282.06973	0.2
284.03217	1.2
285.04041	17.0
286.04349	0.5
293.85913	0.2
323.07709	2.9
341.08673	0.3
342.09073	0.2
582.70551	0.2
591.70294	0.2
593.13007	13.4
593.21442	0.5
594.13684	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
62.21519	0.2
70.68187	0.4
71.62965	0.2
77.03988	0.2
78.47731	0.2
80.96503	0.6
91.01940	0.2
98.03075	0.2
120.02172	3.2
121.02959	100.0
122.03292	1.2
136.01651	0.3
161.02394	0.2
165.01927	4.4
165.05199	0.2
180.05789	0.5
181.06621	2.4
197.06082	1.7
207.04498	0.8
207.08142	0.3
209.04546	53.8
210.04919	1.1
212.69743	0.2
225.00735	0.2
225.05562	1.9
251.07112	0.3
257.09695	0.6
269.04617	1.0
284.03168	0.2
285.04105	1.0
285.09155	0.2
295.05750	0.2
301.08594	0.3
306.75433	0.2
313.07159	2.0
323.07327	0.2
357.05920	0.9
373.10822	0.2
383.07660	1.2
401.08627	0.2
417.09747	1.2
505.11356	2.7
549.10413	6.3
550.10791	0.3
593.12982	13.4
593.27142	0.7
594.13373	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06113	0.3
53.77710	0.3
59.01379	3.2
60.99302	4.7
63.02392	0.6
65.00340	0.5
69.15862	1.7
71.14966	0.4
72.74229	0.4
72.99311	0.6
82.95376	0.5
84.95126	2.0
85.00426	1.6
87.00870	0.6
88.98808	26.2
89.02441	5.5
91.22130	0.4
93.03445	0.5
99.04504	1.4
101.02442	1.7
107.01364	0.6
108.02174	0.8
109.02977	0.4
131.03455	0.5
133.02966	1.2
134.03705	0.7
135.04509	1.4
145.02939	0.7
151.00327	1.5
152.01189	0.4
161.02409	3.9
166.94429	0.4
179.03482	1.1
187.32016	0.4
191.05614	1.5
200.04866	0.4
207.13852	1.7
227.03419	0.4
251.12914	3.3
255.02977	1.1
256.03815	2.4
269.04562	2.8
284.03262	81.8
285.03659	3.1
299.05603	100.0
300.05899	2.7
431.19214	3.2
433.78171	0.5
437.13882	0.4
472.10611	0.4
503.15488	0.7
503.22809	0.4
523.87061	0.4
533.22705	0.6
539.70978	0.4
593.15546	6.1
593.25262	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84871	0.2
59.01385	0.7
63.02403	0.7
65.00346	0.6
69.08625	0.2
69.13355	0.9
69.13766	0.5
73.02949	0.2
83.01385	0.2
85.02933	0.2
87.06557	0.2
88.41370	0.2
89.02435	0.5
96.96009	0.7
101.02484	0.5
105.03451	0.3
107.01411	1.5
109.02973	0.5
121.02958	0.5
122.39738	0.2
133.02950	3.7
135.04520	0.5
148.01656	0.2
149.02425	1.0
151.00372	3.4
151.04033	0.3
161.02464	0.4
171.04504	0.3
173.04497	0.3
175.04031	2.0
185.06036	0.5
187.03969	0.3
191.05574	0.7
195.04445	0.2
197.06030	0.4
198.03163	0.4
199.04016	2.0
201.01988	0.7
211.03937	0.4
211.63507	0.2
213.05620	0.6
215.03503	0.3
216.42296	0.2
217.05042	0.8
220.20123	0.2
227.03517	0.5
235.34631	0.2
239.03465	0.3
241.05063	0.7
243.03017	0.5
255.02884	0.4
256.03845	1.2
257.04520	0.5
267.02960	0.3
269.04291	0.4
283.02621	0.3
284.03259	14.6
285.04034	100.0
286.04385	3.0
297.03976	0.3
327.05087	0.4
339.38348	0.2
549.16162	0.2
593.15094	57.8
594.06824	0.2
594.15521	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18933	0.3
54.84175	0.3
55.63328	0.4
59.01381	4.8
60.65991	0.3
63.96236	23.5
65.03972	0.3
68.99811	0.7
69.03443	2.8
69.51076	0.9
69.51481	0.8
71.01373	2.6
72.78054	0.3
73.02934	0.4
75.00854	0.5
78.98586	86.8
79.98524	0.3
85.02950	0.8
87.00869	0.5
89.02454	2.3
91.90130	0.3
93.03432	1.2
96.96014	0.5
98.22575	0.5
101.02439	4.5
109.39294	0.3
113.02448	0.9
116.92818	0.4
119.03495	0.9
121.02927	0.5
121.06588	0.4
128.90178	0.7
129.01915	0.4
133.02942	1.3
135.04503	1.8
137.02423	0.9
149.04643	0.4
149.05951	0.5
153.05595	2.3
161.02435	4.1
161.04628	0.5
162.03094	0.5
165.05519	0.7
177.05565	2.1
179.03497	0.8
179.05515	0.6
181.01756	100.0
182.02007	1.2
189.05554	0.7
191.05585	1.4
191.07182	0.6
213.05460	0.3
221.04553	1.2
249.07672	0.5
261.83664	0.3
281.06552	0.8
288.38123	0.3
311.07532	0.5
359.44263	0.4
361.05911	0.8
429.13931	3.8
503.11536	0.8
550.25934	0.6
575.16968	1.4
593.15228	14.8
594.15338	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1509
Annotation	6-C-Glucopyranosyl-8-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
71.01369	1.6
87.22974	0.6
87.87011	0.6
93.03462	0.9
94.53303	0.6
97.02948	0.8
107.55499	0.5
117.03450	4.0
119.04994	1.0
123.04584	0.7
134.89439	0.6
135.04497	1.9
147.04489	0.7
149.02463	0.8
158.90434	0.7
159.04427	0.6
161.02420	1.9
161.58382	0.7
163.03984	1.4
175.04074	1.4
177.01787	1.1
177.05542	1.8
179.03377	0.6
191.03439	1.7
191.05426	0.6
202.16618	0.6
203.03485	1.5
205.04961	0.8
224.08156	0.7
265.12207	0.6
268.07391	1.2
281.04465	0.9
282.05420	1.9
283.06061	3.2
295.06140	4.0
296.06839	4.0
297.07663	19.4
307.06161	2.6
309.07620	2.3
311.05551	2.4
321.07550	0.7
323.05585	3.8
324.06509	1.1
325.07126	8.2
328.05939	1.5
335.05634	1.2
337.07208	3.0
351.04825	0.9
353.06665	41.5
354.06998	1.7
355.08215	0.9
356.05304	1.1
365.06769	3.5
367.07986	0.7
383.07693	23.8
384.07922	0.8
395.07690	2.9
413.08896	1.6
425.08649	1.0
455.09583	0.8
473.10831	11.1
474.11539	0.7
503.12094	2.9
575.14264	0.9
593.15076	100.0
594.15320	3.1
624.30438	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
57.81314	0.3
59.01381	3.3
60.65889	0.3
71.01379	4.3
73.02953	1.5
83.01382	0.9
85.02937	1.8
87.00872	0.8
88.98799	1.1
89.02440	1.7
90.98600	0.4
95.01358	0.6
96.96018	1.4
96.96975	0.3
99.00886	0.6
101.02433	3.1
105.03475	0.9
106.45612	0.3
113.02430	1.4
117.03468	1.3
123.04607	0.4
125.02463	0.4
127.18842	0.3
132.02197	2.2
133.02959	33.6
134.03795	1.6
135.04529	10.7
137.02405	0.4
161.02446	100.0
161.28021	0.3
162.02795	2.3
178.94977	0.3
179.03491	5.8
191.05606	0.8
229.34874	0.3
268.03842	0.4
269.04544	0.6
275.69604	0.3
284.03299	0.4
285.04120	0.4
299.05716	0.6
323.07635	0.4
371.20898	0.4
431.14655	0.7
431.23093	0.4
533.25848	0.8
593.18774	65.0
594.19000	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	593.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37856	0.3
53.46030	0.3
54.00052	0.3
55.44677	0.3
58.09757	0.3
59.01379	5.8
60.43176	0.3
61.98831	1.9
65.03909	0.5
68.99773	1.1
69.03456	5.8
71.01385	3.7
72.99306	5.8
73.02915	0.8
75.00832	0.3
83.01341	0.3
85.02905	1.2
88.98761	0.3
89.02448	3.4
90.98575	0.5
93.03461	4.9
95.01387	0.4
96.96010	2.0
97.02915	0.4
99.00870	0.5
101.02442	4.7
105.03432	0.4
107.05025	1.9
109.02944	0.4
113.02456	1.8
117.03426	0.4
119.03460	1.0
119.05030	26.9
120.05323	0.5
121.02971	1.6
121.06542	0.6
123.04528	0.4
125.02410	0.7
133.02028	0.4
133.02959	6.3
134.03780	1.9
135.04530	27.6
136.04852	0.3
137.02441	3.5
145.02925	0.6
145.06656	0.4
149.02361	0.5
151.00366	0.5
151.03960	0.4
153.05585	5.1
156.75671	0.3
161.02446	16.3
161.04544	0.6
161.06033	0.4
162.02757	0.7
163.04012	32.9
164.04344	0.8
167.04994	0.4
168.00591	0.7
173.04634	0.7
173.06114	0.8
176.04745	0.3
177.05553	0.6
179.03474	2.9
179.05745	0.4
181.05066	100.0
182.05391	2.0
189.05527	1.5
191.05637	1.7
191.07118	0.6
207.06581	0.3
213.05608	0.5
221.04622	0.8
223.09831	0.6
249.07663	0.4
257.04565	0.3
267.09021	0.4
269.04547	3.6
281.06763	0.7
284.03232	1.8
285.04050	5.9
285.07257	0.3
299.05624	0.9
323.07874	0.5
361.09451	1.2
383.10129	0.8
399.10703	0.5
425.10922	0.4
429.13974	11.3
430.14572	0.9
431.12634	1.0
485.13297	1.0
532.22382	0.3
555.30530	0.3
593.19287	18.0
593.27563	2.5
594.20142	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	593.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01119	0.7
59.01379	18.9
61.98825	18.6
63.02398	2.3
63.25087	0.9
65.00329	1.1
65.08363	0.9
69.02461	0.8
69.03440	0.9
69.12978	4.9
69.84335	0.9
71.01380	10.0
75.19726	0.9
75.75852	0.7
79.44327	0.9
83.01389	0.9
85.02943	2.6
87.00893	1.1
88.54709	0.8
89.02451	8.9
93.03412	1.4
95.01408	1.1
96.88757	0.8
98.21854	1.9
99.04516	8.2
101.02444	7.2
106.96394	0.7
107.01391	2.1
109.02948	2.4
109.23589	0.8
113.02460	2.5
117.03444	6.1
119.03518	3.2
123.04565	1.2
132.02164	1.4
133.02951	26.1
134.03772	6.2
134.41852	1.1
135.04523	62.1
136.04836	1.1
137.02451	2.9
145.02948	4.6
148.05324	2.0
149.02441	1.9
149.06081	9.9
151.00391	3.6
155.03520	1.0
159.04579	1.6
161.02441	98.0
162.02814	3.0
169.37010	0.8
173.04501	1.6
175.03961	1.0
177.05568	20.0
179.03491	70.8
180.03876	1.8
189.12856	3.0
191.05562	2.7
197.02448	0.8
197.06181	0.9
199.03954	2.1
203.03604	1.0
204.41888	0.9
207.13889	13.6
217.05183	1.0
221.04544	33.8
225.05591	1.1
251.05605	26.2
251.12877	20.9
252.13187	1.0
256.03406	0.9
269.04541	100.0
270.04861	4.9
281.06671	41.5
282.06982	1.3
284.03241	5.1
285.04034	39.9
286.04422	1.7
323.07712	9.2
341.08740	36.4
342.09030	1.4
431.19217	35.9
432.19415	1.7
593.12903	31.5
593.22479	58.5
594.13440	2.3
594.22815	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	593.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.3
61.98830	13.6
63.02401	1.3
65.00330	0.9
66.19499	0.4
69.03456	0.5
71.01384	7.7
73.02949	1.2
75.45461	0.4
83.01402	1.3
85.02966	1.8
88.98820	0.5
89.02448	6.0
93.03466	1.4
95.01420	0.7
97.02930	0.5
98.22626	1.3
99.04517	5.9
101.02436	3.5
105.03424	0.8
107.01382	2.7
107.05013	0.6
109.02962	1.1
111.04533	0.7
113.02467	2.7
117.03474	5.8
119.03509	1.5
119.05032	0.7
121.02986	1.0
122.29980	0.4
123.04488	0.5
131.03490	0.5
132.02191	1.3
133.02962	20.9
134.03773	3.9
135.04529	47.5
136.04834	1.3
137.02425	1.9
145.02946	2.8
148.05260	2.2
149.02431	1.5
149.06096	8.2
150.06447	0.4
151.00398	2.9
155.03484	0.8
159.04507	2.0
160.01686	0.5
161.02448	69.9
162.02811	1.6
173.04564	2.2
173.05919	0.5
174.01762	0.5
175.04016	1.3
177.02017	0.5
177.05576	16.4
178.02698	1.4
179.03497	52.4
180.03882	1.4
181.06566	0.6
189.05528	0.6
189.12839	2.3
191.05629	1.9
197.06078	0.4
199.04039	0.7
201.05544	0.8
203.03554	1.7
207.13898	9.6
221.04550	22.2
222.04785	0.5
225.05617	1.3
227.03549	1.0
227.06920	0.4
239.03477	0.5
241.05145	0.5
251.05608	19.0
251.12868	15.3
252.05855	0.6
256.03665	0.5
268.03793	0.5
269.04544	100.0
270.04886	4.5
281.06665	30.2
282.07065	1.1
284.03278	4.5
285.04044	34.3
286.04337	1.6
311.93015	0.4
323.07672	7.8
324.07928	0.5
341.08783	27.3
342.09113	1.0
350.58856	0.5
431.19232	28.9
432.19675	1.3
533.27936	0.7
593.12976	29.9
593.22552	37.2
594.13367	2.8
594.22791	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	593.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58518	0.3
59.01378	3.0
60.99306	15.5
61.98828	0.4
69.09650	2.3
71.01385	1.4
72.99297	0.9
73.02938	0.5
82.95361	0.4
82.98170	0.3
85.02927	0.6
87.00879	1.3
88.98808	100.0
89.02442	12.2
89.03006	0.4
101.02454	1.3
113.02493	0.5
117.03482	0.5
119.03509	0.6
129.82957	0.4
133.02951	2.6
135.04520	2.3
151.00342	0.5
153.50774	0.3
161.02437	5.4
161.04504	0.4
162.02870	0.4
173.04550	0.4
177.05603	0.4
179.03560	2.0
191.05623	1.0
221.96681	0.3
241.05121	0.6
242.05196	0.3
251.12927	0.5
268.03732	1.1
269.04538	17.4
270.04929	1.0
284.03275	7.1
285.03894	1.2
299.05594	8.2
300.05768	0.5
301.59381	0.3
388.14954	0.4
503.24942	1.7
533.26044	0.4
593.18091	2.4
593.27295	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95487	0.3
59.01376	2.1
60.99308	15.3
61.98804	0.5
69.67577	1.4
71.01373	1.9
72.99297	0.6
73.02937	0.5
79.72797	0.3
81.26752	0.3
85.02957	0.7
87.00890	0.7
88.98805	100.0
89.02441	10.6
89.99115	0.4
96.96073	0.4
101.02435	0.7
107.01419	0.3
117.03458	0.8
118.90435	0.3
123.04454	0.4
125.02441	0.4
133.02962	2.0
135.04491	2.3
142.69212	0.4
161.02446	6.0
161.04501	0.4
179.03462	1.3
191.05621	1.1
207.13866	0.4
221.16847	0.3
241.05061	0.9
251.12894	0.4
256.03818	0.4
268.03714	1.4
269.04535	26.2
270.04865	1.4
284.03265	10.9
285.03909	1.4
299.05585	13.0
300.05917	0.6
348.19891	0.3
355.11639	0.4
379.01807	0.4
388.14487	0.4
503.24921	1.5
571.01874	0.4
593.17633	2.6
593.27496	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2634
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
53.48162	0.8
59.01369	0.8
61.98829	15.7
63.96241	1.3
69.53628	3.3
71.01368	5.2
73.02940	2.5
78.98589	3.6
79.95734	28.5
80.96517	51.9
83.01407	0.9
85.02937	1.6
87.00851	1.7
94.98071	11.1
96.96037	0.9
97.02950	0.9
100.76604	0.7
101.02438	2.0
106.98081	3.1
110.79426	0.8
117.03522	0.9
122.97545	4.0
125.02442	3.7
133.02956	1.7
134.97557	3.5
135.04497	1.7
136.99100	1.4
145.02971	0.7
148.99118	5.7
151.00302	0.9
152.98643	5.8
159.68130	0.7
161.02441	4.1
161.04536	0.9
164.98618	8.2
182.29781	0.8
182.99678	1.2
206.99670	3.3
225.00742	17.4
241.00224	1.3
243.01801	1.9
269.04553	13.4
270.04544	1.0
284.03104	1.7
285.01245	0.9
285.04099	10.7
293.21414	0.9
299.04462	4.1
323.07687	3.1
371.06561	1.0
399.09470	1.6
455.15717	1.5
495.18890	1.8
523.18427	1.1
524.19055	0.9
593.12903	9.9
593.26331	100.0
594.12793	1.1
594.26556	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	593.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.3
69.95322	1.3
69.95673	1.3
75.95541	0.6
78.95902	75.0
81.18059	0.7
89.62247	0.6
92.26410	0.6
93.23387	0.7
94.98772	0.6
96.96961	15.0
104.66075	0.7
150.98027	0.7
152.99586	100.0
171.00650	2.4
179.47267	0.6
223.00127	11.2
233.22681	0.9
241.01183	28.0
259.02209	1.8
277.21725	52.4
278.22101	2.0
295.92255	0.6
315.04861	14.0
333.05801	0.8
365.26913	1.6
539.97827	0.7
593.27289	76.5
594.27716	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	593.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.2
61.98822	0.4
78.42326	0.4
78.95905	66.5
81.83817	0.4
83.05003	0.4
95.04998	0.5
96.96967	13.2
98.22593	1.0
127.07681	0.4
133.86516	0.5
134.98569	0.5
135.04465	0.6
150.98003	1.3
152.99588	54.8
161.02405	0.8
166.08768	0.4
171.00688	0.5
173.49554	0.4
204.11275	0.4
223.00125	1.2
241.01183	29.8
242.01399	0.4
247.51053	0.4
256.51563	0.4
259.02228	0.7
262.13959	1.4
269.04517	1.8
277.21732	48.2
278.22092	1.1
285.03943	1.1
299.22119	0.8
315.04868	7.6
413.21017	4.9
429.75839	0.5
431.22083	0.8
593.27325	100.0
594.27643	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	593.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
60.41999	0.6
69.77475	2.2
78.95903	62.4
81.79166	0.6
91.75524	0.6
96.96963	11.2
104.32504	0.7
124.88925	0.7
150.98013	1.0
152.99588	95.5
171.00673	2.8
223.00110	10.7
241.01173	25.8
259.02219	1.3
277.21713	48.0
278.22040	2.0
315.04861	15.4
333.05869	1.5
593.27319	100.0
594.27820	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	593.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49247	1.5
57.84604	1.3
59.01379	100.0
67.29668	1.6
67.54419	1.3
69.03462	2.0
69.63752	5.8
71.01007	2.4
71.01378	33.3
72.99313	2.3
73.02928	3.6
75.00873	4.3
78.98577	6.7
85.02953	8.9
87.00897	2.9
88.46269	1.3
89.02444	48.1
93.03458	2.9
95.01385	3.4
96.44649	1.4
97.02971	1.8
99.00844	2.0
101.02439	29.0
103.01490	13.6
113.02464	12.1
119.03503	20.6
125.02419	3.3
131.03484	2.3
133.02930	2.0
135.04538	2.2
143.03482	5.0
149.04538	5.5
153.05611	1.5
161.02452	2.0
161.04547	6.1
165.05527	2.0
173.04491	1.7
179.05603	18.7
181.01750	9.6
191.05577	11.1
261.04065	4.2
297.07681	5.7
325.07092	2.2
353.06680	8.1
383.07571	5.6
435.09222	2.2
473.10919	4.3
520.18188	1.6
533.26154	30.9
543.16919	1.7
593.15021	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	593.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77926	1.2
55.01630	1.3
55.01871	4.0
57.03448	2.6
57.58565	1.2
59.01381	36.8
69.03480	1.3
71.01009	2.5
71.01385	41.4
72.99306	1.9
73.02940	14.4
83.01408	7.8
85.02946	18.1
87.00859	2.5
88.98811	3.9
89.02442	17.0
93.03459	1.9
95.01368	3.6
96.96024	1.9
97.02947	1.8
99.00890	6.1
101.02447	33.9
111.00863	1.5
113.02460	15.8
119.03516	4.8
119.04998	2.7
120.34832	1.3
121.03000	1.4
125.02463	2.4
126.90517	1.5
133.02902	1.5
134.03699	1.6
135.04555	7.7
136.46941	1.3
137.02509	2.6
149.04494	1.6
159.02960	2.5
161.02463	8.3
161.04544	13.1
162.02673	1.3
163.04018	2.2
173.04538	2.4
179.03526	3.6
179.05569	3.5
181.05028	4.6
191.05598	6.2
200.09169	1.6
227.03519	8.0
229.05016	2.3
251.05577	1.7
251.12862	1.8
255.02933	15.4
256.03339	1.8
257.04291	1.9
263.07779	1.5
284.03302	17.2
285.04034	31.3
286.04361	1.5
371.20731	20.1
431.19058	1.9
459.12845	1.8
502.77359	1.5
505.12637	1.6
533.26038	100.0
534.26300	5.8
557.18848	5.5
593.14960	34.7
593.28113	6.8
594.15527	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	593.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.7
59.01370	2.8
61.98824	3.5
68.34942	1.2
71.01420	1.9
77.19019	1.2
78.95904	34.7
80.96513	4.3
95.96155	1.4
96.45858	1.1
96.96000	1.5
96.96963	8.6
100.22425	1.1
113.09727	12.7
117.03512	2.1
122.98522	4.4
125.00077	3.0
125.02473	3.1
133.02962	2.6
135.04532	1.5
135.11752	1.2
139.11261	1.6
143.60469	1.1
150.98007	2.7
151.00423	3.0
151.01649	1.3
152.99597	28.3
161.02449	3.3
167.10803	2.9
168.04297	5.6
171.00610	2.4
177.12849	2.6
179.10718	1.5
179.14375	2.2
181.02634	1.5
193.12305	1.4
195.13879	12.6
199.13297	1.6
205.12329	3.8
223.13396	23.2
224.07108	2.3
225.00661	1.5
225.05574	1.3
242.07965	8.9
249.22260	1.3
269.04587	16.0
270.05072	1.5
284.03232	4.5
285.04092	12.4
293.21219	100.0
294.21555	3.6
295.22781	5.8
307.22800	20.8
323.07629	2.8
361.13907	1.4
375.15781	7.7
396.28189	3.2
404.18277	1.6
417.01605	1.6
420.21368	4.1
447.21448	4.3
448.20978	12.6
449.21396	1.6
473.23108	2.0
474.23859	1.6
499.59702	1.3
518.28662	6.5
518.63269	1.3
532.30334	1.4
536.30078	6.0
590.68567	1.4
593.13654	11.3
593.25244	9.3
593.34021	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	593.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96563	1.7
59.01372	4.9
61.98830	15.3
71.01377	3.2
78.95905	10.1
85.02948	3.6
96.76019	1.8
111.86577	1.7
112.32285	2.0
117.03485	2.2
129.09196	5.2
133.02946	7.2
135.04526	7.0
139.11313	2.8
145.02893	3.7
151.00356	2.7
152.99573	8.1
155.10760	1.8
161.02432	15.1
163.21227	1.8
168.04218	2.3
171.10280	4.2
173.04498	2.0
179.03487	3.0
181.12386	2.3
191.05646	6.2
193.12378	2.6
193.33443	1.9
197.11858	3.7
199.13406	4.4
201.05583	1.9
211.13335	10.5
242.07921	3.4
260.23273	1.8
269.04559	40.6
270.04825	3.8
284.03189	7.8
285.04077	33.1
293.21246	11.6
311.22272	53.8
323.07584	5.6
439.88028	2.0
465.22675	5.0
536.29938	100.0
537.29987	5.8
593.13135	34.0
593.23651	3.5
593.32513	2.8
594.13239	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	593.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63250	4.2
54.19339	4.4
59.01376	13.9
61.98829	27.5
63.02402	5.1
68.54310	4.5
71.01395	6.5
71.44957	4.2
78.95903	12.9
89.02449	6.9
89.10038	4.5
117.03458	9.2
123.01913	4.2
131.64822	4.1
133.02968	21.9
135.04504	15.6
145.02946	8.0
150.52646	4.1
151.00378	8.8
152.99608	12.6
159.31929	4.7
161.02431	39.7
164.58766	4.5
165.05458	5.0
169.12247	4.1
179.03493	9.9
191.05647	4.6
197.11797	14.5
199.13519	7.4
211.04152	5.5
211.13399	14.1
239.63889	5.0
269.04556	99.6
270.04889	6.8
284.03320	16.1
285.04068	78.2
285.07016	9.0
293.21155	9.3
311.22208	51.7
312.22763	4.9
323.07602	22.7
465.22452	7.4
477.71976	5.0
496.19235	4.6
536.29944	100.0
573.91205	4.9
584.97168	4.4
593.12946	86.7
594.13086	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	594.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.8
61.98831	100.0
68.99808	0.5
69.03445	0.6
69.17039	0.5
69.17434	1.5
69.44904	0.3
71.01398	0.4
73.02926	0.4
93.03490	0.4
101.02456	1.4
133.02986	1.2
134.03741	0.4
135.04561	0.9
137.02470	0.4
155.03549	1.0
161.02483	1.2
179.03519	0.6
183.06783	0.4
205.40512	0.3
269.04495	2.1
270.05011	1.2
284.03241	0.4
285.04037	1.4
286.04459	0.9
371.15213	0.5
384.10883	0.8
472.99521	0.3
503.42380	0.4
594.13306	3.2
595.24274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
67.72469	0.3
69.84775	0.8
78.95898	1.3
87.65340	0.3
96.96982	0.2
127.38712	0.3
151.71634	0.3
152.99677	0.5
182.92516	0.3
192.98857	0.2
221.49960	0.2
227.03369	0.3
232.63049	0.3
267.02649	0.4
268.03024	0.4
270.04861	0.4
307.18979	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93619	0.7
55.46248	0.7
59.01381	5.5
59.01642	1.0
60.01709	0.7
61.98838	4.4
63.02394	3.6
65.00334	2.5
67.01868	0.8
67.53519	0.8
68.06460	0.7
68.99812	0.9
69.03452	0.8
69.31657	2.9
69.32088	1.3
71.01376	5.1
73.02959	0.8
83.01386	1.4
85.02944	2.2
88.98804	1.2
89.02455	2.8
93.03472	1.7
95.54744	0.7
101.02449	3.2
107.01405	4.3
109.02993	1.6
113.02460	0.9
116.92840	1.2
117.03474	7.6
118.03802	1.0
121.02957	1.3
133.02968	10.9
134.03273	1.4
135.04523	3.5
145.01990	0.9
145.02943	4.5
146.03333	0.9
149.02466	3.1
151.00322	5.1
152.00688	1.1
159.04507	2.1
161.02463	11.4
162.02786	1.9
175.04037	1.3
179.03586	1.9
180.03883	1.0
181.06476	1.0
183.04483	1.0
191.05612	15.6
197.06059	1.0
199.03960	2.3
200.04550	1.2
206.08832	0.8
225.05620	1.7
226.06271	2.6
227.03558	1.4
227.07115	15.7
228.07484	5.3
256.03641	1.0
268.03815	2.8
269.04556	100.0
270.04907	33.0
271.05103	6.4
282.94992	0.8
284.03259	10.6
285.04044	66.5
286.04398	30.7
287.04495	5.1
287.37546	1.0
323.07861	1.8
324.07913	1.1
327.05035	1.3
329.13837	1.0
353.13870	1.1
371.15085	3.0
389.27029	2.0
403.17743	7.4
433.09561	1.9
441.55396	0.8
447.09238	1.3
448.09750	0.9
479.59344	2.8
480.08844	1.1
525.16394	1.5
549.29236	4.3
551.32123	11.0
577.13599	1.7
578.13147	1.5
593.12897	8.5
593.63275	2.1
594.13477	13.6
595.13660	3.1
595.27490	1.9
609.12927	3.3
610.12842	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	594.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67139	0.4
56.58368	0.4
57.65596	0.5
57.90155	0.4
58.73511	0.4
59.01375	1.7
61.98830	1.7
63.02400	1.4
65.00332	1.8
71.01392	0.8
77.26289	0.4
83.01394	1.2
85.02977	1.0
89.02442	0.5
95.01414	0.7
101.02474	1.1
105.03513	0.5
107.01407	3.2
108.01745	0.5
109.02925	1.0
117.03464	6.3
118.03782	2.9
119.05028	2.6
120.05377	0.8
121.02956	0.6
133.02963	7.4
134.03259	2.8
134.12140	0.4
135.04532	3.7
136.04895	0.7
140.85703	0.4
145.02954	12.1
146.03285	4.4
149.02463	2.0
150.02733	0.5
151.00386	7.0
152.00755	1.3
161.02472	5.9
162.02744	2.1
163.04036	1.0
175.04008	2.3
176.04364	0.9
179.03482	0.9
185.05997	0.6
191.05635	1.8
199.03937	2.6
200.04433	1.1
201.01915	1.0
213.05452	0.5
217.05072	1.0
218.05501	0.7
227.03476	0.7
227.07083	0.5
241.05008	1.1
242.05463	0.6
243.03032	0.8
243.06555	0.5
256.03790	1.1
257.04202	1.0
267.03189	0.6
269.04538	12.1
270.04877	9.4
271.05292	0.6
284.03262	13.3
285.03995	80.6
286.04379	67.3
287.04675	3.8
323.07675	1.7
324.08035	2.1
327.05362	0.7
328.05453	0.6
386.18747	0.4
389.26877	1.0
403.17017	0.5
447.09436	0.9
448.09726	0.6
544.25531	0.5
551.32184	4.2
594.13354	100.0
595.13757	9.2
595.23309	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71995	1.7
54.92084	1.5
59.01382	17.5
59.67602	1.4
61.98830	17.9
62.96584	1.6
69.62862	6.6
70.41062	1.5
71.01402	1.5
76.69530	1.6
78.95892	8.4
79.95739	3.9
80.96527	7.7
94.98051	1.8
113.09707	2.2
133.97482	1.7
152.99617	4.4
161.02373	2.6
168.04297	2.7
195.13882	21.1
255.13359	1.6
269.04553	4.5
277.21719	19.8
285.03876	3.0
286.04376	2.4
295.22766	100.0
368.17749	1.9
424.72427	2.1
511.63739	1.7
520.30420	88.6
521.30829	2.8
557.45447	1.9
594.13416	5.4
594.26196	14.4
595.26215	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.6
59.01379	19.3
61.98835	1.0
65.32433	0.3
70.68649	0.3
71.01361	0.4
78.95907	9.0
80.96530	0.8
85.20485	0.4
86.48972	0.3
91.38348	0.4
94.19392	0.3
96.96949	0.4
113.09753	2.1
133.05031	0.3
152.99583	2.7
167.79491	0.4
168.04326	1.9
177.12846	0.6
179.14406	1.1
181.12401	0.5
195.13908	20.6
224.06943	1.3
233.22804	0.6
242.07909	4.0
251.23726	0.5
269.04507	1.0
270.04840	1.1
277.21729	18.8
278.22083	0.7
285.04053	0.7
286.04349	0.8
295.22766	100.0
296.23148	2.9
309.24338	0.4
432.45856	0.3
449.23059	2.0
520.30426	86.0
521.30792	3.5
535.26563	0.5
594.13776	1.0
594.26276	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	595.146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.1
59.01383	26.9
61.98833	8.4
63.02391	2.4
65.00325	11.5
66.26559	1.0
68.99819	3.8
69.03454	2.7
71.01382	12.9
72.99316	1.4
73.02947	3.7
81.03455	1.5
83.01395	9.7
85.02956	8.7
87.00874	1.3
88.98786	1.0
89.02450	7.4
92.02682	1.4
93.01396	0.9
93.03461	24.9
95.01377	2.2
97.02943	1.5
101.02447	14.1
103.04021	2.9
107.01396	19.0
107.05048	1.7
108.02206	1.4
109.02965	1.7
113.02444	2.6
117.03477	3.0
119.03516	3.4
119.05032	41.2
120.05346	1.0
121.02955	11.0
125.02454	31.3
127.04006	1.7
132.02182	2.1
133.02972	17.8
134.03764	2.6
135.04526	23.7
136.01660	1.6
137.02452	14.1
145.02980	7.7
145.05119	1.0
149.02443	3.0
149.06094	1.2
151.00377	74.0
152.00656	1.2
159.04413	1.1
161.02454	65.7
161.06093	2.3
162.02766	1.8
163.04045	1.6
163.06142	4.1
165.01894	4.8
169.01469	1.3
172.05318	1.1
173.04535	3.3
173.05890	1.1
174.03215	2.0
175.00429	2.4
175.03998	1.6
177.01945	12.0
177.05568	4.3
179.03516	15.6
185.06085	3.0
187.04012	4.3
187.07701	1.1
191.05635	22.0
192.04301	4.9
192.05943	2.7
193.01411	1.2
193.06143	1.3
197.06094	2.2
199.07629	1.6
203.03523	2.6
207.06599	6.8
215.03598	1.1
221.04497	5.9
227.07147	19.3
251.05577	1.1
268.03650	1.5
269.04517	7.0
270.04904	3.8
271.06131	100.0
272.06384	3.2
281.06482	2.1
283.13324	1.4
284.03360	1.1
285.03961	5.6
286.04401	2.8
287.05353	2.8
301.14630	1.2
307.10312	2.5
309.15170	1.4
311.12521	1.1
323.07715	84.2
324.08011	4.1
329.13965	5.8
371.14890	3.8
401.16095	1.6
402.16336	3.4
403.17163	6.1
427.12454	7.2
449.10776	7.1
475.08121	1.3
493.17325	1.8
501.10379	3.5
507.30649	1.0
525.15991	5.0
551.21759	1.1
563.21979	1.0
577.22937	2.0
594.31647	1.1
595.14508	61.0
595.27161	9.3
596.14850	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	595.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87906	0.6
55.01876	2.8
57.03444	2.1
57.37040	0.6
59.01379	56.1
59.15345	0.6
61.98829	29.2
63.02396	1.7
65.00322	13.6
68.99809	3.1
69.03451	2.8
71.01379	27.4
71.44501	0.6
72.99308	0.7
73.02944	10.2
75.00874	1.0
80.18218	0.6
81.03449	1.0
83.01389	12.4
84.39468	0.7
85.02951	13.4
86.00126	0.8
87.00883	3.7
88.98816	1.0
89.02441	9.1
93.03456	2.4
95.01382	4.7
96.96024	0.9
97.02943	1.8
99.00897	3.8
101.02444	26.9
107.01387	22.3
109.02955	3.5
109.64749	0.6
111.00883	4.3
113.02443	11.4
117.03487	2.9
119.03545	3.0
119.05025	4.3
121.02989	0.8
123.04521	1.1
125.02456	10.4
131.01366	1.9
131.03493	0.7
133.02966	6.4
133.06689	0.8
134.03745	2.3
135.04523	65.9
136.04863	1.8
137.02441	2.4
143.03516	1.0
145.02953	11.5
149.02455	1.4
149.05885	1.0
151.00368	100.0
152.00731	1.5
155.03505	1.5
159.03033	1.1
159.04485	1.0
161.02458	14.8
161.04536	4.7
161.06020	1.7
162.02773	1.4
163.04021	3.6
165.01930	1.2
169.01385	1.6
173.04570	2.0
174.03111	0.7
175.00368	5.0
177.00635	0.6
177.01857	3.0
179.03531	3.3
180.05792	0.5
181.05148	0.6
191.05617	6.5
192.06059	0.7
193.01407	1.6
205.05127	1.5
209.11697	0.7
211.03766	0.6
217.01407	0.9
227.07214	0.7
251.05598	1.6
265.07196	1.9
269.04504	13.0
269.13806	3.8
270.04996	5.5
271.05228	2.8
271.22766	1.0
284.03287	1.1
285.04034	11.1
286.04327	2.8
287.05603	75.4
288.05896	3.1
307.08258	12.9
308.08594	0.8
311.05521	1.3
323.07657	0.8
325.08990	0.8
371.14938	1.0
373.27457	2.9
384.10547	0.8
386.10007	0.8
401.15897	0.7
403.17047	0.7
433.28043	17.0
447.09430	1.2
449.10886	0.8
449.42899	0.7
459.09183	3.2
525.15991	2.8
535.33032	12.0
577.22668	1.0
595.14404	30.3
595.25287	3.8
595.33435	88.7
596.14655	1.9
596.34296	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.1
59.01383	26.9
61.98833	8.4
63.02391	2.4
65.00325	11.5
66.26559	1.0
68.99819	3.8
69.03454	2.7
71.01382	12.9
72.99316	1.4
73.02947	3.7
81.03455	1.5
83.01395	9.7
85.02956	8.7
87.00874	1.3
88.98786	1.0
89.02450	7.4
92.02682	1.4
93.01396	0.9
93.03461	24.9
95.01377	2.2
97.02943	1.5
101.02447	14.1
103.04021	2.9
107.01396	19.0
107.05048	1.7
108.02206	1.4
109.02965	1.7
113.02444	2.6
117.03477	3.0
119.03516	3.4
119.05032	41.2
120.05346	1.0
121.02955	11.0
125.02454	31.3
127.04006	1.7
132.02182	2.1
133.02972	17.8
134.03764	2.6
135.04526	23.7
136.01660	1.6
137.02452	14.1
145.02980	7.7
145.05119	1.0
149.02443	3.0
149.06094	1.2
151.00377	74.0
152.00656	1.2
159.04413	1.1
161.02454	65.7
161.06093	2.3
162.02766	1.8
163.04045	1.6
163.06142	4.1
165.01894	4.8
169.01469	1.3
172.05318	1.1
173.04535	3.3
173.05890	1.1
174.03215	2.0
175.00429	2.4
175.03998	1.6
177.01945	12.0
177.05568	4.3
179.03516	15.6
185.06085	3.0
187.04012	4.3
187.07701	1.1
191.05635	22.0
192.04301	4.9
192.05943	2.7
193.01411	1.2
193.06143	1.3
197.06094	2.2
199.07629	1.6
203.03523	2.6
207.06599	6.8
215.03598	1.1
221.04497	5.9
227.07147	19.3
251.05577	1.1
268.03650	1.5
269.04517	7.0
270.04904	3.8
271.06131	100.0
272.06384	3.2
281.06482	2.1
283.13324	1.4
284.03360	1.1
285.03961	5.6
286.04401	2.8
287.05353	2.8
301.14630	1.2
307.10312	2.5
309.15170	1.4
311.12521	1.1
323.07715	84.2
324.08011	4.1
329.13965	5.8
371.14890	3.8
401.16095	1.6
402.16336	3.4
403.17163	6.1
427.12454	7.2
449.10776	7.1
475.08121	1.3
493.17325	1.8
501.10379	3.5
507.30649	1.0
525.15991	5.0
551.21759	1.1
563.21979	1.0
577.22937	2.0
594.31647	1.1
595.14508	61.0
595.27161	9.3
596.14850	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	595.1668
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
53.66373	1.4
57.03398	1.5
59.01368	1.6
59.76004	1.4
69.03447	1.7
69.47624	6.4
71.01366	2.5
81.03440	2.8
83.01376	4.5
83.61263	1.3
89.02464	1.5
93.03442	7.0
96.36534	1.6
97.02939	4.8
107.01398	5.9
109.02929	4.2
110.68597	1.4
111.04508	3.2
119.04234	3.1
119.05032	37.3
121.02939	4.9
123.00887	1.7
123.04537	2.7
125.02441	9.6
135.04482	3.5
137.02467	3.7
139.03976	4.9
143.05009	3.7
145.02919	6.4
147.04539	2.5
149.02402	5.4
150.03168	1.9
151.00354	3.2
161.06102	2.1
163.00330	3.6
163.03987	4.3
165.01955	5.2
165.05617	1.8
167.03522	8.1
175.03891	1.9
177.01918	5.5
178.02707	2.1
179.03493	3.4
182.95110	1.8
185.06021	1.5
187.03975	5.0
191.03484	4.5
191.05576	3.5
193.01463	11.3
197.04506	4.0
199.07669	2.1
205.01428	6.6
207.02965	3.5
209.04509	4.4
212.91924	1.5
219.02960	2.8
223.02341	1.9
227.07108	3.2
235.02441	14.5
249.04103	2.9
265.03516	5.4
271.06067	3.4
283.06149	2.4
313.07285	18.0
325.07043	6.1
343.08255	6.5
355.08240	79.4
356.08420	4.2
367.08188	4.2
385.09271	63.5
386.09637	2.8
386.86224	1.8
397.09067	4.2
415.10425	18.8
457.11368	9.8
475.12430	42.5
476.12845	2.7
487.12534	4.2
505.13510	11.9
575.56067	1.7
577.15009	3.5
595.16650	100.0
596.17139	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	595.1666
Annotation	Okanin 4-methyl ether 4'-primveroside
Peak:m/z	Relative Intensity
59.01370	3.2
60.99298	1.2
61.98825	0.8
62.89205	0.3
65.00311	1.6
67.01880	0.4
68.99802	0.9
69.03446	0.7
69.14159	2.0
71.01380	2.0
73.02965	0.4
73.45105	0.3
83.01388	1.7
85.02952	0.7
87.00832	0.4
87.47450	0.3
88.98805	7.7
89.02448	3.5
93.03448	0.5
95.01310	0.3
98.22689	0.7
101.02453	2.7
107.01392	2.9
108.02184	2.4
109.02968	0.5
111.00959	0.3
113.02471	0.9
113.33910	0.4
119.03471	0.8
124.01687	0.5
125.02469	3.3
126.90360	0.4
133.02960	2.9
134.03784	4.9
135.04529	2.5
136.01662	4.3
149.06071	1.2
151.00372	8.6
152.01006	0.4
158.03725	0.9
160.01772	0.5
161.02448	8.6
162.02789	3.4
163.02870	1.6
164.01155	13.1
164.07045	0.4
173.06010	0.7
174.03249	3.2
175.00362	0.8
175.03992	0.6
177.01950	1.0
179.03479	0.6
185.02464	0.4
187.04013	0.9
188.04762	0.4
191.05624	1.8
196.00114	1.5
199.03967	3.6
200.01181	0.4
200.04723	1.4
201.01894	2.7
202.02699	0.7
213.05484	0.9
214.06299	0.8
215.03484	1.6
215.07062	0.7
216.04230	0.8
217.04956	0.5
224.04807	0.7
227.03529	1.3
230.05820	0.5
233.08244	0.4
237.05640	0.4
240.04382	0.8
241.05099	2.3
242.05829	5.9
257.08115	2.9
258.05212	1.8
259.06262	0.4
268.03741	1.3
278.20026	0.3
283.06168	1.0
285.04111	1.4
286.04810	7.2
301.07159	100.0
302.07559	3.6
310.04977	0.5
325.07098	1.5
343.08176	0.7
373.13293	0.5
493.16653	0.5
500.89487	0.4
525.16083	1.5
594.19489	0.5
595.18512	9.6
595.29590	1.2
596.19080	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34678	1.5
57.34841	1.6
59.01378	90.3
61.98832	13.0
62.64959	1.5
65.00341	2.1
65.38152	1.6
67.01900	3.9
68.99815	52.4
69.03458	27.4
69.26086	4.8
69.26478	2.3
71.01382	45.7
72.68382	1.6
72.99300	3.6
73.02966	3.6
83.01399	3.2
85.02958	15.4
87.00903	3.1
88.98806	1.7
89.02442	40.9
89.76564	1.6
93.03458	11.9
95.01392	3.3
97.02950	1.9
99.00877	3.6
101.02443	82.5
105.03459	2.9
107.01383	2.5
113.02448	16.5
117.03459	5.5
119.03486	20.4
119.04985	13.5
120.88837	1.6
121.02965	10.6
121.08009	1.8
121.50837	1.5
123.04559	1.9
127.04073	2.3
129.01932	2.1
133.02959	20.3
133.06599	2.6
134.03702	1.4
135.03641	1.8
135.04526	11.5
137.02458	8.8
139.99855	1.5
143.03485	1.7
145.02956	16.9
146.03287	2.6
147.04526	6.4
149.02431	5.7
149.06064	2.1
151.00381	6.9
151.04034	1.6
155.03505	3.7
159.04472	2.2
161.02440	43.1
161.04559	2.4
161.06088	7.4
163.04002	14.8
166.02681	5.6
171.04520	2.2
173.02428	4.4
173.04578	4.0
173.06023	2.2
175.03954	2.7
177.01903	4.5
177.05588	4.6
179.03502	7.4
179.05586	6.0
179.07027	2.1
181.05075	21.3
189.05586	3.0
191.05614	45.3
197.06161	2.2
199.03986	4.7
201.01965	3.4
205.05069	6.9
209.11862	6.0
223.06102	2.2
225.05574	1.9
225.14812	2.2
227.07175	6.3
233.04544	9.1
235.06143	3.2
261.04132	3.7
261.07773	2.1
265.07104	6.6
268.03836	2.4
269.04547	61.6
269.07446	3.2
269.13898	22.0
270.04846	9.5
271.05069	3.9
284.03241	8.2
285.04028	50.7
286.04285	23.5
287.04568	17.5
293.06592	2.9
325.09052	6.3
327.16174	2.0
327.73312	2.0
353.13928	3.6
359.18729	2.3
371.14935	5.5
403.17667	17.8
417.15451	6.1
427.12512	1.9
449.19986	4.3
493.17184	24.1
494.17395	2.0
525.16162	100.0
526.16467	5.4
576.18835	1.9
595.13751	47.3
595.25214	21.0
596.14789	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	595.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
59.01381	67.2
61.98830	27.8
63.02403	2.3
65.00323	3.6
68.99439	1.7
68.99817	32.1
69.03457	18.9
71.01382	37.9
72.99319	3.9
73.02958	5.2
83.01394	2.8
85.02955	16.8
87.00864	4.7
88.98824	2.8
89.02444	32.5
93.03447	18.0
95.01405	3.9
97.02971	2.6
99.00897	2.6
101.02447	61.5
104.88908	1.1
107.01388	4.6
109.02950	2.3
111.04550	1.8
113.02447	10.0
117.03457	9.7
117.12968	1.3
119.03506	13.0
119.05035	4.9
121.02959	12.0
125.02470	1.6
127.03990	3.4
129.01988	1.6
132.02187	1.8
133.02963	26.7
133.06622	2.4
134.03625	2.1
134.42749	1.2
135.04503	12.7
136.04800	2.1
137.02443	22.1
143.03534	3.8
145.02953	11.5
146.03264	2.1
147.04549	2.2
149.02473	5.5
149.06139	2.5
151.00349	8.9
151.03972	1.8
155.03500	4.2
156.20674	1.3
158.03668	1.5
159.04515	2.2
161.02451	63.2
161.04575	3.4
161.05991	3.2
162.02826	5.3
163.02821	1.5
163.04044	5.2
165.12848	1.3
166.02740	6.6
173.02487	2.7
173.04578	4.1
173.06033	1.7
175.03940	3.2
177.01956	3.3
177.05545	1.7
178.02582	1.9
179.03462	7.5
179.05656	4.8
181.05078	13.1
187.04028	2.0
189.05605	1.6
191.05621	69.5
192.05898	1.6
193.05122	1.7
197.06064	3.3
198.33141	1.4
199.03983	2.1
200.04813	1.6
205.05074	5.0
207.13818	1.6
209.11868	2.8
211.07648	7.4
217.05084	2.5
227.03629	2.1
227.07114	16.5
233.04486	6.9
233.08231	1.4
255.02884	2.0
261.04068	3.8
265.07034	4.9
268.03824	4.5
269.04538	100.0
269.13971	9.4
270.04922	18.8
271.05115	9.5
281.06732	3.3
284.03329	6.0
285.04019	49.7
286.04321	26.7
287.04593	19.2
289.14313	2.6
293.06567	1.7
299.07712	4.1
311.05594	2.1
311.12967	2.0
313.10754	2.4
323.07626	1.6
324.08148	1.6
325.08646	3.7
329.14047	2.1
353.13974	3.7
357.24402	1.4
371.15039	5.7
382.12164	1.6
403.17596	20.1
417.15561	8.3
427.12375	2.1
447.09818	1.5
449.20413	2.4
471.08859	1.5
493.17105	19.4
525.16138	67.2
526.16565	4.0
595.13684	50.4
595.27222	28.4
596.13770	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	595.239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.6
59.01381	13.6
60.22401	0.4
60.86652	0.4
60.99313	2.4
61.98838	2.2
67.01888	4.8
68.99815	2.3
69.03465	2.0
71.01393	5.1
72.46371	0.5
72.99284	0.5
73.02949	1.4
81.03468	1.7
83.01398	0.7
83.05035	1.5
85.02947	9.3
87.00871	7.2
89.02456	1.3
93.03460	37.1
95.01382	0.8
99.00896	1.2
99.04536	0.6
101.02450	4.4
109.02937	1.7
111.04528	4.4
113.02441	1.3
117.03478	0.7
118.03011	0.5
121.03001	0.8
123.04543	1.2
125.02446	1.2
127.04001	1.6
132.02191	1.4
133.02956	4.8
134.03740	5.2
135.04527	10.4
136.05301	0.8
137.02458	1.9
139.04030	0.5
145.02998	0.6
150.03258	0.7
151.00343	0.9
151.03992	0.9
155.03462	2.9
159.04504	0.6
160.01645	4.0
161.02478	3.1
161.04556	1.3
162.03099	0.6
171.02991	0.5
172.05321	1.1
173.04562	13.9
174.03276	2.8
177.01939	1.7
178.02652	1.2
179.03491	3.7
184.05292	0.7
187.04050	1.4
191.05615	100.0
192.05956	1.7
200.04755	0.7
205.03632	0.8
211.13399	2.1
214.79129	0.5
214.88321	0.5
215.05608	1.0
228.04210	0.9
237.05655	0.5
269.04544	6.1
270.05005	1.3
271.05243	0.6
281.15591	0.8
283.13507	1.1
285.03897	0.8
299.13226	0.8
299.16556	3.1
301.14331	0.7
307.08035	0.5
308.08804	0.8
309.14957	4.0
325.14468	1.3
326.66788	0.7
327.16003	8.9
329.13864	0.9
343.15350	1.2
345.16971	3.5
351.07150	3.6
352.07950	1.1
353.13794	2.5
371.14981	22.7
372.15317	0.8
377.20081	0.7
384.10489	2.3
385.10934	0.6
403.17572	0.7
431.09793	0.5
496.01260	0.6
535.32635	2.3
537.08875	0.5
551.20276	0.5
552.07843	0.5
563.21320	32.3
564.21667	2.0
577.23083	0.7
578.58240	0.5
595.14380	0.9
595.23883	18.1
595.33929	1.7
596.24237	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67407	0.5
53.00985	0.5
55.99610	0.5
57.03450	0.7
59.01377	4.1
60.99311	0.8
61.98825	4.8
67.01887	4.4
68.99818	1.3
69.03456	1.9
69.18196	1.9
71.01371	4.1
73.02924	0.8
81.03436	1.3
82.95402	0.5
83.05007	1.1
84.95106	1.8
85.00436	0.8
85.02955	9.5
87.00874	7.8
88.98827	0.7
93.03457	25.9
96.96060	0.7
99.00865	0.7
101.02438	2.3
108.02213	1.1
109.02940	2.4
111.04530	4.3
113.02441	1.1
121.02921	0.8
122.03712	1.1
123.04565	0.6
127.03995	2.5
133.02945	1.4
134.03725	2.4
135.04495	2.0
137.02493	1.1
145.70238	0.5
146.47682	0.6
155.03490	2.1
159.04503	1.5
161.02426	1.2
171.02905	0.7
172.05402	0.9
173.04558	8.9
173.06006	1.1
174.03294	0.7
174.06851	1.8
179.03487	1.3
187.03996	2.4
191.05606	100.0
192.05943	1.6
197.06033	1.6
198.06946	0.6
202.06543	0.5
205.12292	1.0
211.15158	0.6
226.46446	0.6
258.78967	0.5
268.03699	1.2
269.04486	2.4
279.59705	0.6
281.15585	0.6
285.03784	0.6
286.04297	0.7
299.16522	7.8
309.14981	4.1
317.17667	3.8
327.15997	5.1
343.15558	0.6
345.16971	2.4
353.13959	2.6
371.14987	15.1
372.15100	0.7
377.19769	2.0
379.11087	0.6
384.10648	1.6
385.16928	0.6
389.15771	0.7
401.12299	1.6
403.17435	2.0
433.28134	0.6
463.32187	0.5
524.91632	0.6
545.20227	1.2
563.21375	7.7
595.23883	51.4
596.24103	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	595.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21781	0.6
51.61159	0.5
52.41653	0.5
59.01377	74.1
60.82409	0.5
61.32967	0.5
61.98808	1.7
66.21152	0.6
68.99809	2.5
69.03457	1.9
69.72566	0.7
69.72890	1.2
71.01382	14.6
73.02955	2.9
78.15922	0.6
83.01399	0.8
85.02946	16.5
86.42874	0.5
87.00874	2.9
89.02441	18.7
93.03455	4.9
95.01368	1.2
96.95982	0.6
97.02941	0.6
98.22664	0.7
101.02447	12.2
109.02924	1.6
111.04501	1.3
113.02440	6.0
117.03458	0.7
119.03487	6.1
127.04017	3.4
131.03499	0.7
133.02974	2.7
135.04532	1.8
143.03500	1.7
149.04515	0.8
151.00380	0.7
159.04417	0.7
161.02444	8.8
161.04507	3.4
171.55087	0.6
172.05290	1.9
172.29063	0.6
173.04539	2.1
174.03217	1.0
177.01927	0.6
179.03386	1.3
179.05669	3.3
183.04552	0.8
187.03969	2.1
191.05612	100.0
192.05949	1.7
199.03947	3.5
200.04829	3.9
201.05560	0.6
202.06386	0.7
213.05653	1.8
224.04913	0.7
227.03508	2.6
228.04176	1.4
233.04562	0.7
242.05725	1.3
269.04639	3.7
270.04895	1.4
283.13364	2.2
284.03354	1.4
285.04034	6.9
286.04358	3.7
287.04599	1.2
299.12885	2.2
301.14529	0.7
309.14972	1.5
311.12857	5.7
317.13876	1.4
325.14310	1.0
327.15863	5.0
329.13937	5.3
330.13708	0.7
335.12854	0.9
343.59039	0.6
350.83139	0.5
353.13910	9.6
359.18692	5.8
371.14963	14.8
372.15424	0.8
385.16650	1.1
403.17603	49.1
404.17960	2.5
493.16998	0.9
505.20804	0.8
517.20905	2.8
525.16113	4.1
535.21802	0.7
549.29688	0.6
563.21130	2.5
594.63007	0.7
595.14343	0.7
595.27075	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	595.241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27135	1.0
57.03447	2.2
58.38742	1.1
59.01377	42.7
62.35478	1.0
68.99829	5.2
69.03457	4.0
69.12196	3.9
69.12605	1.6
71.01383	9.3
76.10694	1.1
82.82922	0.9
83.01423	1.2
85.02942	3.0
85.42342	1.1
89.02431	9.2
93.03459	3.2
95.01385	1.1
99.04519	6.4
101.02451	12.7
113.02455	3.6
117.03468	7.3
118.04272	1.4
119.03611	2.1
119.05029	44.8
121.02969	3.3
131.05090	1.2
133.02974	2.9
133.06596	14.6
137.02466	1.3
145.02953	39.1
145.04095	2.0
146.03323	1.9
147.04556	3.0
149.02434	1.4
151.00391	2.1
159.04486	1.8
161.02481	2.1
161.06078	28.1
163.04013	44.1
163.05380	2.2
164.04413	1.3
165.12846	3.9
177.05594	12.8
179.05626	1.2
187.04042	2.7
191.05612	6.8
200.04584	1.3
205.05035	30.6
207.13911	7.6
209.11835	22.8
225.15013	4.1
233.04463	1.7
235.06114	12.8
242.17059	1.3
251.12897	5.1
265.07175	32.2
269.13937	100.0
270.04675	1.2
270.14291	2.6
284.03394	3.7
285.04001	26.9
286.04315	15.7
287.04623	11.5
325.09241	13.3
403.17551	4.4
449.20322	22.9
493.17084	4.6
525.16193	16.8
535.21564	1.6
577.23230	1.8
595.13885	30.4
595.24011	78.9
596.14227	2.3
596.24268	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	595.239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08293	0.7
55.01879	1.1
57.03447	1.3
59.01377	100.0
61.98828	7.4
62.34328	0.7
65.00327	4.2
68.99805	1.0
69.03458	1.5
69.06757	1.9
69.07162	3.5
71.01379	12.1
73.02938	4.2
83.01407	3.1
85.02956	5.4
87.00906	1.4
89.02458	4.0
93.03461	3.9
95.01393	2.7
99.00895	1.1
99.04539	5.1
101.02441	10.9
106.04265	0.8
107.01376	6.0
109.02927	1.2
111.00794	0.8
113.02462	5.2
117.03464	5.6
118.04322	1.3
119.03609	1.9
119.05019	28.6
121.02992	2.8
123.04530	1.0
125.02483	2.8
131.05013	0.9
132.05818	0.9
133.02936	4.3
133.06601	9.1
134.03725	1.6
135.04523	19.3
135.05470	1.2
137.02457	1.4
145.02948	29.7
151.00366	26.5
155.03555	1.4
159.04561	1.0
161.02428	6.7
161.04608	3.6
161.06113	18.3
163.03996	28.7
165.12828	2.1
173.04594	2.4
175.00450	0.8
177.01981	1.2
177.05589	7.4
179.03568	1.6
179.05632	0.9
187.04063	1.8
189.12871	0.9
191.05624	5.2
204.22014	0.8
205.05064	18.0
207.13971	5.6
209.11826	15.6
209.13670	1.1
211.13441	1.7
225.15038	3.4
235.06134	10.8
251.05676	1.1
251.12938	3.0
261.04126	0.8
265.07181	22.4
265.09711	0.9
269.04562	9.1
269.13934	63.3
270.04892	4.2
270.14383	2.5
271.05701	1.3
275.09210	0.8
284.03354	0.9
285.04053	7.2
286.04547	2.5
287.05640	21.0
307.08282	3.2
325.09332	6.6
345.17056	1.5
371.14713	1.3
373.27411	7.1
433.28238	2.3
449.20346	12.7
505.17303	1.4
532.41052	0.7
535.32837	28.3
536.33789	1.2
552.32690	2.1
563.22211	1.0
595.14459	10.1
595.24292	54.6
595.33679	9.9
596.24060	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2791
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
51.66920	0.8
61.98820	4.2
71.01376	4.8
71.14124	0.9
73.02978	1.4
77.12680	1.0
78.98584	4.0
79.95747	7.2
80.96517	56.0
82.91777	0.9
85.00433	1.5
85.02961	2.1
87.00875	3.2
88.52274	0.9
94.98093	14.4
97.02944	2.2
101.02455	3.4
106.98098	2.7
122.97597	4.6
125.02403	5.5
126.94131	1.1
134.03751	1.6
134.97598	4.2
135.04594	1.3
140.82874	1.0
148.99124	5.5
151.00377	3.8
152.98622	5.8
157.61572	1.1
164.01126	2.0
164.04622	0.9
164.98622	10.8
169.71381	0.9
172.65752	0.9
182.99655	3.0
199.04056	1.2
201.02028	1.1
206.99655	3.6
215.94020	1.1
225.00739	18.5
243.01794	2.3
256.03741	1.4
258.05054	1.0
258.98740	1.0
284.03259	5.0
285.03894	5.9
286.04831	5.2
287.05609	1.3
295.22696	1.8
299.04544	2.6
395.67062	0.9
469.22183	1.6
595.27887	100.0
596.28534	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	595.2886
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
61.98817	1.8
70.52621	0.9
78.95902	71.8
85.19037	1.0
96.96951	15.4
152.99583	59.3
223.00082	2.7
240.07935	0.8
241.01170	30.5
250.17612	0.9
262.41019	1.0
279.23291	68.5
280.23602	2.2
300.08289	1.0
315.04874	8.7
415.22534	6.0
513.36017	2.5
514.36261	1.2
595.28839	100.0
596.29285	6.0
624.72394	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3336
Annotation	L 681512-2
Peak:m/z	Relative Intensity
55.01878	2.8
57.03436	2.0
59.01379	32.9
61.98829	17.6
65.00323	1.1
67.01868	0.9
68.99800	1.9
69.03444	1.6
71.01380	28.6
72.99304	1.7
73.02945	8.6
75.00871	0.7
83.01377	6.0
85.02953	15.3
87.00873	3.4
88.98794	0.4
89.02441	10.7
93.03458	3.8
95.01392	3.1
97.02935	1.7
97.88255	0.4
99.00877	2.7
101.02443	26.1
107.01381	1.0
109.02946	1.3
111.00883	3.2
111.04507	0.9
113.01694	0.8
113.02442	10.4
117.03449	0.5
119.03492	3.7
119.04980	0.8
123.04510	0.6
125.02441	1.4
127.03949	0.7
129.01912	1.5
132.02107	0.8
133.02980	2.7
134.03725	0.7
135.04521	4.5
137.02373	0.7
141.01932	0.6
143.03439	0.6
145.02892	0.9
147.02921	0.4
151.00368	2.8
155.03459	1.3
155.10739	0.5
159.02956	1.6
160.01665	1.7
161.02435	4.4
161.04543	3.2
161.05788	0.5
162.03140	0.6
163.52316	0.4
173.04533	2.1
174.03230	0.7
175.04048	0.5
177.01900	0.7
179.03473	2.1
179.05559	1.4
187.03964	0.7
191.05602	21.1
192.05997	0.8
200.04803	0.8
205.03528	0.7
207.25981	0.5
221.04593	0.5
268.03732	0.8
269.04541	3.9
270.04825	2.1
271.22873	0.7
285.04044	2.3
286.04181	0.9
287.05322	1.5
299.16702	0.6
301.14713	0.6
309.14731	0.7
323.07651	0.7
325.14273	1.7
327.15909	1.9
330.67932	0.5
343.15518	2.7
345.17050	0.9
353.13968	0.6
371.14914	5.3
372.15393	0.6
384.10480	1.3
385.11700	0.5
433.22144	0.9
433.28058	16.9
434.28311	0.6
525.15979	1.1
563.21295	1.6
568.66675	0.5
595.13635	2.8
595.24060	12.8
595.33252	100.0
596.24683	0.7
596.33545	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	596.162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.8
59.01379	18.8
60.01701	1.6
61.98828	100.0
63.48176	0.8
68.99815	2.5
69.03450	1.2
69.16801	4.6
71.01380	12.5
72.99313	1.0
73.02953	1.1
76.84380	0.7
78.11440	0.8
81.03439	1.3
83.01391	1.2
83.05013	1.5
85.02946	4.0
85.45349	0.8
87.00867	1.6
87.70643	1.0
88.98788	2.0
89.02459	8.7
90.02807	1.0
93.03456	2.1
96.96011	6.7
101.02447	9.3
107.56530	0.7
108.30112	0.8
109.02924	1.3
113.02441	4.2
116.92836	1.4
119.03567	3.8
119.04241	0.8
122.02470	2.1
122.60429	0.9
123.04492	0.8
128.90219	0.8
131.07149	1.2
133.02942	10.2
134.03725	2.3
135.04521	15.6
136.04829	1.0
137.02420	3.3
149.04613	1.2
149.05974	1.0
160.53821	0.9
161.02452	36.7
161.04509	1.7
162.02867	1.1
173.04465	1.0
176.04776	1.6
177.01944	1.2
177.05519	1.9
179.02014	1.2
179.03477	15.8
179.05562	3.2
180.03940	0.9
191.05623	15.7
191.07285	1.6
192.05885	1.9
194.05865	5.4
203.03496	1.2
209.08151	3.8
221.04451	1.6
240.01927	0.8
241.05121	1.0
243.17236	1.6
271.09793	1.8
272.10052	1.3
285.04068	1.3
323.07718	17.4
353.08667	2.0
354.08932	1.0
382.95718	1.1
385.13138	0.8
390.05838	0.8
526.16602	1.0
533.16644	35.9
533.24713	2.0
534.16840	1.9
535.26605	1.0
595.29553	2.6
596.21619	4.3
596.29907	3.2
596.38873	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	597.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07035	0.9
50.19006	0.9
59.01381	11.0
64.91209	1.1
70.69682	1.3
71.01384	9.6
71.26886	1.6
72.88364	1.0
73.02934	3.7
83.01385	2.4
85.02968	2.6
87.00488	0.9
87.00883	10.6
88.09134	1.0
89.02422	6.7
91.20611	1.0
93.03458	3.3
94.29794	0.9
97.02955	1.4
99.00871	4.9
100.01656	3.1
101.02438	4.1
111.00887	8.5
112.98849	3.1
119.03468	1.7
121.02943	3.3
122.03746	11.4
123.00865	4.5
131.03502	1.2
131.16196	1.3
133.02960	1.5
135.04541	1.4
136.01683	2.1
138.03238	1.1
142.99864	2.3
149.02444	16.2
150.03230	87.0
151.00412	1.7
151.03941	4.0
161.02409	4.7
163.04010	1.7
164.04794	7.5
165.05565	100.0
166.02730	3.6
166.05826	2.1
173.00899	4.2
174.01692	2.7
174.03073	1.1
175.04012	1.7
176.04785	2.1
177.05476	1.8
178.06375	1.8
179.03499	3.8
179.05695	1.9
179.07043	5.6
180.04262	8.5
181.05084	4.6
191.03563	2.5
191.05522	2.1
191.07120	2.0
193.08730	2.4
194.05814	4.3
194.96930	1.0
195.06624	43.0
203.03505	2.8
205.04985	1.8
206.05740	2.8
209.08136	3.1
219.02895	1.6
221.08153	3.3
234.05392	1.8
247.02461	3.3
247.05908	1.9
249.07655	2.7
261.04114	1.6
262.04764	4.8
264.06363	4.7
265.07169	4.0
276.06519	1.7
277.07181	8.5
294.07236	1.2
295.08313	1.9
312.09949	1.7
314.08688	1.2
322.07132	1.4
327.12320	6.3
337.09280	29.7
338.09747	1.7
375.14377	1.3
461.14505	19.9
473.14877	2.1
521.16498	2.0
533.16528	4.3
537.25616	7.0
579.17175	13.0
597.18231	86.8
598.18512	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	597.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16570	1.0
59.01377	7.8
69.03436	1.5
69.33839	4.6
70.48653	1.1
71.01380	7.6
72.00893	1.1
72.81876	1.1
72.99286	1.3
73.02940	3.7
79.95731	5.1
80.96497	3.0
83.01368	3.7
85.02940	3.7
87.00873	23.4
89.02446	6.0
93.03444	2.7
95.97614	10.3
97.02946	2.2
99.00858	4.2
100.01649	2.0
101.02435	4.6
111.00883	24.1
112.98827	1.8
113.02492	2.1
113.09431	1.0
118.06629	6.1
119.03449	1.3
121.02957	2.2
122.03729	9.8
122.61875	1.1
123.00833	1.2
125.02470	1.7
127.04053	1.1
129.01926	1.6
131.03519	2.2
133.02971	2.0
147.03004	2.7
147.04509	4.6
149.02438	15.3
149.04474	1.6
150.03224	62.3
151.03976	5.1
154.01457	1.7
161.02435	3.7
163.04062	1.3
164.04793	10.1
164.07123	14.5
165.05568	72.1
166.02728	1.6
169.21330	1.0
173.00877	1.5
176.04889	1.6
178.06357	1.8
179.03439	3.2
179.07043	7.3
180.04250	4.7
181.05067	5.0
190.02795	1.2
191.01933	1.7
191.03596	1.7
191.05560	3.4
191.07111	1.2
194.05797	4.9
195.06607	23.5
205.05144	1.6
205.07014	1.1
206.05756	1.8
207.06584	1.3
209.08147	6.9
219.02887	2.1
219.06558	1.5
221.08092	1.4
234.05162	1.7
244.02837	32.1
245.03101	7.7
249.04036	2.4
249.07608	5.6
264.06451	10.4
265.07294	6.4
279.08771	2.2
291.08698	1.4
293.12247	1.3
305.49384	1.2
321.09857	1.9
324.07898	1.1
337.09299	8.9
342.10880	1.3
413.12372	5.7
461.14557	42.5
462.15051	1.4
487.16333	2.2
505.17303	1.7
521.16577	3.5
537.25549	9.2
579.16937	8.9
597.18231	100.0
598.18433	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62961	0.7
59.01380	18.2
61.98814	0.6
65.44663	0.6
68.64278	0.6
68.99828	1.0
69.03455	25.9
69.41798	2.8
71.01376	8.6
85.02945	2.4
87.00875	4.2
87.85659	0.5
89.02441	8.4
92.23811	0.7
92.26087	0.7
95.01373	0.8
95.05022	10.1
96.95997	1.2
99.04525	5.0
101.02454	4.4
107.05031	5.6
109.06609	0.8
113.02448	15.0
119.03519	3.3
125.06080	2.5
128.53412	0.8
133.06514	0.8
149.04564	0.8
150.03238	1.4
151.07678	4.1
165.05536	1.6
169.08696	11.6
204.91956	0.7
213.07671	24.4
214.08003	1.1
237.30907	0.7
255.08748	2.1
305.79269	0.7
371.61505	0.8
375.12936	100.0
376.13467	3.8
417.14053	1.1
597.18719	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	597.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.8
57.03458	1.4
58.00587	1.4
59.01378	100.0
61.98828	2.8
69.38655	2.3
69.39059	4.8
71.01377	45.6
72.99279	1.2
73.02948	8.6
75.00896	1.4
75.95165	1.2
77.39811	1.1
83.01390	4.8
85.02948	17.2
87.00877	2.5
89.02444	47.2
95.01365	5.1
99.00890	2.0
101.02440	31.6
109.02976	1.6
113.02440	20.2
119.03509	14.1
121.02935	9.9
131.03522	2.1
135.04445	1.4
142.19511	1.2
143.03470	6.2
149.04579	3.6
150.03229	1.8
154.39343	1.4
161.02437	3.1
161.04596	9.7
165.01942	2.1
174.56178	1.4
179.05609	25.0
191.05621	3.1
209.04582	7.6
209.06236	1.4
225.07700	1.6
251.07088	1.5
281.08231	1.4
297.11343	3.6
312.10010	2.3
327.12280	9.6
357.13428	4.1
375.23889	2.3
537.29266	90.3
538.29364	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	597.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	2.3
59.01379	100.0
60.07317	2.2
61.98832	3.2
71.01381	51.9
72.99306	1.8
73.02939	4.8
83.01378	3.9
85.02961	8.1
87.00871	11.9
89.02446	71.6
93.03466	2.3
95.01394	6.8
96.96024	2.7
99.00856	3.8
101.02442	27.6
105.11874	1.9
109.02959	2.7
111.00874	7.1
112.98770	2.6
113.02447	20.5
119.03504	27.7
121.02984	2.9
122.03736	7.9
123.00936	2.8
123.04559	2.3
131.03508	2.2
135.04500	2.3
136.01646	4.4
143.03513	6.7
149.02461	10.5
149.04536	6.2
150.03238	42.1
151.03983	6.4
155.03465	2.3
161.02444	5.5
161.04555	8.1
164.04768	8.1
165.05565	52.7
173.00865	2.3
179.03586	2.4
179.03940	3.2
179.05629	36.3
179.07097	4.5
180.04289	3.2
181.05009	3.7
191.05629	5.1
191.07225	2.8
195.06616	26.9
209.08122	2.9
225.24152	2.6
241.05035	4.3
256.07541	2.5
262.04935	4.2
264.06393	2.4
265.07224	3.8
267.06860	2.4
271.09741	7.0
276.06635	2.3
277.07193	4.9
281.08133	4.4
282.08859	2.6
297.11368	4.8
312.09879	4.7
319.11856	4.0
327.12448	29.3
337.09390	12.9
339.08795	1.9
357.13385	6.3
375.14429	5.8
461.14502	14.1
537.25470	9.6
579.17468	4.6
597.18317	46.2
598.18707	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	597.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.8
57.03458	1.4
58.00587	1.4
59.01378	100.0
61.98828	2.8
69.38655	2.3
69.39059	4.8
71.01377	45.6
72.99279	1.2
73.02948	8.6
75.00896	1.4
75.95165	1.2
77.39811	1.1
83.01390	4.8
85.02948	17.2
87.00877	2.5
89.02444	47.2
95.01365	5.1
99.00890	2.0
101.02440	31.6
109.02976	1.6
113.02440	20.2
119.03509	14.1
121.02935	9.9
131.03522	2.1
135.04445	1.4
142.19511	1.2
143.03470	6.2
149.04579	3.6
150.03229	1.8
154.39343	1.4
161.02437	3.1
161.04596	9.7
165.01942	2.1
174.56178	1.4
179.05609	25.0
191.05621	3.1
209.04582	7.6
209.06236	1.4
225.07700	1.6
251.07088	1.5
281.08231	1.4
297.11343	3.6
312.10010	2.3
327.12280	9.6
357.13428	4.1
375.23889	2.3
537.29266	90.3
538.29364	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	597.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
55.92127	0.9
57.03448	2.1
58.00590	1.0
59.01379	100.0
61.98819	1.4
69.03453	1.1
71.01383	61.9
72.99305	1.8
73.02947	5.5
75.00863	1.2
75.02486	0.8
79.11141	0.8
83.01382	2.1
85.02943	9.7
87.00877	4.4
89.02445	81.9
90.02789	1.6
93.03471	1.8
95.01384	5.1
97.02941	0.9
99.00893	2.2
101.02448	33.0
102.02811	1.2
103.75519	0.8
105.29279	0.9
113.02455	23.4
119.03506	27.6
121.02946	10.5
123.54076	1.0
125.02424	1.5
131.03487	3.8
133.02930	2.2
135.04521	2.5
137.02498	1.0
143.03487	5.2
149.02464	6.1
149.04526	4.3
151.00400	1.9
151.04034	5.5
161.02458	22.4
161.04509	6.5
161.05772	1.1
165.01932	2.1
165.05591	1.4
173.04498	0.9
175.35553	0.9
176.04791	9.9
177.01924	27.2
178.02321	1.1
179.03496	33.5
179.05589	12.3
179.06953	1.4
180.04085	1.2
189.05623	1.6
191.05571	5.1
191.07159	4.0
192.04297	22.7
194.05833	30.9
195.06569	2.5
207.05188	0.5
207.06625	20.6
209.04709	7.8
209.08176	46.9
210.08568	1.3
225.07681	5.2
230.32948	0.9
287.05307	1.0
289.05975	0.9
292.94385	1.0
320.04999	1.0
364.64896	0.9
367.56970	0.9
387.12936	2.0
387.58737	0.9
417.21259	1.9
461.68057	0.9
479.21390	4.8
480.21808	2.0
481.22049	3.6
537.25061	6.6
537.93890	0.9
593.58002	1.2
597.23859	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	597.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65547	0.5
57.03441	1.6
58.00610	0.6
59.01377	29.4
60.01701	1.6
61.98831	12.1
63.46873	0.6
66.75362	0.5
68.99812	1.6
69.03455	1.9
69.14834	1.3
69.15247	2.7
71.01373	5.2
72.99287	0.6
73.02943	10.0
75.00862	1.2
83.01376	8.7
83.05006	0.7
85.02952	4.5
87.00846	0.9
87.04493	1.7
89.02460	3.5
93.03466	1.5
95.01389	0.6
95.05009	0.7
96.96018	1.6
97.02956	0.9
99.00871	1.0
101.02437	7.6
102.02719	0.6
105.03448	1.6
109.02968	1.2
109.06559	1.2
113.02463	2.1
119.03460	1.5
122.81549	0.7
123.04512	1.0
125.02425	1.5
125.06095	0.8
133.02948	2.1
135.04510	2.2
137.02435	1.0
137.06024	0.8
137.09729	0.6
139.11292	9.1
143.03539	0.7
145.17073	0.5
151.00406	0.9
151.04012	6.8
151.11324	1.1
161.02443	28.5
162.03015	1.8
163.11308	1.4
165.09195	0.8
167.10815	1.1
169.12363	3.1
173.04510	0.6
175.11218	0.5
176.04774	17.6
179.03497	49.9
179.10751	3.2
180.04198	2.6
181.12318	4.0
183.10251	16.1
191.05597	11.9
191.07166	5.8
192.05952	4.8
193.06096	3.3
194.05830	50.5
195.06601	6.1
197.11859	1.5
199.13403	1.4
200.04607	0.6
208.24553	0.8
209.08185	100.0
210.08499	1.9
225.11299	19.3
231.10320	0.9
239.12968	0.7
243.12355	16.5
249.11380	2.7
264.90146	0.6
267.12262	3.3
269.04596	1.6
279.12451	0.8
285.03952	1.8
285.13586	3.2
291.12360	3.6
309.13388	1.7
327.14447	5.8
371.14609	0.8
372.15396	0.7
373.15570	1.5
381.09775	1.0
383.79980	0.6
387.16583	17.0
391.11908	0.7
403.17630	1.9
404.17911	2.6
405.18314	4.0
449.27573	0.9
527.16864	1.1
543.15173	1.0
561.17615	0.7
561.28961	0.9
565.21771	1.3
597.11902	0.7
597.14624	0.7
597.25531	14.6
597.34094	1.0
598.26654	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.0
59.01379	38.6
61.98803	1.7
69.03441	1.2
69.09312	7.3
69.09612	2.1
69.99816	1.1
71.01380	27.2
71.68474	1.0
73.02946	10.3
85.02956	4.5
87.00874	5.5
89.02449	42.9
95.91533	1.0
97.02979	1.5
97.15741	1.2
99.00882	15.1
101.02457	14.6
111.00869	3.9
113.02468	3.9
119.03479	2.5
121.02973	1.2
122.03719	2.2
123.00811	1.2
125.02442	2.6
131.03510	6.8
135.08220	1.1
142.99876	1.4
146.13699	1.1
149.02487	5.3
149.04555	16.4
149.07635	1.1
149.09689	8.6
150.03229	24.5
153.09207	3.2
156.54408	1.1
161.04626	1.4
163.04018	1.8
164.04802	3.4
165.05551	22.2
167.10760	11.9
173.00949	1.4
176.04846	1.3
179.07144	2.6
180.04213	1.5
181.05042	2.0
191.04082	1.3
191.05609	6.5
194.05846	1.5
195.06612	7.6
206.05818	1.4
209.08191	2.2
233.06612	1.4
236.04506	1.2
249.07545	1.6
262.04846	1.7
277.07141	2.7
293.08853	3.5
337.09335	8.0
358.78549	1.2
369.13458	2.1
443.12778	1.5
461.14584	7.2
533.16632	1.6
537.25568	100.0
538.25940	6.4
579.17126	4.5
597.18262	24.7
598.18616	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	597.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62045	0.4
59.01373	5.0
60.21235	0.5
60.99310	15.9
61.98832	3.2
67.36183	0.5
68.99818	0.9
69.03455	0.9
71.01399	2.5
72.99319	1.3
73.17781	0.5
83.62645	0.5
85.02965	1.1
87.00884	1.7
88.00379	0.5
88.98808	100.0
89.02446	26.0
89.03008	0.7
89.03274	0.6
89.99130	0.8
93.03452	0.5
94.98083	1.2
96.96004	2.1
101.02468	2.5
102.65088	0.5
113.02441	1.2
119.03528	0.8
122.02448	0.6
133.02936	0.6
135.04480	1.0
141.79205	0.5
145.06593	0.5
151.00403	1.7
161.02394	1.6
167.03513	0.7
173.06044	0.5
179.03474	0.7
185.94896	0.6
191.05661	2.7
239.07123	1.6
249.07651	1.1
283.09775	1.1
311.17126	0.5
391.08569	0.6
435.10825	1.8
483.31610	0.6
507.28003	1.2
525.16516	1.6
528.44232	0.7
537.08905	0.5
537.33777	0.5
552.61688	0.6
597.16333	0.7
597.31567	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	597.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.6
59.01379	4.9
60.99305	14.5
61.98825	6.1
68.99836	0.6
69.03454	1.2
69.37157	2.1
71.01022	0.4
71.01372	3.2
73.02950	1.2
74.71586	0.4
75.00868	3.8
82.95399	0.5
83.01358	0.6
85.02956	1.9
86.01430	0.4
87.00856	1.4
88.11640	0.5
88.98806	100.0
89.02444	15.6
89.02996	0.8
89.99134	0.5
92.97483	1.6
93.03467	1.2
96.96001	1.4
98.21915	0.8
99.92576	0.6
101.02446	2.4
107.01397	0.6
107.05008	0.4
113.02460	1.3
119.03467	0.4
119.04990	0.6
121.02928	0.5
125.02447	0.7
133.02966	1.2
134.03673	0.5
135.04538	3.1
137.02469	0.4
149.02414	0.5
149.04515	0.5
149.06081	0.8
150.03151	0.4
151.00372	4.3
151.03955	0.6
158.93401	0.4
161.02464	4.0
161.06007	0.4
173.04518	2.1
179.03511	3.0
191.05603	3.2
203.69673	0.4
209.04597	0.4
215.95222	0.5
218.40636	0.4
236.51849	0.6
239.07147	5.2
283.09775	2.5
285.03995	1.6
330.69650	0.5
333.48694	0.5
353.08658	1.7
391.08072	0.8
435.10754	4.3
507.28433	0.9
530.51880	0.6
537.09253	0.6
537.25488	0.6
537.32855	2.2
579.02246	1.1
597.14960	0.8
597.22443	0.6
597.33960	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	597.3047
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
58.34713	1.6
59.01356	2.6
61.98825	2.3
62.23930	1.6
69.62315	3.0
69.62663	3.8
73.92725	1.3
78.95902	67.7
92.92746	3.9
96.96962	12.6
97.52007	1.5
101.51212	1.3
152.99591	96.4
171.00549	3.0
223.00182	10.5
241.01176	24.5
245.04359	1.5
249.18504	3.4
281.24866	75.6
285.88092	1.6
315.04910	13.7
386.67307	1.8
450.39792	1.6
597.30090	100.0
598.30322	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82053	0.9
59.01377	5.8
61.98825	2.7
64.97018	1.4
70.50266	1.3
71.01379	3.7
72.00901	3.7
73.02964	1.6
78.42962	0.9
79.95721	11.4
80.96529	8.4
89.02430	5.4
90.02809	1.0
95.97616	31.0
99.00887	1.8
101.02453	1.9
110.08452	0.9
118.05852	1.0
118.06657	14.9
137.43153	0.9
140.74017	1.0
147.04529	15.8
148.03998	1.1
149.04562	3.2
150.03180	2.2
162.15114	0.9
164.07169	46.6
165.01938	1.4
165.05551	2.2
165.07582	1.1
166.05072	2.1
191.05701	1.1
195.06544	1.5
195.64799	1.0
198.02283	1.4
226.01825	2.7
244.02850	100.0
245.03149	2.2
354.07996	1.2
389.00812	1.0
421.28458	1.1
513.29736	1.2
537.25305	3.6
538.25995	7.1
598.18408	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	598.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06445	1.4
64.89720	1.3
64.97044	1.7
69.45422	5.4
71.84188	1.3
72.00905	2.9
79.38750	1.4
79.95726	12.9
80.96510	5.0
81.39254	1.6
95.97611	26.8
100.30154	1.2
118.06620	13.7
140.14798	1.3
147.04520	14.9
164.07153	43.0
218.58479	1.3
226.01756	1.6
244.02835	100.0
245.03127	3.5
597.06946	1.3
602.94293	1.4
613.56024	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	599.235
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00574	1.5
59.01377	100.0
61.98830	27.0
69.03468	1.5
69.46146	5.9
71.01377	51.4
72.99317	1.5
73.02952	2.0
76.92685	1.2
77.99355	1.2
83.01379	2.4
84.32054	1.6
85.02942	7.3
87.00869	4.2
88.98801	7.2
89.02442	68.8
95.01379	4.6
97.02911	2.4
98.21878	2.8
101.02444	25.6
113.02451	21.9
114.32230	1.3
119.03501	25.0
121.02936	2.8
123.04507	2.0
131.03487	1.8
135.04385	2.1
143.03464	4.3
149.02428	2.4
149.04565	2.6
150.03224	2.6
161.02432	4.3
161.04581	7.5
162.03238	7.4
162.04442	1.3
165.05556	4.6
166.06323	3.6
177.05557	6.4
179.03401	1.7
179.03958	2.3
179.05611	32.5
180.04105	1.4
181.08673	1.3
191.05634	2.6
194.36928	1.2
197.08499	1.5
268.41940	1.3
359.15228	1.5
528.52576	1.5
539.29260	3.9
586.71759	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	599.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.3
61.98835	1.7
67.01881	0.2
68.59337	0.2
68.99806	0.5
69.03448	0.5
69.21188	0.2
69.72633	0.4
69.72991	0.5
71.01378	1.6
73.02969	0.2
77.76591	0.2
79.72804	0.2
82.95407	0.4
83.01362	0.3
85.02927	0.3
89.02456	1.3
93.03449	0.2
93.85143	0.2
95.01360	0.3
97.06596	0.2
101.02449	1.8
105.95356	0.2
107.51541	0.2
111.18513	0.3
113.02437	0.4
119.03486	0.2
133.02991	0.3
135.04504	0.6
140.45967	0.2
147.04501	0.2
155.03502	0.4
161.02444	0.5
161.04605	0.3
167.10927	0.2
167.14366	0.5
173.04491	0.2
183.12325	0.5
183.13911	5.6
191.05603	0.5
193.12311	1.8
211.13396	100.0
212.13757	2.6
237.14922	0.3
245.15320	0.3
268.03769	0.3
269.04642	0.4
273.14761	0.3
285.04059	0.8
286.04681	0.6
301.72043	0.2
317.17334	0.3
349.16666	0.3
369.03278	0.2
383.11206	1.1
401.12378	1.0
438.47290	0.2
467.30496	0.4
581.25934	1.6
599.34991	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
71.46020	4.0
76.25695	3.0
79.01468	2.8
83.05061	4.8
97.06580	4.5
107.05038	7.6
121.34264	3.2
125.06115	3.2
125.09718	9.8
135.08195	5.6
140.33244	3.6
153.09212	9.3
163.11266	6.1
178.09947	3.4
185.11827	13.3
189.66354	3.2
191.10878	4.0
197.11888	8.9
207.10237	6.5
209.11821	100.0
225.11386	6.1
247.10428	3.3
247.37141	3.6
261.18542	5.4
278.81302	3.2
282.72369	4.1
287.16565	9.9
293.21207	9.5
305.17569	90.4
323.18658	45.9
343.44763	4.2
383.26117	4.0
485.32498	3.8
563.36920	4.4
581.38708	30.7
599.39392	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.5
60.68306	2.7
66.34972	3.6
71.04996	3.6
74.43009	2.6
78.69977	2.7
111.04528	3.1
111.08161	3.7
116.92839	5.9
120.60155	3.1
123.08165	2.9
123.92534	3.8
149.82938	2.7
163.11139	2.8
181.12314	4.1
205.02010	3.1
229.52231	3.4
289.18100	45.0
291.19595	28.9
307.19141	9.5
309.20703	100.0
310.21109	4.6
377.80197	3.1
455.19345	3.0
563.36810	4.8
581.38300	4.0
599.30542	4.2
599.39789	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	599.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.7
60.18818	1.9
61.98830	100.0
66.02947	2.0
69.60775	6.9
77.66817	1.8
78.95881	2.1
80.59909	1.9
81.03466	2.6
82.95412	2.8
83.01405	3.9
97.06601	3.2
99.04167	1.8
123.04527	3.9
123.08132	2.3
125.09698	10.3
137.09802	3.1
159.60649	2.0
163.11296	6.4
165.12807	5.1
173.31511	2.0
185.11842	5.0
191.10887	2.2
191.14409	9.4
207.10193	3.2
209.11819	33.9
225.11293	2.4
235.16850	1.9
245.19086	10.5
263.74402	1.9
268.75684	1.9
285.03763	2.0
289.18106	54.5
290.18430	3.2
291.19635	18.4
307.19131	50.4
308.19446	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	600.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.5
61.98830	100.0
65.37642	0.2
70.52888	0.2
70.53204	0.2
71.01375	0.3
85.88341	0.2
86.16273	0.2
89.02456	0.3
91.76122	0.2
93.03477	0.3
101.02468	0.3
111.85686	0.2
117.10461	0.2
125.02462	0.3
128.14099	0.2
134.03741	0.2
137.02443	1.5
151.00410	0.2
161.02493	0.3
191.05664	0.3
269.04663	0.6
284.03348	0.3
285.04178	0.8
286.04684	0.3
286.49899	0.2
293.08878	0.2
301.07269	0.4
308.96411	0.2
384.11807	0.2
402.13028	0.4
447.81653	0.2
515.40912	0.2
537.16748	0.3
573.27209	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90556	0.2
59.01377	0.5
61.98831	100.0
65.00298	0.3
69.23929	1.1
71.01389	0.4
83.37380	0.2
85.02961	0.3
88.98831	0.3
89.02441	0.4
89.94280	0.2
91.01897	0.7
93.03477	0.4
98.21780	0.4
101.02466	0.3
108.02193	0.9
109.02974	0.5
134.85614	0.2
135.00908	0.9
151.00378	0.3
152.01201	1.0
155.03593	0.2
191.05588	0.6
191.71191	0.2
211.13394	0.4
243.06624	7.9
269.04602	0.8
275.39331	0.3
285.04153	0.9
285.32700	0.3
537.16144	4.0
614.08582	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
61.98831	100.0
62.08364	0.1
62.98538	0.1
62.98901	0.1
64.40623	0.1
69.12962	0.3
69.13371	0.5
70.60359	0.1
71.01440	0.2
79.00524	0.1
133.03023	0.2
135.04524	0.2
161.02425	0.2
183.10361	0.2
189.00601	0.1
191.05679	0.2
201.84584	0.2
269.04462	0.7
305.47830	0.1
431.11609	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45047	0.2
59.01367	1.2
61.98830	100.0
66.98218	0.3
69.03471	0.4
71.01392	0.9
71.43903	0.3
73.02948	0.3
82.56239	0.3
89.02454	0.5
93.03476	0.6
96.96025	0.6
101.02448	0.6
107.01394	0.4
117.03523	0.4
133.02954	0.5
134.03857	0.2
135.04489	0.6
139.48607	0.3
149.02502	0.4
150.03288	0.3
151.00414	0.4
151.03758	0.3
153.01918	0.4
161.02509	0.8
191.05634	1.5
192.33412	0.3
195.06430	0.3
225.05612	0.3
241.27309	0.3
269.04501	6.6
270.04874	0.6
284.03406	0.4
285.04001	1.5
360.28406	0.3
431.10840	0.6
562.27313	0.3
599.30499	0.3
600.26648	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15919	0.2
59.01379	1.4
61.98830	100.0
71.01387	0.7
73.02945	0.3
85.02996	0.3
89.02467	0.6
96.96023	0.7
101.02460	0.6
110.88116	0.2
113.02461	0.3
115.51227	0.2
122.02513	0.4
149.04543	0.3
150.03221	0.3
221.07111	0.2
539.26227	0.5
540.26318	1.9
600.19727	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06525	0.2
54.05135	0.3
59.01379	3.9
60.01697	0.4
61.98829	100.0
67.01877	0.3
71.01390	1.9
74.22144	0.3
74.88758	0.2
85.02953	0.6
88.98816	1.1
89.02435	2.4
96.95978	0.3
101.02457	1.2
102.02774	0.3
109.84949	0.3
113.02480	0.8
116.92812	0.3
119.03518	0.5
133.02931	0.4
135.04616	0.3
143.03506	0.3
143.72678	0.3
161.02464	1.8
161.04639	0.3
162.83089	0.3
165.05602	0.4
179.03587	0.3
179.05653	0.8
191.05623	0.6
264.50842	0.3
276.08746	0.3
323.07672	0.3
537.15912	0.4
539.30054	0.4
540.29901	1.6
581.39282	0.3
600.18445	0.3
601.20935	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.8
67.01886	0.7
69.03450	12.9
69.83985	0.6
71.01398	1.3
79.24626	0.6
82.63158	0.6
83.05016	0.7
89.02449	2.4
92.05096	0.6
93.03454	1.2
95.05045	2.0
97.02946	100.0
98.03275	0.7
100.78426	0.6
101.02460	1.9
105.03453	2.9
110.07687	0.6
121.02905	1.6
123.04523	17.7
125.02441	0.9
127.04065	0.8
133.02972	2.0
135.04543	2.0
136.36696	0.6
149.02380	1.2
149.06100	2.0
150.03206	4.0
153.01932	2.3
161.02423	6.4
161.04549	0.8
165.05547	8.1
165.06842	0.9
167.07129	14.5
168.04297	0.7
173.04497	0.7
179.03513	2.1
191.05649	1.0
195.06625	1.4
213.07651	0.7
243.08760	5.2
245.46790	0.7
317.10220	3.2
439.12430	2.5
519.22845	0.7
553.19543	1.2
566.20929	0.8
601.20374	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	601.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17261	2.3
59.01382	53.5
61.98837	20.4
64.55253	2.4
68.99808	7.2
71.01387	37.2
71.47362	2.5
73.02938	4.6
83.01379	2.9
85.02973	12.6
87.00896	3.8
88.98804	2.8
89.02446	36.2
96.96011	100.0
99.00898	3.4
101.02440	21.4
105.37469	2.6
107.05096	3.9
113.02448	13.6
119.03498	11.0
124.03251	2.6
131.03540	3.1
136.99159	3.6
139.49245	2.6
143.03488	3.9
150.03262	10.0
161.02483	3.9
161.04590	9.0
165.01935	13.0
165.05492	12.1
179.03484	5.9
179.05592	9.1
180.04298	10.0
191.05562	7.2
195.06633	40.7
217.82794	2.5
225.07693	4.1
231.05139	3.1
247.11838	4.5
319.01334	2.9
357.11893	3.3
379.15845	4.8
391.14008	4.0
475.14999	7.8
541.14294	2.4
541.21399	69.0
553.19171	4.3
601.21027	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	601.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29177	1.0
57.03436	1.9
58.89643	1.1
59.01378	37.4
69.03454	15.5
71.01374	7.1
73.02928	2.9
76.41186	1.1
83.01384	1.2
85.02969	1.9
89.02442	7.4
93.03413	2.8
95.05000	5.8
96.95999	1.7
97.02896	1.2
98.22035	1.3
101.02444	6.7
107.01359	1.5
109.02975	1.2
113.02415	3.4
119.03487	2.8
121.02950	4.5
127.11232	2.9
133.02951	3.2
135.04495	4.4
137.02437	1.3
137.09689	1.4
139.11290	26.6
145.06505	1.2
147.08118	3.6
149.06044	1.5
151.00333	4.4
155.10699	1.4
157.12314	10.0
161.02446	2.8
165.09146	3.6
173.04541	1.7
173.05963	1.4
177.01921	1.4
179.03410	1.6
179.05661	1.5
181.12343	11.7
183.10258	33.3
191.05568	3.9
191.07173	2.7
199.03854	1.3
199.13382	9.1
203.12875	46.8
225.05540	1.3
225.11317	9.3
243.12355	100.0
244.12642	2.6
269.04541	13.9
270.04779	3.3
284.03180	4.6
285.04025	49.4
286.04514	5.2
286.98331	1.1
287.05557	1.6
299.05472	1.4
315.05035	2.4
369.15634	2.2
371.13470	9.3
373.11185	3.1
377.19647	1.3
395.20639	2.6
397.11093	2.6
401.12317	1.2
415.12415	5.5
444.12601	1.4
549.59973	1.1
601.15485	15.8
601.24847	90.4
602.16235	2.0
602.25153	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	601.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.6
57.03447	1.8
58.02666	0.5
59.01379	16.9
60.94901	0.6
69.03457	0.8
69.60777	2.4
71.01376	2.1
72.99293	0.6
73.02943	9.3
77.38325	0.6
82.95418	2.1
83.01385	8.2
85.02959	1.0
87.04512	2.3
89.02464	0.7
89.14501	0.6
93.03458	2.1
95.97538	0.7
96.96011	2.4
97.02955	1.0
98.21920	1.4
101.02451	3.7
108.02148	0.7
121.02966	2.1
122.03732	8.4
123.04541	1.4
133.02983	1.4
135.04503	1.1
136.01633	0.8
139.07655	1.0
139.11284	8.6
149.02425	0.7
150.03221	63.2
151.04008	4.3
151.11310	0.7
161.02435	1.4
165.05562	100.0
166.05882	2.9
167.10802	1.1
169.12341	2.4
179.03587	0.8
179.10771	2.8
180.04207	0.9
181.12317	3.4
182.17740	0.6
183.10258	12.7
191.05667	0.8
195.06613	0.9
197.11813	2.3
199.13367	1.4
213.07666	3.6
225.11339	13.0
243.12357	10.5
249.11313	1.5
267.12265	1.3
285.13342	1.5
291.12320	1.8
309.13373	1.2
327.14703	3.2
387.16580	9.3
583.23651	1.3
601.25037	67.2
602.25787	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	601.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91896	2.1
59.01382	7.7
64.63538	1.5
69.03453	2.7
69.19287	10.4
71.01382	3.8
89.02449	4.3
93.95423	1.7
96.96005	3.4
97.02982	1.8
101.02470	3.8
107.01389	2.3
109.02964	7.4
109.14625	1.6
113.02419	2.7
117.03471	4.7
121.02975	11.3
122.03784	3.1
123.04508	2.3
125.02454	2.0
129.03401	1.6
133.02948	5.5
134.03734	3.8
135.04521	6.1
136.05302	4.8
137.02432	2.7
146.03748	6.9
147.04541	24.0
148.05322	7.0
149.02460	3.1
150.03212	7.6
151.00342	4.7
151.03963	3.5
159.04515	8.6
160.05315	11.9
161.02412	12.2
161.06111	9.3
162.03244	2.9
163.04008	3.1
164.04845	3.0
165.05566	3.7
173.04465	2.1
175.07677	13.3
177.05556	4.4
178.06354	7.4
179.03522	3.3
191.05624	5.3
191.07323	1.8
192.07883	3.6
193.05075	2.8
193.08823	2.1
195.06682	2.7
209.11787	15.7
211.09721	2.0
227.07127	4.5
227.12877	5.7
241.05031	2.7
257.08212	2.0
268.07278	3.3
269.04547	28.6
269.07684	3.4
270.04892	10.2
283.09836	10.1
284.03226	7.6
284.10468	19.7
285.03931	17.3
299.05658	5.3
299.12802	7.2
300.05731	2.6
313.11176	2.1
329.13919	70.3
373.12930	100.0
374.13330	4.2
375.14349	3.2
504.15027	1.8
629.79944	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	601.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59618	0.6
55.26080	0.6
56.82966	0.7
57.03439	1.5
59.01368	2.5
62.83609	0.7
81.03470	1.2
82.16348	0.6
83.05020	1.3
85.73685	0.7
93.03410	0.9
94.92556	0.8
95.05026	1.6
97.02936	2.5
97.06605	2.1
106.04225	0.7
109.06550	1.2
119.08791	0.8
123.04509	2.3
123.08125	1.0
125.09743	5.8
135.08118	3.5
137.09702	3.4
137.48630	0.6
141.05583	3.0
141.09222	0.8
141.12808	0.9
149.06006	0.7
153.09195	7.9
163.11273	5.1
165.12799	1.5
167.10814	0.8
171.10277	10.4
177.12834	1.3
179.10716	1.2
179.14500	0.7
181.12418	1.1
183.13864	0.9
185.11842	6.3
187.09773	0.8
191.14407	6.1
195.13907	3.4
196.14685	0.8
197.11913	1.6
205.12390	0.6
207.10234	2.7
209.11765	5.3
211.13451	1.3
217.15927	1.1
223.13330	3.2
225.11296	2.5
239.54305	0.6
245.19066	15.0
246.19405	0.6
256.13000	0.7
263.20044	1.2
271.16956	1.5
275.20203	1.9
287.16428	0.8
289.18076	75.7
290.18469	2.8
293.21210	51.8
294.21536	1.7
307.19135	100.0
308.19470	2.8
325.20178	27.3
411.29163	0.8
429.30212	1.1
539.40729	0.8
565.38904	3.6
583.39978	4.9
601.41302	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	601.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52784	1.1
55.13325	1.1
56.68261	1.2
59.01388	1.6
61.98802	1.6
64.84644	1.2
70.66007	1.6
76.65749	1.2
80.28967	1.5
80.51447	1.5
81.35178	1.3
83.78959	1.4
109.06612	1.4
111.08165	6.0
113.09706	1.4
120.92631	1.5
125.09743	2.1
129.85326	1.3
137.09740	1.2
153.12825	2.3
163.11177	2.1
171.10349	2.9
181.12360	3.9
185.11841	2.6
191.14365	1.7
197.11823	21.1
199.13348	1.8
209.11790	1.4
211.13402	2.6
245.18994	2.6
247.20656	3.4
261.80969	1.4
263.20227	1.5
273.18512	2.8
289.18024	12.0
291.16345	2.7
291.19653	34.3
293.21228	6.1
307.19229	14.3
309.20706	100.0
310.21103	3.6
325.20172	5.2
325.23987	1.5
583.39789	10.0
601.41064	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	603.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.5
61.98821	2.7
62.45124	0.7
68.99840	0.8
69.03478	1.0
69.19923	4.2
71.01379	4.9
72.99299	0.7
73.02970	1.1
76.16670	0.7
85.02968	1.6
88.98826	2.5
89.02457	4.1
93.03477	2.2
95.01404	0.6
96.96014	6.2
98.21852	1.2
101.02455	3.3
109.02943	1.6
113.02460	1.5
115.00347	0.7
117.03478	0.9
119.03557	1.3
121.02943	1.9
121.28928	0.7
122.03780	1.7
123.04515	1.1
132.02182	1.6
133.02965	33.0
134.03792	6.1
135.04529	19.0
137.01563	0.7
137.02472	4.2
145.02925	1.5
149.02434	1.6
149.06102	1.2
150.03242	8.8
155.03511	1.2
161.02444	100.0
162.02827	3.1
165.01941	2.3
165.05554	11.1
166.06255	1.4
169.54384	0.6
173.04575	2.0
173.05975	0.8
175.04024	1.1
177.05542	3.4
178.02721	1.3
179.03496	18.1
180.04222	2.9
181.04921	0.7
181.08806	0.8
191.05615	2.5
195.06619	10.7
196.06970	1.0
200.04797	0.8
215.07086	0.9
217.08626	1.6
221.04518	5.8
225.05627	1.4
225.07654	2.4
235.09361	0.7
243.06627	9.9
251.05588	3.2
261.07632	0.9
269.04623	3.0
270.04794	1.3
281.06671	6.5
284.03116	1.0
285.04025	11.8
286.04379	5.7
287.04614	2.4
341.08710	3.1
347.49701	0.7
359.14944	1.1
423.12915	2.8
441.13986	29.5
442.14294	1.1
443.13400	0.8
565.22803	1.5
567.29944	1.1
585.16205	20.6
595.13873	0.9
603.17072	30.7
604.17603	1.5
610.13110	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30321	3.4
59.01378	87.6
61.98823	15.5
65.02831	3.2
66.42426	2.9
67.01888	6.6
68.52909	3.1
68.99815	13.1
69.03454	29.7
70.69630	5.3
71.01382	51.5
72.99302	5.7
73.02959	3.7
82.95415	8.2
85.02971	9.8
87.00848	3.6
89.02448	61.5
93.03420	4.3
95.05032	24.5
99.00887	9.9
101.02443	40.7
108.02161	3.4
111.00891	15.8
113.02458	15.5
119.03490	24.2
119.04995	5.3
121.02957	100.0
123.04500	18.5
127.04027	11.8
134.03673	3.3
135.04512	5.8
137.06067	5.2
139.00407	18.1
143.03506	5.7
147.06625	4.9
161.02481	6.9
161.04541	8.4
163.04060	4.2
165.05588	19.9
179.05615	49.6
179.07152	11.6
181.05176	4.8
181.08644	5.6
191.03374	4.6
191.05608	5.7
211.28848	3.7
223.06108	43.3
371.09769	43.8
403.12479	44.5
603.20386	8.5
622.57947	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89109	1.4
59.01383	40.5
60.95539	1.3
60.99284	1.3
61.98798	1.3
67.01880	6.6
68.99794	1.6
69.03450	3.3
69.36394	6.1
71.01389	22.7
73.02940	2.8
73.61549	1.2
81.03428	2.8
82.95411	1.6
83.01382	1.8
83.04996	2.4
85.02951	8.3
87.00871	3.1
89.02442	24.0
93.03458	39.3
95.01368	1.7
97.02950	1.2
99.04519	3.1
101.02457	13.2
109.02934	2.9
111.00864	2.3
111.04520	7.5
113.02421	6.4
115.05205	1.5
115.12888	1.3
119.03507	8.2
119.04962	3.5
126.65815	1.2
127.04013	2.3
133.02969	3.3
135.04510	2.9
137.02419	7.5
143.03484	2.9
147.06644	1.6
149.04532	2.6
150.03223	2.2
155.03477	7.1
161.02510	7.7
161.04553	1.8
161.13345	10.8
163.04065	2.1
165.05553	3.7
173.04564	100.0
174.04790	2.3
179.03484	3.8
179.05638	6.6
191.05629	52.8
195.06544	2.8
205.12343	21.4
205.54190	1.2
249.11342	19.1
285.03952	1.6
323.07684	3.0
385.18552	4.5
423.16672	12.9
429.17651	31.1
430.18304	1.7
459.79575	1.3
487.12915	6.7
603.15131	2.2
603.22906	57.3
604.23035	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	36.8
59.76299	0.6
61.98812	2.5
68.08013	0.7
69.03471	1.0
69.79211	2.0
71.01010	1.3
71.01379	21.1
73.02950	11.5
82.95360	0.9
83.01383	1.1
85.02942	3.8
87.00865	1.0
89.02445	27.4
93.03455	1.1
95.01366	1.3
96.95992	1.1
99.00880	21.2
99.01525	1.1
101.02451	13.0
113.02457	4.1
119.03503	1.4
119.05033	1.5
125.02429	2.4
125.51891	0.7
131.03506	4.5
133.02962	1.3
135.04518	3.4
137.02448	1.3
147.06267	0.7
149.04539	7.2
151.00366	1.5
155.03490	1.3
161.02437	3.5
161.04543	1.4
173.04558	2.3
179.03470	1.3
182.02737	0.7
191.05630	6.6
257.27017	0.7
265.06927	0.8
284.03281	1.5
285.04132	3.3
287.05536	1.1
301.07028	1.1
409.12161	1.0
543.27740	1.5
553.61920	0.8
565.32269	1.5
585.20471	1.5
585.29218	3.0
603.30212	100.0
604.15009	2.2
604.30396	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	603.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75843	5.3
61.98834	9.2
70.22495	4.8
78.18720	4.8
83.05016	10.8
83.10973	6.1
88.02728	5.2
96.96020	5.5
123.20173	5.1
137.09695	18.3
155.10768	20.2
171.10281	34.8
245.34036	5.5
275.20117	24.7
291.19659	34.6
293.21042	32.5
309.20663	100.0
455.31317	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	603.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88828	9.6
59.01370	42.0
61.98814	29.4
71.01379	22.7
74.72939	9.0
85.52026	10.8
87.00883	18.0
88.98794	62.4
89.02446	86.4
92.92783	12.5
96.96004	72.4
101.02460	16.3
113.02427	13.7
119.03504	15.2
195.13863	12.7
209.11812	30.8
238.25854	10.6
240.68130	11.3
277.21765	33.9
278.22049	35.9
279.22293	29.6
291.19763	17.5
293.21222	100.0
309.20703	59.8
340.88434	9.5
341.11011	10.4
342.11545	10.6
398.60687	10.1
455.31696	18.6
518.72095	12.6
547.44885	11.9
573.23480	11.5
603.27441	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	603.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.5
59.01398	4.3
69.03432	2.1
69.68137	4.2
81.03469	2.3
83.05004	4.1
95.05003	3.4
97.06567	3.5
111.08169	2.3
112.05306	2.2
121.24083	2.1
123.04514	5.3
123.08141	3.4
125.06144	2.7
125.09717	7.9
127.11286	2.3
132.23068	1.8
135.08150	3.2
137.09724	3.7
141.05563	6.1
141.12886	2.6
145.62457	1.9
153.09203	7.2
153.12857	1.8
155.10760	10.5
163.11246	6.8
165.12866	9.6
168.71829	2.0
171.10274	21.1
177.12849	3.5
179.14449	2.7
181.12366	4.7
185.10368	2.0
185.11819	10.9
191.14423	7.5
193.16022	3.6
195.13931	13.9
197.11761	4.2
207.10255	4.5
209.11832	7.5
211.13318	3.0
223.13303	2.7
225.11383	4.6
245.19171	14.3
247.20572	11.4
271.17032	4.9
273.18665	3.8
277.21738	9.0
289.18103	65.9
290.18347	3.2
291.19629	62.5
292.20004	3.0
293.21216	45.8
295.22787	63.2
307.19135	94.7
308.19498	4.7
309.20694	100.0
310.21054	5.5
325.20197	23.5
327.21774	23.0
585.41425	7.7
603.42499	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01120	0.8
59.01379	13.5
59.46581	0.7
60.99291	1.9
67.01882	3.1
69.03458	1.6
69.11706	4.4
71.01389	8.5
73.02948	0.7
73.71014	0.7
78.95904	1.8
79.95728	2.4
81.03455	0.9
81.66315	0.8
83.05072	0.7
85.02958	3.6
87.00877	1.7
88.98814	3.2
89.02454	6.2
93.02866	1.0
93.03457	20.9
96.96012	100.0
99.00826	0.8
99.04520	7.6
101.02463	5.9
103.01512	1.2
105.03461	1.6
109.02966	1.2
111.00883	4.0
111.04501	4.0
113.02473	2.4
119.03509	1.6
125.02448	0.7
127.03977	1.4
133.02957	10.6
134.03731	0.7
135.04526	37.2
136.04825	1.1
137.02461	3.9
144.18535	0.7
149.06108	1.0
150.03143	0.7
153.01933	0.8
155.03516	4.8
161.02448	21.3
164.07240	1.2
173.04552	66.0
177.01990	2.2
179.03488	39.9
180.03955	1.1
189.12976	0.8
191.05614	31.3
203.03529	3.1
207.13898	9.3
218.04633	0.9
251.12881	16.2
299.05688	1.3
317.06714	2.0
323.07797	1.1
333.98727	0.8
341.09061	0.8
353.08777	46.6
354.09335	1.9
425.18033	5.1
431.19229	18.5
431.24683	1.0
443.11832	1.0
489.16000	0.8
503.12375	2.3
515.11920	21.5
516.12982	1.3
545.26166	1.0
556.04004	0.8
562.19940	1.3
605.25134	26.5
605.34119	1.5
607.96606	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99601	5.9
59.01380	21.9
60.97533	17.7
67.01895	2.0
68.99815	5.3
69.03464	7.3
69.49779	1.4
69.50142	2.2
71.01383	18.5
72.97528	1.3
73.01178	2.3
73.02932	1.4
74.99096	1.9
85.02935	2.6
89.02444	7.2
93.03459	4.2
95.05019	2.0
98.22554	1.5
101.00673	3.3
101.02449	17.0
102.98600	33.6
105.00181	2.4
107.05018	1.2
113.02452	3.8
114.98611	2.2
115.00369	21.7
119.03510	2.8
119.05035	1.2
121.02959	3.8
121.06584	1.7
125.00700	4.7
127.03938	2.2
143.05087	0.9
145.06580	1.7
146.75906	0.9
147.01198	1.4
147.04517	1.7
149.02431	1.1
151.02264	1.2
151.03973	2.7
153.00166	15.2
153.03754	1.7
153.05576	8.8
155.01746	1.2
161.02414	1.8
161.06033	2.0
167.01651	3.2
169.03294	2.0
171.04535	1.8
179.03487	2.0
180.99585	2.0
181.05040	1.4
185.02768	7.5
189.05571	3.9
191.05560	1.2
191.07172	1.4
199.04047	1.0
201.17506	0.9
202.32971	0.9
203.07253	1.1
205.03281	6.0
207.22554	1.0
223.04449	2.3
237.05920	1.4
259.30865	1.0
265.05591	2.1
283.06281	1.1
378.92783	1.1
385.09491	4.0
442.70737	1.2
445.11621	1.8
457.07935	2.1
457.13574	13.2
458.14142	1.2
489.10733	100.0
490.11255	5.1
605.11835	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	605.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50178	0.6
58.99604	13.9
59.01379	18.0
59.22185	0.7
60.97526	6.0
65.03966	2.1
67.01879	1.6
68.99815	7.4
69.03456	17.9
71.01376	16.6
73.02947	4.6
74.99098	3.9
79.63490	0.6
83.81608	0.6
85.00424	0.6
85.02934	1.7
87.00877	1.0
89.02451	8.2
89.29297	0.6
93.03456	10.1
93.13982	0.6
95.01382	0.7
95.05031	0.8
96.95987	1.3
99.00877	1.1
101.00687	1.3
101.02448	21.1
102.02854	0.7
102.98595	100.0
105.00169	1.2
113.02429	3.5
114.93403	2.5
115.00371	15.4
117.01910	3.5
119.01352	0.7
119.03521	3.1
121.02920	3.2
121.06586	1.2
123.92059	0.6
125.00668	0.8
127.04005	1.0
128.96535	0.9
135.04543	1.3
137.02446	2.1
146.97568	1.9
147.04509	0.9
149.02492	1.4
149.04686	0.7
151.04001	0.9
153.00174	1.5
153.05571	30.5
154.05959	0.9
155.01746	1.1
161.02428	2.8
161.04649	0.7
163.04050	1.0
167.01733	1.0
169.03300	1.2
171.04376	0.7
173.04581	0.9
173.06088	0.8
179.03339	0.8
179.05649	1.3
181.05103	3.1
183.05525	0.9
185.02756	1.3
191.05588	0.8
191.07166	0.9
193.05127	0.7
194.74704	0.6
195.06755	0.8
217.00233	0.7
223.04376	0.8
223.09872	1.3
225.04083	3.2
265.05396	1.0
283.06564	1.2
347.57584	0.7
364.21191	0.7
443.15521	1.3
445.11911	1.6
455.12625	0.7
457.13498	83.3
458.14050	3.2
459.17966	0.8
489.10660	8.7
489.16827	0.8
514.51874	0.8
533.13593	1.0
605.12213	1.6
605.21008	2.1
634.16064	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99600	13.7
59.01374	19.4
60.97532	8.4
62.59922	0.9
65.03967	2.1
67.01920	1.2
68.99825	6.2
69.03457	18.9
71.01379	18.1
73.02946	4.2
74.99089	4.1
85.02938	1.5
86.99110	1.0
87.00851	1.2
89.02435	9.7
93.03450	9.7
95.05037	1.5
96.96003	4.1
99.00904	1.2
101.00678	1.3
101.02431	18.5
102.98592	100.0
105.00176	1.7
109.03017	1.0
111.00877	1.8
113.01711	0.9
113.02428	4.8
115.00362	12.9
117.01926	5.1
119.03501	3.6
120.41386	0.9
121.02946	2.8
121.06588	1.2
124.00568	0.9
125.00642	1.1
127.04031	1.7
128.28676	0.9
133.02959	3.3
135.04533	3.0
137.02399	1.2
139.33328	0.9
142.01518	0.9
146.97557	2.7
149.02423	1.0
149.06079	1.1
151.04034	1.6
153.00125	2.0
153.05568	29.2
155.01686	1.1
161.02426	14.7
162.02670	1.0
165.05553	2.1
167.01759	1.5
179.03535	2.6
181.05029	3.6
185.02791	1.7
195.06586	2.4
220.20801	0.9
225.04036	2.4
254.47511	1.0
283.06573	2.0
367.78745	1.0
443.15594	7.8
445.11713	2.7
457.13507	76.7
458.13651	3.1
489.10660	6.9
501.15955	1.1
605.21106	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	605.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	8.1
58.42990	2.7
59.01376	10.7
69.64133	11.3
71.01378	13.9
73.02954	5.2
83.01393	5.6
85.02961	10.5
87.00873	10.0
88.83559	3.3
96.96008	21.1
97.02975	5.6
99.00890	31.1
101.02441	9.5
111.00871	13.8
112.98812	55.3
113.02460	4.4
118.83742	3.9
119.04978	4.4
123.00935	10.4
129.01942	6.4
135.04607	3.9
142.99873	22.7
145.01445	4.6
147.03017	7.1
153.05524	5.5
161.02310	5.1
161.04536	3.3
163.04008	11.1
173.00905	100.0
173.02328	6.7
174.01743	18.8
175.04019	7.5
176.04790	4.9
177.05591	19.9
178.06358	9.1
179.03378	4.0
179.07065	4.7
188.04785	3.8
189.05519	5.4
190.19940	3.4
191.01945	12.0
191.03537	6.6
191.05652	7.0
193.08751	5.8
203.03519	7.6
206.05836	7.4
219.03105	4.5
221.04486	7.1
247.02486	6.7
249.07787	4.7
253.18877	3.8
262.04858	13.0
265.07199	13.0
277.07184	32.2
311.07733	6.3
337.09250	32.0
383.09579	10.1
383.15500	4.9
427.12411	4.7
503.75433	3.7
515.14270	3.8
545.08301	10.1
545.21112	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24455	2.2
56.50583	2.2
59.01378	17.7
61.89232	2.4
61.98827	9.7
65.00319	4.1
69.65884	6.1
71.01388	12.2
73.02956	3.8
83.01396	3.0
87.00843	2.8
89.02443	15.8
89.25119	2.2
93.03455	2.5
99.00901	10.4
101.02451	6.9
107.01389	7.3
108.02209	2.7
113.02472	2.4
116.92886	5.7
117.03435	2.3
120.03880	2.3
125.02448	2.9
133.02945	5.9
134.03728	7.8
135.04521	10.6
136.01620	5.2
151.00334	23.4
161.02409	11.8
164.01134	22.2
173.04561	5.2
174.03203	10.4
175.00432	3.4
175.04051	3.6
177.01894	2.4
179.03502	2.9
185.06158	2.7
191.05658	3.7
198.55042	2.6
199.04005	17.5
201.02010	5.0
215.03476	3.3
239.03468	2.7
241.05074	7.2
242.05859	5.2
268.03796	3.2
285.04034	33.1
286.04889	26.9
311.22476	3.0
323.70413	2.8
365.10236	3.3
383.11340	100.0
384.11661	4.6
447.09311	3.2
448.10046	16.9
545.16888	10.6
605.32245	43.4
614.02399	2.3
628.32019	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	605.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45824	0.4
57.18542	0.4
58.22890	0.4
58.51974	0.4
59.01381	4.8
61.98798	0.5
65.64045	0.4
69.17568	2.0
71.01394	2.8
73.21266	0.4
85.02950	1.1
89.02454	2.1
93.17825	0.4
101.02444	2.7
105.03458	0.7
109.34743	0.4
113.02470	1.2
117.03472	0.6
119.03503	1.1
119.62712	0.4
132.02159	1.5
133.02966	26.8
134.03767	2.2
135.04530	17.4
144.04514	0.6
154.54918	0.5
161.02448	100.0
161.87604	0.4
162.02797	1.4
179.03497	11.0
191.05598	1.3
218.04572	1.4
255.02888	0.5
263.09253	0.9
281.10181	0.6
283.02325	0.5
425.21680	2.5
443.15588	57.5
444.15973	1.8
545.26129	0.7
605.18726	46.5
605.26959	2.0
606.18652	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	605.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45824	0.4
57.18542	0.4
58.22890	0.4
58.51974	0.4
59.01381	4.8
61.98798	0.5
65.64045	0.4
69.17568	2.0
71.01394	2.8
73.21266	0.4
85.02950	1.1
89.02454	2.1
93.17825	0.4
101.02444	2.7
105.03458	0.7
109.34743	0.4
113.02470	1.2
117.03472	0.6
119.03503	1.1
119.62712	0.4
132.02159	1.5
133.02966	26.8
134.03767	2.2
135.04530	17.4
144.04514	0.6
154.54918	0.5
161.02448	100.0
161.87604	0.4
162.02797	1.4
179.03497	11.0
191.05598	1.3
218.04572	1.4
255.02888	0.5
263.09253	0.9
281.10181	0.6
283.02325	0.5
425.21680	2.5
443.15588	57.5
444.15973	1.8
545.26129	0.7
605.18726	46.5
605.26959	2.0
606.18652	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	605.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.2
61.70790	0.4
61.98832	2.2
68.99812	0.4
69.03456	1.9
71.01382	3.6
71.47127	0.4
72.90414	0.4
73.02953	1.2
78.58736	0.3
78.91948	0.3
82.95432	0.9
83.01374	0.6
85.02950	1.2
87.00874	0.7
89.02448	2.1
93.03432	0.9
95.01370	0.6
96.96021	1.2
97.02878	0.3
101.02455	3.8
105.03485	1.0
107.01385	0.4
111.00891	0.4
113.02457	2.1
117.03474	1.0
119.03508	0.5
119.05080	0.4
121.02971	0.4
123.04500	0.4
128.05043	0.7
131.07146	1.4
132.02222	1.1
133.02965	29.1
134.03853	2.0
135.04532	16.4
135.22575	0.4
137.02486	0.5
144.04547	1.1
146.06136	2.1
151.00421	0.8
153.05603	0.7
161.02448	100.0
162.02753	2.2
163.03946	0.4
165.05569	0.5
173.04584	0.8
174.05588	0.7
177.05580	1.0
178.05939	0.6
179.03499	7.2
191.05579	1.5
218.04550	3.6
255.02931	0.8
269.04572	0.7
281.10196	0.6
283.02667	0.4
285.03925	1.1
359.05426	0.5
414.34589	0.4
425.21774	1.0
443.15598	49.2
444.16028	2.0
560.27240	0.4
561.21832	0.6
605.18713	38.1
606.19385	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	605.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59902	0.5
59.01374	2.9
61.98834	11.9
65.00328	1.5
68.85474	0.4
69.13594	3.2
71.01389	1.6
75.00871	0.5
76.27077	0.5
82.95427	3.5
85.02944	0.8
89.02451	2.4
93.03467	1.2
96.95996	0.6
101.02447	1.3
105.03497	0.5
107.01388	2.9
133.02965	12.6
135.04523	2.4
149.02437	1.9
149.04591	1.0
151.00381	5.3
161.02472	2.8
173.04553	1.5
175.03966	3.2
177.01865	0.6
179.03514	0.6
191.05592	3.0
199.04004	2.8
201.01921	1.1
213.05553	0.7
217.05095	1.1
241.05037	1.2
243.02812	0.6
255.02988	0.5
285.04050	100.0
286.04453	4.3
351.57983	0.5
387.23254	0.4
417.05841	0.6
545.25525	1.1
605.09540	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	605.2407
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
53.08776	0.4
56.06223	0.4
60.41285	0.4
69.91487	1.2
89.66360	0.4
277.21729	1.2
293.21115	0.7
295.22729	2.4
309.20712	1.2
394.12280	0.5
416.16803	0.7
429.16861	0.8
430.18158	1.8
443.19135	0.9
444.19571	0.5
457.20520	2.0
458.18692	0.4
459.17941	3.3
471.18188	1.8
472.18896	0.9
473.19992	3.9
475.21500	0.6
485.19705	2.1
485.24539	1.0
486.20929	4.0
487.21033	1.2
496.18790	0.8
499.17612	2.0
501.23962	3.3
502.20139	0.8
511.21457	3.1
513.19037	2.3
514.20111	8.9
518.19385	2.1
528.21271	0.6
529.22437	100.0
530.22833	8.2
532.21082	1.8
533.21661	1.5
535.53400	0.5
561.25092	1.0
573.21301	1.3
605.23907	1.3
605.44153	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	605.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62247	1.0
53.71738	1.0
57.38544	1.2
59.01384	40.2
59.39982	1.2
59.53070	0.9
64.31941	1.0
67.01881	1.0
69.03444	2.7
71.01383	19.8
73.02939	1.9
77.15204	1.0
81.03474	1.4
82.95396	1.1
83.05044	1.9
85.02962	11.1
87.00884	3.1
88.98782	1.5
89.02442	18.5
93.03455	10.6
95.01385	2.4
96.96008	3.4
98.21850	2.5
99.04525	25.8
101.02460	10.3
109.02955	1.7
111.00864	3.2
111.04536	7.2
112.80522	1.0
113.02449	6.2
118.10109	1.1
119.03505	4.7
122.03786	1.2
125.02419	1.1
127.04005	1.4
131.03506	1.1
133.02974	10.9
134.03731	5.1
135.04532	9.8
137.02438	4.4
141.01663	1.5
144.04521	1.5
146.06038	1.1
149.04630	1.1
149.06049	1.1
150.03319	2.9
155.03471	7.3
161.02464	18.2
165.01941	2.0
165.05544	2.4
173.04535	20.0
177.05548	1.2
178.02687	2.6
179.03523	11.7
180.04303	1.7
181.05019	1.3
189.12825	8.7
191.05626	51.8
192.05905	1.7
193.05022	2.8
195.06662	3.1
207.13911	43.3
208.14195	2.1
218.04608	1.6
225.07634	2.2
251.12898	53.4
269.04578	1.1
285.04257	1.1
289.98352	1.1
301.07874	1.2
322.30515	1.1
323.07758	6.2
352.06131	1.0
353.08795	7.8
383.00540	1.5
425.18179	8.1
431.19196	53.8
432.19470	2.5
443.11948	1.8
489.10608	1.6
515.12439	1.2
516.97943	1.1
517.13562	8.4
545.06543	1.3
545.26172	3.0
605.15686	8.1
605.24548	100.0
606.24939	6.3
613.84863	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
59.01381	5.1
67.01878	1.2
69.03475	0.6
69.49186	0.4
71.01379	3.0
73.02969	0.6
78.95892	1.7
79.95745	2.3
81.03452	0.4
82.95419	0.8
83.01357	0.5
83.05022	0.5
84.42045	0.4
85.00477	0.4
85.02934	1.5
87.00878	0.7
88.98804	0.8
89.02436	2.2
93.03462	5.4
96.96009	100.0
96.96996	2.8
97.95901	0.3
99.00867	0.5
99.04523	1.7
101.02454	2.6
103.01492	1.0
105.80394	0.4
109.02929	0.7
111.00876	1.6
111.04500	1.1
113.02441	0.9
117.03453	0.4
119.03524	0.7
121.02972	0.4
125.02430	0.4
127.04062	0.4
128.05063	0.5
129.82973	0.4
133.02936	3.6
134.03769	0.5
135.04521	12.6
137.02432	1.4
146.06085	0.6
147.04517	0.7
149.04529	0.8
155.03485	1.6
161.02444	7.3
164.07159	1.4
173.04543	22.5
175.03978	0.5
177.01927	1.1
179.03499	12.6
189.12842	0.5
191.05602	11.2
203.03438	0.9
207.12192	0.4
207.13831	2.1
218.04529	1.4
247.06551	0.4
251.12897	4.0
285.04099	0.6
299.05627	0.4
317.06580	0.4
353.08737	16.6
354.09146	1.2
355.99026	0.4
425.18137	0.9
431.19174	4.0
451.71414	0.4
455.12070	0.4
472.26636	0.4
515.11877	6.3
516.12012	0.4
545.26031	0.7
562.19336	1.5
605.16290	1.0
605.25470	7.1
606.25360	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
59.01381	5.1
67.01878	1.2
69.03475	0.6
69.49186	0.4
71.01379	3.0
73.02969	0.6
78.95892	1.7
79.95745	2.3
81.03452	0.4
82.95419	0.8
83.01357	0.5
83.05022	0.5
84.42045	0.4
85.00477	0.4
85.02934	1.5
87.00878	0.7
88.98804	0.8
89.02436	2.2
93.03462	5.4
96.96009	100.0
96.96996	2.8
97.95901	0.3
99.00867	0.5
99.04523	1.7
101.02454	2.6
103.01492	1.0
105.80394	0.4
109.02929	0.7
111.00876	1.6
111.04500	1.1
113.02441	0.9
117.03453	0.4
119.03524	0.7
121.02972	0.4
125.02430	0.4
127.04062	0.4
128.05063	0.5
129.82973	0.4
133.02936	3.6
134.03769	0.5
135.04521	12.6
137.02432	1.4
146.06085	0.6
147.04517	0.7
149.04529	0.8
155.03485	1.6
161.02444	7.3
164.07159	1.4
173.04543	22.5
175.03978	0.5
177.01927	1.1
179.03499	12.6
189.12842	0.5
191.05602	11.2
203.03438	0.9
207.12192	0.4
207.13831	2.1
218.04529	1.4
247.06551	0.4
251.12897	4.0
285.04099	0.6
299.05627	0.4
317.06580	0.4
353.08737	16.6
354.09146	1.2
355.99026	0.4
425.18137	0.9
431.19174	4.0
451.71414	0.4
455.12070	0.4
472.26636	0.4
515.11877	6.3
516.12012	0.4
545.26031	0.7
562.19336	1.5
605.16290	1.0
605.25470	7.1
606.25360	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	48.8
61.98841	2.9
65.73800	2.3
69.03474	3.7
69.83582	6.5
71.01381	22.8
73.02945	3.9
83.01386	3.2
85.02937	10.2
87.00881	5.6
89.02441	22.5
93.03461	11.3
96.96021	7.2
99.00880	2.4
99.04514	27.1
101.02427	11.4
107.67994	1.9
109.02956	3.9
111.00878	2.5
111.04531	7.0
113.02443	9.6
119.03510	4.4
121.03026	2.9
123.04462	2.1
127.03967	2.4
128.05115	2.4
133.02960	20.9
134.03729	9.2
135.04547	21.8
137.02426	5.6
141.01747	2.2
144.04469	2.3
149.04596	2.2
149.06061	2.9
150.03232	2.9
155.03497	6.7
159.12837	2.0
161.02455	41.2
161.04503	2.3
165.01926	3.8
165.05521	2.8
171.86003	2.7
173.04613	20.9
178.02724	4.6
179.03494	17.5
180.04337	2.3
181.05139	2.4
189.12834	5.5
191.05630	60.0
193.05040	9.0
195.06573	3.8
207.13882	34.9
217.01752	2.4
218.04555	3.2
225.07722	2.6
232.17961	2.5
251.12886	57.5
268.03784	2.6
269.04617	7.7
273.94489	2.4
323.07782	12.7
340.99771	2.4
353.08731	11.7
383.00839	4.5
425.18335	6.8
431.10010	4.8
431.19168	44.2
439.27005	2.5
443.11798	4.4
517.13483	20.9
518.14453	2.5
545.05542	3.3
545.19672	2.9
545.27191	3.0
569.21918	2.4
605.15417	20.7
605.24493	100.0
606.15350	4.2
606.24609	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	605.318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
55.16669	0.5
57.36659	0.5
59.01379	43.3
69.03435	1.0
71.01384	24.8
71.01779	1.3
72.99297	0.7
73.02946	11.9
75.00874	0.7
83.01416	1.5
85.02946	3.8
87.00874	0.8
89.02448	29.2
93.03445	0.9
95.01390	0.8
97.02952	0.9
99.00882	21.2
101.02448	14.1
113.02453	6.0
115.03967	0.5
119.03499	2.4
125.02455	1.7
131.03519	4.2
133.03000	0.9
134.03761	0.7
135.04543	1.4
137.02432	0.6
143.03511	0.6
149.04562	5.8
161.02420	1.4
161.04562	1.3
179.03381	0.6
191.05644	6.2
310.61105	0.5
310.65063	0.6
318.03708	0.6
383.11258	1.0
409.07559	0.7
425.30646	0.7
462.51709	0.6
519.69666	0.6
545.30035	1.2
569.29950	1.9
587.30841	3.9
605.31848	100.0
606.32104	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	605.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
59.11738	0.4
61.98816	0.5
78.95906	3.3
79.04203	0.4
85.00436	0.5
93.03445	0.6
94.92505	0.6
96.96001	1.5
97.06580	0.9
98.95612	0.6
99.92587	0.5
100.93348	0.5
115.92089	0.7
116.92849	0.9
119.08635	0.5
121.10229	9.1
123.08147	1.3
125.09726	3.8
129.07176	0.5
141.12785	0.7
147.08145	0.7
152.99576	2.5
179.89246	0.9
180.89954	0.5
185.11839	5.8
191.06874	1.0
196.89478	1.1
197.11835	1.8
207.10069	4.8
211.13396	0.5
217.15965	0.9
227.18108	0.8
235.91701	0.5
236.92650	0.5
243.17444	0.6
245.19072	7.7
268.53607	0.4
273.18448	0.5
279.22858	0.5
291.19666	23.7
292.19769	0.7
293.15128	0.5
295.16782	1.0
298.15292	0.5
305.29898	0.5
311.16251	1.4
313.17844	100.0
314.18076	3.0
380.28604	0.7
386.46680	0.4
410.12393	0.4
463.84143	0.4
505.25861	0.5
538.61426	0.5
605.18298	1.4
605.29095	2.2
605.37671	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03202	0.3
59.01368	1.3
60.18978	0.4
61.98833	1.4
63.43224	0.3
68.00724	0.3
69.03451	0.4
69.72546	0.8
69.72940	0.6
71.01382	0.8
75.47512	0.3
82.05140	0.3
89.02467	0.5
93.03526	0.3
98.99763	0.3
100.88495	0.3
101.02452	0.5
104.17068	0.3
104.52136	0.3
116.05074	1.2
118.06612	2.1
128.05072	18.5
129.05467	0.5
131.03752	4.0
132.04561	7.6
133.02962	1.3
135.04482	1.9
136.04825	0.7
144.04553	41.0
145.04886	0.4
146.06120	53.2
147.06491	0.9
149.04643	0.4
160.04099	0.7
161.02454	4.7
162.02798	1.5
165.05429	0.4
170.55923	0.4
172.04065	1.8
174.05605	28.0
179.03525	0.7
191.05592	0.8
207.99326	0.3
218.04582	100.0
219.04976	2.0
285.04077	0.5
443.15683	0.8
444.15793	1.5
526.69769	0.4
606.19513	2.8
607.16565	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31137	0.5
52.51400	0.6
59.01383	4.4
61.98831	3.1
68.14695	0.6
69.12815	2.3
69.31915	0.4
71.01358	0.9
82.95418	2.1
85.02940	0.5
89.02422	1.4
93.03471	0.9
96.96008	1.6
101.02457	1.3
103.01540	0.6
105.21276	0.5
106.49723	0.5
116.05076	1.2
118.06615	2.3
128.05070	19.2
131.03767	4.1
132.04567	7.4
133.02965	4.6
134.03339	0.8
135.04523	4.5
136.04930	0.8
137.02463	0.6
144.04555	38.1
145.04912	0.7
146.06125	52.8
147.06473	0.8
151.00383	1.0
151.04015	0.5
161.02455	14.6
162.02769	4.0
162.49883	0.5
172.04050	1.7
173.04517	1.7
174.05609	28.0
175.05942	0.5
179.03497	2.9
180.03769	0.6
191.05602	3.0
201.48111	0.5
217.03230	0.5
218.04582	100.0
219.04930	1.9
257.05545	0.9
284.03299	0.7
285.04099	4.8
286.04333	0.9
299.05719	1.2
335.02084	0.7
353.08801	1.8
385.65262	0.5
403.54001	0.5
444.15759	1.4
445.13351	0.9
568.24792	1.0
606.18555	3.6
607.16888	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61938	0.5
56.86104	0.6
59.01364	2.0
61.98826	0.8
68.31916	0.6
71.01360	1.1
71.49954	0.6
77.00243	0.6
80.03479	0.5
89.02422	1.1
93.03459	1.2
96.96013	0.8
98.21907	1.7
101.02460	0.7
107.40777	0.7
111.00884	0.8
116.05043	1.4
118.06609	1.9
128.05067	21.6
131.03751	3.8
132.04555	6.8
132.46750	0.7
133.02901	1.2
135.04541	2.6
135.70503	0.6
136.04846	0.7
144.04555	44.1
146.06125	61.2
147.06483	1.0
161.02428	4.9
162.02783	0.8
172.04045	2.6
173.04498	1.1
174.05611	27.4
179.03494	2.5
191.05598	1.7
213.79124	0.7
218.04584	100.0
219.04912	1.2
285.04019	0.8
359.18793	0.7
364.63226	0.7
394.98389	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54374	0.4
57.21702	0.4
59.01378	5.1
61.98830	6.0
64.26559	0.5
68.24091	0.5
69.50945	0.4
71.01378	1.2
73.02896	0.4
77.77129	0.4
82.95414	1.5
85.02962	1.3
87.00898	0.5
89.02431	1.5
96.96001	2.2
98.21823	0.8
98.25179	0.4
101.02427	1.7
103.01474	1.6
113.02467	0.5
115.95758	0.5
116.05074	1.4
118.06637	2.7
121.03012	0.5
128.05070	20.8
131.03763	4.5
132.02139	0.6
132.04555	6.8
133.02950	6.1
135.04503	4.5
144.04550	42.3
145.04890	0.9
146.06116	54.3
147.06453	1.0
149.04643	0.5
151.00322	0.5
161.02434	9.8
162.02789	1.6
163.40030	0.5
164.07040	0.5
172.04045	2.2
173.04564	2.2
174.05602	27.1
179.03522	2.9
191.05612	2.7
218.04572	100.0
219.04929	2.1
255.02841	0.6
257.05670	0.8
263.03592	0.9
283.02448	0.6
284.03183	2.2
285.04031	10.3
286.04483	0.7
299.05496	0.9
319.71869	0.6
335.01788	1.4
353.09030	1.1
562.19580	0.6
568.24939	1.0
606.10242	0.9
606.17883	2.3
607.17755	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.6
61.98829	3.9
62.19671	0.5
63.02401	0.9
65.00336	0.9
70.54648	0.5
71.01370	3.4
73.02930	0.9
75.20004	0.5
82.07169	0.4
82.95410	0.9
83.01405	1.2
84.95114	0.6
85.02933	0.6
87.00841	0.8
88.98817	0.7
89.02445	2.0
91.01881	1.9
93.03456	1.7
95.01366	0.6
101.02429	2.0
105.03482	0.9
107.01395	1.6
113.02445	1.1
117.03456	0.8
119.01398	2.9
119.03571	0.7
121.02926	1.6
123.04502	0.8
125.02419	0.8
131.01395	1.6
132.02095	0.7
133.02965	9.7
135.04509	4.2
147.00867	4.8
149.02437	2.0
149.04446	0.5
151.00369	4.0
151.87968	0.5
159.00883	2.7
161.02441	26.9
162.02750	0.8
173.04555	1.0
175.00359	1.7
175.03995	1.4
177.01915	2.0
177.05618	0.5
179.03508	2.2
183.04349	0.5
185.06029	0.5
189.05376	0.5
191.05577	2.2
193.01337	0.8
199.03970	1.1
214.02504	0.5
227.03546	1.4
251.79037	0.5
255.02983	43.5
256.03510	1.9
268.03741	1.3
269.04529	15.6
271.02518	0.6
283.02478	27.4
284.03259	8.3
285.04041	28.7
286.04446	0.6
293.04428	1.0
311.01981	1.5
327.12369	0.6
371.14789	0.6
401.06573	1.0
431.09369	0.7
445.05515	3.2
446.15790	0.5
447.08875	0.5
547.31561	2.5
563.20642	0.6
606.25208	0.7
607.10889	100.0
608.11249	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	607.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00907	0.5
59.01376	14.3
59.14155	0.6
61.98814	2.1
65.00321	1.6
69.03460	0.8
69.29286	0.6
71.01382	9.7
73.02950	3.3
75.16372	0.5
82.95425	1.9
83.01394	1.4
83.03357	0.5
85.02945	1.4
87.00876	1.0
88.98791	1.5
89.02451	14.9
93.03451	1.5
95.01395	0.7
96.33459	0.6
96.96004	1.9
97.02974	0.6
98.22606	1.5
99.00887	4.0
101.02449	6.9
105.03444	0.7
107.01389	2.3
109.02966	1.2
111.00893	1.0
113.02422	1.9
117.03475	1.0
119.03494	2.0
119.05001	1.6
125.02427	1.9
128.05038	0.9
131.01370	1.3
131.03485	3.4
132.02130	0.8
133.02940	9.2
134.03670	0.5
135.04527	5.9
137.02408	1.2
143.03438	1.0
144.04532	2.3
145.02927	1.9
145.04854	0.7
146.06133	2.7
147.04660	0.7
147.06438	1.0
149.02440	1.2
149.04558	10.1
151.00394	5.9
158.03751	0.8
159.00871	2.2
161.02446	13.0
161.04535	1.0
161.06084	0.6
162.02776	1.1
163.03967	1.0
173.02400	0.7
173.04539	1.5
174.05589	1.3
175.03996	1.9
176.01128	0.6
177.01837	1.3
179.03531	2.8
179.05756	0.7
183.04630	0.7
186.13710	0.5
191.05618	4.8
199.04019	2.1
201.01839	2.8
211.03983	1.0
214.02663	2.4
217.05035	2.6
218.04532	6.3
219.04907	1.9
221.06564	0.7
227.03502	1.5
228.04114	0.7
240.04153	0.8
241.05054	1.1
242.02211	14.1
243.03009	9.9
251.07800	1.4
255.02994	18.2
256.03552	1.1
269.04538	2.0
270.01727	6.1
271.02530	4.7
283.02475	12.0
284.03186	5.0
285.04056	29.6
286.04321	0.9
293.04510	0.7
298.01181	4.7
299.02121	4.7
299.05258	1.2
301.07205	1.0
311.01904	1.1
323.07468	0.7
377.06491	0.6
378.54977	0.7
401.06659	0.9
403.04343	1.0
444.15652	0.7
445.13721	1.0
547.27533	8.1
579.11517	2.7
607.10858	100.0
608.11163	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	607.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48715	0.3
57.42243	0.3
59.01385	4.2
61.98821	0.7
63.02399	0.6
65.00313	1.4
68.92970	0.4
71.01384	2.1
73.02936	0.9
82.95388	0.6
83.01369	0.6
88.98844	0.4
89.02453	3.8
92.05598	0.3
93.03436	0.4
96.95979	0.5
99.00879	1.1
101.02418	1.8
105.03441	0.4
107.01385	1.4
109.02924	0.5
117.03471	0.6
119.05038	0.6
128.05048	0.5
129.12247	0.4
131.01364	1.0
133.02951	5.2
135.04514	1.4
143.05023	0.4
144.88425	0.4
145.02942	1.6
146.06187	0.8
147.00873	0.9
149.02417	1.1
149.04533	3.3
151.00377	5.2
158.03674	0.8
159.00876	1.9
161.02444	4.2
171.20355	0.4
172.01617	0.5
173.04483	0.4
174.03310	0.5
175.03989	1.7
177.01950	0.9
179.03442	1.4
183.04500	0.7
186.03149	0.4
191.03697	0.5
191.05611	1.4
197.06044	0.4
198.03268	0.4
199.04015	1.9
201.01935	2.4
211.04018	0.5
213.01738	0.6
214.02730	3.1
215.03471	1.2
217.01402	0.6
217.04958	1.8
218.04565	1.5
218.58353	0.3
219.04895	0.5
223.33066	0.4
223.65662	0.4
227.00024	0.5
227.03531	0.8
241.05133	1.2
242.02211	11.3
243.02982	11.3
255.02974	11.7
256.03717	1.0
269.04526	0.8
270.01700	7.4
271.02441	6.4
283.02509	6.8
284.03244	3.8
285.04044	22.5
286.04410	0.6
286.89954	0.4
298.01257	4.0
299.01984	6.4
299.05176	0.4
300.02551	0.6
302.90366	0.4
311.01852	0.8
376.57480	0.4
401.06329	0.8
403.04498	1.7
439.67557	0.4
445.05569	0.8
447.09027	0.6
503.15292	0.5
547.27563	2.2
579.11322	2.2
607.10913	100.0
608.11328	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	607.1457
Annotation	Luteolin 3'-methyl ether 7-(3''-E-p-coumarylglucoside)
Peak:m/z	Relative Intensity
50.76263	0.5
53.06838	0.5
56.85674	0.4
59.01377	3.2
59.58259	0.4
61.49776	0.4
61.98824	4.4
63.02378	1.0
65.00303	0.9
72.84764	0.4
79.95686	1.2
80.96513	3.9
83.01350	0.8
85.02933	1.3
87.00847	0.7
88.98801	0.5
89.02406	1.9
93.03448	1.2
94.92567	0.5
94.98054	1.4
95.01324	0.5
99.00856	0.7
101.02419	2.0
107.01357	1.8
113.02438	0.6
117.03466	9.3
119.03558	0.4
119.05008	3.3
121.02936	0.9
125.02473	0.7
132.67432	0.5
133.02983	2.8
134.03656	1.4
135.00777	0.5
135.04491	2.0
145.02953	21.0
149.02373	0.8
149.04498	0.6
151.00352	2.8
159.04590	1.0
160.01570	0.5
161.02451	5.8
161.06071	0.5
163.03960	2.4
164.98553	0.7
175.04005	0.7
179.03477	1.1
181.12103	0.6
183.04501	0.7
191.05566	1.8
199.04022	0.7
205.04892	0.6
225.00677	1.2
227.03464	1.5
255.02919	6.1
256.03769	3.6
268.03748	2.1
269.04529	50.2
270.04828	2.0
281.10208	0.8
283.02478	4.1
283.06030	1.6
284.03247	100.0
285.03931	12.8
293.04477	0.9
297.04111	1.0
299.05585	96.0
300.05914	3.9
307.08234	13.3
311.05551	0.7
323.07693	1.6
403.04916	0.8
445.05588	0.7
530.62189	0.5
547.09692	0.6
547.28137	1.0
571.18231	0.7
607.14319	30.0
607.24677	6.3
607.30780	0.7
608.14801	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	607.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31548	0.4
53.23331	0.5
59.01373	2.6
70.43832	0.9
71.01387	1.8
85.02943	0.6
89.02438	1.6
95.23048	0.4
101.02444	1.7
105.03473	0.8
107.05040	0.8
110.93239	0.5
113.02452	0.6
116.92873	1.4
117.03471	1.2
119.03510	0.5
121.05042	1.1
132.02185	1.0
133.02945	26.6
134.03731	2.2
135.04520	34.8
136.04875	0.6
158.93936	2.2
161.02438	100.0
162.02763	1.9
179.03482	23.2
179.05112	0.9
221.04413	0.5
379.69955	0.5
385.02490	0.8
427.12317	1.7
445.13474	53.3
446.13705	2.6
471.11426	0.6
607.16663	43.3
608.16943	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	607.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65169	0.3
59.01388	2.5
62.53751	0.4
68.77467	0.4
69.18521	1.7
69.18929	0.5
71.01383	1.7
82.95403	1.1
85.02945	0.8
87.00890	0.6
89.02455	1.3
91.05576	0.4
94.84995	0.4
96.96004	1.8
99.63815	0.4
101.02434	1.6
107.05037	2.4
109.02962	0.7
111.00873	0.6
113.02479	0.6
116.92924	0.6
117.03473	1.3
121.05091	0.7
121.60989	0.4
132.02142	0.9
133.02959	16.4
134.03741	7.6
135.04529	100.0
136.04828	1.3
137.02417	0.7
159.04520	0.8
161.02448	56.5
161.06010	2.8
162.02856	0.6
173.04582	0.5
179.03497	68.8
180.03871	1.4
191.05626	0.6
205.05067	1.5
255.91197	0.4
266.05768	0.4
285.04068	1.9
427.12485	3.0
445.13495	21.2
446.13620	0.6
498.63483	0.4
607.16699	55.0
608.17291	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	607.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52209	3.3
59.01379	79.8
67.01880	6.7
68.99813	42.0
69.03458	34.4
69.63136	6.5
69.63543	7.5
71.01373	31.1
73.02939	4.3
73.14511	2.5
75.00871	4.2
81.04510	3.0
83.01392	4.3
85.02953	11.4
85.24847	2.9
87.00872	42.8
88.41355	3.1
89.02444	38.3
91.05520	3.4
93.03453	14.8
95.01367	6.3
95.05022	6.9
95.97420	2.9
97.02918	6.1
99.00880	3.8
101.02438	98.8
107.05029	8.1
109.02938	11.7
111.04533	5.9
113.02443	16.8
119.03521	14.7
119.05007	18.5
121.02957	27.1
123.04516	12.2
125.02399	3.2
125.06121	3.1
127.03989	33.5
127.86933	3.4
128.15193	3.1
128.57263	3.1
135.04527	16.7
137.02429	5.8
137.06068	4.8
143.03511	3.3
147.04518	10.8
149.02414	11.4
149.06073	9.2
151.04013	11.7
153.05553	11.3
161.02480	6.2
163.04015	40.0
165.05530	10.2
167.03493	3.6
173.06090	5.7
175.04041	6.3
175.07597	3.6
177.01895	5.0
177.05562	11.7
179.03484	5.6
179.05634	6.0
181.05058	14.9
188.69952	3.2
189.05533	5.8
191.03496	23.0
191.07137	5.7
193.05074	6.8
195.06639	21.1
201.05347	3.0
203.03476	9.4
203.07118	5.2
205.05026	6.9
207.02963	4.7
207.06630	4.0
209.04482	6.4
217.05086	15.1
221.04472	9.0
223.06100	25.9
233.08113	4.4
235.06120	16.1
237.07724	3.3
245.04527	4.5
267.05151	12.4
277.07300	5.7
287.09186	5.4
293.10425	5.2
337.09259	3.8
455.15582	6.0
457.13388	8.7
467.15652	4.7
485.16504	7.0
487.14575	23.9
496.45374	3.3
499.14587	81.3
500.14664	6.5
517.15454	37.4
529.15594	27.9
547.16486	15.1
553.15845	4.6
569.37756	3.2
589.17432	22.4
607.18854	100.0
608.19177	11.1
614.84167	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	607.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	97.3
64.78848	4.1
68.99818	39.9
69.03451	31.4
69.31324	6.4
69.31728	15.3
71.01376	45.7
73.02931	7.1
75.00862	6.4
85.02952	10.9
87.00873	32.2
89.02438	39.6
93.03452	15.6
95.01397	5.2
95.05034	8.5
97.02921	8.9
99.00846	5.1
99.04510	5.1
100.71300	3.5
101.02441	100.0
107.05032	10.4
109.02926	10.1
111.04530	7.1
113.02447	13.7
119.03497	15.9
119.05015	16.7
119.51622	3.7
121.02943	23.3
121.39072	3.7
123.04516	10.3
125.02465	4.6
127.03998	24.1
131.35741	4.0
135.04509	14.4
137.02425	9.4
139.04019	4.4
147.04514	8.5
149.02435	9.8
149.06123	7.2
151.04001	20.9
153.05540	10.4
163.04001	34.5
165.05562	10.8
173.06085	6.1
177.01933	4.8
177.05583	10.7
179.03432	8.8
179.05592	10.1
179.07092	4.6
181.05055	15.9
183.06677	3.4
191.03525	31.1
193.05067	6.1
195.06616	29.0
201.05630	3.9
203.03455	8.6
203.07188	4.8
205.05032	12.4
209.04489	6.1
221.04594	4.8
223.06084	21.3
234.37244	4.2
235.06079	9.1
243.06508	4.9
255.06604	4.2
263.05493	4.2
267.05023	15.4
275.09253	5.7
287.09293	4.8
310.58569	3.6
349.83673	3.5
417.51556	4.6
457.13177	7.5
465.89572	3.8
487.14383	11.7
499.14520	79.1
500.15274	8.2
517.15619	50.5
529.15607	17.2
547.16602	6.9
589.17413	8.2
607.18713	85.9
608.19086	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	607.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48821	0.6
59.01379	18.5
61.98808	1.5
63.83698	0.6
69.03445	1.0
71.01382	9.3
73.02944	2.6
77.33856	0.6
78.65468	0.6
79.77277	0.7
85.02941	2.2
87.00863	1.5
89.02436	9.8
93.03429	1.0
95.01385	0.8
96.95998	0.8
99.00885	2.8
101.02444	6.1
101.95397	0.6
103.00391	0.9
103.01498	4.9
105.03432	1.1
107.05084	0.8
109.02960	0.7
111.00873	2.4
113.02438	3.2
117.03444	1.5
119.03528	1.4
121.02928	1.3
125.16557	0.6
128.05078	0.8
129.87216	0.7
131.03564	0.9
132.02184	2.1
133.02962	39.4
134.03772	6.0
135.04532	31.4
136.04822	1.3
137.02425	0.9
144.04547	1.5
145.02985	0.8
146.06139	2.4
146.37300	0.7
147.06432	0.9
149.04572	5.2
149.06021	0.9
150.03258	1.1
151.03966	1.1
155.10767	0.8
160.01630	1.2
161.02448	100.0
162.02809	3.6
163.04068	0.7
173.04608	1.4
175.04001	2.7
176.04770	3.6
179.03503	26.8
180.04060	1.4
181.05099	1.1
191.05611	2.7
191.07137	1.3
193.05078	2.0
194.05835	5.8
195.06526	1.4
209.08226	4.3
211.03923	0.8
218.04582	3.3
219.04936	1.5
221.04619	0.9
235.06158	2.4
265.07260	0.7
284.03284	10.1
285.04086	2.1
299.05591	11.9
397.11383	2.3
445.13379	5.7
445.19922	0.7
547.27643	10.9
607.20398	60.2
608.20929	5.5
627.62036	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98009	0.5
55.83393	0.6
59.01380	0.8
63.09301	0.5
70.57874	0.9
71.01371	1.1
73.02949	0.5
81.55113	0.5
85.02943	9.5
87.00867	2.2
91.20014	0.5
93.03440	2.4
127.04010	2.5
171.02992	0.7
173.04576	1.2
191.05618	100.0
192.05899	1.9
264.98651	0.7
328.28748	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62917	0.4
57.03450	0.6
59.01378	19.6
61.98820	2.7
65.00316	1.9
69.03443	0.9
71.01009	0.8
71.01378	12.2
72.99298	0.7
73.02951	4.1
82.95425	2.4
83.01385	1.3
85.02933	1.8
87.00871	0.6
88.98824	2.8
89.02444	22.0
93.03438	1.5
96.95984	1.5
97.02962	0.5
99.00874	6.7
99.04541	0.5
101.02446	10.8
105.03455	0.7
107.01383	2.7
107.05038	0.5
109.02966	1.0
111.00822	0.5
113.02404	2.9
117.03442	1.6
119.03486	1.5
119.05003	1.4
121.02953	0.8
123.04499	0.9
125.02441	2.2
131.01389	1.0
131.03499	4.0
132.02161	0.9
133.02963	9.3
135.04518	7.8
136.04849	0.6
137.02423	0.9
143.03470	0.7
144.04568	2.5
145.02942	2.9
145.04816	0.7
146.06123	3.0
147.04497	0.5
147.06438	1.2
149.02451	1.4
149.04550	16.4
151.00356	7.3
151.03961	0.8
158.03752	0.9
159.00903	2.3
159.04521	0.6
160.01544	0.5
161.02438	15.8
161.04489	1.1
162.02780	1.3
163.03995	0.9
165.02016	0.6
171.04509	0.5
173.04475	2.2
173.05943	1.0
174.03250	0.6
174.05605	0.8
175.04007	2.3
177.01941	1.7
177.05495	0.8
179.03477	4.3
179.05556	0.7
183.04498	0.9
186.03156	1.0
191.05606	5.1
198.03172	0.7
199.04059	2.6
201.01918	2.9
211.04045	0.6
213.01894	0.7
214.02727	3.5
215.03477	1.2
217.05011	2.4
218.04552	4.1
219.02948	0.5
219.04880	2.4
221.04555	0.8
221.06599	1.5
227.03439	1.3
229.01456	0.6
240.04092	0.9
241.04919	1.2
242.02206	16.1
243.02942	12.4
245.00894	0.5
251.07793	2.3
255.02965	14.2
256.03699	1.2
257.08130	0.6
267.02969	0.6
268.03775	0.7
269.04526	1.6
270.01697	7.4
271.02423	6.2
283.02475	9.0
284.03217	4.2
285.04037	30.6
286.04367	1.9
293.08795	0.7
298.01135	4.6
299.02002	7.3
299.05212	0.9
300.02353	0.6
311.02002	0.9
311.09982	0.7
323.07394	0.5
401.06558	0.9
403.04324	1.3
445.05438	0.9
445.13705	2.4
455.11829	0.6
547.27545	12.9
548.27417	0.8
579.11719	2.7
607.10791	100.0
608.11200	13.1
638.77063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62917	0.4
57.03450	0.6
59.01378	19.6
61.98820	2.7
65.00316	1.9
69.03443	0.9
71.01009	0.8
71.01378	12.2
72.99298	0.7
73.02951	4.1
82.95425	2.4
83.01385	1.3
85.02933	1.8
87.00871	0.6
88.98824	2.8
89.02444	22.0
93.03438	1.5
96.95984	1.5
97.02962	0.5
99.00874	6.7
99.04541	0.5
101.02446	10.8
105.03455	0.7
107.01383	2.7
107.05038	0.5
109.02966	1.0
111.00822	0.5
113.02404	2.9
117.03442	1.6
119.03486	1.5
119.05003	1.4
121.02953	0.8
123.04499	0.9
125.02441	2.2
131.01389	1.0
131.03499	4.0
132.02161	0.9
133.02963	9.3
135.04518	7.8
136.04849	0.6
137.02423	0.9
143.03470	0.7
144.04568	2.5
145.02942	2.9
145.04816	0.7
146.06123	3.0
147.04497	0.5
147.06438	1.2
149.02451	1.4
149.04550	16.4
151.00356	7.3
151.03961	0.8
158.03752	0.9
159.00903	2.3
159.04521	0.6
160.01544	0.5
161.02438	15.8
161.04489	1.1
162.02780	1.3
163.03995	0.9
165.02016	0.6
171.04509	0.5
173.04475	2.2
173.05943	1.0
174.03250	0.6
174.05605	0.8
175.04007	2.3
177.01941	1.7
177.05495	0.8
179.03477	4.3
179.05556	0.7
183.04498	0.9
186.03156	1.0
191.05606	5.1
198.03172	0.7
199.04059	2.6
201.01918	2.9
211.04045	0.6
213.01894	0.7
214.02727	3.5
215.03477	1.2
217.05011	2.4
218.04552	4.1
219.02948	0.5
219.04880	2.4
221.04555	0.8
221.06599	1.5
227.03439	1.3
229.01456	0.6
240.04092	0.9
241.04919	1.2
242.02206	16.1
243.02942	12.4
245.00894	0.5
251.07793	2.3
255.02965	14.2
256.03699	1.2
257.08130	0.6
267.02969	0.6
268.03775	0.7
269.04526	1.6
270.01697	7.4
271.02423	6.2
283.02475	9.0
284.03217	4.2
285.04037	30.6
286.04367	1.9
293.08795	0.7
298.01135	4.6
299.02002	7.3
299.05212	0.9
300.02353	0.6
311.02002	0.9
311.09982	0.7
323.07394	0.5
401.06558	0.9
403.04324	1.3
445.05438	0.9
445.13705	2.4
455.11829	0.6
547.27545	12.9
548.27417	0.8
579.11719	2.7
607.10791	100.0
608.11200	13.1
638.77063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.5
58.65718	0.4
59.01381	2.3
61.98830	100.0
63.02391	0.6
63.59701	0.4
65.00333	1.7
66.33280	0.4
69.03496	0.5
71.01385	1.9
72.83813	0.4
73.02945	0.6
81.03442	0.5
82.95415	5.0
83.01398	1.8
84.95172	0.6
85.02982	0.5
88.98810	0.8
89.02430	0.7
93.03477	1.1
101.02448	1.3
107.01400	3.9
109.02967	0.7
117.03459	0.5
121.02986	0.5
123.04518	5.4
125.02452	7.0
133.02943	5.0
135.04533	2.7
136.89958	0.5
137.02493	1.2
149.02507	0.8
151.00371	17.1
151.04031	0.6
159.04514	0.7
161.02432	5.1
167.03503	15.4
172.05312	0.6
173.04597	1.8
173.05971	0.5
175.00386	2.4
175.03993	1.2
177.01913	0.8
179.03485	1.8
185.06197	0.4
187.07646	8.8
191.03577	2.2
191.05653	1.3
199.04076	0.6
200.04788	1.0
201.05595	0.7
202.06360	2.0
204.09428	0.6
205.01550	0.5
209.04587	0.7
213.09256	1.5
215.07120	9.3
217.05054	0.4
221.04503	0.5
229.01500	1.0
231.10283	2.1
255.03061	1.7
256.03394	1.3
269.04529	7.2
270.05252	0.9
283.02451	1.2
284.03241	2.7
285.04047	33.2
286.04410	1.7
309.04053	0.6
329.08926	0.8
339.08755	4.3
365.10278	4.6
383.11353	29.0
384.11789	1.1
389.10367	1.0
407.11487	1.0
447.08887	0.6
501.13867	3.2
527.15784	1.4
545.16595	10.5
546.17371	0.6
608.11670	1.7
609.12518	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	608.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78550	0.2
59.01381	0.3
61.98829	100.0
70.75314	0.3
71.01396	0.2
78.95898	0.3
80.96516	0.6
91.89703	0.2
100.85333	0.2
101.02498	0.3
133.02956	0.7
135.04451	0.3
151.00357	0.3
161.02477	0.6
179.03569	0.3
191.05655	0.3
197.11861	0.3
251.11179	0.2
255.02969	0.3
284.03250	1.6
285.03986	2.9
402.94974	0.2
534.28711	0.5
607.34485	0.2
608.12000	0.9
609.12640	1.0
609.25861	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.3
61.98826	100.0
68.02911	0.2
70.94064	0.2
76.13073	0.2
90.20874	0.2
119.16089	0.2
133.02997	0.8
135.04526	0.6
151.00360	0.2
161.02460	0.7
168.02611	0.2
177.23700	0.2
255.02971	0.4
256.07593	0.2
283.02353	0.3
284.03238	2.2
285.04022	3.4
286.04843	0.4
303.85297	0.2
313.03778	0.4
383.11520	0.7
432.59033	0.3
448.10477	0.3
550.27899	0.3
607.33569	0.3
608.11407	1.9
609.12280	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1247
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
53.06741	0.2
56.73650	0.2
59.01369	0.4
60.99303	0.4
61.98854	0.2
63.02394	1.3
65.00324	0.6
69.35962	0.8
72.37125	0.3
72.88206	0.3
83.01378	0.5
88.98804	2.4
105.03438	0.4
107.01378	1.3
109.02930	1.5
121.02954	1.0
132.02205	0.3
133.02951	7.4
134.55051	0.2
135.04552	0.8
148.75328	0.3
149.02470	2.1
151.00366	3.3
151.03932	0.3
161.02429	4.1
171.04568	0.5
175.04008	2.2
177.01910	0.7
179.03525	0.6
185.06093	0.8
189.05518	0.4
195.04620	0.2
197.06232	0.3
199.04021	2.2
201.01947	0.4
213.05576	0.6
215.03468	0.4
217.05058	1.1
229.04924	0.3
241.04984	0.6
243.02919	0.8
256.03580	0.3
257.04697	0.3
284.03210	0.8
285.04031	100.0
286.04398	3.8
323.07739	0.8
412.00711	0.3
519.15057	0.5
549.29938	0.6
609.12451	29.6
610.12921	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	609.125
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
57.03432	0.1
57.21414	0.1
59.01377	0.4
61.98829	0.1
63.02394	1.0
65.00310	1.1
65.00625	0.1
69.90922	0.3
71.01398	0.5
73.02953	0.1
77.03976	0.1
81.03436	0.1
83.01380	0.7
89.02451	0.1
101.02441	0.3
105.03455	0.7
107.01385	2.3
107.05033	0.2
108.02190	0.3
109.02940	1.0
113.02418	0.1
115.01876	0.1
117.03463	0.2
121.02944	0.8
125.02488	0.1
129.39180	0.1
132.02187	0.8
133.02953	16.8
134.03819	0.5
135.04523	7.4
136.04861	0.2
137.02463	0.1
138.89911	0.1
140.01450	0.1
143.04996	0.1
147.04491	0.2
148.01668	0.1
149.02438	1.9
149.06096	0.3
151.00372	5.1
151.03987	0.2
152.01079	0.2
157.06560	0.2
159.04503	0.2
160.01698	0.1
161.02441	21.4
162.02731	0.6
169.06723	0.2
171.04457	0.4
173.06056	0.2
174.03229	0.1
175.04002	2.8
177.01941	0.6
177.05536	0.9
179.03494	3.6
179.05089	0.2
184.05144	0.1
185.06061	0.5
187.03990	0.3
189.05569	0.3
195.04433	0.1
197.06010	0.5
198.03241	0.3
199.03990	2.5
200.04495	0.2
201.01944	0.9
203.03429	0.2
205.05138	0.1
211.04028	0.3
212.04752	0.3
213.05545	0.6
215.03499	0.5
217.05038	1.7
220.03793	0.3
221.04532	0.6
223.04001	0.2
224.04570	0.1
226.02766	0.2
227.03568	0.2
229.05052	0.4
233.04588	0.1
239.03430	0.3
240.04221	0.3
241.05072	0.9
242.02287	0.2
243.02960	0.8
255.03093	0.2
256.03720	0.6
257.04593	0.5
263.05588	0.2
267.02869	0.5
269.04449	0.2
280.05881	0.2
283.02487	0.2
284.03268	5.7
285.04028	100.0
286.04382	3.9
297.04071	0.2
299.05624	0.1
323.07733	1.7
325.03549	0.2
327.05048	0.4
361.55325	0.1
384.19321	0.1
447.09290	0.8
487.08743	0.3
609.12445	60.0
610.12775	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	609.125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78991	0.1
54.70243	0.1
59.01369	0.5
61.98817	0.3
63.02389	1.0
65.00317	0.9
69.03440	0.1
69.20881	0.2
69.21288	0.3
71.01375	0.5
72.70461	0.1
73.02947	0.1
81.03442	0.1
83.01379	0.7
85.02940	0.3
89.02454	0.2
93.03465	0.1
96.96018	0.1
98.22640	0.1
101.02438	0.2
105.03465	0.7
107.00702	0.2
107.01389	2.2
107.05027	0.1
108.02193	0.8
109.02953	1.1
113.02416	0.1
116.02556	0.1
117.03463	0.3
119.03471	0.1
121.02958	1.0
123.04516	0.3
125.02464	0.2
131.05034	0.1
132.02187	0.8
133.02954	16.2
134.03815	0.8
135.04523	7.5
136.04848	0.2
137.02425	0.1
143.05038	0.2
145.02953	0.1
145.06599	0.1
147.04478	0.2
148.05205	0.1
149.02434	1.7
149.06110	0.5
151.00366	4.7
151.03931	0.2
152.01152	0.7
156.02167	0.1
159.04509	0.2
160.01584	0.1
161.02441	20.9
162.02800	0.5
163.03973	0.2
167.04936	0.1
169.06599	0.2
171.04506	0.5
173.02423	0.1
173.05997	0.2
174.03285	0.1
175.04004	3.2
177.01979	0.5
177.05566	0.8
179.03493	3.9
180.03906	0.1
183.04456	0.1
185.06062	0.6
187.03996	0.2
189.05540	0.3
191.05501	0.1
195.04454	0.2
197.06155	0.4
198.03168	0.5
199.03987	2.4
200.04376	0.1
201.01913	0.8
201.05545	0.1
202.02283	0.1
203.03525	0.2
211.03976	0.3
212.04713	0.2
213.05525	0.7
214.02670	0.1
215.03505	0.5
217.05037	1.6
220.03769	0.1
221.04532	0.7
223.04099	0.3
224.04706	0.1
226.02702	0.2
227.03586	0.3
229.05060	0.4
233.04669	0.1
239.03334	0.4
240.04253	0.2
241.05037	1.0
242.02113	0.2
243.03008	0.9
251.05655	0.1
255.02950	0.3
256.03708	0.5
257.04556	0.5
267.02972	0.4
268.03629	0.1
269.04529	0.4
280.06107	0.2
281.06674	0.1
283.02441	0.2
284.03268	5.7
285.04028	100.0
286.04376	4.4
297.03989	0.3
323.07724	1.5
325.03519	1.1
327.05051	0.3
447.09198	0.7
448.09311	0.1
485.12997	0.1
487.08752	1.2
488.08893	0.1
609.12451	56.2
610.12775	5.1
610.22906	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	0.4
59.01378	10.3
61.95491	0.3
61.98825	0.4
63.21111	0.3
65.00329	0.6
68.54739	0.3
69.07496	1.7
69.07909	0.6
71.01375	4.5
73.02963	0.9
76.23418	0.3
83.01406	0.5
85.02975	1.4
87.00908	0.7
88.98792	2.6
89.02444	4.6
93.03457	0.4
96.96036	0.4
97.02940	0.3
98.21767	0.5
99.00908	0.7
101.02447	3.8
107.01439	0.8
108.02187	0.5
109.02970	0.8
111.00910	0.6
113.02443	2.0
119.03506	1.9
123.30759	0.3
133.02950	3.9
135.04578	0.5
149.02458	1.2
151.00375	3.1
152.01152	0.8
155.03526	0.7
161.02505	2.0
161.04497	1.6
162.02792	0.4
171.04614	0.4
175.04013	1.8
179.03474	0.4
179.05617	1.6
191.05620	1.3
195.06683	0.4
196.05399	0.4
199.04057	1.2
211.03894	0.5
213.05591	0.4
217.05048	0.5
225.07689	0.4
241.04980	0.8
243.03098	0.6
255.02966	5.7
256.03760	1.2
283.02390	2.1
284.03265	27.0
285.04034	100.0
286.04398	3.7
327.05063	1.0
359.07339	0.3
387.20126	3.2
447.09293	78.7
448.09583	3.6
549.25201	6.3
577.95172	0.4
609.14545	19.2
610.14819	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.9
63.02409	0.6
68.99813	1.4
69.03430	0.9
71.01377	4.7
71.47488	0.6
73.02934	1.0
83.01395	0.8
85.02944	0.9
87.00842	0.6
88.98798	2.5
89.02439	6.5
95.01386	1.4
96.73764	0.5
99.00906	0.6
100.51151	0.5
101.02447	5.0
107.01413	0.5
111.00881	1.2
113.02419	1.6
119.03510	1.7
119.04962	0.5
123.04504	3.0
125.02384	0.7
131.03546	0.7
133.02962	2.1
134.03711	0.5
135.04549	0.7
143.03491	0.9
149.02380	1.1
151.00333	2.1
155.03462	3.6
159.37839	0.5
161.02438	0.7
161.04576	1.4
163.03992	1.0
165.01959	2.8
165.07527	0.6
175.03992	0.9
179.03429	1.1
179.05626	3.9
180.04335	0.8
191.05632	3.0
195.06601	1.7
201.01796	0.6
206.08249	0.7
207.08467	0.7
213.05498	0.8
221.06604	1.0
223.31085	0.4
225.07658	2.5
239.18637	0.5
241.05132	0.6
243.02942	0.9
249.11343	1.1
255.02943	1.3
256.03702	2.0
283.02420	0.6
284.03265	41.5
285.04037	100.0
286.04352	3.3
297.03723	0.5
327.05060	1.5
337.09323	2.2
391.48499	0.5
429.17551	1.4
447.09311	98.4
448.09604	5.4
491.15482	1.3
549.25391	1.7
609.14508	8.1
639.97443	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66052	0.9
59.01375	4.8
59.69014	0.7
60.99290	0.8
64.47041	0.7
64.94993	0.7
65.00335	1.2
68.99804	1.1
69.80986	1.9
71.01374	6.6
73.02941	2.1
79.26352	0.6
81.03472	0.9
83.01385	1.0
85.02946	2.9
87.00880	1.1
88.98331	0.7
88.98779	4.1
89.02439	5.1
93.03447	0.8
95.01364	2.0
97.02922	0.7
98.22570	0.8
99.00860	2.2
101.02441	5.6
108.02171	42.5
109.02949	16.3
113.02473	3.7
119.03481	1.3
121.02927	1.5
123.04530	3.6
125.50360	0.7
132.02147	0.7
133.02954	7.6
134.03688	2.4
135.04523	19.9
135.45360	0.8
143.03505	1.1
149.02380	1.1
151.00392	2.7
151.04008	2.3
152.01149	88.8
153.01904	3.8
155.03482	3.8
159.02969	0.8
161.02448	10.5
161.04521	3.8
161.05968	0.8
163.04004	4.2
175.03944	1.6
177.01917	1.0
179.03514	4.9
179.05638	3.4
184.97995	0.8
191.05678	1.9
199.03915	1.1
221.06651	1.4
225.07675	1.0
271.08264	1.7
284.03296	6.7
285.04031	63.2
286.04340	3.0
315.07312	0.8
319.18488	0.7
429.10303	1.6
447.11423	56.1
448.11697	1.6
459.73877	0.7
565.16327	1.1
577.00208	0.8
609.14532	100.0
610.14728	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	609.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.6
60.71686	0.4
61.98824	1.0
63.02412	0.4
65.00320	1.5
69.33017	1.4
70.26880	0.4
71.01373	0.7
83.01370	2.0
87.00860	0.3
88.98811	0.4
89.02450	0.8
96.96040	0.5
101.02438	0.7
107.01382	3.0
108.02162	2.2
111.00877	0.3
113.02411	0.5
125.02447	4.4
133.02971	3.3
134.03748	5.4
135.04521	3.0
136.01669	4.5
137.02483	0.3
141.79341	0.4
149.02470	0.4
149.06075	1.4
151.00363	9.3
158.03717	1.3
161.02451	5.8
163.03854	0.3
164.01154	12.6
173.04590	0.4
173.06061	0.8
174.03230	3.1
175.00377	0.9
175.04056	0.7
176.04732	0.5
177.01967	0.7
179.03499	1.2
181.05074	0.4
185.02545	0.5
187.04066	0.6
188.04774	0.5
191.05606	0.7
196.00110	1.3
199.04016	3.5
200.04771	1.2
201.01952	3.4
202.02779	0.8
213.05515	0.7
214.06331	0.9
215.03516	1.6
215.07066	0.6
216.04282	0.8
217.05067	0.8
227.03548	1.0
239.07098	0.4
240.04271	1.1
241.05106	1.8
242.05853	5.4
257.04694	0.3
257.05630	0.4
257.08228	3.1
258.05377	1.8
268.03601	0.8
269.04623	0.4
279.02841	0.4
283.06137	1.3
284.03256	0.5
285.04044	8.6
286.04776	8.0
301.07175	100.0
302.07538	5.2
321.04282	0.5
323.07806	0.4
325.07346	2.4
343.08218	1.2
447.06882	1.7
537.13867	0.9
573.15839	0.8
609.19189	7.4
609.31110	0.7
610.19891	0.6
632.61145	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.267
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
50.11040	0.8
50.74435	0.9
59.01360	1.2
61.98811	4.1
73.18256	0.8
78.09361	0.8
78.95899	45.9
80.96500	1.4
96.96954	7.7
101.02431	0.8
101.74747	0.9
130.97397	0.8
133.02960	3.9
135.04495	2.7
143.48537	0.8
151.00313	1.3
152.99582	55.8
161.02443	5.2
171.00583	1.9
171.10251	1.8
175.03955	1.0
179.14326	1.3
194.80328	0.9
195.13934	9.9
196.14665	1.4
205.12340	1.1
211.13393	1.2
223.00114	4.8
223.13417	3.9
231.36700	0.9
241.01157	19.7
244.86330	0.9
259.02100	2.0
275.20148	3.8
284.03180	1.9
285.04037	27.1
293.21216	28.5
294.21622	1.6
315.04865	8.6
535.85046	1.0
540.19299	1.7
609.12848	11.2
609.26740	100.0
610.12665	2.3
610.27271	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	609.274
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16737	1.9
59.01375	100.0
68.99805	3.8
71.01374	55.2
71.45164	2.2
72.99307	3.5
73.02953	4.3
79.75488	2.4
85.02962	6.9
87.00884	5.8
89.02437	72.4
93.03439	2.2
95.01365	3.0
96.95992	4.7
101.02444	33.4
102.02799	2.8
105.01898	4.7
113.02438	18.0
115.00375	4.8
118.98042	2.3
119.03497	28.5
131.03484	3.8
131.07127	5.4
133.01396	12.3
135.04530	4.7
136.04836	2.8
143.03511	5.3
149.04539	5.0
152.01154	3.0
161.02437	8.3
161.04582	9.2
165.01924	2.7
179.03404	3.1
179.03943	3.3
179.05595	38.8
191.05524	5.2
197.20341	2.7
235.06230	2.3
267.05054	3.0
293.12402	7.0
501.15118	5.1
519.15704	4.2
549.25415	17.9
609.18890	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	609.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89592	0.3
55.01865	1.4
57.03433	1.1
59.01376	29.1
61.98813	1.4
69.23604	0.8
69.24020	1.1
69.99061	0.3
71.01378	17.2
72.99324	0.5
73.02942	2.9
76.28407	0.3
83.01379	2.6
85.02940	5.8
87.00870	1.3
89.02443	8.6
95.01380	1.3
99.00876	1.1
101.02443	11.1
111.00880	0.7
113.02438	5.1
119.03516	2.5
125.02454	0.4
126.22420	0.3
127.75795	0.3
133.02940	1.2
135.04529	0.6
143.03459	0.4
145.87952	0.4
151.00423	0.5
151.80507	0.3
161.02429	1.4
161.04608	0.6
176.94862	0.4
179.03395	0.5
191.05644	1.2
196.81987	0.4
233.41321	0.3
243.92979	0.4
267.19766	0.4
269.21051	0.4
284.03290	0.9
285.04025	7.0
285.20773	1.9
286.04257	0.6
360.64175	0.4
429.24884	4.0
431.26828	0.6
447.25989	19.6
448.26163	0.8
609.12323	4.2
609.31226	100.0
610.12689	0.6
610.31482	7.1
610.41199	0.4
619.81689	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81821	0.1
55.01885	1.2
57.03440	1.0
58.00584	0.6
59.01379	28.5
60.01719	0.2
61.98832	1.7
63.02418	0.3
65.00339	0.3
68.78761	0.1
68.99807	0.2
69.03447	0.3
71.01381	18.4
72.99315	0.8
73.02947	3.4
75.00871	0.4
83.01385	3.0
84.02152	0.1
85.02951	5.9
85.06584	0.2
86.00108	0.5
87.00859	1.3
88.98813	0.2
89.02445	8.4
93.03492	0.2
95.01390	1.7
97.02930	0.3
99.00881	1.2
101.02442	12.8
107.01365	0.3
109.02963	0.2
111.00892	0.7
113.02445	6.2
119.03503	3.0
119.04306	0.3
123.78732	0.2
125.02458	0.5
129.01913	0.2
131.03488	0.1
133.02954	1.8
134.03690	0.2
135.04521	1.1
143.03497	0.2
149.02496	0.2
151.00366	0.7
159.03011	0.3
161.02446	2.7
161.04561	0.7
165.05629	0.3
173.04483	0.2
175.03999	0.4
176.58095	0.2
177.01892	0.2
179.03490	0.5
179.05692	0.2
187.04024	0.2
191.05592	0.9
216.47237	0.2
217.05037	0.3
239.20174	0.2
241.05103	0.2
249.86177	0.2
267.19720	0.9
269.04544	0.4
269.21201	0.4
281.21039	0.2
283.13403	0.2
284.03183	0.9
285.04047	11.5
285.20670	1.7
286.04507	0.8
301.14575	0.2
309.14883	0.2
323.07794	0.2
325.56671	0.2
327.21927	0.2
329.14096	0.5
353.13773	0.3
364.62134	0.2
371.15045	0.2
401.25592	0.3
429.24887	4.0
431.26483	0.6
443.26282	0.3
447.10846	0.8
447.25989	19.8
448.26337	1.2
453.30969	0.2
489.26764	0.2
501.27158	0.4
510.82730	0.2
537.69025	0.2
549.29987	0.2
591.30939	0.3
596.52020	0.2
609.12299	6.2
609.31244	100.0
610.13403	0.8
610.31592	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	609.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03693	0.7
59.01376	4.0
61.84851	0.7
71.01379	0.7
71.04980	0.7
71.09222	1.0
88.65205	0.8
95.05038	3.4
109.06601	2.7
121.10239	24.8
124.14974	0.6
125.09734	1.7
127.07694	0.8
127.11272	1.1
127.44076	0.6
132.31883	0.6
133.02972	1.1
133.22960	0.6
135.04552	1.0
161.02432	1.7
171.10274	55.5
172.10696	1.3
177.16472	1.7
181.12373	0.8
183.10257	1.5
183.13899	8.2
185.11833	1.9
191.06889	0.6
193.08466	0.8
203.10609	1.1
205.12413	0.7
207.10046	2.3
211.13406	2.4
223.13155	5.4
231.21211	5.4
235.17017	3.0
246.12387	1.2
249.18655	0.9
267.12170	2.2
275.20166	75.4
276.20526	2.8
278.11389	8.3
285.04062	6.6
286.04407	0.9
293.21231	97.5
294.21445	4.0
297.18433	4.4
302.30258	0.8
313.17804	0.8
315.19412	73.7
316.19739	2.9
359.18503	3.6
609.13330	4.2
609.41315	100.0
610.13464	1.2
610.41681	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	609.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52647	0.5
57.03433	2.5
59.01367	2.0
76.20005	0.5
78.95911	3.0
93.03522	0.5
93.19884	0.5
96.96933	0.7
97.06571	0.6
98.22790	1.0
107.05082	0.6
111.08137	1.2
113.09727	9.1
114.34563	0.6
118.79881	0.5
121.06580	2.1
121.10251	1.3
133.02953	1.3
134.16164	0.8
139.11325	1.0
149.09750	0.8
152.99564	1.2
161.02437	1.1
162.83957	0.8
167.10806	1.5
171.10287	6.1
177.12735	0.7
177.28967	0.6
179.10701	1.0
195.13885	1.1
215.10521	0.8
217.12061	3.7
235.13219	1.1
247.20691	1.1
249.10979	1.0
249.22232	1.1
264.09738	0.5
272.13864	1.5
275.20117	5.4
285.04044	7.0
287.20169	0.7
293.21219	51.4
294.21567	2.0
297.18265	1.0
315.19388	100.0
316.19687	5.0
481.25803	0.7
492.45770	0.7
572.10657	0.9
573.09454	0.7
574.10028	0.7
584.93439	0.7
603.84802	0.7
609.12500	4.0
609.40985	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	609.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50560	0.4
59.01387	1.2
69.45654	1.1
69.46056	0.9
95.05029	33.5
96.05406	0.5
103.11335	0.4
111.08167	0.6
121.10236	2.5
133.03038	0.4
136.36839	0.4
150.02994	1.4
153.48615	0.4
161.02473	1.0
167.10837	0.5
171.10301	5.3
179.14420	1.2
189.05360	1.4
195.13914	9.6
196.14702	2.1
205.12283	0.9
205.15919	0.7
223.13377	7.9
231.21196	1.0
245.11533	0.6
246.12360	31.2
247.12764	0.9
249.22333	0.4
256.13193	1.3
270.04849	0.4
275.20193	11.8
276.20374	0.5
278.11359	58.6
279.11746	1.2
285.04071	2.7
293.21234	100.0
294.21561	3.8
315.19418	37.3
316.19757	1.3
359.17783	0.4
360.45126	0.4
371.25885	0.4
372.50598	0.4
411.19586	0.4
461.42728	0.4
526.82690	0.4
572.32135	1.5
609.13104	2.0
609.41321	23.9
610.41699	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	610.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52760	2.0
57.03447	3.6
59.01380	77.9
61.39632	2.1
61.73337	2.4
61.98813	8.5
65.00314	2.3
69.26703	9.8
69.27104	6.0
70.56189	2.3
70.70912	2.1
71.01381	42.1
72.99300	5.1
73.02937	5.4
75.00849	2.7
80.74364	2.6
83.01379	3.5
85.02942	10.3
87.00872	21.8
88.98792	9.5
89.02444	61.1
93.03441	7.6
95.01376	4.7
96.96053	5.6
99.00889	5.8
99.04533	2.8
101.02438	18.0
109.02970	3.1
111.00852	3.2
112.98799	2.9
113.02430	15.5
116.98340	2.8
119.03524	22.4
121.02957	14.3
122.03304	4.0
123.04519	9.5
125.02380	2.3
129.01923	6.2
131.03510	5.5
133.02975	32.1
134.03229	13.7
135.04526	25.4
136.04866	9.6
137.02391	5.7
143.03487	6.8
144.61545	2.5
147.02979	7.6
149.04596	2.9
151.00368	7.2
151.03992	2.9
152.01140	7.6
153.01489	3.5
161.02449	100.0
161.04506	5.6
162.02974	50.3
165.01903	17.8
165.05530	2.7
166.02272	6.9
176.04776	7.8
177.05577	41.9
179.03516	28.9
179.05602	19.3
180.04028	9.6
181.04759	5.8
191.01979	5.5
191.05565	11.3
191.07063	2.7
192.05978	3.9
194.05844	20.0
195.06592	16.0
196.06866	4.8
199.43103	2.4
209.08212	23.5
211.06009	3.2
221.04460	5.0
223.85921	2.5
225.07686	11.2
226.08070	4.9
282.06940	3.5
284.03503	3.4
285.04056	49.2
286.04373	42.6
287.05521	10.6
336.72968	2.8
357.11746	5.3
365.51694	2.9
383.09647	8.5
384.10248	12.8
426.11249	3.4
431.19055	3.8
479.21417	5.6
485.13071	7.4
486.13556	26.9
552.08954	2.7
610.18536	76.8
611.17432	3.7
611.26434	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	610.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98801	4.6
71.01379	54.0
85.02949	6.5
87.00875	5.3
89.02446	96.2
98.02985	2.6
101.02443	35.0
104.01816	2.8
113.02444	28.5
119.03506	41.6
131.03516	5.5
143.03505	12.7
149.04524	5.7
157.45903	2.8
161.04568	19.7
179.05614	81.5
191.05666	4.2
210.14821	2.8
273.10928	2.9
405.21249	8.3
548.21375	2.9
567.26544	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75143	0.5
57.03437	2.6
57.36097	0.6
59.01378	16.4
61.98821	1.7
63.16385	0.5
63.28213	0.5
69.39401	0.5
71.01360	0.7
71.43984	0.4
73.38185	0.5
77.10486	0.6
78.95905	25.3
79.95734	1.6
95.96182	0.9
96.96951	3.6
97.06596	0.7
109.06590	0.8
113.09720	12.1
122.98544	2.1
125.00070	0.7
127.11250	0.5
133.02927	0.8
135.11838	0.7
139.11267	1.2
149.23717	0.6
150.98004	0.6
151.01607	0.6
152.01242	0.6
152.98329	0.8
152.99583	14.1
161.02344	1.0
162.83881	1.0
167.10765	3.7
168.04315	4.0
171.00587	0.9
177.12822	2.1
179.10779	1.8
179.14413	1.4
195.13889	9.1
198.42024	0.6
205.12366	3.0
205.15918	0.5
209.11919	0.6
223.13385	20.5
224.06935	3.6
224.13808	0.8
224.34317	0.5
231.75523	0.5
242.07996	9.4
249.22221	0.9
275.20407	0.9
277.21753	0.6
285.04037	2.6
286.04370	2.2
293.21222	100.0
294.21555	4.0
295.22806	3.5
307.22787	9.8
311.22342	0.8
375.15778	2.2
420.21454	2.5
447.22012	1.1
448.21005	11.0
473.23239	1.0
518.28815	5.0
519.29510	1.0
536.29999	9.4
573.95551	0.7
610.13031	3.4
610.27081	1.0
611.28320	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	610.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67580	1.0
59.01377	22.0
61.98829	48.9
63.99236	3.4
69.27821	2.5
69.28225	3.7
73.50533	1.2
78.95896	12.2
80.96492	2.1
81.11178	1.2
83.66035	1.0
86.84565	1.0
93.03484	2.2
98.21935	2.1
99.08150	2.9
101.02415	1.2
103.56836	1.0
107.13066	1.0
113.09721	2.7
129.09229	4.4
133.02954	3.0
134.03696	1.3
135.04539	3.1
141.09279	1.4
141.95403	1.1
149.20018	1.0
151.00488	1.1
152.99573	6.7
161.02446	4.8
162.02769	1.5
167.14436	1.4
168.04350	2.8
169.12361	3.7
173.04591	1.2
181.12317	3.6
183.13815	1.5
191.05603	4.5
193.12297	1.7
197.11771	10.2
199.13390	5.5
211.13385	16.6
224.06966	1.9
242.07993	5.3
275.20050	1.3
285.04083	10.5
286.04361	8.6
293.21216	10.5
294.21649	1.4
311.22269	54.8
312.22714	2.9
418.29443	1.2
465.22427	4.5
536.29895	100.0
537.30646	5.3
593.24353	1.2
610.12628	9.0
610.26263	4.9
629.32208	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55389	0.7
57.03434	1.9
58.10260	0.7
59.01376	22.8
61.98828	16.7
63.99252	1.3
69.03448	0.8
69.12269	1.6
69.12669	4.8
78.95900	11.5
81.74854	0.8
82.95402	0.8
83.05011	1.3
85.02923	1.1
90.62122	0.8
93.03440	2.0
99.08156	1.6
101.02433	1.6
110.76864	0.8
113.09749	2.3
121.10224	0.9
125.00984	0.9
128.03502	1.6
129.09224	3.7
133.02950	3.4
133.56288	0.7
134.03703	1.8
135.04510	3.4
136.15561	0.7
139.11266	2.9
139.41046	1.1
142.87140	0.8
149.09727	0.9
151.00365	1.1
151.03981	0.9
151.11264	1.1
152.99608	3.7
155.10786	0.7
161.02371	4.0
162.02794	1.0
163.11299	1.3
165.12935	0.9
168.04274	2.0
169.12303	1.8
171.10252	7.2
173.04553	2.6
179.03487	3.6
181.12355	2.7
183.13902	2.4
191.05638	4.5
193.12314	4.4
197.11790	5.4
199.13385	2.0
209.11742	0.8
211.13393	12.2
224.06976	1.7
227.12811	0.8
242.08002	4.1
249.22240	1.4
284.03162	1.0
285.04059	7.2
286.04440	4.1
293.21234	16.2
311.22275	65.1
312.22577	2.5
399.12183	1.6
449.14682	1.8
465.22314	2.8
512.84381	0.9
536.29962	100.0
537.30389	7.0
610.12854	6.2
610.26001	1.4
611.13275	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	611.096
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	31.3
69.39873	11.1
69.58424	40.8
72.68085	12.3
78.95897	25.7
96.96004	100.0
98.22655	15.3
105.78003	9.9
152.99590	24.8
173.26169	10.0
197.77592	12.6
273.54346	11.9
287.72662	11.5
305.87491	10.5
378.60547	12.7
608.61121	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	611.141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12465	0.5
57.03439	3.5
59.01373	2.2
61.98828	2.2
63.02390	1.2
65.00326	12.5
69.03449	0.5
69.34573	1.2
69.34978	1.2
71.01386	2.0
83.01385	6.0
85.02968	1.3
93.03487	2.3
101.02416	0.7
105.03482	0.5
107.01390	20.8
107.05026	0.9
109.02966	3.5
111.00972	0.5
113.02476	0.5
120.57414	0.5
125.02450	34.0
128.51707	0.5
131.01335	0.9
132.02206	0.5
133.02956	13.1
134.03731	2.1
135.04526	72.0
136.04884	2.2
137.02493	0.7
149.02480	0.7
149.06075	1.2
151.00377	100.0
152.00743	1.7
159.04553	1.0
161.02449	52.7
162.02831	1.4
165.01883	2.9
169.01472	0.6
173.04561	4.2
175.00375	2.8
177.01945	5.3
177.05574	2.4
179.03511	13.7
187.07660	1.0
191.05630	3.0
203.03481	0.9
217.01436	0.9
221.04541	4.6
231.10234	0.9
263.05582	0.7
269.04575	2.2
275.09283	1.4
277.08582	0.5
281.06686	0.9
285.04074	3.2
286.04578	1.3
287.05609	33.6
288.05948	0.9
323.07721	38.4
324.07968	1.4
327.08765	0.5
347.99368	0.5
353.08752	3.2
431.09546	0.6
449.10788	12.7
475.08920	2.6
501.10367	3.9
581.23090	0.5
611.14008	71.5
612.14423	5.1
627.90637	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.0
65.00326	15.4
71.01360	1.7
71.17070	1.2
83.01386	6.6
88.72919	1.1
107.00710	1.9
107.01398	27.7
109.02940	4.1
111.72247	1.5
116.82095	1.1
121.00737	1.2
125.02446	37.2
133.02016	1.4
133.02972	15.9
134.03653	2.0
135.04527	73.7
136.04846	2.1
137.02458	1.3
149.06174	1.3
151.00377	100.0
152.00667	2.1
161.02448	53.4
165.01897	3.7
175.00340	3.1
177.01929	5.5
177.05521	2.9
179.03561	8.1
187.07570	1.5
203.03448	1.5
220.76566	1.2
221.04556	4.8
267.49170	1.2
269.04504	2.7
281.06735	1.4
287.05606	34.8
288.06000	1.3
323.07715	43.9
373.70789	1.7
449.10849	12.8
475.09094	2.4
501.10318	3.9
611.14063	71.8
612.14337	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	611.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
59.01377	8.5
59.67540	0.5
61.98823	3.4
63.02400	2.0
65.00314	1.2
68.99804	0.5
69.18980	1.3
69.19379	1.0
71.01363	1.2
71.86934	0.4
81.03441	0.6
83.01369	1.3
85.02914	0.5
86.80801	0.4
88.45753	0.4
88.98804	0.5
89.02400	1.0
90.38455	0.4
93.03444	1.4
95.34596	0.4
96.95998	0.5
98.22687	0.8
101.02429	0.9
105.03441	0.7
107.01389	3.4
108.01738	0.4
109.02931	1.4
109.53760	0.4
117.03466	4.9
117.23492	0.5
119.05029	0.5
121.02138	0.6
121.02964	7.5
122.03728	0.6
123.04531	3.6
125.02438	3.9
132.02063	0.4
133.02953	5.8
135.04518	4.5
137.02438	1.1
139.04016	1.0
145.02931	2.1
149.02452	5.0
149.05968	0.5
151.00363	6.3
151.03969	0.6
159.04477	1.4
161.02435	5.1
162.02895	0.5
163.04028	1.6
167.03487	3.4
169.06569	1.0
171.04514	0.5
173.04604	0.5
175.04012	1.9
176.04692	0.6
177.05627	0.7
179.03496	3.5
181.06645	0.6
183.04565	0.7
185.06166	0.8
191.05637	1.5
194.05646	0.9
197.05992	0.6
199.04033	1.4
199.08202	0.4
201.01967	0.7
201.05568	0.7
205.09886	0.5
207.02953	1.2
208.03796	0.6
209.04536	3.3
209.08167	4.1
211.04051	0.5
217.04948	0.7
221.04547	0.8
225.05621	1.7
227.03633	0.8
233.04454	0.8
237.05516	0.7
239.03467	1.6
239.05608	1.6
241.05074	0.9
243.02979	0.5
251.05644	4.9
253.04961	0.7
256.03818	0.8
268.03726	1.1
269.04538	100.0
270.04919	3.2
281.04300	3.5
281.07166	0.8
284.03244	16.3
285.04031	71.3
286.04343	3.3
287.05426	1.0
311.07809	6.0
323.07956	0.8
327.05157	0.5
341.08780	7.9
447.09314	4.3
449.08777	4.8
455.27713	0.4
489.10400	18.6
490.10818	0.6
517.09644	1.5
581.12982	3.2
593.12964	23.4
594.13129	1.3
611.14105	7.9
611.24579	1.7
611.34296	0.6
612.14557	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.19
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	4.0
61.98822	11.6
65.64450	3.8
68.99803	13.4
71.01406	5.4
78.95887	6.8
80.96503	19.3
85.02969	6.2
91.01855	4.1
93.03443	15.5
101.02443	17.7
107.05038	14.7
121.02974	13.9
134.44679	3.7
148.05316	41.8
151.00316	7.0
151.04031	4.9
161.02434	6.4
163.07664	24.0
173.04584	4.5
179.03485	10.9
191.05551	13.6
207.95451	4.7
225.00679	4.7
284.03073	4.7
285.04068	9.5
505.17178	100.0
506.17340	6.0
573.02954	4.7
611.13013	8.7
611.27271	34.0
611.37671	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	611.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.8
57.04199	1.5
59.01380	77.3
59.66161	1.7
60.99297	3.2
61.98838	15.5
65.00310	4.4
67.01871	1.7
69.03451	5.3
69.43551	6.5
71.01383	44.6
73.02940	7.3
74.93395	1.7
79.96970	1.6
81.03439	3.0
82.94305	1.6
83.01404	5.9
85.02958	11.3
87.00884	5.6
87.79044	1.6
88.98820	10.2
89.01920	3.5
89.02445	39.0
93.03461	33.5
95.01392	2.8
97.02943	3.7
98.22704	2.7
98.34512	1.7
99.00887	2.9
99.39129	1.6
101.02447	31.9
107.01405	8.5
107.05025	1.6
109.02987	2.2
113.02436	16.7
116.92851	1.8
119.03514	22.2
119.05005	3.4
120.19447	1.5
121.02962	100.0
122.03277	1.9
125.02467	27.5
131.03505	5.1
133.02969	10.2
134.03719	2.3
135.04526	38.8
136.04878	1.7
137.02452	28.5
139.03969	2.2
143.03519	8.5
149.04576	2.6
151.00388	32.3
152.00708	2.7
155.03529	2.8
159.04604	1.9
161.02440	32.4
161.04549	7.0
162.02835	1.7
163.03984	1.9
165.05534	2.0
170.64594	1.9
173.04568	6.3
173.68532	1.7
175.03947	1.8
177.05551	2.9
177.07057	1.7
179.03502	19.0
179.05612	14.9
187.07683	3.4
187.09358	1.9
191.05627	25.0
197.06071	3.9
199.07677	1.9
214.47408	1.7
217.05075	2.8
220.50238	1.5
221.04614	3.5
221.06601	14.4
227.07094	20.0
263.07663	5.2
269.04660	4.6
273.00146	1.6
275.09329	2.8
281.06598	2.6
284.03351	2.6
285.04044	25.6
286.04352	20.0
287.04898	17.8
323.10190	38.7
346.87491	1.7
353.08804	10.5
354.08789	1.7
443.11914	13.5
445.13397	7.5
449.15121	3.5
549.16809	2.8
551.31665	3.1
554.31128	2.5
593.23334	2.1
611.13422	44.8
611.22791	3.8
611.35992	8.0
612.13934	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29199	1.0
57.45345	1.2
59.01378	14.7
61.98817	6.8
67.01886	14.9
68.99485	1.7
68.99819	21.7
69.03449	1.6
71.01393	11.4
71.43443	1.2
73.02944	2.6
73.18388	1.2
85.02950	3.2
87.00892	1.4
88.98783	2.0
89.02463	9.0
93.03449	1.2
95.01402	1.7
95.08343	1.2
96.96013	10.7
97.02957	1.6
99.00859	1.2
101.02445	76.2
109.02954	1.1
112.64423	1.3
113.02427	4.0
115.97775	1.0
116.92867	3.8
119.03497	3.2
121.02940	3.2
127.04015	54.9
135.04529	3.4
136.01668	4.9
149.04578	2.0
150.03236	3.8
151.00418	2.2
151.04036	10.5
161.02417	2.3
161.04509	1.2
165.05516	3.6
173.04584	1.2
179.05635	1.8
182.43886	1.1
191.05559	7.8
195.06596	2.0
209.04547	1.3
209.08076	1.6
215.01468	1.1
227.09250	100.0
228.09392	2.0
242.56172	1.6
287.05609	1.3
313.33884	1.4
357.99374	1.2
371.20465	1.6
449.10831	3.3
496.66342	1.4
538.42542	1.2
551.19598	7.4
551.27051	5.6
563.20959	4.0
611.18665	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	611.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72346	1.7
59.01378	40.2
60.99307	2.2
61.98824	3.6
67.01898	12.0
68.99812	23.3
69.03450	4.4
70.47863	1.5
71.01385	26.8
71.47498	1.8
72.99303	9.5
73.02946	6.3
76.31245	1.5
83.01396	3.4
85.02924	8.5
87.00890	3.5
88.98802	19.2
89.02448	28.6
90.99236	1.6
91.00320	1.5
91.61209	1.4
95.01389	2.2
95.05090	1.7
96.96009	6.0
97.02938	2.1
99.00902	4.0
101.02444	100.0
107.27149	1.9
109.02979	3.0
111.00880	2.7
113.02448	10.9
119.03510	9.7
121.02981	3.1
123.04535	2.7
127.04019	44.5
131.03458	2.5
133.02956	7.7
135.04533	6.1
137.02478	3.3
146.03743	6.8
149.04535	2.7
150.03246	4.4
151.00316	3.0
155.03470	2.4
157.05090	4.3
161.02449	19.9
161.04543	5.5
161.05957	2.1
164.04749	2.2
165.05591	6.6
165.49944	1.7
177.05556	3.7
179.05606	16.7
179.07138	9.4
187.03902	1.6
191.05608	14.1
195.06520	2.0
209.08223	2.8
221.06567	2.4
227.09251	82.5
228.09546	1.9
247.23039	1.8
257.92114	1.7
311.09891	2.0
317.06540	1.7
353.10699	2.5
389.14496	3.1
426.25931	1.6
449.10867	4.6
454.46878	1.8
495.77567	1.8
551.19653	36.1
551.27130	15.9
567.27393	2.5
611.19403	13.3
611.29065	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	611.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.7
58.58696	1.4
59.01379	67.3
61.98830	3.0
63.79546	1.4
65.00315	2.8
71.01383	13.9
71.49023	1.7
73.02942	1.7
83.01399	2.9
85.02947	2.9
88.98772	2.2
89.02428	9.1
99.04522	5.4
101.02448	11.4
105.34519	1.6
107.01390	4.5
107.05012	2.1
109.02935	2.0
113.02448	4.5
125.02450	6.8
125.79095	1.4
133.02968	23.0
134.03725	6.7
135.04530	90.3
136.04866	3.0
137.02483	2.4
148.05321	2.0
149.06088	12.7
151.00392	19.5
161.02444	100.0
161.04567	2.7
162.02766	2.7
165.12823	3.2
173.04558	1.5
175.04007	2.2
177.05577	25.0
179.03497	90.7
180.03885	3.3
191.05650	4.5
203.03558	2.8
207.13873	6.5
209.11848	18.0
221.04530	42.5
225.14972	6.7
235.15242	1.9
251.05623	27.0
251.12898	4.0
252.05882	2.2
269.13940	33.4
281.06659	49.3
282.06982	2.1
285.04013	4.1
287.05487	8.6
323.07733	10.2
341.08765	42.1
389.26932	9.6
449.10559	3.5
449.20251	65.4
450.20746	4.5
474.53809	1.7
518.81207	1.5
549.15839	2.3
551.22815	2.6
551.32141	22.5
593.22235	2.8
611.13837	20.5
611.23444	100.0
612.23517	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	611.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19444	2.1
59.01116	3.4
59.01382	47.3
69.17550	10.0
71.01365	9.3
83.86256	1.9
85.02929	2.1
86.68761	2.0
89.02429	9.1
98.21925	4.3
99.04488	4.1
101.02422	6.5
113.02456	3.2
118.89954	1.9
133.02969	23.7
134.03723	4.3
135.04530	77.3
136.04764	2.6
137.02356	3.2
149.06111	14.5
161.02446	89.6
162.02704	3.6
177.05559	31.0
179.03502	87.4
207.13837	8.3
209.11824	22.1
221.04539	40.3
225.14912	7.7
251.05594	26.0
251.12805	6.0
269.13928	39.9
281.06677	40.5
285.04117	14.3
286.04364	7.3
287.04568	3.8
323.07620	2.9
341.08765	41.2
449.20343	65.6
449.26132	2.8
450.20493	3.3
593.21368	2.1
611.13135	12.4
611.23236	100.0
612.23718	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	611.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59379	0.6
55.01869	0.7
57.03458	1.0
58.00589	1.2
59.01377	78.7
69.50281	2.5
71.01378	32.2
72.99310	0.7
73.02954	1.4
78.01780	0.6
83.01389	1.4
83.78105	0.6
85.02953	7.4
87.00871	1.1
88.98812	1.1
89.02443	28.7
95.01416	2.7
95.73383	0.6
98.03738	1.2
98.21915	1.3
98.62974	0.6
99.04517	27.7
101.02442	13.3
111.04549	1.5
113.02444	9.7
119.03498	9.2
121.06631	1.3
131.03526	0.7
161.04576	0.7
163.14983	0.7
173.04524	1.8
173.18326	0.6
179.05637	1.2
189.12833	6.7
199.38524	0.6
207.13889	40.9
208.14261	1.1
209.11885	1.2
233.11812	1.6
251.12869	74.6
252.13200	2.8
269.13913	2.7
271.77600	0.7
296.32950	0.6
303.22876	0.6
326.45056	0.7
347.16882	1.0
358.98331	0.6
431.19193	87.4
432.19446	3.2
436.94489	0.8
449.20319	2.4
521.22400	1.5
611.25549	100.0
612.26477	3.7
614.38214	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67320	1.3
54.18608	1.1
57.03434	1.1
58.02451	1.0
59.01352	1.3
60.50013	1.0
61.98812	1.5
71.01374	1.9
74.70749	1.0
78.95905	53.6
86.56181	1.0
96.96957	9.2
113.09738	2.4
135.04514	1.8
152.99583	61.2
171.00690	1.8
177.12718	1.5
191.05568	1.8
195.13924	18.2
209.35516	1.1
223.00058	5.5
241.01172	20.8
259.02237	2.0
277.21750	11.7
285.04004	2.4
286.04388	1.9
295.22766	50.7
296.23190	2.1
315.04871	9.0
343.08496	1.0
430.01074	1.2
500.27426	1.2
568.68396	1.2
611.28369	100.0
612.28735	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	611.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
57.03449	2.4
59.01380	100.0
61.98830	5.1
65.00329	4.5
67.50343	0.8
68.99836	0.9
69.03455	1.7
71.01380	16.7
72.99307	0.9
73.02953	6.7
83.01381	5.5
83.69727	0.6
85.02952	8.8
87.00935	1.1
88.98806	5.0
89.02447	6.2
93.03486	1.4
95.01404	1.9
95.05014	0.6
99.00909	1.9
99.04536	3.3
101.02445	18.6
101.03085	1.0
105.03549	0.6
106.20077	0.6
107.01397	6.5
107.05022	0.7
109.02985	2.7
113.02448	7.2
117.03506	1.1
119.03545	1.2
121.02971	1.2
123.04488	0.9
125.02444	9.6
125.03314	0.9
132.02180	0.9
133.02963	21.4
134.03777	5.9
135.04533	75.7
136.04907	1.9
137.02431	1.7
148.05284	3.0
149.06082	9.2
150.03247	0.8
150.99156	1.5
151.00380	26.0
152.00771	0.6
154.02844	0.7
155.03552	1.6
159.03148	1.0
159.04478	1.4
161.02455	77.9
161.04616	4.7
162.02846	2.7
165.02014	0.9
165.12852	1.3
173.04614	1.5
175.04018	0.8
177.02042	1.8
177.05586	17.8
178.02740	1.1
179.03510	59.8
180.03931	2.0
187.04097	0.9
191.04135	0.7
191.05568	3.4
199.09787	3.0
201.05727	0.9
203.03543	2.2
207.13901	4.6
209.11830	12.2
209.13698	0.9
210.12120	0.8
212.54504	0.7
221.04549	25.1
222.04900	0.8
225.15015	2.6
231.10417	1.0
243.06491	0.9
251.05640	17.6
251.12944	2.7
263.05643	0.8
269.04663	1.8
269.13925	22.1
270.14343	0.8
281.06677	30.9
282.07098	1.6
285.04065	4.4
286.04425	3.4
287.05609	10.8
288.05960	0.7
323.07712	12.4
330.00790	0.7
336.32101	0.7
341.08795	23.8
342.09253	1.0
371.25854	0.8
389.26950	21.2
390.27560	1.3
449.10986	3.3
449.20306	36.0
450.20828	1.8
485.11343	1.8
549.16083	3.4
551.23242	1.7
551.32239	54.3
552.32697	4.5
593.22693	1.4
611.14093	19.7
611.23840	61.5
611.34290	2.2
612.14581	2.7
612.24152	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	612.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36719	0.2
59.01377	1.8
59.42117	0.1
61.98829	100.0
66.50757	0.1
69.20029	0.9
71.01377	0.6
88.30275	0.2
89.02452	0.7
98.08311	0.1
98.21819	0.3
101.02443	0.3
103.60654	0.1
113.02455	0.2
119.03532	0.2
124.07761	0.1
135.11772	0.1
136.15985	0.2
151.03983	0.2
155.03435	0.1
161.02469	0.2
191.05624	0.3
274.23541	0.2
416.15359	0.2
550.25989	0.3
551.25983	0.3
552.26343	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	612.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44998	0.1
59.01371	0.6
61.98828	100.0
69.03511	0.1
69.17867	0.7
71.01395	0.3
73.04557	0.1
87.56618	0.1
89.02458	0.2
101.02439	0.2
107.36287	0.1
113.02482	0.1
133.02980	0.3
135.04558	0.2
139.46919	0.1
152.01080	0.1
161.02472	0.4
179.03491	0.1
191.05611	0.3
205.62415	0.1
227.07147	0.3
248.35187	0.1
269.04550	0.9
270.04929	0.2
271.05246	0.1
285.04044	0.9
286.04514	0.4
287.04617	0.4
288.04855	0.2
549.23663	0.2
552.30914	0.5
612.13312	0.7
613.21655	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44998	0.1
59.01371	0.6
61.98828	100.0
69.03511	0.1
69.17867	0.7
71.01395	0.3
73.04557	0.1
87.56618	0.1
89.02458	0.2
101.02439	0.2
107.36287	0.1
113.02482	0.1
133.02980	0.3
135.04558	0.2
139.46919	0.1
152.01080	0.1
161.02472	0.4
179.03491	0.1
191.05611	0.3
205.62415	0.1
227.07147	0.3
248.35187	0.1
269.04550	0.9
270.04929	0.2
271.05246	0.1
285.04044	0.9
286.04514	0.4
287.04617	0.4
288.04855	0.2
549.23663	0.2
552.30914	0.5
612.13312	0.7
613.21655	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99821	0.2
59.01377	0.7
61.98830	100.0
68.99820	0.2
69.03428	0.2
71.01380	0.6
89.02460	0.3
91.65772	0.2
95.05037	1.2
101.02479	0.8
111.00919	0.3
119.05107	0.3
121.02955	0.4
123.04544	0.3
125.02483	1.2
127.04049	0.7
133.02898	0.9
135.04501	0.3
139.00430	0.8
139.03992	0.4
144.53903	0.2
150.03288	0.2
151.00383	0.2
157.97823	0.2
161.02457	2.9
165.01933	0.6
165.34404	0.2
167.03568	0.6
179.03551	0.4
180.04303	0.3
191.05659	0.5
195.06653	0.7
225.07735	0.3
234.14232	0.2
241.07393	0.5
281.04318	0.4
282.05014	0.2
284.03375	0.4
285.03995	1.5
286.04352	1.3
307.91806	0.2
447.09534	0.3
448.09988	0.9
449.08618	0.3
450.08807	1.0
490.11090	0.3
523.33380	0.2
549.23358	2.2
549.30841	0.2
550.23749	0.3
552.30182	0.5
594.14069	0.3
612.14746	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.3
65.68875	0.1
68.99815	0.2
69.18186	0.6
71.01382	0.2
75.00898	0.1
79.95740	2.6
85.02966	0.2
87.00879	0.1
88.98804	0.5
89.02435	0.2
93.03453	0.2
96.96007	100.0
97.95954	0.2
101.02419	0.1
128.68724	0.1
133.02917	0.2
134.03764	0.1
135.04509	0.7
145.05293	0.1
155.03539	0.2
161.02452	0.5
173.04562	1.0
177.26308	0.1
179.03450	0.7
191.05653	0.5
203.03511	0.1
239.42758	0.1
269.04599	0.4
274.06714	0.1
353.08716	1.1
433.09232	0.1
515.11877	0.6
545.35999	0.1
553.06885	0.2
613.34467	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.3
60.53950	0.1
61.98822	0.3
68.99820	0.2
69.03457	0.4
71.00483	0.1
71.01378	1.5
72.37650	0.1
73.02928	0.3
75.00869	0.7
79.95734	2.4
85.02940	0.5
87.00857	0.3
88.98788	0.8
89.02443	1.6
90.02757	0.2
93.03459	0.6
95.01369	0.2
96.96007	100.0
99.92535	0.2
100.62666	0.1
101.02436	0.8
101.40623	0.2
104.78411	0.1
107.01422	0.2
107.71997	0.1
109.71507	0.1
113.02450	0.4
119.03469	0.5
127.04015	0.3
133.02980	0.5
134.03671	0.2
135.04526	2.0
150.03238	0.2
151.00348	0.6
161.02464	1.3
161.04639	0.2
161.06059	0.7
165.04092	0.2
165.05486	0.2
173.04553	0.3
176.93231	0.1
179.03510	2.4
179.05573	0.5
190.50613	0.1
191.05598	4.4
202.64354	0.3
234.99232	0.4
238.60481	0.1
240.08105	0.2
255.10417	0.8
262.96503	0.2
299.09189	0.3
315.36453	0.2
341.08624	0.2
353.04413	0.1
353.08716	4.7
354.09012	0.2
371.10388	0.2
433.09360	0.3
442.28482	0.2
451.10135	1.0
515.11920	0.4
553.06610	0.7
613.15942	0.5
613.26141	0.2
613.34540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35419	0.4
56.59294	0.4
57.01516	0.4
59.01384	2.9
60.01748	0.5
61.98828	3.1
63.02398	1.1
71.01375	1.4
73.02956	0.5
80.91710	0.5
85.02934	1.3
87.00837	0.7
89.02447	0.8
93.03467	1.0
93.85437	0.6
101.02456	2.3
103.01547	0.5
105.03483	0.5
107.01390	1.6
117.03473	6.4
119.05007	2.0
121.02965	0.6
125.02444	0.6
133.02982	1.2
134.03758	0.7
135.04500	1.5
137.02438	1.7
145.02948	12.5
149.02396	1.5
150.03210	1.0
151.00356	2.5
151.04074	0.6
155.03514	0.9
159.04529	1.3
161.02417	3.4
163.03984	0.9
165.01917	1.7
165.05501	1.1
173.04515	0.8
179.03490	1.4
180.04294	1.6
181.05043	0.8
181.06496	0.8
183.04549	0.6
185.02197	0.4
191.05582	2.9
195.06541	2.7
196.05338	0.7
201.05534	0.8
203.17876	0.4
209.12228	0.5
225.05507	1.4
225.07730	1.4
255.02927	1.6
268.03775	2.2
269.04538	100.0
270.04913	3.2
284.03345	0.8
285.04031	1.5
307.08340	0.7
384.10663	0.5
387.14581	0.7
417.15518	0.9
431.09860	0.8
446.08450	1.7
468.91406	0.5
552.32288	1.0
553.32684	0.8
565.20886	1.2
577.13531	41.5
578.13629	3.3
612.33386	1.0
613.19299	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1923
Annotation	Resinoside A
Peak:m/z	Relative Intensity
59.01380	1.6
61.98821	1.9
62.34289	0.3
63.02408	1.0
65.00340	1.0
68.99812	0.4
69.03443	0.4
69.38980	1.5
82.95422	0.4
83.01383	1.3
84.71311	0.3
85.02940	0.7
89.02439	0.7
91.52428	0.3
93.03461	0.8
95.01407	0.7
96.96017	0.4
97.02983	0.6
98.21821	0.5
101.02438	1.4
107.01382	2.2
109.02959	0.5
113.02447	0.9
121.03006	0.6
123.04530	0.5
125.02414	0.3
125.60410	0.3
132.02234	0.4
133.02951	4.7
134.03700	1.0
135.04536	0.9
139.04086	0.3
145.02910	0.5
149.02422	1.0
151.00375	3.9
153.05670	0.4
155.03482	0.6
161.02484	1.0
173.04526	0.3
175.04012	1.7
179.03471	0.5
183.04527	0.3
191.05632	1.3
199.03973	1.2
200.04768	0.7
201.02000	0.5
211.04013	0.9
213.05518	0.7
215.03517	0.5
217.04997	0.7
227.03470	1.4
240.77026	0.4
241.05075	0.6
255.03079	1.9
256.03799	3.3
257.04285	0.5
269.04501	2.2
283.02512	1.6
284.03256	48.1
285.04031	100.0
286.04449	3.0
297.03964	1.0
313.03592	1.4
327.05035	1.1
429.08359	0.7
447.09125	0.9
479.21255	0.8
527.11688	1.0
542.14026	0.5
577.13385	0.6
584.90436	0.3
613.19238	75.8
614.19379	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	613.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.4
61.98826	1.5
63.02383	1.2
65.00334	0.7
68.99803	0.3
69.03447	0.3
70.75736	0.3
71.01380	0.6
73.02933	0.3
77.71493	0.2
82.95419	0.5
83.01422	0.2
85.02940	0.5
87.00857	0.2
87.04498	0.3
88.92197	0.2
89.02451	0.5
93.03458	0.5
95.01363	0.3
97.02945	0.3
101.02439	1.1
107.01396	1.6
113.02442	0.2
117.03455	3.2
121.02963	0.4
123.04520	0.5
126.74397	0.2
133.02975	0.3
133.96844	0.2
135.04510	0.8
137.02473	0.3
137.09700	0.4
145.16185	0.2
149.02388	0.9
150.03174	0.2
151.00348	1.6
151.07516	0.2
155.03551	0.9
155.04744	0.2
155.10780	2.0
155.86043	0.2
157.06575	0.2
159.04556	0.9
161.02441	1.3
165.05534	0.2
169.06551	0.4
173.04539	0.5
179.03394	0.4
181.06586	0.6
181.08774	0.2
183.04471	0.5
187.51862	0.2
191.05653	0.5
196.05330	0.3
197.06087	0.6
199.04031	0.3
199.09764	3.6
201.05571	0.4
211.13449	0.3
213.05476	0.2
224.04822	0.4
225.05603	1.2
225.07582	0.2
227.03473	0.6
241.05080	0.2
241.10817	1.2
253.10901	0.3
255.12430	0.3
268.03760	0.7
269.04532	100.0
270.04880	3.3
271.06140	0.3
283.11835	2.2
284.03250	0.5
285.04166	0.9
287.05801	0.3
302.32990	0.2
343.13956	1.9
384.11005	0.3
415.14041	0.4
577.13696	0.4
613.18481	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	613.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27740	10.0
55.85704	10.8
59.01374	11.6
61.82719	11.0
61.98821	29.4
68.99816	24.2
71.01372	19.0
88.86427	11.6
93.03423	17.5
95.31857	10.7
96.96011	19.9
97.14771	11.4
98.22632	19.3
99.23274	10.1
101.02419	24.3
107.04961	12.3
121.02941	11.6
130.28174	11.2
133.06598	24.9
148.05254	12.6
151.04021	13.2
153.05511	11.4
165.32845	9.9
179.03494	22.7
191.05659	13.8
204.73744	11.1
213.65559	11.3
269.04446	13.0
404.41779	10.4
443.17603	13.2
475.15955	100.0
505.17053	46.1
613.27826	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	613.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44596	0.3
57.03437	0.8
59.01384	1.5
69.64456	0.8
69.64793	0.6
89.42430	0.3
95.05022	5.9
96.56713	0.3
99.08155	0.3
102.31232	0.3
113.09718	2.4
113.26911	0.3
125.09691	0.4
177.12805	0.7
179.14380	1.3
181.12392	0.5
195.13895	16.0
197.96204	0.3
204.56499	0.3
215.10417	0.6
217.12018	2.2
235.13107	0.3
237.14751	1.4
246.12341	1.9
247.13167	0.4
249.22249	1.2
277.21710	14.7
278.11395	4.8
278.22058	0.5
281.14005	0.3
295.22757	100.0
296.23099	3.6
299.19955	0.6
315.19434	1.4
317.20947	49.3
318.21295	1.6
336.83167	0.3
361.19815	1.8
362.20596	0.4
464.32693	0.3
613.44354	22.5
614.20850	0.4
614.44794	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	615.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56971	1.4
54.43354	1.2
59.01381	20.3
60.59851	1.2
61.98832	14.3
67.38787	1.7
71.01377	12.8
73.02938	1.8
75.00851	2.0
85.02951	4.7
89.02456	10.4
93.03460	1.8
96.96005	5.2
97.02961	1.5
101.02454	9.0
106.96061	1.6
107.01470	1.4
109.02950	2.7
110.83709	1.5
113.02438	5.2
119.03498	4.1
119.05025	2.6
121.02942	1.6
123.04498	2.1
127.04008	2.3
133.02943	5.0
134.03777	1.8
135.04527	3.3
137.02493	1.8
149.02434	2.0
149.06029	1.9
150.03198	8.5
151.00359	5.6
161.02440	9.3
161.04549	3.5
165.01846	1.7
165.05566	6.0
167.03389	2.7
173.04556	1.9
179.03500	4.3
179.05547	2.9
191.05612	8.4
194.06004	1.7
195.06671	5.1
227.09242	2.5
239.07053	2.1
269.04486	3.1
284.03323	4.9
285.04034	10.6
299.05576	2.7
303.08102	2.0
312.54269	1.7
391.08179	2.8
409.13153	1.8
417.24933	6.9
419.13260	2.3
435.10925	3.0
498.55063	1.6
552.18274	3.8
577.29004	2.4
579.30206	100.0
580.30432	9.4
615.19299	4.1
615.27844	75.0
616.28241	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	615.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29583	2.1
57.03437	3.3
59.01393	4.3
60.24790	2.3
62.19550	2.4
64.03246	2.4
69.25010	7.1
69.25417	5.2
74.23853	2.6
79.98067	2.4
80.96497	4.2
81.03426	4.4
83.05022	4.2
92.92793	4.8
95.05000	3.9
97.06587	4.5
98.22149	10.3
105.94230	2.3
106.04171	2.2
109.06580	2.6
119.16641	2.4
123.04556	3.9
125.09722	13.0
131.04974	2.9
135.08147	3.4
137.09776	4.6
141.05519	2.3
153.09259	7.2
160.84236	3.0
162.01265	2.5
162.83858	4.2
163.11287	8.3
165.12793	3.5
171.10284	12.4
181.12328	2.9
185.11829	11.1
191.14359	9.1
207.10289	7.3
209.11838	30.6
211.13571	3.0
225.11295	7.4
245.19133	19.7
272.00055	3.0
287.16519	3.2
289.18063	100.0
289.21277	5.6
290.18436	3.9
305.17557	12.1
307.19138	97.7
309.20782	4.1
323.18600	6.8
325.20151	31.2
481.29474	2.7
555.28558	4.6
597.37708	11.8
597.98230	2.5
615.41296	11.4
616.17432	3.7
639.33942	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98153	1.0
57.03453	1.7
57.14024	1.0
59.01377	2.2
70.37598	1.3
70.37915	1.7
71.05037	2.2
78.95898	5.9
81.03470	1.5
83.05026	1.8
86.50875	1.0
95.05045	1.4
97.06567	1.7
98.22681	1.4
106.04301	1.5
109.06595	5.9
111.04523	2.9
123.04530	1.7
125.09731	4.7
127.07639	2.8
135.08183	3.4
137.09682	1.9
141.05589	2.3
145.06612	1.2
151.11264	1.2
152.99620	1.3
153.09219	6.8
154.89822	2.7
163.11299	3.7
167.10768	1.8
170.89325	11.3
171.10268	7.9
172.91119	1.0
177.12831	1.7
179.10754	1.5
181.12285	1.2
185.11859	4.3
188.90344	1.2
191.14429	4.5
195.13870	1.3
207.10251	2.3
209.11845	5.1
225.11301	2.5
226.91983	2.0
235.13705	1.0
244.93063	1.8
245.19121	12.1
271.16949	2.3
287.16476	2.1
289.18109	100.0
290.18439	4.9
307.19159	61.6
308.19559	4.4
318.96622	10.3
325.20200	21.2
353.57050	1.1
443.28186	1.3
518.69940	1.1
579.37128	2.3
597.37939	1.9
615.39545	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	617.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53111	1.0
59.01384	16.7
69.03455	26.4
71.01389	8.2
85.02927	1.7
88.93947	1.1
89.02449	9.0
93.03454	3.4
95.05041	2.4
96.96013	8.4
97.02956	100.0
98.03223	1.1
98.21850	4.0
101.02442	4.8
105.03480	3.1
113.02441	3.2
119.03514	3.6
121.02943	2.5
121.06599	1.3
123.04530	43.7
124.04841	1.2
136.16177	1.0
149.06091	8.7
159.72327	1.3
167.07138	31.4
168.07489	1.3
179.05638	2.4
193.05064	13.0
195.02937	1.2
199.09773	1.6
243.08711	2.6
315.12943	1.2
357.76184	1.1
367.62564	1.2
373.11389	35.7
374.11722	1.6
457.13345	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98830	3.8
63.55214	2.1
66.91746	1.8
75.00867	2.1
78.95924	3.3
82.95410	3.9
96.96004	19.0
98.22609	4.1
103.01501	77.0
112.05260	1.8
137.74725	1.9
152.99519	2.9
271.72202	2.0
281.47031	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36046	2.0
57.03436	3.3
59.01360	6.1
62.92379	2.0
68.27747	2.3
69.03442	2.0
70.45053	2.8
77.66419	2.3
78.95908	7.5
81.03454	3.0
94.92500	3.2
95.05022	3.8
96.95992	4.7
97.02959	6.5
97.06627	3.3
98.21947	2.9
111.04517	3.3
123.04514	3.9
123.08178	4.7
125.02441	6.5
125.09667	6.6
127.11267	3.6
137.09756	4.8
141.05550	3.6
141.12796	2.8
152.99553	3.4
153.09183	9.6
154.89955	2.9
155.10745	4.0
163.11281	4.5
165.12833	7.3
167.03586	2.5
170.89307	8.7
171.10229	21.8
181.12393	2.9
185.11880	12.1
191.14334	6.3
197.11768	8.7
209.11823	6.6
225.11253	3.4
226.91968	2.9
245.19153	17.1
247.20625	5.1
255.23087	5.8
289.14874	4.9
289.18100	84.2
290.18369	3.6
291.19693	29.8
300.95462	2.7
307.19147	100.0
308.19449	4.5
309.20703	51.2
310.20987	2.9
318.96646	7.1
325.20181	31.8
327.21643	5.7
337.63599	2.4
362.22202	2.5
399.76334	2.5
581.38171	4.0
599.39764	6.0
617.40894	6.5
645.96979	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	617.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.6
59.01360	3.6
61.98815	1.8
69.24935	4.5
78.95891	3.4
80.02675	1.1
81.03436	2.3
82.95425	1.0
83.05018	1.9
94.92454	1.0
95.05013	2.6
97.02947	3.2
97.06570	2.7
98.21799	1.5
104.26255	0.8
111.08166	8.0
112.05302	1.0
114.93665	0.8
121.06605	1.3
123.04514	2.7
123.08178	2.3
125.09724	5.4
127.07686	1.4
135.08153	2.6
137.09743	2.6
141.05573	3.8
141.09164	1.2
141.12808	1.1
151.11269	1.3
153.09236	9.9
154.89803	1.4
161.09718	0.9
163.11292	5.6
165.09256	1.0
165.12778	1.1
169.12317	3.4
170.89310	3.9
171.10251	12.3
177.12820	1.2
179.10710	1.4
181.12245	1.2
185.11873	6.4
185.13307	1.3
191.14397	7.7
197.11832	35.9
207.10292	4.5
208.93378	0.9
209.11832	5.7
211.13420	4.0
225.11273	4.0
226.91980	1.0
227.12874	0.9
243.17456	1.6
245.19096	17.9
255.23308	1.3
263.20096	2.6
265.18192	1.3
268.03760	3.9
271.17114	1.4
289.18100	77.4
290.18375	2.9
291.19672	6.8
307.19144	100.0
308.19492	5.1
309.20712	28.3
310.21259	0.9
318.96591	3.4
325.20187	29.5
326.20590	1.4
497.89291	0.9
581.38275	3.5
599.39307	4.8
617.30933	4.1
617.40784	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	617.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.9
59.01355	3.6
61.98822	2.0
70.23888	1.2
70.47944	2.6
76.59344	1.1
78.95911	3.8
79.72223	1.3
80.02661	1.7
81.03434	1.7
83.05030	2.3
83.25172	1.2
84.26799	1.2
94.92530	2.7
97.02980	2.5
97.06570	3.6
106.04250	1.9
109.06600	2.1
110.03717	2.1
111.08138	8.5
122.92664	1.4
123.04510	2.3
123.08118	2.8
125.09698	5.6
135.08115	3.3
137.09706	3.0
141.05537	4.8
141.09238	1.7
153.09239	8.0
154.89793	2.7
163.11284	4.8
169.12312	4.2
170.89299	6.0
171.10252	12.5
179.10706	1.7
181.12317	1.5
185.11842	7.6
191.14423	8.1
197.11823	31.2
197.13640	1.5
207.10260	3.3
209.11798	6.5
211.13419	6.4
225.11226	3.4
227.12726	1.8
245.13664	1.6
245.19127	17.5
248.54172	1.4
255.23293	3.2
263.20145	3.6
265.18088	1.6
268.03806	2.6
271.17148	2.0
289.18091	74.8
290.18478	2.9
291.19543	6.6
307.19153	100.0
308.19485	4.6
309.20737	39.2
310.21103	1.8
318.96652	4.2
325.20175	31.1
410.66776	1.5
427.28534	1.4
445.29419	1.7
459.20047	1.5
581.38367	4.2
599.39606	4.5
617.31201	2.1
617.40485	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11871	0.6
59.01377	2.4
61.98832	0.7
62.07977	0.5
68.99821	0.6
69.82805	1.2
69.83160	1.2
71.01378	12.5
72.99299	1.8
73.02912	0.5
85.02929	1.0
87.00883	1.0
89.02457	2.6
93.03416	0.8
96.96000	7.4
96.96980	0.7
99.00883	0.5
101.02414	1.4
107.95486	0.5
109.02936	0.7
111.00922	0.6
111.74231	0.6
113.02441	0.8
115.00370	25.8
116.92884	0.6
117.03468	1.7
121.03012	0.6
123.04527	0.7
132.02165	1.1
133.01424	29.9
133.02962	15.5
134.03700	2.1
135.04523	100.0
136.04837	1.7
137.02399	0.7
139.96249	0.5
149.02472	0.9
150.03273	2.7
150.04259	0.6
153.00110	0.5
161.02438	76.3
162.02791	1.9
164.75702	0.5
165.01849	0.7
165.05559	2.2
167.03473	1.3
173.04497	0.7
177.05563	2.0
179.03482	23.9
179.07037	0.7
191.05571	1.1
195.06602	2.0
203.03465	0.8
204.32288	0.6
215.36522	0.6
221.04509	2.1
227.09329	0.7
258.21976	0.7
263.05472	0.6
263.11084	0.6
297.09821	4.2
309.67657	0.6
323.07718	20.6
343.11533	0.5
354.66211	0.6
404.14160	0.6
459.12955	88.7
460.13293	4.6
478.15692	0.6
485.10901	6.9
503.11972	4.7
619.16760	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	619.2556
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
56.94947	0.6
70.25673	0.5
98.22092	0.8
105.99384	0.5
134.66293	0.5
382.66336	0.6
401.13678	2.6
415.15817	2.6
416.16412	14.2
417.16797	1.3
420.56387	0.6
429.17056	1.5
430.18002	3.2
431.18558	2.0
434.17651	1.4
444.15784	1.8
445.16400	0.9
458.17572	1.3
459.18259	100.0
460.18625	8.3
471.82568	0.6
472.18845	0.8
473.19843	15.7
474.20490	6.2
499.18008	0.7
501.19186	1.9
503.17389	2.2
517.18646	1.6
518.19537	43.8
519.19739	4.0
531.20514	0.7
532.21228	7.2
533.21924	85.1
534.22229	8.2
587.22925	6.4
619.25592	95.4
620.25830	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	619.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85970	44.1
61.98825	68.6
70.96735	56.0
78.95895	100.0
79.45329	40.7
89.50185	47.2
94.89163	50.0
98.79382	50.2
98.95571	72.1
106.38296	42.6
119.34905	48.4
121.03033	51.4
127.66058	49.9
162.83875	58.6
213.36176	45.6
243.34157	50.3
253.70744	48.0
254.55899	48.6
283.60068	50.7
291.19669	70.8
530.77576	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.5
61.98832	2.7
69.03461	2.9
69.60909	3.2
69.61301	2.8
71.52734	1.3
80.01048	1.5
85.02947	1.4
90.15683	1.2
91.01704	1.3
94.44839	1.7
97.02950	10.1
107.67060	1.5
111.08195	1.4
119.08676	2.0
137.09743	5.7
152.08499	2.7
165.12828	2.5
171.10257	11.5
179.14561	1.5
196.46468	1.4
197.11913	3.1
209.15605	1.6
211.13498	1.9
221.11816	1.2
247.20728	3.9
260.79111	1.5
270.01614	1.3
271.70197	1.4
273.18530	4.0
291.19675	32.7
309.17471	3.6
309.20691	100.0
310.21088	2.8
619.38013	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	619.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99544	7.0
61.98828	62.2
72.20999	7.4
78.95913	18.1
96.96030	11.7
116.73231	7.7
119.94712	38.6
125.09707	13.9
145.02959	8.4
171.10219	10.6
183.91527	7.9
185.11850	21.8
214.04344	7.3
280.23709	9.4
281.04568	8.7
291.19644	100.0
323.06369	8.6
323.15115	8.5
373.73697	8.1
380.21243	9.8
385.58893	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	620.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45445	0.5
52.81051	0.5
52.85263	0.7
58.99592	0.8
59.01381	5.6
61.98828	1.6
66.95890	0.5
69.03456	5.5
70.02978	1.3
70.50165	1.0
71.01387	2.4
77.45444	0.7
78.51993	0.5
80.91677	2.1
82.95414	10.6
82.99605	1.3
85.02965	1.1
86.02480	1.6
89.02437	2.0
91.41010	0.7
93.03519	0.5
93.52187	0.6
94.02956	0.9
96.95982	0.7
101.02458	1.4
112.04054	2.8
113.02445	1.0
117.03378	0.7
120.04552	2.8
121.02962	0.7
122.02494	6.2
122.06111	1.0
123.04569	1.0
132.02153	1.2
133.02954	28.5
134.03717	2.3
135.04523	30.5
137.02397	0.8
137.04257	0.7
139.02263	2.9
139.03987	0.8
148.04053	6.2
148.05196	0.9
149.06079	4.7
161.02444	100.0
162.02798	2.6
165.03761	1.8
175.03970	1.1
177.05562	8.7
179.03494	30.3
180.03802	0.9
182.02797	34.5
183.03053	1.0
191.05626	0.8
194.99440	0.6
200.07208	1.9
203.03517	1.2
206.85577	0.6
218.08168	1.5
221.04544	11.4
226.01730	7.1
233.04543	1.1
234.05898	1.1
251.05569	6.8
272.72559	0.6
281.06671	11.2
296.05972	2.3
323.07684	6.2
341.08685	5.1
393.11737	5.6
427.10242	0.8
458.11383	5.0
533.11218	0.7
542.16815	1.9
560.14673	0.8
576.15308	5.5
586.15540	0.7
620.14392	81.9
621.14899	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	621.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71481	0.4
59.01379	8.2
59.01651	0.6
59.17472	0.4
60.18806	0.4
62.89760	0.4
65.80334	0.4
67.01884	3.3
68.99813	5.8
69.03451	25.4
70.06669	0.4
71.01378	6.7
72.99329	0.9
73.02947	0.9
81.03494	0.8
83.01414	0.4
85.03001	1.5
87.00875	0.6
89.02450	3.0
91.51466	0.4
93.03498	1.7
95.05005	2.2
96.96052	0.9
97.03010	0.6
98.21894	1.2
99.00900	1.0
99.04510	3.2
101.02441	13.7
105.03439	2.0
107.05027	3.2
108.02213	1.3
109.02996	1.2
113.02486	1.7
119.03617	0.6
121.02957	2.1
121.52977	0.4
123.04519	15.8
127.04053	1.7
133.02950	9.8
134.03780	0.5
135.04515	5.3
135.05328	0.4
149.02483	1.6
149.06177	0.6
151.03999	29.5
153.05603	2.3
160.05363	0.4
161.02441	19.9
163.04050	0.5
165.05582	1.2
173.04607	1.2
173.06073	1.0
177.01990	0.4
177.05679	0.6
179.03477	2.5
183.06615	24.2
191.05571	0.8
195.06558	0.6
203.07126	0.7
209.04605	0.9
221.08270	1.3
226.31633	0.5
227.05608	6.5
265.07422	0.5
269.08292	0.4
322.92200	0.4
323.07751	0.5
384.01788	0.7
393.11795	3.4
399.03940	2.8
459.15039	100.0
460.15326	5.2
561.28973	0.6
577.20331	0.5
621.18140	18.1
621.28668	1.0
622.18378	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47692	0.6
51.62351	0.7
59.01377	10.6
61.56999	0.8
67.01894	4.3
68.99812	5.6
69.03461	28.0
71.01379	6.7
72.99305	1.5
73.02918	1.6
81.03447	1.1
85.02934	2.1
87.00871	1.3
87.70435	0.7
88.57645	0.6
88.98813	0.8
89.02434	4.7
93.03457	2.9
95.01402	1.1
95.05005	2.3
95.98377	0.7
99.04537	4.6
101.02448	16.0
105.03465	2.2
107.01408	0.8
107.05018	3.7
108.02176	2.4
109.02925	1.5
113.02470	1.5
114.89619	0.7
119.03510	1.3
121.02944	3.0
123.04529	16.1
127.04002	2.1
133.02948	9.0
134.03755	0.8
135.04529	5.9
147.04488	0.8
149.02448	1.8
151.00357	4.0
151.04010	30.1
153.05548	1.9
161.02449	20.7
165.05626	1.2
173.04572	1.3
177.05615	0.8
179.03482	3.9
183.06625	26.9
191.05589	1.7
195.06534	1.0
209.04570	1.8
221.04568	0.8
221.08141	1.9
227.05573	7.3
294.49622	0.8
357.02924	1.2
373.70660	0.8
384.01630	1.5
393.11963	3.2
399.03964	10.0
459.15076	100.0
460.15533	5.6
502.90710	0.8
621.18274	19.5
621.30750	2.3
622.18329	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73100	0.9
55.01865	0.9
59.01384	22.5
65.03954	1.6
67.01891	1.6
68.99820	5.6
69.03458	10.3
71.01384	13.0
72.99294	7.4
83.01378	2.0
85.02963	5.1
89.02451	11.4
93.03453	19.0
95.01396	1.2
95.04999	1.3
96.95400	1.2
96.95990	6.7
98.22701	1.3
101.02438	21.3
107.05028	1.8
113.02447	5.6
116.92898	1.4
119.03492	3.6
119.05000	8.3
121.02955	23.4
121.06591	10.4
127.04012	2.6
133.02943	2.4
135.04550	3.3
137.02498	1.9
145.06599	1.7
147.04529	34.2
149.02440	1.0
150.03226	1.1
151.04002	1.8
153.05591	13.8
161.02438	3.7
161.04539	1.5
165.01895	2.3
165.05569	100.0
166.05853	1.8
167.20724	1.0
173.04597	1.5
173.06044	2.8
179.03510	6.3
179.05547	1.0
191.05615	4.2
191.07182	2.0
197.04504	9.9
205.08723	1.9
227.12871	1.0
229.44702	1.0
230.02155	0.9
241.04967	1.2
249.07652	2.2
267.08850	1.1
309.09824	1.7
341.08780	11.1
345.09622	3.1
429.14020	21.2
430.14081	1.0
435.14069	1.1
473.06424	2.0
473.13031	33.4
474.13269	2.4
505.17801	1.1
577.19177	21.1
578.19800	2.2
621.21332	1.0
621.31268	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	621.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99541	0.4
59.01381	4.5
60.53733	0.3
61.98834	0.4
62.78715	0.3
66.97240	0.3
71.01386	2.2
73.02930	0.7
79.95774	0.4
85.02951	1.2
85.62643	0.4
87.00870	0.4
89.02466	1.6
93.03473	0.5
95.01436	0.4
96.96010	9.8
96.96941	0.5
98.21770	0.6
101.02435	1.9
103.01545	0.4
105.03456	0.6
107.05060	1.1
109.03078	0.5
111.00877	1.3
112.98632	0.4
113.02461	1.0
116.92886	0.7
117.03471	1.5
119.03534	0.7
125.02403	0.4
132.02185	1.1
133.01917	0.5
133.02963	27.8
134.03777	3.5
135.04532	52.2
136.04874	0.9
137.02396	0.4
143.22154	0.3
161.02452	100.0
162.02800	2.5
162.23166	0.3
179.03508	34.2
180.03900	1.0
191.05679	0.5
196.41037	0.3
221.04535	0.4
285.04108	0.6
441.13934	3.6
447.09473	0.6
459.15085	48.8
460.15500	3.0
621.18188	43.8
622.18573	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	621.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.1
59.15997	0.5
61.98820	1.2
67.01863	0.5
71.01381	3.5
73.02945	1.2
75.00884	0.6
82.95421	0.9
85.02944	1.3
87.00890	0.9
88.98773	0.5
89.02444	2.4
93.03425	0.9
96.96013	16.7
98.22643	1.5
99.00906	0.9
99.92554	0.7
101.02418	2.7
105.03466	0.6
107.05077	1.1
109.02943	1.2
111.00896	0.6
113.02460	1.1
116.92863	6.7
117.03466	1.9
119.03551	0.8
121.02962	0.5
132.02185	1.7
133.02953	30.1
134.03023	0.4
134.03764	5.0
135.04524	63.2
136.04814	1.3
137.02484	1.1
138.04042	0.5
153.01892	0.5
153.05611	0.5
159.04485	1.0
161.02441	100.0
162.02737	2.3
163.04042	0.8
175.07567	1.0
179.03493	43.8
180.03915	1.1
182.49472	0.5
191.05634	1.5
256.26398	0.5
279.08746	1.5
284.03210	0.5
285.04330	0.8
312.83990	0.5
355.09271	0.5
381.92105	0.5
441.13977	4.0
459.15045	31.1
460.15454	1.5
621.18213	73.4
622.18481	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	621.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75895	0.4
52.58713	0.3
59.01376	5.6
61.98837	1.2
69.12183	1.9
71.01382	3.2
73.02946	0.6
85.02947	1.3
85.98378	0.4
87.00865	0.7
89.02449	2.2
93.03461	0.5
96.96001	1.7
97.02979	0.4
98.77684	0.4
99.00883	0.5
101.02444	2.6
104.77905	0.3
105.03468	0.5
107.05013	0.7
109.02956	0.7
111.00922	0.4
113.02455	1.2
114.93461	0.4
115.00356	0.4
116.92892	2.1
117.03487	1.5
119.03474	1.1
123.04464	0.3
125.02443	0.4
132.02188	1.2
133.02959	26.7
134.03815	2.0
135.04526	55.5
135.06653	1.6
136.04845	1.6
137.02374	0.6
142.28181	0.3
149.02455	0.4
149.06096	0.7
153.01906	0.3
161.02441	100.0
162.02765	2.2
165.20514	0.3
173.04575	0.9
175.03993	0.7
177.02003	0.5
177.05559	1.5
179.03496	18.2
180.03979	0.8
191.05629	1.4
203.03517	0.7
221.04506	1.2
222.90308	0.4
224.54643	0.4
269.04684	0.6
285.04041	1.9
286.04309	0.9
323.07684	8.3
330.67416	0.4
387.09598	0.4
417.15454	0.8
441.13824	2.7
459.14865	37.4
460.15521	2.0
561.29083	0.6
561.38788	0.4
593.18396	0.5
602.63550	0.5
621.17957	33.9
621.25470	2.2
621.34723	1.3
622.17981	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	621.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34582	0.3
56.32347	0.3
58.00578	0.4
59.01379	19.7
71.01380	8.3
71.05024	3.6
72.99311	0.6
73.02950	1.5
79.40841	0.3
85.02937	1.6
88.87671	0.4
89.02443	10.8
95.01353	0.4
96.05377	0.3
99.04537	3.1
101.02444	6.2
101.06075	0.8
113.02458	4.3
117.01910	1.4
117.05582	28.1
118.05834	0.3
119.03512	4.5
125.02383	0.3
135.04491	0.5
150.05565	1.3
157.30319	0.3
159.06616	0.5
161.02490	0.9
179.03407	0.5
179.05640	1.2
182.57697	0.4
191.05579	0.8
279.10849	100.0
280.11380	2.9
341.10822	0.6
459.15161	0.4
496.88940	0.4
585.15656	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
75.00877	0.9
78.95911	1.6
89.08932	1.0
103.01491	84.8
113.44313	1.0
187.54678	1.0
279.23181	2.7
313.17670	1.0
432.56812	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.3
61.98841	0.6
63.02416	0.4
65.00338	0.5
65.13628	0.4
66.35711	0.4
69.32489	2.1
73.02957	1.0
82.06681	0.3
83.01409	0.8
85.02946	0.9
93.03468	0.8
98.22578	1.0
101.02448	1.6
101.22576	0.5
105.03472	0.9
107.01391	0.6
109.02950	1.0
113.02467	1.1
117.03450	1.0
121.03008	0.6
132.02193	1.4
133.02954	26.9
134.03760	4.4
135.04523	26.3
148.05319	0.6
149.02438	0.6
149.06071	1.6
151.00378	1.8
159.04485	0.8
160.01671	1.2
161.02443	74.2
162.02773	1.8
173.83125	0.5
175.03995	1.4
177.01970	0.9
177.05569	5.5
178.02721	0.9
179.03493	17.1
180.03961	0.5
188.43826	0.4
191.05533	0.5
193.26137	0.4
203.03543	1.2
211.04019	0.6
220.03696	0.6
221.04538	6.3
227.03438	0.6
251.05609	0.8
255.03069	1.1
256.03793	3.1
263.05591	1.0
280.05875	1.2
283.02545	0.7
284.03253	100.0
285.03976	19.9
286.04318	0.7
299.05594	49.8
300.06036	2.6
323.07706	63.4
324.07993	3.3
580.79266	0.5
623.14020	52.3
624.14319	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	623.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97740	0.5
59.01381	5.0
61.98828	2.2
63.02401	0.6
69.03448	0.7
73.02948	1.0
75.00874	0.9
83.01412	0.9
85.02965	1.4
87.00891	0.8
88.98793	0.6
89.02459	2.0
93.03455	2.6
96.96031	0.6
97.02882	0.5
101.02447	2.0
105.03452	0.6
107.01418	1.5
107.05002	0.6
108.02195	0.6
113.02428	1.1
119.03523	0.6
125.02444	0.8
132.02190	2.1
133.02960	26.5
134.03761	2.8
135.04524	23.6
137.06088	1.9
149.02472	0.9
149.06082	1.8
151.00349	2.6
159.04460	0.8
160.01685	0.8
161.02451	69.4
162.02762	1.6
173.04578	1.4
175.03964	1.9
177.01888	0.6
177.05577	4.1
179.03496	17.0
189.76013	0.6
191.05637	1.9
199.04221	0.8
203.03557	1.1
211.04062	0.7
221.04573	5.2
227.03520	0.9
235.03445	0.5
251.05569	1.2
255.02971	1.6
256.03796	6.8
263.05634	1.0
269.04626	1.0
280.05914	1.2
283.02252	1.0
284.03256	100.0
285.03918	15.9
287.94617	0.6
299.05597	93.5
300.05988	4.4
323.07703	61.3
324.08139	2.8
386.30173	0.5
400.96240	0.5
429.42987	0.5
621.58405	0.7
623.13940	53.7
623.32709	4.5
624.13995	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	623.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62901	0.4
59.01376	6.1
60.04049	0.4
60.13498	0.4
61.74535	0.4
61.98822	1.3
65.03953	0.5
68.99810	1.9
69.03458	7.7
69.13891	0.8
69.14294	1.9
71.01376	3.5
72.99307	8.6
73.02920	0.5
75.00873	0.6
75.05753	0.4
85.02932	0.8
85.80985	0.4
89.02435	4.4
91.31680	0.4
93.03466	3.6
96.96005	1.2
97.02940	0.4
101.02437	5.9
113.02432	1.6
117.03482	2.0
119.03493	1.7
119.05062	0.5
121.02967	1.8
121.06605	0.5
122.03754	1.1
123.04522	0.5
125.02419	0.5
133.02971	1.5
134.03745	25.5
135.04550	2.8
137.02396	0.7
147.04544	0.4
149.02449	1.1
149.06081	4.6
149.46706	0.5
150.03229	16.6
151.03821	0.4
153.05579	7.2
161.02435	3.3
165.05569	13.2
167.03513	0.5
173.04573	0.6
173.06059	0.9
177.01871	0.5
178.02739	3.6
179.03505	2.4
191.05589	1.3
191.07169	1.3
193.05057	24.1
205.08690	0.4
211.06114	100.0
212.06447	1.6
223.09692	0.6
249.07858	0.7
269.04633	0.7
269.17627	0.5
281.04602	0.5
284.03537	0.5
285.04025	3.1
381.60886	0.5
385.62570	0.4
391.10349	1.5
413.10727	0.7
417.09552	0.9
429.13989	14.3
430.14075	0.7
460.15738	0.7
461.15808	0.6
623.11163	0.7
623.19678	12.4
624.19543	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01919	1.0
57.03479	2.0
57.99768	0.6
58.00617	0.6
59.01376	17.0
61.36073	0.6
61.98829	6.2
69.03486	0.8
69.11608	3.4
71.01383	14.0
72.99310	12.1
73.02953	4.0
75.00893	1.0
75.94459	0.6
81.03496	1.4
83.01437	3.1
83.05083	2.1
85.02950	7.6
86.00134	1.0
87.00938	2.5
88.98835	1.3
89.02432	5.1
93.03460	8.4
95.01411	1.2
96.96003	12.4
97.02991	1.3
98.22626	1.1
99.00944	2.3
99.08183	0.7
101.02444	9.7
103.09573	0.9
111.00957	2.4
111.04517	6.2
111.08146	0.7
112.63174	0.7
113.02444	4.7
116.92839	3.3
119.03572	1.8
119.05204	0.6
120.99733	1.3
123.04591	0.8
124.01665	0.8
125.02491	1.9
129.01938	1.1
133.02980	1.9
134.03783	1.5
135.04500	4.2
137.02521	2.6
141.12852	1.2
149.02460	0.9
149.04622	0.9
149.06122	1.2
151.04036	0.7
155.03519	7.1
161.02422	6.7
165.02046	0.8
165.05585	0.8
173.04543	18.5
173.05930	1.3
175.03931	0.7
179.03595	3.2
179.05539	0.7
189.01976	0.9
189.05649	0.8
191.05611	7.4
197.07729	0.6
238.10184	0.6
241.21649	0.7
243.32578	0.7
269.04691	0.8
269.21326	3.1
283.13144	0.7
284.03387	1.6
285.04129	2.3
285.20667	0.9
287.22284	34.6
288.22577	0.9
300.88013	0.7
389.59976	0.7
431.26477	4.4
449.27539	100.0
450.27997	3.1
461.19913	0.8
585.21301	0.9
622.40924	0.8
623.24323	3.9
623.32751	75.0
624.23718	1.1
624.33197	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	624.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
56.17222	0.2
59.01380	3.5
60.01703	0.3
61.98819	0.8
68.01404	0.3
68.68443	0.2
69.03434	0.3
71.01385	2.3
71.45013	0.2
72.05605	0.3
73.02945	0.5
79.11729	0.2
83.01363	0.3
85.02944	0.7
87.00855	0.4
88.22610	0.2
89.02450	1.8
89.03928	0.3
93.19434	0.3
93.32345	0.2
95.05016	0.3
99.00935	0.3
101.02444	2.0
105.03461	0.8
109.02952	0.3
113.02448	1.0
116.92885	0.6
117.03467	1.4
117.92879	0.3
118.92686	0.4
119.03519	0.6
121.02924	0.4
123.03262	2.2
123.04595	0.3
125.02425	0.7
132.02188	2.2
133.02956	39.5
134.03748	1.8
135.04526	13.2
137.02467	0.5
138.05611	18.4
149.06117	0.5
159.04456	0.5
161.02441	100.0
162.02780	2.3
168.44980	0.3
174.03362	0.2
175.04001	0.7
176.38231	0.2
177.01840	0.3
177.05591	1.5
178.02739	0.4
179.03490	9.9
180.06636	0.3
191.05579	0.9
203.03583	0.6
221.04524	2.0
251.05585	0.8
281.06656	2.3
285.04062	1.1
298.23871	0.3
323.07962	1.3
341.08755	0.8
376.53406	0.3
383.09814	5.2
425.10907	1.4
443.22922	1.1
444.22980	1.2
447.09100	0.6
462.16293	0.5
485.13000	4.2
623.28351	0.5
624.19305	66.8
625.19604	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	625.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14792	0.4
59.01392	0.7
61.98838	0.9
65.00330	2.0
71.01388	1.5
73.02959	0.5
83.01385	2.7
85.15521	0.5
101.02486	1.1
107.01410	4.2
108.02203	2.3
109.02969	0.6
123.04580	0.5
125.02441	7.6
129.62917	0.5
132.02174	0.5
133.02960	17.2
134.03741	9.9
135.04527	18.9
136.01669	5.3
137.02452	0.9
147.04459	0.4
149.06096	3.4
151.00378	18.5
152.01089	0.5
158.03757	1.9
159.04523	0.6
160.01617	0.8
161.02448	52.2
162.02815	1.4
164.01160	17.9
172.05321	0.9
173.02417	0.6
173.06142	1.0
174.03223	5.6
175.00363	1.3
175.03998	1.9
176.04828	0.7
177.01982	1.1
177.05573	4.0
179.03503	14.3
179.05087	0.7
185.02449	1.2
187.03979	0.9
191.07150	1.4
196.00145	1.9
199.04010	5.7
200.04805	2.7
201.01929	6.0
202.02753	1.6
203.03525	1.5
213.05692	0.8
214.06419	1.9
215.03499	2.7
215.07071	1.3
216.04330	1.1
217.05098	1.6
218.05872	0.6
221.04547	5.2
224.04829	0.9
225.05502	0.5
227.03535	1.8
233.08250	1.2
240.04294	1.5
241.05061	2.5
242.05833	9.8
251.05579	0.6
252.36200	0.5
257.08167	4.4
258.05347	2.6
263.05606	0.7
268.03790	1.2
269.04636	0.9
280.05817	1.1
281.06693	0.9
283.02563	0.6
283.06131	1.7
284.03104	1.0
285.03973	1.9
286.04840	13.3
287.05463	2.5
299.05826	0.6
301.07169	100.0
302.07504	4.7
310.04684	0.5
323.07712	78.6
324.08194	2.9
325.07111	1.9
356.46298	0.6
367.08298	0.6
625.15637	44.6
626.15784	3.5
636.44830	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46836	0.4
58.40436	0.4
58.70651	0.3
59.66635	0.4
61.98791	0.4
63.02404	1.2
65.00318	0.8
68.11282	0.4
68.99816	1.0
69.03442	0.9
69.70833	0.4
69.71170	1.1
78.95879	0.6
87.50014	0.4
88.98799	1.5
89.02439	0.5
93.03482	0.5
95.01381	0.5
98.21918	0.4
99.48698	0.4
101.02428	1.6
107.01389	1.0
117.03457	2.4
149.02448	0.9
151.00314	1.1
152.99510	0.6
155.03513	2.6
157.01048	0.4
157.24940	0.4
159.04482	1.1
161.02434	0.9
171.04510	0.4
184.41870	0.5
195.04448	0.4
196.05254	0.4
197.06114	0.4
201.05592	0.5
211.04018	0.4
225.05479	0.9
239.03427	1.3
240.04276	1.6
268.03754	19.0
269.04532	100.0
270.04858	3.6
311.05588	0.8
348.93076	0.4
447.60791	0.4
573.00488	0.4
625.22882	15.9
625.39227	0.9
626.23022	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	625.2498
Annotation	Acanthosulfate
Peak:m/z	Relative Intensity
55.90409	0.3
59.01110	0.4
59.01378	5.9
61.98822	1.8
62.09185	0.3
63.93343	0.3
66.40383	0.3
69.03445	0.5
71.01384	4.3
73.02946	2.3
75.00871	0.6
80.42927	0.3
83.01384	0.5
85.02935	1.1
87.00875	0.4
89.02441	5.2
93.03445	0.5
95.01368	0.5
97.02989	0.4
99.00877	5.7
99.76646	0.3
101.02434	2.5
105.03425	0.4
106.04224	1.3
108.02148	0.6
109.02934	0.4
111.00896	0.5
113.02436	0.8
116.92855	0.8
117.03455	1.1
119.03455	0.4
121.02945	2.1
124.01682	0.3
124.99752	0.3
125.02424	0.7
131.03455	0.7
132.02234	0.6
133.02953	18.3
134.03740	38.0
135.04529	18.6
135.05394	0.2
135.05615	0.4
137.01431	0.6
137.02449	11.4
139.03996	3.2
149.02464	0.4
149.04597	0.5
150.03188	1.4
151.00356	0.8
155.03464	0.3
161.02440	31.7
162.02713	0.6
164.01068	0.4
174.43936	0.3
178.02707	6.8
179.03484	9.7
185.91408	0.4
188.08350	0.4
191.05591	1.5
194.83022	0.3
201.09258	0.3
215.51738	0.3
269.15375	1.1
285.04056	0.7
286.04633	0.6
287.16446	1.0
301.07150	1.5
313.14420	1.1
315.15891	0.6
323.07611	0.6
331.15283	0.8
439.28796	0.3
449.21686	0.6
464.10938	0.3
493.20605	1.9
581.25970	0.4
625.24969	100.0
626.25244	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	625.2502
Annotation	Acanthosulfate
Peak:m/z	Relative Intensity
55.01851	0.5
57.03431	0.8
59.01382	8.3
61.98832	5.7
66.97367	0.5
68.99825	0.5
69.03446	1.0
71.01383	8.5
72.99314	0.5
73.02949	3.3
75.00871	0.9
83.01387	1.3
85.02962	3.2
87.00876	0.8
87.05153	0.4
88.98779	0.5
89.02441	4.7
93.03453	1.3
95.05015	0.4
96.95998	0.6
97.02923	0.5
98.21767	0.8
99.00890	3.8
101.02448	6.9
105.03447	0.5
106.04243	1.7
108.02159	0.5
109.02946	0.6
111.00867	1.7
113.02457	2.7
116.92838	0.6
117.03475	0.9
119.03496	0.5
121.02988	2.5
125.02427	0.9
132.02194	0.5
133.02959	20.4
134.03749	35.9
134.81845	0.5
135.04529	13.4
137.02449	15.6
139.04015	5.1
149.02434	0.9
149.04593	0.5
149.06129	0.5
150.03247	2.4
151.00381	1.2
155.03535	1.1
161.02449	25.9
161.04590	1.3
162.02734	1.0
173.04535	0.7
178.02705	8.2
179.03496	7.6
181.54808	0.5
191.05571	2.1
225.15111	0.4
255.02975	0.5
269.04550	2.4
269.15536	0.5
270.04816	0.5
281.06830	0.4
283.02261	0.7
284.03403	0.6
285.04059	3.3
286.04410	1.1
287.16495	0.8
301.07153	2.5
313.14557	1.0
323.07623	1.3
331.15491	0.7
447.09201	0.6
449.21817	1.1
463.32654	1.2
493.20950	1.5
565.32666	2.6
581.25995	1.0
593.28339	0.4
624.37994	0.5
625.24994	100.0
625.37756	17.0
626.25476	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	625.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
57.03435	0.9
58.00592	1.2
59.01376	84.0
60.01734	0.5
61.98842	0.4
62.76092	0.5
65.84297	0.4
67.01888	1.0
68.99815	0.5
69.03451	1.5
69.63017	1.7
71.01378	47.4
72.99316	1.3
73.02946	18.1
75.00874	0.9
81.03487	0.5
83.01391	2.1
85.02950	7.4
87.00890	2.2
89.02441	71.1
89.64988	0.5
95.01409	1.4
95.05024	2.1
97.02962	2.0
98.21832	0.6
99.00874	27.3
101.02439	28.2
111.00852	0.9
113.02443	9.4
116.33160	0.4
116.92859	0.9
119.03503	7.9
119.18272	0.4
121.02962	0.6
125.02448	3.4
127.03991	1.4
131.03506	9.4
133.02953	1.8
135.04523	2.0
137.02437	1.6
139.00417	0.8
139.03966	0.6
143.03496	1.4
149.04550	23.5
150.03172	0.7
161.02449	5.4
161.04538	2.3
165.01996	0.6
179.03481	1.3
179.05592	1.6
191.05635	8.8
221.06699	1.4
241.07141	0.6
251.07687	2.5
287.28220	0.5
293.08835	0.6
300.02679	0.8
301.03543	1.4
397.81152	0.5
400.10120	0.5
445.13419	2.6
445.20013	0.8
463.08643	1.2
463.21875	1.2
477.20032	0.7
493.22916	7.3
553.15558	1.2
589.17731	0.8
607.16870	1.7
608.14911	0.7
625.27094	100.0
626.27374	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	625.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79476	0.5
54.30474	0.6
55.01870	1.2
57.03455	0.6
58.00576	0.6
59.01380	22.4
61.98821	0.8
63.14070	0.5
69.03458	1.1
69.41658	0.7
69.42068	1.7
71.01009	1.0
71.01380	15.2
72.99303	0.6
73.02937	2.5
75.00864	0.6
77.92771	0.5
80.02672	2.0
80.93084	0.5
81.03449	2.0
83.01394	1.0
83.05028	5.4
84.02165	0.9
85.02963	3.4
87.00881	2.8
89.02444	16.1
93.03426	0.6
95.01361	1.2
97.02936	2.2
99.00857	1.6
100.33479	0.5
101.02444	12.4
111.00866	0.5
113.02453	6.3
119.03510	6.4
120.99673	0.6
125.02451	4.1
131.03476	0.8
133.02968	1.7
135.04498	1.4
135.08148	0.8
135.98387	0.5
136.01666	0.7
136.99074	0.7
139.04082	0.5
143.03511	1.7
149.04565	1.2
161.02414	1.5
161.04556	3.4
161.08243	0.6
163.11301	3.4
165.05469	0.6
165.12823	1.9
177.01891	0.9
179.03487	1.1
179.05603	3.2
181.05043	0.9
181.12428	0.6
191.05594	3.0
191.10808	1.2
199.13280	0.7
209.11827	100.0
210.12161	3.3
221.06662	1.5
227.12874	20.3
235.06303	0.6
235.08205	3.5
253.09232	1.0
287.07822	1.3
305.08740	1.8
323.09961	0.7
343.11911	0.6
397.13483	31.6
398.13989	1.3
403.13986	1.8
415.14551	17.5
416.15146	0.9
433.24249	0.5
565.28790	2.5
625.27991	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	625.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.9
60.25665	0.6
61.83525	0.6
61.98825	4.8
61.99108	0.7
69.63814	2.2
71.01383	0.6
77.14432	0.5
95.05019	1.4
105.26894	0.6
121.10223	16.8
125.09746	0.7
127.11303	0.8
163.70547	0.6
171.10258	43.2
172.10593	1.0
177.16495	0.9
183.13940	1.0
185.11848	1.5
187.02882	0.5
231.21208	3.7
275.20135	67.5
276.20435	4.0
293.21213	100.0
294.21530	6.0
331.16684	1.8
381.16318	0.8
412.82297	0.6
485.26385	0.7
503.26990	3.1
607.36780	11.0
608.37109	1.2
625.38568	9.2
626.38605	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56614	0.4
57.03434	0.3
69.32394	1.6
70.16304	0.3
95.05042	1.8
98.22537	0.7
125.21137	0.4
128.33295	0.4
131.39864	0.4
141.09276	0.5
179.14371	0.7
195.13895	6.4
196.14589	1.5
205.12387	0.5
211.13371	0.4
223.13362	6.2
240.29912	0.4
256.13196	1.4
262.09677	0.6
275.20190	3.3
293.21219	100.0
294.08810	1.5
294.21521	5.9
331.16742	0.9
487.23459	0.6
521.68115	0.4
536.77039	0.4
556.31128	0.5
588.29828	5.3
625.38513	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.9
61.98843	1.8
63.02393	1.2
65.00323	0.7
71.01382	1.6
73.02945	0.4
83.01369	0.9
85.02947	0.6
88.98795	0.6
89.02448	1.1
93.03454	0.7
95.01377	0.6
101.02444	1.5
107.00786	0.3
107.01388	1.6
109.02930	0.8
113.02450	0.7
116.92880	0.4
119.04989	0.4
121.02969	1.5
123.04533	0.7
130.75951	0.3
133.02957	7.7
135.04547	3.0
136.01659	0.4
137.02454	2.5
145.02980	1.4
149.02480	2.4
151.00375	3.9
161.02464	4.9
161.08154	0.5
171.04604	0.4
175.03995	2.6
177.01921	0.4
179.03525	1.1
185.06133	0.5
191.03375	0.3
191.05629	0.6
199.04041	2.0
201.01883	0.6
213.05595	0.6
215.03551	0.4
217.05070	1.1
221.04530	0.4
223.03630	0.3
225.53964	0.4
241.05034	1.1
243.03001	0.7
256.03836	0.5
257.04532	0.7
284.03284	7.0
284.06314	0.6
285.04047	100.0
286.04407	3.9
297.04199	0.4
306.49127	0.4
307.08221	0.9
323.07819	0.6
447.09323	9.1
447.25986	1.7
489.10327	0.7
517.10004	0.9
597.12494	11.6
598.12958	1.0
609.12488	23.8
610.12482	2.4
627.13153	5.6
627.31812	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	627.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	7.1
60.28574	0.5
61.98814	1.2
63.02392	0.9
65.00314	0.9
67.07038	0.6
67.24757	0.6
70.10716	1.7
71.01381	3.4
73.02949	1.1
75.00874	1.0
83.44658	0.6
85.02956	1.7
87.00897	0.9
88.98814	1.3
89.02451	2.1
93.03454	0.6
98.22488	0.9
101.02447	3.5
105.03467	0.8
107.01389	2.6
109.02964	1.8
113.02426	1.7
119.05013	1.4
120.99638	1.0
121.02947	1.4
122.02452	0.6
125.02437	1.4
132.02231	0.8
133.02934	12.5
135.04532	8.6
137.02455	6.0
143.17413	0.6
145.03030	1.0
149.02431	1.7
151.00378	7.4
151.03992	0.8
161.02443	16.5
161.04527	1.3
162.02794	1.0
163.04034	0.6
173.04572	1.2
175.04022	2.5
177.01912	1.0
177.05573	0.7
179.03503	3.3
181.37964	0.5
191.05620	2.4
198.03139	0.6
199.03987	2.4
201.01920	0.9
209.04704	0.8
210.33487	0.6
213.05602	0.7
217.05066	1.4
221.04456	1.1
229.01546	0.8
241.05026	1.3
243.02945	0.8
271.09854	1.0
280.54962	0.6
284.03204	9.5
285.04037	100.0
286.04337	4.4
287.05569	4.9
291.35809	0.6
315.05618	0.6
323.07663	1.0
418.17926	0.6
421.09207	0.7
447.09323	8.0
449.10773	0.9
465.08408	1.1
489.10229	3.5
505.17365	1.0
517.09790	2.9
567.31750	1.7
580.30762	1.0
609.12433	42.8
609.20148	1.7
610.12567	3.7
627.12018	3.4
627.23083	1.2
627.32690	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09143	0.4
55.72970	0.5
59.01371	5.0
60.75299	0.5
60.99014	0.8
60.99310	15.8
61.98599	0.4
61.98834	5.5
65.00333	0.7
68.99834	0.5
70.60735	1.0
71.01380	2.6
72.99316	0.6
73.02956	1.3
83.01389	0.7
83.05023	1.2
85.02950	1.4
87.00872	1.4
88.98805	100.0
89.02441	7.0
89.99150	0.5
93.03469	1.1
94.98057	0.8
96.96014	1.1
101.02446	2.6
107.01400	0.8
109.02951	1.2
111.00902	0.5
113.02438	0.8
119.03587	0.5
125.02538	0.7
133.02943	2.8
135.04562	2.9
137.02446	1.1
147.04477	0.6
149.02461	0.7
151.00372	2.1
151.04041	0.6
153.01906	0.6
153.05502	0.5
155.03516	0.7
161.02408	3.0
178.02722	0.5
179.03508	1.1
181.05179	0.8
181.08676	3.9
183.10194	0.5
191.05643	2.8
207.06587	0.7
209.11818	2.1
217.04813	0.6
229.60947	0.6
241.04865	0.5
255.03094	0.7
256.03433	0.6
269.04575	1.6
271.06186	1.0
283.02258	0.6
284.03308	2.3
285.04068	14.2
429.10281	2.2
447.09061	1.1
448.09338	0.5
449.10785	0.6
626.38617	1.7
627.17249	3.2
627.25861	1.6
627.35553	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39605	1.4
57.03438	1.5
57.40702	1.3
59.01377	34.0
61.31739	1.3
69.03438	1.6
71.01382	13.1
72.99295	2.4
73.02950	3.5
83.01381	5.6
85.02967	5.1
85.06572	1.7
87.00875	27.9
88.98804	7.5
89.02444	17.0
96.96019	2.2
97.02930	1.9
99.00867	5.1
100.01687	2.0
101.02431	12.1
109.02950	4.0
111.00881	31.0
113.02447	6.3
119.03484	8.3
129.01921	2.7
131.03448	4.3
131.07101	3.7
135.00877	1.8
137.02429	11.9
143.03503	2.4
147.02980	1.7
149.02449	4.4
151.00319	2.0
151.03993	2.3
153.01981	1.8
161.02434	4.1
161.04590	3.1
162.03261	1.5
163.03960	3.0
164.04724	8.2
165.01926	80.7
166.02596	5.8
173.00948	2.7
176.04811	2.7
179.03494	23.8
179.05583	9.8
179.07127	12.1
180.04286	55.3
181.05057	9.4
184.57838	1.4
191.01897	3.4
191.05591	3.0
191.07199	1.8
194.05826	11.1
195.06625	64.7
205.05093	2.9
209.08150	6.4
210.05359	15.4
211.06084	3.6
219.02904	2.3
219.06485	2.4
220.20718	1.5
225.07692	32.6
229.31512	1.5
234.05209	2.1
249.04008	2.9
249.07637	5.8
250.04790	1.7
264.06393	11.5
265.07095	8.4
266.01059	2.6
279.08768	3.1
291.08716	2.3
293.12354	4.8
294.12604	1.7
295.12686	2.0
337.09271	11.5
339.95023	1.5
373.12717	1.4
387.14188	2.5
388.54935	1.5
405.11356	1.5
405.21078	2.1
443.13406	7.3
491.15591	52.1
491.22821	3.3
492.15677	4.2
503.14963	1.8
517.16956	3.0
535.18408	2.6
551.17609	4.6
567.26221	8.0
609.18243	8.6
627.19275	100.0
628.19696	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	627.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72702	1.0
51.85805	1.1
57.03431	1.2
59.01377	6.6
60.99301	3.5
64.89247	1.2
69.03450	1.5
69.15102	1.2
69.20309	3.5
69.20711	2.4
71.01376	9.0
73.02944	5.7
83.01366	3.0
85.02941	3.6
87.00872	28.8
88.98261	1.9
88.98804	19.7
89.02437	5.3
91.01891	3.2
93.03423	1.2
97.02966	1.2
98.22620	2.1
99.00883	7.4
100.01669	3.8
101.02438	4.7
109.02914	6.7
111.00880	11.2
112.98796	5.1
117.20405	1.1
123.00861	7.2
127.03995	1.6
129.01877	1.1
130.02730	1.8
131.00499	1.0
131.03496	1.7
135.00865	15.0
136.01585	1.0
137.02458	10.0
138.03185	2.6
142.54155	1.1
142.99805	4.1
145.01419	1.6
149.02461	2.3
151.00294	1.9
151.04054	1.4
153.01944	14.0
153.05542	1.5
161.02443	5.6
163.04002	3.8
164.04758	4.7
165.01921	81.2
166.02704	7.7
171.24191	1.3
173.00909	9.9
174.01691	3.0
175.04002	3.1
176.04785	3.3
177.01921	3.7
177.05539	1.9
178.06302	3.3
179.03479	26.2
179.07042	6.7
180.04272	62.3
181.05038	10.4
189.05504	2.2
190.02757	1.7
191.03476	3.9
191.05527	1.3
191.07124	2.6
193.05104	1.7
193.08667	2.2
194.05841	12.8
195.02902	3.3
195.06613	77.7
196.06876	2.2
203.03468	2.7
205.05005	3.1
206.05763	4.2
207.06606	2.4
209.08206	8.7
210.05334	16.9
211.06052	2.6
219.03020	2.3
221.08130	6.6
225.07674	53.0
229.82668	1.1
231.02963	1.3
234.05327	2.4
247.02448	4.2
247.05986	1.8
249.03894	2.3
249.07649	2.9
259.06015	1.4
261.04022	4.7
262.04886	6.8
263.05484	2.9
264.06308	4.2
265.07126	5.0
276.06378	3.4
277.07169	14.1
295.08109	1.3
297.06171	9.8
322.06778	1.7
337.09305	41.2
338.09616	1.6
399.14478	8.4
400.09973	2.3
405.11752	11.3
443.13550	5.7
455.13235	1.8
473.14474	2.8
481.87589	1.2
491.15637	21.5
492.15912	3.3
503.15549	3.2
510.33456	1.1
521.16577	3.5
533.16736	1.1
551.17474	1.9
561.15741	2.8
563.17523	8.7
564.18396	1.4
567.26428	3.0
609.18243	14.2
610.18121	2.0
627.19269	100.0
628.19525	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	627.2098
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
70.06208	2.0
73.02939	1.3
73.69801	0.9
98.17254	0.7
98.21863	1.0
281.06577	0.9
319.15671	1.3
341.33737	0.9
438.13354	1.5
451.13965	2.0
452.14944	4.8
480.14389	2.3
481.15076	9.2
493.15414	1.7
494.15594	1.1
495.16769	15.3
496.16956	2.2
508.17844	1.6
521.14911	1.2
523.20856	0.9
535.16321	2.5
536.16760	2.6
540.16357	3.4
551.19373	37.6
551.27808	1.8
552.19293	4.3
554.17841	1.7
555.19043	2.0
572.15259	2.0
595.18231	9.2
627.20966	100.0
628.21301	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	627.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25563	1.3
57.03452	1.8
59.01377	100.0
61.98822	3.4
64.00220	1.5
69.14442	3.2
69.14851	8.1
71.01380	51.8
72.99294	2.2
73.02943	2.0
83.01374	2.7
85.02945	6.2
87.00899	3.9
89.02444	72.3
90.91993	1.5
95.01395	2.9
96.96029	2.4
101.02438	23.6
113.02448	20.8
119.03501	26.8
125.02459	2.1
131.03494	3.3
135.04515	3.4
143.03522	6.1
149.04536	3.7
161.02446	4.9
161.04539	9.4
165.05595	2.1
178.33067	1.4
179.03430	2.3
179.05602	32.2
191.05629	2.7
209.08234	2.9
421.09454	3.0
553.41608	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	627.266
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83438	0.5
59.01386	6.1
61.98834	6.0
63.02195	0.5
65.60593	0.4
69.03448	0.6
69.13004	2.4
69.60094	0.4
71.01376	4.2
71.14619	0.4
73.02936	2.7
82.95374	0.5
83.01416	0.6
85.02950	1.5
89.02443	3.4
93.03500	0.9
96.96029	0.6
99.00896	2.5
101.02435	4.2
106.04271	0.8
107.05014	0.7
109.02954	1.1
111.00925	0.7
113.02435	1.6
116.92869	0.7
117.03474	1.2
119.03468	0.6
121.02955	0.8
122.06131	0.5
123.04532	0.6
125.02386	0.4
132.02185	0.9
133.02962	19.4
134.03760	14.9
134.04808	0.5
135.04535	15.6
136.04852	0.5
137.02451	4.4
139.04016	1.8
150.03239	0.7
151.00391	1.1
152.07202	0.9
161.02451	53.9
162.02782	1.4
173.04582	0.9
178.02710	2.7
179.03505	7.8
179.05006	0.3
180.03864	0.6
191.05650	2.7
269.04633	0.7
285.03989	2.2
287.05719	0.5
289.18094	1.0
315.15964	1.4
317.17566	6.2
318.18018	0.8
333.16901	3.6
353.14001	0.6
371.14966	1.0
394.30731	0.5
451.23331	1.0
466.19824	1.6
495.22354	7.8
496.22171	0.6
583.28278	0.4
595.23792	0.8
627.26617	100.0
628.26898	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	627.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
57.03444	1.6
57.40176	0.6
59.01377	56.3
61.98826	1.1
69.03463	1.2
69.12982	3.0
71.01379	38.6
72.99312	0.5
73.02943	14.8
73.41153	0.5
75.00869	1.3
83.01364	3.0
85.02949	10.3
87.00893	2.8
88.98797	1.2
89.02442	41.8
95.01392	1.8
97.02974	2.1
99.00876	18.2
101.02443	23.1
110.03914	0.5
111.00874	1.2
113.02442	9.5
115.04022	1.3
115.98824	0.5
116.92847	0.7
119.03497	3.9
123.04538	0.9
125.02466	3.2
129.01968	0.7
131.03490	5.4
135.04546	0.7
143.03439	0.9
149.04552	11.0
149.05779	0.5
151.00468	0.6
159.02983	0.6
161.02495	1.1
161.04555	2.8
170.34590	0.5
179.05547	0.7
191.05580	5.5
221.06662	0.6
233.06641	1.2
236.81799	0.5
251.07733	0.8
281.16742	0.5
299.05624	1.5
333.19211	1.5
421.09180	3.1
465.23425	1.4
477.23770	0.7
479.21301	11.8
495.24478	11.2
495.31134	1.0
496.24469	0.6
530.52808	0.6
567.28229	0.5
627.28723	100.0
627.99347	0.6
628.29138	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	628.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.7
60.99282	0.9
61.98829	11.1
63.02382	0.8
65.63780	0.7
68.99809	2.4
69.03451	1.1
69.32853	1.5
69.33240	2.1
71.01379	5.3
74.02467	3.4
74.59682	0.8
85.02939	2.7
88.98817	6.2
89.02436	2.5
93.03464	1.6
94.02977	1.2
96.95996	1.7
99.00877	0.9
100.00411	8.6
101.02454	2.5
104.03535	4.0
113.02444	1.1
113.03601	0.8
116.05017	1.5
120.69581	0.8
121.02952	0.8
122.02467	3.4
125.02459	1.0
130.01462	2.0
133.02954	3.7
135.04567	4.2
137.02521	0.9
138.62373	0.8
149.02446	1.1
150.03195	1.2
151.00375	1.7
161.02467	7.9
166.06639	1.1
167.06187	2.6
173.04608	1.9
173.06059	0.9
179.03500	2.8
180.04079	1.0
181.07689	1.6
191.05647	3.8
192.08032	0.9
195.09296	1.2
207.09206	1.3
209.07210	4.3
219.09308	1.2
220.06310	1.4
221.07243	1.1
221.10756	1.1
223.08611	1.1
235.08829	5.8
237.06691	6.1
237.10338	11.5
247.08749	8.1
249.06667	1.6
249.10338	0.9
250.07486	0.9
263.08194	11.4
264.08228	1.3
265.06985	1.7
265.09821	28.4
266.09610	1.8
269.04532	15.2
276.11508	1.1
284.03217	1.4
285.04007	12.2
286.04370	1.5
291.07770	17.3
291.11057	1.7
294.12378	2.5
304.10928	7.1
308.10599	1.2
308.14075	0.9
317.13098	1.8
322.12045	2.4
323.08023	0.9
323.93188	0.9
334.11926	5.9
338.11450	4.1
348.09927	4.8
366.10898	12.1
378.10828	1.2
396.11981	18.3
408.11850	2.9
416.07220	0.9
466.16122	1.9
541.53101	0.9
565.23029	1.1
581.68127	1.0
593.12915	8.8
598.20123	5.2
628.21436	100.0
629.21918	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	629.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87580	0.5
53.47152	0.5
59.01381	3.9
61.98820	3.2
63.02391	1.1
65.00314	0.8
69.03466	0.7
69.15260	3.2
71.01375	2.3
72.99292	1.4
79.93310	0.5
80.96531	0.7
81.47400	0.6
82.95404	1.0
83.01391	0.6
85.02949	1.3
88.98801	2.3
89.02440	1.1
93.03436	1.4
95.01358	0.7
96.96012	6.5
101.02436	2.1
105.14960	0.5
107.01376	1.4
109.02958	0.7
113.02464	0.7
117.03440	2.8
121.03011	0.7
133.02959	11.4
134.03737	1.1
135.04527	14.1
137.02429	1.0
145.02942	1.3
149.02470	2.7
149.06023	0.7
150.05394	0.5
151.00388	2.9
155.03467	0.5
159.04498	1.9
161.02443	40.3
162.02841	0.9
173.04506	1.8
177.02039	0.9
177.05602	3.0
179.03494	9.6
183.04489	0.9
191.05591	3.7
195.06560	0.6
201.05554	1.1
203.03519	1.0
217.05037	0.6
221.04568	2.3
224.04803	0.6
225.05449	2.1
227.03381	0.6
255.02888	1.0
268.03781	1.4
269.04538	100.0
270.04877	3.7
280.05887	1.0
283.02536	1.0
284.03259	1.8
285.04037	9.3
311.05167	0.6
323.07715	20.1
324.07965	0.6
456.42160	0.5
593.12982	65.2
593.67798	0.6
594.13312	5.6
611.16614	0.8
629.18866	1.9
629.28284	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	629.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66703	0.3
59.01381	2.3
60.99289	1.5
61.98833	3.0
63.02397	0.9
65.00330	0.8
69.03455	0.4
71.01371	1.5
72.99300	3.5
73.02952	0.7
82.95421	0.9
85.02937	0.9
87.00858	0.4
88.02624	0.4
88.98800	8.9
89.02441	1.6
89.99148	0.8
90.99198	0.7
93.03443	1.1
95.05020	0.4
96.96006	1.5
97.06574	0.4
98.21828	1.2
99.00920	0.6
101.02434	1.5
106.51731	0.4
107.01386	1.5
113.02390	0.6
117.03457	2.6
118.63692	0.4
125.02400	0.4
133.02956	2.5
134.03662	0.6
135.04521	2.3
137.02501	0.6
145.02953	0.8
147.04552	0.5
149.02478	0.8
150.99174	0.4
151.00349	1.7
159.04503	1.2
161.02437	5.9
161.04533	0.6
169.06554	0.5
173.04547	1.3
177.95729	0.4
179.03503	1.3
180.04184	0.4
183.04466	0.7
191.05574	2.7
195.06660	0.5
197.06258	0.6
209.11751	0.6
221.04491	0.5
225.05624	0.8
255.02942	1.3
269.04529	100.0
270.04865	4.0
283.02454	1.6
284.03235	0.8
285.04047	8.1
286.04294	0.9
323.07788	1.5
353.08356	0.5
431.10434	0.4
446.08630	0.4
449.14404	0.6
467.13055	0.6
593.12939	19.6
594.13391	1.7
629.19659	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	629.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19998	0.2
54.99461	0.1
59.01365	0.3
61.98827	3.7
63.02385	1.0
65.00341	0.5
70.25183	0.1
70.75359	0.1
70.75723	0.3
73.02979	0.2
74.57168	0.1
82.95415	0.6
83.01385	0.3
96.96033	0.2
105.03469	0.4
107.01379	1.6
107.05722	0.1
109.02968	0.7
121.02950	0.8
124.45727	0.1
125.02381	0.2
133.02950	5.2
134.03688	0.1
135.04498	0.3
137.09714	0.2
139.04170	0.2
149.02434	1.7
151.00363	3.3
151.03926	0.2
155.10809	0.8
161.02434	0.2
171.04578	0.2
175.03976	1.9
177.01886	0.4
184.42416	0.1
185.06076	0.3
189.05516	0.2
197.06158	0.2
198.03188	0.3
199.03967	1.8
199.09810	0.2
201.01888	0.7
211.03978	0.3
213.05618	0.6
215.03676	0.3
217.05013	1.4
229.05029	0.4
239.03419	0.3
241.05022	0.7
242.02003	0.3
243.03000	0.6
256.03799	0.4
257.04495	0.4
267.02911	0.3
269.04660	0.9
283.02548	0.3
284.03256	3.8
285.04022	100.0
286.01324	0.3
286.04379	4.9
287.05695	0.2
593.12927	0.4
629.18689	33.0
630.19031	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	629.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18779	0.7
51.86636	0.7
55.01881	1.2
57.03443	1.6
59.01377	100.0
61.98827	7.8
67.01887	0.9
69.03455	1.8
69.14874	3.9
71.01380	51.2
72.99306	2.0
73.02946	2.6
75.00849	1.0
83.01398	2.0
85.02946	9.7
85.94028	0.7
87.00871	3.1
88.98814	3.9
89.02441	77.9
93.03500	0.8
95.01383	3.3
95.73065	0.8
96.96001	4.6
97.02988	1.0
99.00857	1.1
101.02435	26.4
113.02454	23.1
116.92857	1.0
117.03436	0.8
119.03501	29.1
121.02956	3.4
123.04482	0.8
125.02451	1.4
126.90400	3.2
127.00150	1.5
127.49381	0.7
131.03482	3.3
133.02931	4.0
134.03783	1.2
135.04523	6.8
143.03494	7.1
149.02455	2.1
149.04549	3.5
149.05981	0.9
150.03224	3.5
151.03992	0.8
161.02443	12.3
161.04529	8.4
163.04044	1.5
164.04697	1.0
165.01918	1.6
165.05583	4.0
167.03448	0.9
167.75723	0.8
173.04561	1.3
179.03519	4.6
179.05608	38.4
180.04034	0.9
180.06030	0.9
181.05173	0.8
189.05623	0.8
191.05627	6.8
195.06593	2.8
223.06035	1.3
285.03912	1.1
353.08643	2.9
402.68710	0.9
467.14999	0.9
581.19995	1.6
629.23468	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	629.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
59.01379	9.5
61.98832	6.0
69.03465	0.5
69.74203	1.5
71.01382	5.9
72.99287	0.4
73.02953	2.6
81.03479	0.4
82.95409	3.5
83.01408	1.1
84.95100	0.6
85.00449	0.5
85.02951	3.1
87.00888	1.0
88.98836	0.4
89.02462	2.5
93.03464	0.8
95.01380	0.8
96.96019	0.9
97.02926	0.5
99.00890	1.9
101.02442	5.3
113.02454	2.0
117.03465	1.8
121.02955	0.8
123.04486	0.8
125.02494	0.6
131.03500	0.7
132.02135	1.0
133.02966	23.8
134.03749	5.4
135.04529	9.9
137.02457	1.4
139.03931	0.6
141.01714	1.5
151.00388	0.9
161.02444	77.8
162.02803	0.9
173.04564	1.1
173.06177	0.6
178.02731	0.8
179.03494	4.9
191.05598	2.3
201.09209	0.8
255.03024	2.0
269.04565	0.8
283.02362	1.6
284.03189	1.3
285.03946	2.5
301.07098	0.7
327.21744	0.5
329.13812	0.5
335.18527	6.3
384.37424	0.6
423.28870	1.0
446.08420	1.4
449.14868	0.5
467.13474	1.1
467.19763	0.6
479.22693	0.8
497.23917	13.2
498.24173	0.6
585.34613	2.8
593.12567	1.0
629.28003	100.0
630.28271	6.3
659.01923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81826	0.7
57.03432	0.8
59.01366	1.8
59.82224	0.7
64.05662	0.7
65.00323	1.2
71.01394	1.0
83.01384	1.0
85.02945	3.4
97.06590	2.4
103.77644	0.7
107.01399	2.5
108.02172	2.1
125.02454	1.7
134.03748	5.1
135.04524	1.6
136.01657	4.1
137.09708	1.2
151.00359	6.8
161.02429	3.6
163.11378	0.9
164.01169	9.5
171.10271	5.7
173.04510	1.3
174.03227	1.9
179.03546	1.0
183.13847	1.4
187.94925	0.7
188.34685	0.8
191.05658	1.2
196.00078	0.9
199.03992	2.6
201.01941	1.5
211.13383	10.5
211.55923	0.8
215.03432	1.4
221.11830	1.5
227.03662	0.8
229.14441	8.5
229.47432	0.8
239.12823	1.0
241.04961	1.1
242.05846	3.4
257.08273	1.6
258.05225	1.3
268.03940	0.8
283.06042	1.2
285.04074	2.8
286.04819	4.7
291.19748	2.5
301.07153	39.3
302.07550	2.5
327.21759	100.0
328.22061	5.0
629.27893	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	629.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78879	0.5
55.01877	2.5
57.03435	1.9
58.84233	0.5
59.01381	21.1
59.50735	0.5
69.03453	0.7
69.17927	2.1
69.18320	0.9
71.01382	22.5
72.99310	0.8
73.02944	12.3
74.99742	0.6
75.00874	0.5
83.01389	5.5
85.02953	12.2
86.00097	0.6
87.00885	3.1
89.02445	7.8
91.59715	0.5
95.01379	1.8
97.02950	2.0
99.00880	5.2
101.02450	27.0
106.13344	0.5
111.00884	5.4
112.74388	0.5
113.02464	9.5
115.04008	1.1
119.03490	0.8
125.02441	3.0
129.01924	1.3
131.03488	1.6
141.01959	0.6
143.03510	1.1
149.04544	0.6
153.90808	0.6
159.02983	3.1
161.02560	0.5
161.04565	5.2
162.03214	0.9
173.15469	0.6
179.05624	1.0
191.05641	1.1
233.06812	0.7
335.20709	6.8
396.56070	0.5
460.93784	0.5
467.25064	1.5
497.26074	14.0
498.26068	0.6
587.60657	0.6
629.30249	100.0
630.30664	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	629.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44553	0.3
59.01365	0.4
61.98829	0.9
67.21962	0.3
70.05751	0.6
82.26650	0.3
95.05016	0.6
98.21953	0.4
113.09746	1.8
117.55855	0.3
160.84233	0.8
170.17049	0.4
177.12889	0.5
179.14442	1.0
181.12411	0.4
186.02493	0.4
195.13898	12.2
236.09789	0.3
277.21732	11.2
295.22775	100.0
296.23117	2.6
333.18365	1.4
468.48227	0.4
529.32385	0.4
629.41339	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	631.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66747	0.6
57.03449	1.6
59.01376	7.2
60.99309	4.8
61.98830	2.0
67.01894	14.2
68.99826	3.3
69.03451	4.3
69.21783	1.0
69.22094	3.8
70.96021	0.7
71.01383	8.3
73.02971	0.6
81.03455	2.2
83.01466	0.6
83.05038	2.0
84.81068	0.5
85.02931	5.1
87.00878	18.3
89.02444	2.2
93.03459	89.7
94.03804	1.0
96.96003	1.1
98.21871	1.5
99.00866	1.4
99.04532	1.2
101.02441	4.7
109.02949	2.0
111.00866	0.7
111.04523	11.0
112.04929	0.8
113.02491	1.7
115.03983	0.7
119.05019	1.7
121.03024	0.8
127.03995	2.0
129.01944	2.2
131.05013	0.9
137.02449	0.7
143.03540	1.3
145.06685	0.9
149.02466	1.8
155.03503	3.5
162.39262	0.8
163.03987	2.0
165.01895	0.8
173.04555	32.6
175.07620	1.0
189.05646	1.0
191.05615	58.7
195.06638	2.1
201.05544	1.6
219.06641	0.8
233.08261	1.5
277.07101	4.7
285.85645	0.6
359.74561	0.8
437.11053	0.9
483.54855	0.9
631.18799	100.0
632.19232	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	631.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28766	1.0
53.73073	1.0
57.03433	6.1
57.12840	0.9
59.01377	6.8
61.98829	5.1
65.00317	8.4
68.99834	1.5
69.03467	1.9
69.17250	6.5
71.01380	4.4
72.99297	1.1
73.02921	1.9
75.00865	1.0
80.91689	2.6
81.03448	3.0
82.95409	17.5
83.01374	7.3
84.95132	1.6
85.02937	1.3
87.00905	1.2
89.02449	2.9
92.97414	1.1
93.03458	1.9
95.01382	1.0
96.96031	1.9
97.02977	1.0
98.22736	1.7
101.02455	3.7
107.01372	11.4
109.02959	1.7
116.92864	1.5
119.03630	1.0
121.02938	1.7
123.04522	24.4
125.02441	61.7
126.90375	1.0
131.01387	2.4
133.02965	2.9
134.03770	1.4
135.04533	6.7
137.02438	5.2
138.02785	1.2
139.04019	1.2
145.02812	1.1
147.04680	1.1
149.02448	3.4
150.03186	3.1
151.00369	47.3
151.03926	3.1
153.05525	1.2
159.04471	1.8
160.05258	1.6
161.02429	10.1
165.01941	1.5
165.05589	4.1
167.03487	55.0
172.05258	5.3
173.04620	1.9
173.06104	3.1
175.00345	8.6
175.07619	3.0
176.04732	1.2
177.01909	2.7
177.05573	1.2
179.03537	5.8
179.04942	0.9
180.04263	2.2
181.05110	1.7
187.03964	4.8
189.09058	1.0
191.03564	6.9
191.05305	5.5
193.01385	1.1
195.06583	2.8
199.03992	2.2
200.04723	5.6
201.05519	2.4
201.09210	4.4
202.06281	2.1
209.04602	2.8
209.08142	2.0
211.07472	1.2
213.09254	1.1
221.04526	1.4
227.03387	6.2
227.10693	1.9
228.04214	5.7
229.12376	1.3
239.10619	2.1
255.10258	26.5
255.13972	2.0
269.04529	3.5
273.11316	13.0
281.06952	1.1
281.11902	5.4
283.09720	12.7
285.03848	5.0
297.11197	1.6
299.05988	1.4
299.09216	4.8
299.12872	11.0
301.10800	33.7
301.22769	1.1
302.11081	1.4
309.04068	5.9
310.04810	4.0
313.05872	1.7
317.14032	3.9
325.10773	4.3
329.08713	2.6
343.11835	36.9
344.12054	1.3
423.14529	1.2
425.12341	14.4
426.12881	1.2
433.08942	1.5
451.13776	10.5
469.15012	100.0
470.15393	5.1
475.13892	1.4
479.20859	2.0
493.14877	2.5
569.19373	1.4
587.18213	3.1
595.27307	1.6
613.19214	2.4
631.19910	30.4
631.34656	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	631.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.9
59.01379	4.4
61.98841	2.5
63.02379	0.8
65.00325	11.9
66.10176	0.5
71.01364	2.6
73.02961	1.0
81.03490	0.7
83.01383	5.8
85.01844	0.4
85.02952	0.8
87.04514	1.3
89.02478	0.7
93.03479	0.6
95.43690	0.5
96.96030	1.0
97.02966	0.8
98.21898	1.8
101.02444	1.7
107.01392	20.3
109.02947	1.6
109.06593	2.2
123.04510	0.7
125.02450	16.1
133.02966	2.6
134.03772	1.0
135.04527	61.5
136.04872	1.1
137.02402	0.9
137.09738	2.0
149.02457	0.8
151.00375	100.0
152.00725	1.1
155.03400	0.8
155.10779	11.2
161.02438	5.8
163.11287	1.4
165.01895	0.7
169.01414	1.0
169.12318	1.0
173.04553	0.7
175.00362	1.4
177.01950	1.8
179.03458	0.9
181.12349	0.7
191.05603	1.3
199.09763	14.8
199.11543	1.1
207.10237	3.2
209.11928	1.0
213.11429	0.6
225.11340	1.1
241.10783	4.3
253.10936	0.8
269.04620	1.3
269.13925	2.0
283.11884	6.1
285.04108	5.5
286.04480	0.5
287.05612	63.5
288.06012	3.2
301.13046	1.7
343.13968	11.7
361.15137	1.6
469.15186	2.6
495.14960	0.7
631.20441	24.5
631.30109	5.6
632.20850	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	631.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.6
59.01378	15.9
61.98833	9.2
65.00318	6.9
68.99819	1.4
69.03448	2.2
69.20308	5.8
71.01383	11.4
73.02940	1.6
80.02689	2.1
81.03448	3.5
82.95408	1.5
83.01392	4.3
83.05028	4.8
84.95123	1.6
85.00420	1.8
85.02954	3.4
87.00858	1.4
89.02448	4.0
93.03456	3.2
95.01401	2.2
95.05050	1.8
96.95995	1.3
97.02945	8.7
97.06618	1.1
99.00896	1.5
101.02454	6.4
106.04261	1.1
107.01384	10.4
107.05019	2.9
108.02186	4.7
109.02920	1.3
109.06591	43.2
110.03730	3.4
111.00912	1.2
113.02474	1.7
119.03483	0.9
121.02962	2.2
121.06586	2.5
123.04527	3.8
124.01615	2.0
125.02454	9.8
125.09744	1.4
131.01335	1.0
133.02962	4.2
134.03777	13.0
135.04549	16.0
135.08179	4.7
136.01668	7.1
136.05272	1.2
137.02487	1.7
142.02731	1.4
145.10214	1.0
151.00378	43.6
151.07544	1.2
153.01862	0.9
155.03546	1.4
155.05057	1.6
160.01668	2.7
161.02446	9.7
161.06093	1.1
161.09738	2.1
162.02792	1.8
163.00377	2.5
163.11293	22.2
164.01152	26.0
165.01926	1.8
167.03452	2.5
171.04526	1.9
171.10252	2.3
172.05252	1.3
173.02408	1.1
173.04547	1.2
174.03204	9.0
175.00348	6.8
175.03966	2.3
177.01929	5.0
179.03552	1.1
179.10861	1.3
181.12354	9.0
185.02432	1.5
185.11821	2.2
187.04030	1.8
188.01054	1.0
188.04865	1.3
189.05531	1.4
189.09184	1.4
191.05605	9.3
196.00134	4.0
197.11861	1.5
198.03242	2.4
199.04004	16.0
199.09738	5.7
200.04691	1.3
201.01900	8.9
207.10258	54.9
208.10684	1.5
209.11784	1.2
211.04044	1.3
213.05522	2.9
215.03427	4.5
216.04257	1.5
224.04855	1.5
225.11301	19.1
227.03465	4.1
230.05933	1.3
240.04347	2.8
241.05028	10.2
242.05838	5.9
243.03008	1.4
243.12419	2.5
257.04495	6.0
258.05347	4.0
268.03717	1.2
285.04041	45.4
286.04810	32.1
287.05484	4.4
299.05606	3.3
299.12790	2.5
301.10861	2.3
310.04932	2.7
317.13892	1.9
343.11807	4.1
347.11377	1.2
444.14438	1.0
447.09326	4.7
448.10117	18.7
451.14050	4.4
469.15015	100.0
470.15402	5.4
511.16473	3.6
595.36969	9.1
613.19019	1.4
630.28387	4.1
631.19098	8.8
631.27142	2.9
631.34412	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	631.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84652	0.5
58.30255	0.5
59.01381	11.3
59.80981	0.5
67.01890	19.1
68.99815	15.6
69.03453	4.4
71.01363	0.8
71.44678	0.7
80.69646	0.5
81.03471	1.1
83.01343	0.5
85.02972	0.9
86.44786	0.5
87.00883	0.6
89.02438	1.1
93.03429	0.5
95.01368	0.8
95.05026	100.0
96.05360	1.5
96.96014	1.5
97.02951	7.7
99.04529	1.5
101.02444	34.0
102.02721	0.5
105.54797	0.5
109.40942	0.5
111.00883	17.6
111.04530	0.7
112.01674	0.8
114.83379	0.5
119.05067	0.9
121.02958	18.9
121.06586	3.6
123.04543	6.6
125.02438	2.0
125.19816	0.5
127.04013	64.4
128.04340	1.6
133.19017	0.5
137.06100	0.8
139.00377	44.4
139.04016	16.4
139.05116	0.8
141.01672	2.5
147.04509	1.5
149.02461	1.2
151.07669	0.7
154.51434	0.5
165.01901	1.0
165.05560	9.8
167.07217	1.2
171.02982	0.9
181.05101	0.9
191.05576	3.1
195.06647	1.1
197.08163	9.5
209.04570	4.6
213.07687	0.8
227.09282	0.7
241.07175	52.9
242.07518	1.4
243.08884	0.5
273.09833	1.2
347.11356	0.9
489.16293	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
57.95619	0.6
59.01378	17.7
67.01933	0.8
69.30645	2.7
69.31042	1.5
71.01392	5.1
72.99329	0.8
73.02951	8.3
75.00868	1.0
83.01382	6.3
84.83949	0.6
85.02950	3.1
87.04523	1.8
89.02473	1.4
93.03466	0.9
93.93522	0.6
97.02942	1.5
97.12357	0.8
101.02437	5.6
102.99231	0.6
108.02178	1.6
109.06646	1.0
113.02441	1.2
121.02956	0.9
123.04521	1.2
133.02930	1.2
137.02455	6.0
138.01968	3.0
138.03128	0.9
139.02269	0.9
139.07669	0.7
139.11301	8.5
145.80156	0.7
150.03264	0.9
152.01134	1.9
161.02440	1.6
162.69711	0.6
165.01932	55.9
165.09233	1.3
166.02594	2.4
167.03418	0.7
169.12341	2.3
179.03505	1.3
179.10782	1.4
180.04286	42.9
181.05066	6.0
181.12376	3.8
182.00920	2.7
183.01196	0.7
183.10263	9.6
191.05598	3.7
192.06006	1.3
195.06627	100.0
196.06877	1.4
197.11833	1.9
199.13457	0.7
201.11308	1.7
209.11974	0.6
213.05406	0.7
225.11322	10.2
227.12830	0.8
243.08708	7.4
243.12378	9.7
245.13919	0.6
249.11273	1.7
267.12335	1.6
285.13333	1.6
291.12488	3.2
309.13382	1.1
327.14651	3.2
350.28793	0.7
387.16577	15.9
439.15167	0.7
482.55875	0.7
489.25296	0.7
582.29669	0.7
595.29968	1.5
630.30627	1.1
631.25922	33.4
632.26025	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	631.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
57.03426	1.0
59.01378	23.9
61.98837	4.3
64.45093	0.8
68.99818	2.5
69.03460	3.0
69.63684	2.8
70.03275	0.8
71.01382	13.4
71.05031	1.3
73.02938	2.0
80.02675	2.3
81.03460	6.2
82.95417	2.4
83.05043	7.3
84.02194	1.4
84.46346	0.8
84.95134	3.1
85.00436	3.5
85.02971	3.2
87.00875	0.9
89.02442	5.6
93.03451	2.4
95.01399	2.7
95.05038	3.3
96.96044	1.1
97.02959	12.6
97.06614	1.0
99.00883	1.2
101.02445	5.0
106.04216	1.5
107.01397	1.7
107.05041	4.1
108.02211	1.3
109.02990	1.3
109.06593	76.6
110.03736	6.4
110.06908	1.1
112.73255	0.8
113.02466	2.0
116.92834	1.6
119.03512	1.8
121.02975	2.8
121.06604	6.7
123.04522	3.5
123.08194	1.0
125.02405	1.1
125.06086	1.2
125.09729	3.5
127.04035	1.0
133.02931	1.6
134.03748	2.3
135.04527	2.6
135.08171	8.1
136.05315	3.5
137.02393	1.0
142.02721	4.5
151.00359	6.4
151.07697	1.7
155.03503	2.9
161.02466	1.9
161.09703	4.2
163.11293	42.5
164.01155	4.3
164.11742	1.0
165.09183	1.2
171.10257	5.7
173.04485	1.2
174.03261	1.4
177.01909	0.8
179.03481	1.1
179.10851	1.8
181.05112	0.9
181.12338	17.2
185.11809	3.1
189.09146	2.4
191.05612	6.5
196.00131	1.3
197.11887	1.0
199.03957	1.8
199.09738	10.7
201.02057	1.1
207.10266	100.0
208.10574	2.8
209.11748	1.7
219.04753	0.9
225.11327	41.6
226.11725	1.4
227.03481	1.0
242.05879	1.4
243.12354	3.3
269.04489	1.0
284.03104	1.6
285.04034	8.0
286.04715	5.6
287.05408	1.4
299.05457	1.1
300.40836	0.9
301.10791	1.2
320.41525	0.8
437.36783	0.9
447.09070	1.1
448.10278	5.0
469.14960	15.8
469.25229	1.0
470.15460	1.6
477.41214	0.8
571.31592	1.2
595.37500	1.2
631.20941	2.5
631.32703	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	21.7
61.55486	0.7
61.98825	3.0
66.22670	0.7
67.01894	0.9
67.30092	0.8
67.66911	0.6
68.99827	2.0
69.03461	2.2
69.78403	0.8
69.78718	2.3
71.01373	16.7
72.99253	0.8
73.02943	3.0
80.02686	2.4
81.03451	7.4
82.95409	2.8
83.01388	1.8
83.05009	5.0
84.02182	1.2
84.95121	10.4
85.00424	9.9
85.02943	6.0
87.00928	0.8
89.02432	5.0
93.03465	2.9
95.01383	1.8
95.05036	3.0
97.02944	14.9
99.00874	2.8
101.02446	9.3
107.05036	2.3
109.06586	75.7
110.03741	7.9
113.02455	3.2
119.03489	1.5
121.02973	2.9
121.06593	3.5
123.04526	3.1
125.09731	2.5
133.02963	1.0
135.04549	1.6
135.08154	8.1
136.05298	3.4
139.00394	0.9
142.02710	3.9
143.03532	1.5
145.10201	1.4
151.00455	1.0
151.07619	1.2
155.03511	3.6
161.02466	1.6
161.04625	4.0
161.05832	0.9
161.09763	4.2
163.11282	36.9
165.05579	0.9
165.09244	1.1
171.10257	3.3
173.04596	1.2
179.10776	1.6
181.12331	16.5
181.13889	1.2
185.11852	2.3
189.09149	2.0
191.05653	3.2
197.11816	1.3
199.09702	5.9
207.10249	100.0
208.10577	3.0
209.11780	1.0
211.13428	1.0
225.11301	35.2
226.11980	2.7
243.12411	5.0
284.03140	1.2
285.03903	1.6
301.14542	0.9
425.30533	1.5
587.35779	4.4
631.25275	1.8
631.34906	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	631.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94926	2.1
52.76366	1.8
52.77019	2.0
54.26883	2.1
59.01374	27.4
60.99293	4.3
61.98813	9.6
65.00310	3.8
69.03461	3.0
69.55465	5.5
71.01380	17.4
73.02941	6.9
83.01379	6.1
85.00433	2.1
85.02943	7.7
87.00875	2.9
88.98801	30.6
89.02444	8.0
93.03455	4.8
95.01357	3.2
96.95964	5.5
97.02934	6.4
99.00886	2.9
101.02438	16.3
101.79443	2.4
107.01377	11.6
107.05008	2.4
108.02148	3.4
109.02969	2.4
109.06596	29.3
110.06966	2.4
113.02422	6.9
119.03418	2.6
121.06606	4.1
121.50029	2.7
122.02493	3.0
123.04568	2.6
125.02435	7.0
133.02945	4.7
134.03735	6.1
135.04506	28.2
135.08127	4.7
136.01729	2.3
151.00375	45.9
155.03462	2.3
155.10822	2.6
161.02399	8.4
161.04539	2.4
161.09708	3.2
163.11275	16.1
164.01152	8.2
173.04559	5.2
174.03235	2.8
175.00345	3.5
177.01958	4.4
179.03481	3.8
181.12354	5.2
184.73952	2.6
191.05608	13.2
199.04019	2.9
199.09746	5.3
201.01929	4.3
207.10245	42.6
225.11351	13.4
236.23543	2.5
241.04976	3.9
242.05850	2.9
285.04059	19.1
286.04745	12.5
287.05560	23.0
343.13998	3.0
357.09732	4.5
371.11383	3.1
372.12027	6.4
448.10007	7.2
463.32559	4.7
469.15057	28.1
470.15225	4.2
534.17413	2.6
595.36920	63.1
596.37115	4.4
631.21075	9.4
631.34619	100.0
632.21368	2.7
632.34918	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	633.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77145	0.5
57.03429	0.8
59.01379	21.9
62.33204	0.4
65.03956	0.8
66.12039	0.5
67.01883	2.6
68.99812	3.5
69.03457	6.2
69.64497	1.6
71.01379	17.8
71.06216	0.4
72.99302	1.5
73.02946	1.5
83.01394	1.1
85.02950	2.3
87.00876	40.9
89.02453	1.7
90.32343	0.5
93.03455	2.9
95.04984	0.5
97.02955	5.6
98.21889	0.7
99.00880	1.7
101.02435	6.5
105.03482	0.5
107.05072	0.6
113.02428	3.7
115.00372	58.5
116.00732	0.6
119.00758	0.5
119.03465	0.5
121.02959	2.9
121.06602	1.2
123.04508	3.6
126.32362	0.5
127.00366	0.7
127.04013	10.3
135.04445	0.6
137.02457	0.7
149.02422	1.7
149.06099	1.7
153.05569	8.5
167.07156	2.4
175.02477	100.0
176.02812	1.4
181.05095	4.9
193.04973	0.5
225.04027	3.3
363.14169	0.5
391.52991	0.5
432.04492	0.6
450.74384	0.5
457.13510	64.0
458.13943	4.6
459.86670	0.6
485.16156	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99603	0.4
58.00586	0.7
59.01379	17.3
61.15484	0.4
64.43909	0.4
67.01892	2.0
68.99818	3.8
69.03120	0.8
69.03464	8.6
69.64561	1.7
71.01384	17.4
72.99313	1.5
73.02961	1.3
83.01400	0.9
85.02966	1.9
87.00880	33.5
89.02436	3.3
93.03467	3.5
93.70914	0.4
95.01366	0.6
95.05050	1.1
96.96008	2.2
97.02953	19.9
98.22639	0.9
99.00871	1.5
101.02447	7.1
103.26119	0.4
105.03449	0.7
107.05048	0.6
107.22187	0.5
108.02148	0.8
111.00858	0.9
112.98790	0.6
113.02441	3.9
115.00377	51.4
116.00675	0.5
119.03464	0.7
121.02976	3.9
121.06617	1.4
123.04539	9.2
127.00412	0.6
127.04014	11.0
133.03011	0.5
135.04565	0.5
137.02467	0.7
149.02432	1.3
149.06079	2.0
150.03168	0.4
151.03979	0.8
153.05582	7.6
161.02428	0.9
163.03958	0.7
165.05592	0.5
167.07124	6.6
173.06061	0.5
175.02481	100.0
176.02786	1.4
179.03436	0.6
181.05058	5.1
191.05614	1.1
191.07132	0.6
193.05049	1.0
195.06764	0.7
199.09721	0.9
201.59488	0.4
222.34795	0.5
225.04015	3.3
340.92401	0.5
369.48203	0.5
420.65585	0.5
457.13522	62.3
458.13776	3.7
515.13165	0.7
637.45612	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	633.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76031	1.7
55.01852	1.7
59.01378	32.4
60.99292	2.7
61.98811	3.3
64.80808	1.7
67.01877	3.0
67.64285	1.8
69.03454	79.6
69.96339	4.3
69.96683	1.9
71.01389	14.8
73.02954	11.8
78.95900	1.8
82.79865	1.6
83.01392	2.0
85.02930	2.2
89.02435	2.9
90.50932	1.6
92.15535	2.4
93.03457	16.2
95.05018	3.4
96.95992	2.6
97.02945	100.0
97.06574	3.0
101.02420	4.6
104.06588	1.8
105.03452	6.1
111.08143	1.9
113.02435	2.9
119.05040	2.5
121.02921	2.0
121.06573	5.1
122.60857	1.8
123.04514	17.7
124.23341	1.8
133.92421	2.0
139.07634	2.5
141.01866	8.4
147.04425	2.0
149.06081	41.8
167.07150	12.5
171.10214	3.3
182.60939	1.6
193.05045	55.2
209.11804	2.2
218.35912	1.7
223.67120	1.8
237.70428	2.1
255.23363	8.4
273.22232	7.7
277.21741	49.6
291.20047	2.2
291.23276	46.3
301.21771	5.1
305.17337	2.7
309.20825	3.3
319.22763	15.1
483.27164	5.7
633.32709	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	633.3636
Annotation	Unnarmicin A
Peak:m/z	Relative Intensity
55.01880	3.2
55.29046	0.6
57.03442	3.2
58.00580	0.7
59.01377	51.5
61.98830	5.1
65.00315	1.0
68.99809	1.0
69.03445	2.3
71.01380	54.3
72.99316	1.4
73.02556	1.3
73.02946	23.1
75.00867	1.4
82.95404	1.7
83.01393	11.4
84.92340	0.7
85.02951	28.0
86.00090	2.0
87.00883	3.4
88.98826	0.7
89.02444	17.8
93.03434	1.5
94.98095	1.6
95.01386	4.2
96.96011	2.7
97.02940	2.5
99.00875	8.7
101.02445	56.9
102.02734	0.8
105.03427	0.9
107.01369	0.9
109.02937	0.9
111.00875	1.8
113.02448	24.8
116.92854	1.1
119.03497	4.0
123.04500	1.1
125.02488	3.1
129.01938	2.1
131.03499	2.1
132.79410	0.7
133.02969	2.5
134.03793	1.2
135.04527	5.5
137.02415	1.0
141.01881	0.6
143.02440	0.6
143.03459	3.1
149.02432	0.7
149.04552	2.8
150.03223	1.8
151.00360	3.7
155.03525	1.7
155.10689	0.9
159.02998	8.1
161.02582	5.5
161.04562	35.4
162.02681	0.6
162.04782	0.7
163.04021	0.8
165.05569	1.5
173.04573	2.2
175.03790	0.7
177.01917	1.2
177.05519	0.7
179.03577	3.0
179.05588	2.1
187.07661	2.3
191.05629	4.9
192.05981	0.8
195.06708	1.6
199.04024	0.8
199.09772	1.1
213.09116	0.7
215.07234	1.1
221.04561	0.9
229.26256	0.7
231.10315	1.9
257.08090	1.6
269.04495	3.4
275.09286	2.0
284.03107	1.4
285.03979	6.1
286.04449	1.1
287.05460	2.3
301.07007	1.1
359.11108	0.7
375.12933	0.7
383.09787	0.8
395.29413	3.2
397.35568	0.7
425.30481	1.8
427.32428	0.9
447.09103	0.8
465.27536	0.6
471.31299	6.4
481.22919	0.8
536.15479	1.7
552.13837	0.8
589.37427	50.6
590.37628	3.1
633.36426	100.0
634.37128	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	633.3649
Annotation	Unnarmicin A
Peak:m/z	Relative Intensity
57.03455	0.8
59.01379	39.1
60.83234	0.4
61.98819	1.4
64.95388	0.4
65.00323	1.4
67.01903	0.4
68.99805	0.4
69.03452	0.8
69.16553	2.6
71.01384	17.3
72.99302	0.7
73.02943	1.6
82.95411	1.0
83.01382	1.8
85.02951	4.0
88.98780	0.5
89.02446	16.4
93.03465	0.6
95.01382	1.7
96.96016	1.5
99.00867	1.3
101.02450	12.9
107.01387	1.9
109.02939	0.6
113.02450	5.4
119.03492	4.6
124.86757	0.4
125.02433	1.1
131.03491	0.7
133.02979	1.9
134.03758	0.9
135.04539	9.0
137.02452	0.8
149.04555	2.5
150.03178	0.7
151.00371	8.9
155.03484	0.5
161.02483	2.4
161.04547	0.4
164.00761	0.4
165.05531	1.1
173.04497	0.7
175.00343	0.5
179.03500	0.8
183.10266	1.0
184.44661	0.4
187.07646	0.5
191.05612	2.1
195.06648	1.1
209.11841	0.6
225.11482	0.6
246.63655	0.4
257.08218	0.6
269.04547	1.3
270.04907	1.2
284.00446	0.4
284.03284	1.7
285.04077	10.3
286.04349	1.1
287.05624	7.5
288.05927	1.2
292.05975	0.5
299.05692	0.4
316.28668	0.6
327.04855	0.4
447.09314	1.2
453.30090	3.7
471.31332	0.6
552.13757	0.5
595.13568	1.5
633.36426	100.0
634.36908	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	633.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01926	2.0
57.03460	2.9
59.01374	6.2
61.98825	6.1
69.03445	4.3
71.01360	2.4
71.05006	5.3
71.44778	2.5
75.18803	2.1
78.95885	4.0
81.03457	2.3
83.05019	3.6
84.95106	3.1
90.15211	2.0
90.70511	2.3
95.04985	3.8
96.96017	3.2
97.02946	3.7
97.06599	4.3
107.05051	3.8
109.06622	12.5
125.09730	8.0
135.08194	5.7
137.09698	4.4
141.05562	6.4
141.09210	2.0
153.09221	11.8
162.83929	11.7
163.11276	7.0
164.83624	6.2
165.12868	3.3
169.12354	3.9
171.10229	14.8
181.12320	4.3
185.11859	9.0
191.14427	8.7
197.11842	19.8
199.13333	2.9
207.10197	6.9
209.11827	34.2
211.13411	15.4
225.11343	7.0
227.12878	4.2
245.19098	17.8
277.51852	2.0
287.16534	4.2
289.18085	62.1
290.18393	4.4
305.17542	28.5
307.19147	100.0
308.19498	4.3
323.18619	28.1
325.20197	74.8
326.20532	6.4
327.21796	9.1
343.21259	2.7
441.71048	2.4
442.52640	2.5
533.53223	3.5
551.33093	2.6
597.37891	4.9
615.38861	17.6
633.17694	5.0
633.30328	3.2
633.39526	12.0
634.16199	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	635.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93719	0.6
59.01381	6.0
69.19147	3.7
71.01383	4.9
73.02937	1.1
77.30858	0.7
78.95918	1.0
79.95722	1.4
83.01387	1.0
85.02953	2.4
89.02449	2.0
93.03459	2.4
95.01419	0.8
96.96010	44.0
98.21938	1.4
99.00852	1.1
101.02419	1.8
108.02190	0.8
109.02950	10.4
111.00874	5.1
113.02435	1.1
116.92858	3.0
117.03555	0.7
121.02911	0.9
121.06525	0.7
123.04530	1.0
125.02509	0.8
131.05016	1.9
132.02209	1.0
133.02950	34.1
134.03685	2.3
135.04523	33.5
137.02466	1.0
147.04517	1.7
148.05328	1.3
149.02429	2.3
149.06079	12.1
159.04538	3.4
159.37192	0.9
161.02440	100.0
162.03162	5.5
163.04010	3.5
164.04694	1.4
165.05545	2.5
173.04530	0.7
175.03979	3.3
176.04799	1.2
177.05569	76.0
178.02641	0.8
178.05782	2.2
179.03493	16.0
181.05008	0.8
187.03972	1.3
189.05531	2.9
191.03769	5.3
191.05515	6.7
193.05038	0.8
195.06606	0.8
201.05498	1.6
203.03479	2.8
205.05055	1.2
207.06575	1.3
207.46408	0.7
213.05508	0.8
219.02948	0.8
219.06563	1.2
221.04543	27.4
231.06625	3.5
233.04527	6.2
233.31479	0.7
239.05391	0.9
249.07639	3.5
257.04425	2.1
267.08636	2.7
275.05618	2.5
280.05966	1.2
293.06683	8.6
311.07745	13.2
323.07706	32.9
324.07925	1.5
383.09738	1.9
383.14822	0.8
393.11783	1.1
393.47031	0.7
455.11673	1.3
473.12524	3.8
513.14026	1.0
545.12982	25.5
545.21381	1.2
546.13232	1.9
555.15033	1.2
557.12665	1.5
573.16498	2.0
581.13245	1.3
599.13104	1.1
617.15332	10.7
635.16040	41.6
636.16327	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	635.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.1
71.01376	3.0
73.02935	1.2
73.37379	0.8
85.02943	2.4
89.02444	2.3
90.12740	0.8
93.03443	0.8
96.96025	2.4
97.02949	0.7
101.02438	2.1
105.03477	1.1
107.05056	1.5
109.02950	11.5
110.58863	0.7
111.00873	2.4
113.02435	1.1
116.92870	0.9
117.03490	1.1
123.04540	1.6
132.02129	1.4
133.02962	29.0
134.03711	2.9
135.04529	44.5
136.04883	0.8
137.02406	1.6
143.05008	1.9
146.03757	1.8
147.04495	1.7
148.05327	1.5
149.02484	1.3
149.06078	18.8
151.04001	1.1
151.07672	0.8
159.04510	2.6
160.05231	1.6
161.02443	100.0
161.06042	8.2
161.47009	0.8
162.02887	2.9
163.03995	1.9
163.07664	1.0
165.05548	2.6
166.85704	0.7
171.04547	1.7
173.04651	1.2
173.06079	3.4
174.03200	2.2
175.03992	5.5
177.01878	1.2
177.05553	14.6
179.03506	17.4
187.03970	1.0
188.04745	3.1
189.05563	30.6
191.03534	2.1
191.05551	1.0
191.07156	2.1
193.04877	0.9
195.06595	1.2
201.05577	1.6
203.03511	2.5
203.07146	2.2
205.05061	1.5
205.08717	1.0
207.06621	10.2
208.17294	1.0
219.06618	3.0
221.04546	20.3
231.06621	15.7
232.07079	1.0
233.04453	1.9
235.06042	4.4
239.05551	1.0
249.07707	6.0
251.05573	3.5
263.05603	2.0
279.12115	0.9
280.06091	1.1
293.06766	1.8
311.07755	3.1
323.07724	46.5
324.08112	1.7
351.10794	1.5
383.09882	1.5
393.11749	3.2
397.11032	0.9
401.10629	1.3
411.13110	1.8
413.10806	1.6
455.12366	1.1
457.13449	1.6
458.14142	1.2
473.12900	3.4
487.27908	0.7
497.14584	1.7
513.14008	9.8
514.13953	0.9
525.13501	0.8
529.13403	1.3
531.15161	2.1
543.15271	1.2
545.12933	8.3
555.15076	5.2
557.13092	2.4
559.14764	2.1
563.13995	7.0
573.16150	1.6
575.14020	4.1
577.15649	5.5
605.14911	2.1
617.14886	3.6
635.16010	19.0
635.26013	1.1
636.16333	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	635.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.9
61.98832	2.1
64.71780	1.2
68.99810	2.0
69.16119	7.9
70.49082	1.1
71.01370	4.0
82.95407	4.8
83.01395	1.5
85.02923	1.8
88.98799	2.8
89.02428	3.7
96.96006	18.9
101.02429	3.4
103.00400	1.7
103.01483	2.9
111.00871	1.4
113.02461	1.9
126.90408	2.2
133.02936	1.9
134.03716	1.3
135.04495	3.5
146.03734	1.4
158.03772	2.2
159.04509	11.9
160.05289	7.2
161.02463	2.9
172.05301	50.5
173.06079	19.5
177.01926	1.9
183.04558	3.2
185.06068	25.0
186.06801	2.9
187.04021	6.7
187.07611	7.3
191.05547	3.0
197.06129	3.0
199.03934	5.0
199.07590	3.1
200.04759	5.2
201.05562	43.3
202.06351	2.1
204.04240	2.8
213.09167	1.8
215.07068	4.6
216.04321	4.9
227.03497	13.8
227.10767	2.5
228.04256	6.6
229.04980	2.6
239.07069	2.7
243.06660	2.2
245.04558	21.4
255.13889	4.3
257.15530	2.0
283.13391	51.5
283.16577	3.0
284.13583	2.4
285.03995	3.0
301.14407	16.1
309.14905	8.4
311.12811	9.4
325.14404	3.9
327.12286	10.3
327.16013	6.2
329.13943	8.9
343.15811	1.8
345.13373	12.1
345.16949	1.9
349.18124	1.9
353.13843	4.8
371.14966	55.9
372.15179	2.5
395.18558	2.9
411.17819	1.9
435.93222	1.5
455.26883	1.9
473.28827	1.8
567.33221	5.8
591.24432	66.1
592.16205	1.3
592.25177	4.3
626.70123	1.4
635.27032	100.0
635.34851	3.7
636.27356	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	637.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80891	0.6
59.01380	9.0
61.98826	0.6
66.78001	0.5
67.01914	0.5
68.99815	1.9
69.03466	1.7
69.38963	2.6
71.01392	5.2
73.02951	1.1
85.02946	2.3
87.00861	1.0
89.02436	4.9
89.04004	0.7
95.01380	2.9
96.95988	3.1
101.02439	10.1
105.03463	0.6
107.05018	1.4
109.02987	1.0
111.00867	0.7
113.02457	2.1
116.92867	2.7
117.03452	1.3
117.92815	0.6
118.13389	0.5
119.03513	1.5
123.04568	0.6
132.02176	1.6
133.02960	30.1
133.05087	1.0
134.03806	4.4
135.04527	71.3
136.04842	2.6
136.62555	0.6
137.02449	0.9
149.04521	0.7
149.06052	0.8
151.04015	0.6
151.06140	0.7
155.03497	9.2
159.04500	0.6
161.02444	100.0
162.02760	3.9
163.02931	0.8
172.05275	0.7
173.06026	0.8
177.05557	1.4
179.03497	48.6
180.03842	1.1
191.05600	1.8
191.07162	0.6
221.04633	1.3
222.04829	1.0
260.55933	0.6
284.03329	0.8
285.03986	1.2
295.08148	0.6
323.07578	0.6
324.08142	0.7
325.08047	0.6
405.13882	3.4
447.09274	1.7
457.13556	8.8
458.13614	0.7
475.14407	20.5
476.14944	1.0
547.13715	0.9
577.21027	1.5
628.05316	0.6
637.17645	64.8
638.18250	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	637.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.5
69.03445	0.5
69.53712	2.2
70.14481	0.6
70.58861	0.5
71.01382	3.9
73.02927	0.7
85.02972	1.4
89.02461	2.3
90.16997	0.5
96.96022	1.3
101.02433	2.4
105.42994	0.5
107.05022	0.8
109.02981	0.6
111.00937	0.9
113.02448	1.1
116.92868	1.2
117.03432	1.4
119.03510	0.7
121.02904	0.7
132.02155	1.0
133.02960	23.3
134.03806	2.7
135.04527	48.3
136.04880	1.2
136.07570	0.5
149.06114	0.8
151.04010	2.1
155.05629	0.6
161.02443	100.0
162.02808	3.8
175.04033	0.7
177.05545	1.4
179.03497	36.0
180.03825	0.7
189.05563	1.5
191.05554	0.7
221.04594	1.8
249.08080	0.6
251.05612	1.0
281.06702	1.0
323.07706	2.1
378.77939	0.6
457.13547	10.9
473.94266	0.7
475.14554	49.1
476.15039	2.8
515.14331	1.1
575.15692	0.7
577.28888	2.1
637.17657	47.2
638.18036	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	637.1771
Annotation	Oxoverbascoside
Peak:m/z	Relative Intensity
50.21543	0.4
56.76812	0.5
59.01379	6.1
69.40936	0.7
69.41322	1.5
71.01379	4.6
79.63329	0.6
80.51410	0.4
85.02943	1.5
89.02442	3.2
92.75409	0.5
95.01419	0.6
98.22583	1.0
101.02430	2.6
102.23391	0.5
107.05040	1.8
109.02962	1.6
111.00876	1.1
113.02428	1.0
117.03465	1.6
119.03520	1.0
132.02147	1.1
133.02953	28.5
133.05072	1.7
134.03757	6.3
135.04523	99.0
136.04860	2.0
137.02478	0.9
148.05247	0.6
149.06064	0.8
161.02438	100.0
161.06000	2.4
162.02763	3.3
172.05211	0.7
173.06102	2.4
175.05975	0.5
179.03490	61.0
179.23138	0.5
180.03822	2.1
191.07126	0.8
203.07097	1.1
217.05031	1.8
224.39359	0.5
235.06136	1.6
309.02048	0.5
409.40674	0.6
457.13531	13.6
458.13657	0.7
475.14572	14.5
476.14334	0.8
637.17694	89.4
638.18158	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	637.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17722	0.5
59.01385	2.7
67.59362	0.5
71.01375	13.4
75.00871	2.4
78.98566	0.6
85.02961	0.6
87.00861	0.8
89.02451	1.6
93.03385	0.6
96.95993	2.6
97.02992	0.7
99.92587	1.6
101.02446	1.2
104.74863	0.5
109.02989	0.6
113.02463	0.6
115.00370	7.6
116.92861	19.4
117.01951	2.4
117.92887	1.2
119.05023	40.3
120.05337	0.8
121.02975	0.8
133.01436	11.3
135.04509	1.6
147.04559	1.1
150.03188	0.8
155.03502	0.6
159.37073	0.6
161.02473	2.4
163.04002	100.0
164.04356	3.3
164.07135	2.7
165.05553	2.1
165.07536	0.8
179.03470	1.2
181.01717	1.1
191.05641	1.3
197.04512	0.7
206.08200	4.3
207.08571	2.3
243.06685	0.8
279.05032	4.3
533.25989	0.5
555.17371	1.0
577.15540	1.5
593.15515	0.8
608.02130	0.6
637.18213	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.6
63.94267	0.4
71.01381	5.8
73.02941	1.4
83.01378	0.6
85.02932	1.2
87.00864	1.0
88.98791	1.0
89.02449	2.3
91.01892	3.1
93.03461	4.4
96.95991	0.7
97.02931	0.8
101.02451	3.2
105.03474	0.6
107.04997	0.5
109.02986	0.8
111.00878	0.9
113.02445	1.6
115.33168	0.5
116.92901	1.4
117.03468	1.5
119.01398	1.3
119.03493	1.1
121.02963	3.6
125.02425	2.7
131.03525	0.6
132.02170	1.8
133.02957	35.2
134.03798	3.5
135.04526	19.9
137.02434	7.3
145.82085	0.6
149.06056	2.3
151.04005	19.3
151.05231	0.9
159.04472	1.2
161.02443	100.0
162.02724	2.9
163.90016	0.5
173.04530	0.6
175.03958	2.3
177.01978	0.8
177.05550	4.3
178.02716	1.7
179.03497	19.0
179.05255	0.6
179.05620	0.8
180.03914	0.5
189.12869	0.8
191.05704	1.2
193.05086	0.7
194.98486	0.6
202.02788	0.6
203.03494	2.1
220.03761	0.7
221.04541	7.7
240.01907	0.5
251.05620	5.3
263.05652	0.9
281.06677	10.0
293.06699	1.3
323.07730	6.0
341.08765	5.0
374.18643	0.9
382.09073	0.9
383.09830	41.8
384.10080	2.0
399.57123	0.6
413.10928	1.7
425.10831	11.4
426.11234	1.1
457.20816	1.8
485.13007	50.6
486.13483	3.1
577.28271	0.9
605.15466	1.6
637.17767	8.7
637.27405	1.1
638.18604	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	637.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	23.5
61.98826	1.9
70.88152	1.6
71.01373	11.8
73.02962	1.9
82.95422	1.1
84.95113	2.8
85.00450	1.5
85.02959	4.0
87.00874	2.3
88.31920	0.9
88.98814	2.5
89.02444	12.7
91.01874	1.3
93.03446	2.9
95.01362	1.3
96.96000	2.8
101.02435	9.0
104.05042	2.5
106.06635	2.6
109.02998	1.3
111.00867	2.7
113.02411	4.8
116.92874	3.6
117.03462	1.3
119.03495	4.2
119.04981	1.1
121.02955	1.2
122.06123	1.5
132.02228	1.3
133.01967	0.7
133.02946	18.1
134.03767	2.6
134.06117	20.5
135.04526	19.8
137.02432	1.6
145.02943	2.2
148.04053	30.1
148.05168	1.1
149.06097	2.8
152.07159	1.8
160.04042	13.1
161.01096	2.3
161.02444	43.6
161.04536	1.9
162.02769	2.0
165.05605	1.1
167.03535	1.5
173.04514	4.4
174.05594	4.8
177.05585	5.6
179.03503	13.3
179.05553	1.5
189.05516	1.2
191.05569	6.8
203.03464	1.0
221.04553	2.8
250.05164	1.1
267.11371	11.7
281.16339	0.9
284.03152	1.2
295.10855	51.7
296.11081	3.4
314.12543	1.6
326.63187	2.2
407.64615	2.2
445.18771	1.3
447.17734	5.7
475.17209	100.0
476.17621	6.3
479.21011	1.0
547.27441	1.1
577.28790	3.2
637.20319	79.1
638.20587	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	637.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22586	0.2
50.94229	0.2
59.01373	0.8
59.03652	0.2
59.11047	0.2
63.02407	0.9
65.00340	0.6
65.96485	0.2
70.01279	0.7
83.01416	0.3
93.03471	0.3
103.01484	0.4
107.01395	2.0
109.06585	0.4
111.04517	0.5
113.32374	0.2
115.75494	0.2
117.03459	2.2
121.02952	1.9
129.77815	0.2
149.02432	0.9
149.97884	0.2
151.00407	1.0
157.26418	0.2
159.04506	0.8
161.02443	1.0
169.06619	0.4
171.04523	0.4
180.05847	0.3
181.06589	0.2
183.04527	0.8
195.04373	0.3
197.06004	0.3
201.05556	0.4
209.04550	1.5
211.03931	0.5
212.04837	0.3
224.04758	0.4
225.05579	0.9
227.03549	0.4
239.03506	1.2
240.04225	1.1
267.03003	0.5
268.03766	15.3
269.04538	100.0
270.04886	3.7
283.06219	0.3
289.18121	5.9
290.18216	0.2
298.01340	0.2
307.19156	1.0
311.05685	0.6
329.17206	1.8
352.63977	0.2
392.09097	0.2
404.89706	0.2
536.59326	0.3
637.22900	13.8
638.23041	1.2
645.85449	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51849	0.4
57.03461	0.7
59.01377	6.8
59.24429	0.4
60.19792	0.4
60.88699	0.4
60.99305	2.2
61.98824	1.5
67.01247	0.4
67.01884	0.5
68.99823	0.6
69.03453	0.7
69.31909	1.5
69.32312	0.9
71.01385	3.9
72.99319	0.5
73.02949	1.2
82.95422	0.9
83.05003	0.4
85.02955	11.6
87.00878	3.1
88.11752	0.4
88.98808	9.3
89.02454	2.1
93.03459	5.0
95.01395	0.5
96.96008	1.2
97.02934	0.5
99.00924	0.6
99.04528	0.4
101.02448	2.9
102.69233	0.4
109.02957	1.4
111.00888	1.1
111.04508	0.9
113.02468	1.2
116.92862	1.1
119.03516	0.8
119.05054	0.6
125.02449	0.5
127.04009	3.1
133.02962	1.8
134.03810	2.1
135.03479	0.7
135.04521	12.6
137.02496	0.9
155.03636	0.4
156.71388	0.4
158.03644	0.6
161.02458	4.3
165.05595	0.6
171.02930	0.6
172.05321	1.7
173.04587	2.8
173.08258	0.9
179.02017	0.9
179.03517	13.2
179.05644	0.7
187.03998	0.6
191.05621	100.0
192.05998	2.3
193.04984	0.5
194.09558	0.5
198.06804	0.4
199.03923	2.2
200.04736	1.0
201.05573	0.7
214.06425	0.4
227.03513	6.0
228.04286	4.1
269.04733	0.8
283.13416	12.6
284.13696	0.5
285.04117	0.6
289.07211	2.2
301.14456	4.5
309.15073	2.2
311.09833	0.6
311.13049	2.9
325.14423	0.9
327.12460	0.7
327.16080	1.5
329.13904	2.0
347.17126	0.7
353.13940	7.6
371.15076	4.1
375.18097	0.9
401.16153	1.3
403.17694	0.7
419.21078	0.6
423.76471	0.5
445.18680	44.9
446.18979	3.5
463.19598	2.1
463.25577	1.7
577.28473	0.8
637.23645	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	637.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86013	4.8
59.01377	58.7
61.98838	18.3
71.01387	36.7
71.27189	6.1
78.95890	5.3
79.95747	5.0
80.96525	21.6
87.00887	8.0
87.69164	4.5
89.02451	50.3
94.98098	5.5
95.74563	4.9
96.82583	4.8
101.02445	16.6
113.02467	19.3
119.03493	17.2
125.02480	5.8
143.03548	8.0
143.73816	4.3
150.59636	5.1
152.99751	6.4
161.04562	10.3
164.83588	11.4
171.10254	8.2
179.05659	26.6
209.11780	17.0
215.03294	8.5
217.08504	7.6
223.33585	4.4
233.11591	19.0
277.21722	100.0
285.18494	9.7
289.18024	16.1
307.19104	30.7
314.72208	5.5
317.17444	8.5
323.09781	41.2
329.17422	30.2
329.23270	27.9
341.10892	76.7
408.33655	7.2
455.03421	5.4
577.26892	39.0
579.27179	13.6
601.32629	41.8
609.97266	5.2
637.29822	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
57.03433	1.3
58.00594	1.4
59.01378	100.0
60.99304	1.1
61.98832	3.8
65.09414	1.1
69.03482	1.5
71.01381	53.2
72.99311	2.3
73.02943	3.7
75.00863	1.4
83.01377	2.8
85.02953	10.8
87.00875	4.2
87.04504	1.2
88.98830	6.0
89.02443	59.3
90.02789	1.2
93.03470	2.3
95.01382	2.3
96.96014	17.8
97.02933	1.1
97.95930	1.1
98.95591	8.3
98.96175	1.0
98.96443	1.1
99.00898	1.5
99.92587	1.9
100.77481	0.9
100.93422	1.2
101.02446	29.1
103.01480	2.6
111.00804	1.0
113.02445	17.2
115.19273	1.0
115.92065	1.1
116.92885	2.8
119.02649	1.5
119.03506	24.9
123.04552	1.1
125.02457	1.5
131.03485	4.5
133.01428	0.9
133.02968	6.3
134.03703	2.3
135.04538	8.8
135.19089	1.1
137.02431	1.6
143.03514	5.9
145.02937	1.6
149.04576	2.8
150.64844	0.9
161.02444	14.8
161.04536	6.8
165.05588	2.0
173.04575	2.3
177.01903	2.0
177.05586	1.3
178.02751	1.1
179.03535	6.3
179.05612	21.7
180.03922	1.0
191.05591	8.1
193.05046	5.5
204.96193	1.2
210.78758	1.1
212.14632	1.3
221.04582	1.7
238.84482	1.1
251.05859	1.1
255.02975	1.0
256.22717	1.1
269.04483	2.1
274.89343	1.0
404.99036	1.0
577.28613	62.0
578.28839	5.4
601.06262	1.4
637.30981	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	637.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38839	2.1
53.83336	1.9
54.74119	2.4
57.03439	3.8
59.01388	3.5
60.30259	1.9
61.98831	28.6
64.89279	2.3
68.81863	2.2
69.03456	2.8
80.02691	6.1
80.44485	2.3
81.03448	7.1
83.01389	12.8
83.05038	3.7
95.05044	4.2
95.65590	2.4
97.02930	3.7
97.06596	11.1
98.21867	5.7
109.02933	4.0
109.06567	2.8
119.94704	24.1
121.03017	2.1
122.90375	2.2
123.04520	9.8
123.08173	4.0
125.06123	2.4
125.09736	19.9
135.08203	3.9
135.50888	2.2
136.05342	2.7
137.09732	10.9
141.12888	2.6
149.06062	3.4
149.28473	2.3
161.09740	2.4
163.07568	2.7
163.11281	20.9
165.12852	4.7
175.07381	6.3
181.12300	6.4
185.11868	13.1
191.10767	5.5
191.14421	15.9
203.10550	3.6
207.10120	12.4
209.11833	96.7
210.12181	4.5
221.11581	2.6
225.11311	10.5
231.10017	90.4
233.11629	6.0
245.19106	32.2
261.18646	2.4
263.19995	2.5
271.16864	3.1
277.02698	2.7
285.15646	2.1
285.18365	14.7
289.18106	100.0
290.18481	6.6
291.19598	3.3
307.19141	95.6
308.19382	5.4
317.17212	9.5
319.29242	2.3
329.17297	37.1
330.17947	2.4
404.36026	2.7
454.03436	2.3
539.30017	7.3
637.37225	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
74.09161	0.3
78.95914	0.6
83.93085	0.5
84.93877	1.2
96.00449	0.3
97.93177	0.6
99.92587	100.0
100.92604	3.3
100.93368	5.1
101.94144	0.4
110.95430	0.6
114.07607	0.4
115.92079	9.4
115.92886	0.5
116.92855	4.2
141.93658	0.5
155.95265	0.4
160.68663	0.3
161.00906	0.3
164.65094	0.4
180.83446	0.3
183.18111	0.3
190.34254	0.3
205.16849	0.4
275.20206	1.3
277.21738	7.5
282.26550	0.4
285.86597	0.4
290.45020	0.4
292.07446	0.4
342.12878	4.0
343.43469	0.4
357.11533	0.6
360.13986	31.9
361.14429	5.8
374.11642	0.5
375.12592	0.9
378.14993	0.6
393.13754	5.6
394.13968	0.7
638.36432	50.2
639.36688	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	639.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	81.3
61.98834	19.2
69.25488	10.1
69.30116	1.6
71.01376	55.5
72.99316	3.8
73.02943	20.8
75.00870	3.1
82.95370	1.8
83.01370	2.9
85.02944	12.7
87.00861	9.2
88.98803	6.9
89.02441	99.4
93.03445	5.2
96.96014	6.1
97.02943	2.5
99.00882	31.8
99.92503	2.2
101.02434	50.3
102.02746	2.0
109.02953	2.7
111.00868	12.5
113.02417	13.8
116.92852	7.4
119.03495	8.6
119.05036	2.7
121.02953	3.2
122.03761	3.8
125.02449	5.2
131.03470	20.3
133.02995	4.3
134.03754	34.6
134.51450	1.9
135.04541	19.5
137.02435	3.5
143.03525	4.9
146.03735	29.1
147.04486	8.5
149.04555	100.0
149.06035	12.7
161.02489	12.2
161.04567	7.5
161.06078	12.8
161.72215	1.7
162.03177	3.1
163.04008	2.9
164.04796	16.0
165.05591	3.9
167.07109	28.5
173.00903	2.9
173.04561	4.9
174.64893	1.9
177.05627	2.8
179.03531	6.8
179.07111	20.2
191.02045	3.0
191.03865	3.0
191.05592	28.5
193.05022	9.3
195.06497	1.9
208.17140	1.8
221.06653	13.7
251.07713	17.7
269.04553	6.7
281.06430	3.4
281.99268	2.2
285.04123	5.7
293.08737	5.0
311.09943	11.2
315.08881	2.6
329.12421	26.9
460.15704	16.2
461.16614	11.3
603.33203	2.0
609.21869	13.0
621.21869	23.6
621.32446	3.1
621.35114	3.0
639.22827	47.7
639.32745	11.6
640.23297	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	639.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89224	0.3
51.03027	0.3
55.01867	1.4
57.03436	0.8
58.00568	0.6
59.01377	28.5
69.03436	0.9
69.37107	0.9
70.84122	0.3
71.01380	22.0
72.99292	0.7
73.02944	10.4
75.00867	0.4
81.03469	0.5
83.01394	1.8
85.02946	6.1
87.00863	1.1
88.98804	0.9
89.02443	27.1
93.03451	0.7
95.01395	0.8
96.28076	0.3
96.95996	0.3
97.02937	1.2
98.22596	0.8
99.00880	12.9
100.01284	0.4
101.02443	17.2
108.02188	0.3
109.02959	2.6
111.00903	0.3
113.02442	7.3
119.03514	3.1
121.10229	0.9
125.02428	2.0
131.03506	3.9
133.01407	0.4
133.02972	1.1
134.03745	1.9
135.04463	0.9
136.45798	0.4
143.03442	0.7
147.04433	0.4
148.31749	0.3
149.03464	0.5
149.04562	6.1
153.01932	4.1
157.14787	0.3
159.02971	0.7
161.02467	1.9
161.04541	3.4
164.07228	0.4
173.04565	1.0
179.03487	0.8
179.05589	1.3
191.05608	4.8
193.05061	2.3
206.08249	1.0
219.10313	0.6
243.15880	0.4
251.07642	0.4
277.44717	0.4
281.06485	0.6
285.56781	0.3
301.16553	1.1
315.07352	0.6
323.07861	1.0
345.08914	0.3
345.15536	3.6
431.09854	0.5
433.20685	0.6
445.82690	0.3
459.18716	1.4
465.19705	0.4
477.19760	100.0
478.20087	5.9
521.25879	0.4
639.25934	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07965	0.3
59.01383	4.5
60.99308	13.7
61.98823	1.2
69.03446	0.6
69.12606	1.9
71.01388	3.9
72.99303	0.4
73.02933	0.6
75.00877	0.3
82.21952	0.3
82.95402	0.3
83.01389	0.5
85.02962	1.6
87.00875	1.1
88.00419	0.3
88.98808	100.0
89.02444	9.6
89.99128	0.6
90.35538	0.3
93.03470	0.5
96.96005	0.5
98.21777	0.5
99.00851	0.3
101.02444	3.0
109.02924	0.6
113.02438	1.2
116.92859	0.5
117.81032	0.3
119.03483	1.0
123.61854	0.3
125.02470	0.4
132.02161	0.4
133.02962	3.4
135.04515	2.1
137.02502	0.4
145.02997	0.4
149.02469	0.3
151.00371	0.4
161.02440	3.2
161.04536	0.7
161.57739	0.3
163.00311	0.4
163.04010	0.4
173.04547	0.4
177.01912	0.5
177.05562	0.4
179.03513	1.0
179.05582	0.6
189.05559	0.4
190.52574	0.3
191.05556	1.5
225.05693	0.4
253.04945	0.5
255.06914	0.3
269.04468	0.5
284.03226	0.7
285.04019	1.8
286.04480	0.3
297.04013	4.3
298.04688	0.9
309.03973	0.7
335.05627	0.3
341.08694	0.3
361.06934	0.5
361.11218	0.4
373.07062	0.5
375.08762	0.4
387.08826	0.4
389.10593	0.6
403.08197	0.9
405.09811	1.5
415.08215	0.5
417.25064	1.0
431.07385	0.4
432.08801	0.4
433.09216	5.3
434.09805	0.5
461.95471	0.3
543.02118	0.4
549.29279	0.8
567.14880	1.1
579.30280	5.8
580.30359	0.5
595.14667	6.7
596.15155	1.4
621.12335	0.5
621.23749	0.4
639.24573	0.6
639.35822	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01640	0.4
55.01874	2.7
57.03455	3.0
59.01380	26.5
61.98831	3.5
64.58052	0.3
67.01892	0.5
68.99818	0.7
69.03471	1.8
70.98597	0.3
71.01382	34.9
71.44916	0.3
72.99308	1.3
73.02944	14.7
75.00874	1.1
76.59470	0.3
76.78705	0.3
78.95892	0.4
81.03459	0.5
83.01390	5.2
83.05045	0.4
85.02951	15.4
86.00092	0.7
87.00862	2.6
89.02450	12.0
93.03455	1.2
95.01395	2.7
97.02940	2.0
98.72920	0.3
99.00877	7.0
99.04482	0.7
101.02446	23.5
109.02953	0.4
111.00881	3.0
113.02450	11.6
115.04002	1.0
116.92844	0.4
117.03353	0.3
119.03513	1.6
121.03009	0.3
122.02504	0.4
125.02464	3.0
129.01920	0.7
130.08675	0.4
131.03526	1.7
132.02185	0.4
133.02939	1.8
134.03772	0.8
135.04533	2.5
137.02435	0.8
138.73560	0.4
141.01965	0.4
143.03502	1.3
145.02956	0.4
149.04533	1.7
149.06125	0.4
151.00375	0.6
155.03496	0.5
159.03000	1.4
160.01628	0.9
161.02464	4.0
161.04530	3.3
162.02911	0.4
172.05339	0.4
173.04520	0.9
174.03210	0.4
175.03844	0.4
178.02728	0.5
179.03487	1.9
179.05608	0.3
187.03954	0.4
191.05618	4.7
193.05083	0.8
199.03912	0.4
208.54704	0.4
213.18642	0.5
216.10097	0.3
233.06664	0.9
269.04510	2.5
281.06409	0.4
283.02426	0.5
284.03256	0.6
285.04044	2.4
292.05963	0.3
293.08749	0.6
299.16348	0.7
299.25800	0.8
325.14417	0.5
343.11813	0.5
343.15448	1.2
345.13174	0.7
345.29941	3.2
363.30075	0.4
371.14987	1.7
381.67017	0.4
421.11414	0.3
428.13412	0.5
447.08969	0.7
459.27689	0.6
507.35403	15.4
508.35858	1.2
552.75195	0.4
577.13507	0.5
622.69727	0.4
639.39612	100.0
640.39905	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	639.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.2
57.03450	2.2
58.00583	0.5
59.01381	28.5
61.98824	3.2
67.01894	0.8
68.99828	2.1
69.03463	2.2
71.01384	33.5
72.99305	1.1
73.02951	14.1
75.00872	1.7
75.15812	0.4
81.03468	0.7
82.95405	0.7
83.01389	5.8
85.02952	16.9
86.00087	0.6
87.00880	2.5
88.98797	1.3
89.02446	13.2
91.01884	0.4
93.03455	1.0
94.65791	0.3
95.01393	2.8
97.02932	2.5
99.00875	5.9
99.04512	0.4
99.92588	0.6
101.02447	23.6
103.01457	0.5
107.01373	0.5
107.05021	1.1
111.00880	2.8
113.02452	10.7
115.04011	0.7
116.92857	8.3
117.92879	0.7
119.03522	2.2
121.02953	0.8
121.06582	0.7
123.04520	0.6
125.02467	2.8
127.04007	1.6
129.01926	0.8
131.03505	2.1
133.02965	3.6
134.03662	0.8
135.04527	5.4
137.02486	0.7
140.97791	0.3
143.03513	1.1
149.02435	0.6
149.04536	1.7
151.00372	0.8
153.05589	0.9
159.02968	1.3
161.02454	8.4
161.04517	3.9
162.02873	0.5
173.04578	1.0
179.03517	4.8
187.03949	0.5
191.05609	2.4
213.18570	0.4
221.04547	0.9
227.09044	0.7
233.06552	0.8
253.05246	0.4
269.04584	1.4
283.13327	0.8
284.03333	0.4
285.04056	3.8
286.04462	0.8
293.08893	0.8
299.25958	1.1
301.07181	1.7
305.60162	0.5
315.08777	0.6
323.07776	0.8
329.13950	1.0
345.30060	3.0
371.15027	0.9
433.09210	1.0
450.12207	0.5
477.14200	3.3
478.14795	0.5
496.08972	0.4
507.35416	13.6
508.35986	0.8
537.19696	0.6
569.18683	5.5
570.19049	0.9
579.30194	0.7
595.14526	1.2
621.25568	1.1
639.39606	100.0
640.39948	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	639.4112
Annotation	Mosesin 4
Peak:m/z	Relative Intensity
50.18852	1.0
57.03453	1.4
59.01384	9.3
61.98822	3.4
69.41752	2.6
69.42155	2.3
71.01388	8.0
73.02936	2.1
83.01377	1.9
85.02951	3.8
89.02431	2.7
99.00909	1.8
101.02435	5.1
102.73180	1.0
113.02441	2.5
119.03452	1.2
135.69144	0.9
142.64458	0.9
156.57248	1.0
163.07657	5.0
314.61835	1.2
356.34125	1.0
459.34796	2.3
477.35641	4.0
621.40271	4.3
639.41150	100.0
640.41565	6.4
655.10815	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
61.98827	74.1
63.02407	0.8
65.00327	0.5
68.99789	0.2
69.37179	0.3
69.37579	0.8
71.01382	0.9
74.88996	0.2
85.02957	0.3
89.02441	0.5
93.03497	0.5
98.21929	0.3
101.02454	0.7
107.01421	1.0
113.02425	0.4
115.06873	0.2
116.92850	0.3
117.03458	5.8
118.71534	0.2
119.03511	0.3
119.05008	1.7
133.02956	0.4
135.04512	0.5
145.02946	12.9
146.46814	0.2
149.02437	0.8
151.00372	0.8
156.74937	0.2
159.04520	1.0
161.02470	0.9
163.04037	1.0
173.04532	0.2
181.06599	0.3
183.04410	0.5
191.05643	0.6
197.06070	0.6
201.05534	0.5
205.41031	0.2
224.04878	0.3
225.05606	0.7
227.03531	0.6
232.16341	0.2
251.45599	0.2
268.03745	2.2
269.04529	100.0
270.04874	3.6
285.03918	0.6
307.08221	0.7
311.05676	0.3
341.23190	0.2
389.11224	0.2
426.46652	0.2
431.09622	0.6
566.31238	0.5
577.13464	63.2
578.13782	4.1
639.23248	0.3
639.38611	1.0
640.39001	0.4
652.67712	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66011	0.6
59.01374	6.5
61.98805	0.7
68.99820	3.0
69.03457	1.7
69.46793	2.8
70.27069	0.6
71.01373	2.7
75.00886	0.6
76.34727	0.7
77.56221	0.6
82.92242	0.6
89.02432	2.2
93.03446	0.7
94.03010	0.9
94.07880	0.7
98.22647	1.2
99.04519	1.2
101.02460	1.5
109.01676	0.7
113.02443	1.6
116.07164	9.4
122.02491	2.3
133.02972	1.5
135.04535	0.8
142.05099	12.2
142.06642	1.4
145.49278	0.6
161.02451	1.2
166.06619	1.0
167.06184	4.3
179.03473	0.9
181.07666	2.4
188.03517	0.8
188.94249	0.6
191.05615	1.6
193.07745	1.6
195.09264	1.3
209.07230	4.2
209.08861	0.7
217.07719	0.8
219.09270	3.1
220.06287	1.1
221.07182	1.3
221.10855	1.6
223.08815	1.1
233.07320	1.1
235.08743	6.9
237.06750	4.3
237.10301	14.0
245.78160	0.7
247.08760	24.9
248.05922	1.5
248.09003	0.9
249.06520	1.1
250.07292	1.1
251.08192	1.7
252.08112	1.1
261.06589	1.9
263.08215	11.7
265.09799	47.2
266.10016	1.1
269.04553	2.8
276.09061	0.7
284.03308	2.9
285.04010	5.9
286.04401	1.6
291.07727	22.3
292.08090	1.1
293.08972	1.1
301.07043	0.9
317.12958	2.3
336.17261	1.1
346.15637	3.9
361.12082	1.6
364.16638	1.7
380.16272	4.4
390.14545	5.0
391.14905	0.9
408.15591	36.6
409.15775	1.5
450.16919	3.0
460.18771	2.9
478.19479	1.4
555.09680	0.8
640.25085	100.0
641.25397	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	641.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37796	0.4
59.01383	0.6
61.98828	1.5
63.02398	1.1
63.68398	0.3
65.00331	1.3
70.96085	0.6
72.61411	0.3
79.95723	0.9
80.96525	0.5
83.01399	1.2
96.95998	0.5
104.41397	0.4
105.03457	0.6
107.01376	2.7
109.02934	0.7
117.78103	0.4
121.02959	0.7
125.02471	0.5
133.02937	4.3
134.03738	0.6
135.04538	1.1
135.55490	0.4
136.36574	0.4
148.01642	0.4
149.02409	1.8
151.00378	6.3
167.03426	1.2
171.04553	0.6
175.03993	1.9
198.03317	0.4
199.03973	1.9
200.04852	0.6
211.04056	1.0
213.05453	0.4
215.07207	0.5
217.05045	1.1
227.03554	1.1
239.03526	0.5
241.04874	0.7
255.02962	0.9
256.03687	2.6
257.04175	0.5
271.06146	1.1
283.02435	1.0
284.03250	39.1
285.04028	100.0
286.04413	4.8
287.05612	1.4
297.03821	0.6
309.20572	0.6
327.04947	0.9
386.56979	0.4
471.15433	0.7
471.22470	0.4
641.22363	70.4
642.22650	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	641.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.5
61.98833	2.6
63.02394	0.9
65.00311	0.8
68.99822	0.2
69.19771	0.6
71.01392	0.5
73.02960	0.2
83.01392	0.4
85.02971	0.1
88.98841	0.2
89.02476	0.1
93.03461	0.4
94.19386	0.1
95.01376	0.2
95.05540	0.1
96.96015	0.4
98.22614	0.2
101.02446	0.4
105.03454	0.2
107.01391	1.7
117.03465	2.4
121.02946	0.2
125.02385	0.2
133.02969	0.6
135.04533	0.7
148.01689	0.1
149.02455	1.0
149.99586	0.1
151.00365	1.8
155.03543	0.3
155.04817	0.1
157.06638	0.2
159.04538	0.9
161.02448	1.1
167.03540	0.1
169.06573	0.4
171.04495	0.1
172.05301	0.2
173.04588	0.2
173.06067	0.2
175.14345	0.1
179.03514	0.2
180.05855	0.3
181.06560	0.4
183.04546	0.4
191.05566	0.3
195.04514	0.2
196.05254	0.4
197.06113	0.4
199.03935	0.2
200.04767	0.4
201.05594	0.5
209.11855	0.2
210.51605	0.2
211.04016	0.5
212.04800	0.3
224.04794	0.2
225.05569	0.9
227.03490	0.5
239.03484	0.9
240.04312	1.1
267.02969	0.6
268.03763	16.5
269.04526	100.0
270.04874	4.1
283.06033	0.2
284.03226	0.8
285.04034	1.9
286.04300	0.2
287.05579	0.5
311.05652	0.6
371.15015	0.2
413.08627	0.3
479.33585	0.5
500.09122	0.2
577.13641	0.2
578.14105	0.2
592.11890	0.3
593.13055	0.4
608.11804	0.2
641.22321	12.9
642.22626	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
56.84089	0.5
57.03436	1.5
59.01377	14.4
60.99300	2.5
61.98840	4.4
65.00330	0.7
67.01868	0.4
68.99794	0.5
69.03455	1.2
71.01375	14.5
72.99313	3.8
73.02950	5.1
75.00868	77.5
77.91471	0.5
80.30287	0.5
82.42704	0.5
83.01400	2.8
85.02952	7.4
87.00877	4.6
88.98799	13.4
89.02422	4.2
90.99213	0.6
93.03467	0.7
93.83667	0.5
95.01387	1.0
96.96004	1.9
97.02973	0.9
99.00892	4.1
101.02435	10.4
105.03476	0.4
107.01355	0.6
107.04950	0.5
108.02142	0.6
109.02951	1.6
111.00867	1.5
113.02449	5.4
115.00413	0.5
116.92854	2.2
119.03484	0.7
121.02946	1.2
123.00997	0.5
123.04459	0.7
125.02443	1.7
133.01437	1.0
133.02969	6.2
134.03766	1.0
135.04524	8.3
136.01645	2.1
137.02443	1.8
149.02405	1.6
150.03285	0.8
151.00400	3.3
151.03992	1.5
152.01016	0.7
159.04527	0.6
161.02443	10.1
161.04549	1.1
162.02849	0.8
163.04012	0.8
165.05544	1.2
173.04558	1.4
174.03217	0.5
175.04015	1.3
177.02034	1.0
177.05516	1.2
179.03488	3.7
181.84424	0.5
189.05528	1.9
191.05545	2.7
193.05002	0.5
195.06535	0.8
199.04044	0.6
217.05116	0.6
221.04536	0.9
239.45219	0.5
243.02844	0.6
255.03096	1.0
269.04477	1.2
281.06851	0.6
283.02399	0.6
284.03256	11.0
285.04025	40.5
286.04416	2.2
287.05487	0.7
299.05710	2.5
315.25784	0.5
323.07831	1.4
341.08865	0.8
381.29901	0.9
435.11084	2.8
443.15112	0.6
447.09195	2.9
489.10391	13.2
490.10626	1.1
551.17523	0.7
559.35339	0.8
581.31702	2.1
587.34222	3.3
597.14154	0.7
605.18433	0.8
605.35535	8.0
606.35529	0.9
609.12494	0.6
616.95190	0.6
623.14148	4.9
623.36261	1.4
624.14740	0.9
641.16504	3.3
641.37524	100.0
642.15228	0.6
642.26581	0.8
642.37695	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	641.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69326	1.6
59.01369	3.1
61.98818	3.4
64.88832	1.8
69.03456	6.1
71.01382	2.3
81.26436	2.1
81.67535	2.1
82.69733	2.3
83.05040	2.8
85.02946	2.4
97.02949	57.1
97.06576	3.4
111.08131	3.7
119.08663	2.6
133.45454	1.7
137.09727	18.7
163.11285	2.4
165.12851	3.3
171.10269	21.1
193.08438	13.1
196.49841	2.2
197.11859	2.2
207.10043	16.4
211.13405	3.9
219.09958	3.5
221.11790	2.9
233.11549	7.5
247.20793	3.0
248.10217	2.4
261.11002	2.8
273.18515	2.2
287.16309	6.3
291.19635	20.5
307.49429	2.0
309.20694	100.0
310.21024	3.1
313.14407	3.6
313.17786	25.0
314.18164	2.8
331.15140	12.8
331.18851	58.6
336.97644	2.3
366.26511	2.1
375.17770	2.4
641.40356	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54538	1.4
53.27878	1.7
57.03428	3.7
59.01365	2.3
61.69117	1.6
61.98820	4.0
69.03456	3.5
71.43965	1.8
93.03481	2.8
106.01894	1.8
111.08170	3.5
119.08687	10.2
121.10208	2.3
125.09718	4.6
137.09711	21.2
139.11273	4.2
154.57091	1.8
155.10764	3.0
156.14120	1.7
158.59344	2.0
167.10722	3.9
171.10263	55.4
179.10538	4.7
183.10269	3.7
185.11816	10.4
193.08455	10.8
197.11839	6.1
201.11398	2.9
207.10025	63.3
208.10268	1.9
211.13176	2.3
213.11299	3.8
219.10025	7.1
245.19089	4.9
273.18570	5.7
291.19620	20.1
295.16779	2.2
309.20712	100.0
313.17844	75.8
314.18188	3.6
331.18655	3.0
490.85660	1.8
627.18414	2.0
641.40430	30.8
642.41180	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63691	0.6
59.01365	1.0
59.45111	0.6
63.60226	0.6
64.96880	0.5
69.03464	0.8
69.43892	2.6
69.80223	0.6
74.27352	0.6
83.05026	1.1
95.05006	0.6
97.06551	0.7
98.21859	1.0
109.06580	1.3
111.08155	16.1
119.08659	0.7
124.37034	0.6
127.07660	0.8
137.09770	0.5
141.09222	0.6
147.11803	5.1
148.94147	0.6
151.11298	1.0
153.09200	0.8
153.12885	1.8
163.11374	0.9
165.12898	4.5
167.10831	0.9
169.12387	6.5
181.12360	1.0
187.11066	1.1
193.12276	1.0
197.11829	72.5
198.12160	1.9
199.13416	2.1
205.12128	0.9
209.11664	0.9
209.15474	1.0
211.13373	5.4
212.50162	0.6
215.10498	8.5
217.08443	0.8
219.10037	5.7
227.12932	1.2
228.60498	0.7
231.09955	0.8
233.11586	82.6
234.11909	3.4
263.20206	2.7
265.18106	1.3
273.18671	0.7
291.19684	14.8
309.20709	100.0
310.20996	5.3
313.17862	2.7
331.18915	11.8
386.14639	0.7
431.22968	0.8
445.24463	2.3
543.31555	0.7
641.40265	18.1
642.40594	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	641.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57050	0.7
59.01372	1.0
60.58576	0.8
61.98814	0.8
69.03459	1.2
69.13437	5.0
84.35547	0.8
90.08218	0.8
97.06570	0.8
111.08158	19.8
111.08880	1.5
116.82229	0.7
125.34835	0.8
127.07648	1.4
139.09932	0.8
140.97784	0.8
141.09232	0.8
147.11816	1.4
151.11295	3.8
153.12836	1.1
165.12848	2.1
167.10771	1.0
169.12314	5.2
171.10326	1.2
176.70952	0.7
179.25212	1.0
181.12355	1.7
183.13844	1.4
191.10544	0.9
197.11824	60.4
198.12206	1.0
199.13358	1.6
211.13342	5.6
215.10513	2.4
219.10019	41.0
227.12953	1.3
233.11598	17.4
263.20190	3.5
265.18106	1.3
287.16364	1.2
291.19687	11.6
309.20706	100.0
310.21112	2.6
313.17740	1.3
331.18918	29.8
375.17688	1.2
431.23090	0.9
445.24545	0.9
543.32068	1.3
638.41791	1.0
641.40192	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	641.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25550	1.9
57.03452	2.7
59.01363	4.9
61.98827	4.3
69.03474	3.3
69.97809	6.3
71.01389	4.2
71.05012	2.0
75.00870	2.7
77.03272	2.3
78.95906	3.6
89.70000	1.7
93.03461	4.7
95.05045	3.1
96.42448	2.2
99.04523	2.2
111.77230	2.1
113.06129	2.1
113.09743	2.0
119.08649	4.0
121.10219	8.4
125.09682	4.4
137.09715	7.1
147.08165	2.9
149.09691	4.5
159.10214	8.1
165.09097	2.1
171.10281	4.3
179.10463	2.4
185.11813	6.7
193.08507	22.2
197.11794	2.7
207.10025	16.0
217.12000	2.5
219.09967	5.9
223.13254	2.6
227.18158	2.5
229.19643	6.0
245.19125	8.2
255.13760	3.6
255.24579	2.0
259.13239	2.7
269.15082	1.9
271.13080	2.5
273.14700	5.0
273.18979	2.1
275.19943	2.5
278.11319	2.4
280.23508	2.1
284.13913	3.0
285.14651	4.0
291.19681	21.1
295.16748	7.3
297.18356	73.1
298.18597	3.4
299.04413	2.3
311.16330	4.8
313.17859	100.0
314.18085	4.4
329.17300	22.5
330.17966	2.3
331.18896	12.1
346.17651	2.5
442.30780	2.8
457.29428	2.7
502.27295	2.0
641.40356	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	642.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56898	0.5
59.01386	3.3
61.98832	3.4
63.02420	0.5
64.75745	0.5
66.23241	0.4
69.03432	0.5
69.63149	0.8
69.63481	0.8
71.01383	1.6
73.09537	0.5
75.00872	0.7
85.02942	0.7
89.02423	0.8
93.03487	0.6
96.96057	0.5
99.00888	0.6
101.02446	1.5
107.01403	1.3
109.02979	0.6
109.77723	0.5
113.02430	0.7
119.03510	0.6
121.02948	1.0
133.02946	3.2
134.03784	0.5
135.04532	2.4
135.24286	0.5
149.02428	0.6
151.00403	2.9
161.02454	3.8
161.04514	0.5
175.04002	1.1
179.03468	1.1
191.05579	1.9
195.06454	0.5
199.04048	0.7
207.43866	0.5
211.27867	0.4
217.04991	0.6
217.56371	0.4
228.06432	1.1
241.05157	0.7
243.02904	0.7
256.03760	0.7
284.03253	11.3
285.04037	100.0
286.04318	3.8
389.16327	1.1
390.16562	0.6
501.14532	0.7
562.57037	0.5
579.13531	64.7
580.13824	3.8
595.17865	1.2
641.25671	0.7
642.27234	0.9
643.20789	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12592	0.1
55.01854	0.1
56.66599	0.2
59.01382	1.2
61.98828	100.0
66.55710	0.2
67.01900	0.2
69.03472	0.2
71.01387	0.7
73.02952	0.2
73.24088	0.2
75.00879	0.3
78.26447	0.2
81.36874	0.2
83.01382	0.2
85.02957	0.2
87.00887	0.2
87.45746	0.1
88.98795	0.2
89.02444	0.4
93.03490	0.2
101.02460	0.6
109.02967	0.4
111.00909	0.2
113.02432	0.3
116.92885	0.2
118.95073	0.2
119.03612	0.2
121.03007	0.2
133.02959	0.8
134.03740	0.3
135.04526	1.4
136.04889	0.2
137.02451	0.2
139.04001	0.2
149.02512	0.2
150.03223	0.3
151.00383	0.2
160.01692	0.2
161.02464	2.0
162.02844	0.2
165.05533	0.2
171.98012	0.2
173.04556	0.2
177.02026	0.2
178.02689	0.2
179.03545	0.6
185.53841	0.2
191.05672	0.5
221.04581	0.3
260.84695	0.2
283.02533	0.3
284.03259	0.2
285.04077	0.3
299.05640	0.3
323.07733	0.6
338.03955	0.3
360.99728	0.2
370.06589	0.4
480.10272	0.4
480.38690	0.2
507.11600	0.2
582.30884	0.8
612.17969	0.3
642.24194	0.3
642.36176	0.3
643.22797	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23945	0.4
53.64458	0.5
59.01383	3.3
61.98819	0.5
69.15572	2.8
71.01386	2.9
73.02942	0.8
75.00876	0.9
75.59499	0.5
83.01423	0.5
85.02972	1.5
87.00883	0.7
89.02407	1.0
93.03477	1.7
96.96037	1.0
98.21854	0.9
99.00906	0.6
101.02450	1.8
105.03450	0.8
109.02940	1.1
111.00877	0.9
113.02444	1.0
117.03469	1.3
121.02948	1.1
122.02517	1.0
123.04501	1.3
125.02448	0.6
132.02184	1.4
133.02963	35.3
134.03790	4.5
134.69739	0.5
135.04532	31.1
136.01668	5.2
136.04895	0.6
137.02469	0.9
147.04546	0.7
148.05316	0.6
149.02361	0.5
149.06050	2.0
151.04015	5.9
159.04556	0.6
160.01660	0.8
161.02446	100.0
162.02805	3.0
165.05582	1.3
173.04553	1.1
173.05957	0.7
175.03979	2.6
177.01938	0.7
177.05563	4.1
179.03499	19.9
179.05098	1.0
180.03868	0.7
191.05595	3.9
193.05070	1.1
195.06622	2.6
203.03537	1.4
213.05539	2.7
220.03769	0.6
221.04544	3.6
223.03978	0.7
233.04523	0.5
241.05054	17.9
242.05699	2.6
256.07379	13.5
257.08176	3.3
263.05698	0.8
271.09753	13.5
272.10184	0.6
280.05856	0.6
285.03922	0.8
305.10300	3.7
319.11856	0.6
323.07703	31.3
324.08017	1.0
337.09241	0.8
419.15189	0.6
467.15836	0.7
599.16553	0.5
607.16736	2.5
643.20160	67.8
644.20416	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	643.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24189	4.8
59.01367	21.5
61.98824	18.3
68.79641	5.4
68.99814	6.2
70.17271	5.1
71.01363	14.1
85.02932	13.6
89.02452	7.4
93.03447	12.4
96.96014	10.3
99.00869	5.5
101.02460	13.1
110.89138	6.5
111.04476	5.3
121.02948	6.8
122.06077	4.9
131.83620	4.8
135.04456	5.2
148.05310	11.2
151.00392	7.1
151.29950	4.6
152.07262	5.9
155.03505	5.2
161.02489	7.0
163.07655	8.8
169.05339	5.0
169.28297	4.6
173.04561	7.0
173.86824	5.7
183.91490	4.7
191.05603	100.0
197.11896	13.6
209.11743	9.3
268.07654	5.1
269.04538	5.6
285.03897	6.8
401.26645	4.7
405.16812	5.2
407.21869	6.0
451.21262	51.6
505.17078	37.9
567.25183	7.6
611.24097	14.4
643.25757	11.0
643.39703	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	643.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.7
60.99300	4.9
61.98825	1.9
67.01888	15.7
69.03453	3.6
71.01379	7.6
73.02967	1.6
81.03462	2.0
83.30746	1.4
85.02935	7.0
87.00877	18.1
93.03459	83.7
94.03806	1.8
94.95792	1.6
97.02950	2.8
99.00816	1.5
100.69041	1.6
104.66408	1.8
105.51635	1.5
109.02943	2.4
111.04513	11.7
113.02525	1.8
124.01691	3.4
125.02429	2.1
129.01912	2.1
133.02974	3.7
134.03763	11.7
135.04526	63.6
136.05220	4.3
137.02396	2.3
151.03960	3.8
155.03474	2.4
160.01729	1.7
161.02425	3.0
173.04553	27.7
178.02632	1.6
179.03496	15.0
191.05609	76.0
207.09938	1.6
215.05728	1.6
220.25034	1.6
251.54309	1.6
292.19995	1.8
308.08994	5.4
309.20847	5.3
310.20966	5.6
311.21710	3.1
313.17828	1.8
314.18311	2.3
331.18951	3.2
332.19003	3.1
347.06979	1.7
351.07159	4.9
352.07986	8.0
353.08749	1.9
407.22192	2.8
451.21283	11.9
469.22144	2.7
598.63770	1.8
643.27551	100.0
644.27740	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	644.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.1
61.98828	100.0
68.99812	2.3
69.03474	1.4
69.87796	1.9
71.01389	4.6
77.54990	0.7
83.01391	0.8
87.00848	0.8
89.02440	3.5
93.03464	1.1
93.84625	0.6
96.96018	2.4
98.21970	1.2
101.02432	5.1
101.16604	0.7
113.02490	1.0
119.03510	1.5
121.02954	1.0
134.03770	1.4
135.04584	1.1
151.00378	1.8
161.02434	2.4
164.01242	0.8
173.04561	1.3
179.03497	1.6
191.05658	2.4
192.64775	0.7
211.13461	1.4
237.14961	1.6
245.15572	0.9
247.13412	0.9
273.15051	2.0
285.04013	1.1
301.07178	8.4
317.14252	1.1
317.17520	4.2
332.51346	0.7
349.16669	3.4
369.17340	1.3
387.18219	1.2
401.19958	1.5
419.20917	1.6
495.08478	0.8
511.22156	2.4
581.26019	21.2
581.34680	1.3
582.26770	2.7
616.93134	0.7
643.40314	0.9
645.42377	0.9
664.91388	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29792	0.7
59.01375	2.0
67.01886	1.1
67.72286	0.7
69.03452	19.7
70.31138	1.2
71.01376	3.0
73.02962	1.2
77.55659	0.8
79.74711	0.7
85.02948	1.5
92.56315	0.7
94.77679	0.8
95.05017	2.1
97.02950	100.0
98.03271	0.9
101.02447	2.5
105.03472	4.4
108.02166	0.8
113.02441	1.2
121.02942	3.1
123.04523	49.5
124.04857	1.0
149.02373	0.8
149.06047	3.5
161.04552	1.4
165.92009	0.8
167.07133	35.0
168.07521	1.1
181.08673	0.9
184.54744	0.9
199.09782	4.7
243.08594	1.8
243.13335	1.0
249.82339	0.7
269.10330	2.4
278.67505	0.8
310.80914	0.7
401.14490	12.1
645.29578	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74825	0.3
52.65226	0.3
55.97726	0.3
59.01374	0.8
61.98813	0.5
66.98734	0.3
67.01896	0.4
69.93295	1.0
71.01369	0.4
75.61197	0.3
77.14069	0.3
83.61164	0.3
85.02944	5.3
87.00875	1.2
93.03461	2.7
98.22517	0.4
109.02966	0.3
111.04523	1.0
127.03987	1.5
133.02988	1.8
134.03682	0.8
135.04521	10.3
137.94344	0.3
161.02438	10.6
171.02980	0.5
173.04555	1.6
179.03511	4.8
191.05612	100.0
192.06006	2.0
197.12691	0.3
291.19681	0.5
303.44083	0.3
309.20734	4.1
353.08759	18.5
354.09137	0.7
453.22559	0.5
483.26114	2.2
562.22607	0.3
645.29053	6.6
646.29523	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.1
59.01375	1.5
61.98853	1.3
70.58195	1.6
73.69167	1.0
82.05083	0.9
83.05043	0.8
85.02975	1.0
93.03450	1.8
99.08151	2.1
113.09737	2.1
129.09215	2.7
135.04512	2.3
139.11327	2.1
147.11806	3.2
151.11234	1.1
165.12825	3.0
166.28053	0.8
169.12366	1.6
171.10248	2.3
181.12279	3.0
183.13855	1.6
191.05630	6.1
193.08452	1.4
193.12282	2.5
197.11847	7.6
199.13487	4.4
199.15076	0.9
205.12224	1.1
211.13408	11.0
215.10507	4.8
219.10057	1.0
233.11588	44.2
234.11943	1.4
267.16467	0.9
275.20258	1.2
293.21283	10.8
311.22284	100.0
312.22681	3.3
333.20477	7.8
407.16052	0.9
545.32550	0.9
645.32263	1.1
645.43268	20.8
646.43597	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	647.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
62.38240	0.2
62.76547	0.2
67.01861	0.3
69.00206	0.2
69.03439	0.2
69.47998	0.9
71.01376	0.9
72.05280	0.2
73.89651	0.2
83.05005	0.3
85.02949	5.3
87.00861	1.0
89.02428	0.3
93.03468	1.9
93.80334	0.2
99.04520	0.3
101.02453	0.4
109.02911	0.6
111.04520	0.6
113.02475	0.3
127.04023	1.7
131.07138	0.6
133.02956	1.5
135.04491	0.7
137.02438	0.2
161.02425	1.3
171.03000	0.4
173.04517	1.1
177.01891	0.7
179.03474	0.7
191.05608	100.0
192.05962	1.5
202.67229	0.2
234.82323	0.2
286.66470	0.2
293.09732	0.2
293.12488	1.7
314.60104	0.2
326.24927	0.2
353.08765	15.5
354.09183	0.6
362.23212	0.2
656.13177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.368
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	3.6
69.60121	3.2
78.95914	11.6
80.22159	1.2
85.06616	1.1
93.03473	1.3
98.21922	2.3
114.54929	1.2
135.04523	2.7
150.60846	1.2
150.89468	1.2
152.99632	6.9
160.90800	1.3
162.83948	2.2
184.16315	1.1
191.05647	4.5
192.05879	1.1
199.13362	9.5
242.08020	3.7
270.18796	1.1
279.19711	7.9
309.10120	1.1
347.25769	5.6
365.26944	100.0
366.27390	8.6
519.27142	4.9
590.34637	83.8
591.35120	7.3
624.72186	1.3
647.36932	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	648.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
70.59180	0.3
80.05668	0.3
80.13123	0.2
102.53050	0.3
123.04730	0.3
125.24039	0.3
209.14014	0.3
237.21710	0.3
350.94241	0.3
370.79333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29826	0.6
57.69896	0.7
59.01383	6.8
69.03449	0.8
69.53770	2.2
71.01378	5.2
72.47009	0.7
73.02947	1.1
83.01366	1.3
85.02953	1.7
87.00880	1.0
89.02459	2.8
96.96024	2.5
98.21861	1.6
98.95607	1.3
99.00912	1.1
101.02451	3.4
102.68837	0.7
105.03455	1.0
107.26424	0.8
110.65066	0.7
113.02480	1.6
118.47139	0.8
119.03519	0.9
123.04575	0.8
125.02446	2.8
132.02173	2.4
133.02962	44.4
134.03725	2.7
135.04536	19.7
137.02469	1.5
148.05304	19.1
149.06070	3.0
151.00386	1.2
155.91463	0.9
159.04498	1.6
160.01651	1.1
161.02452	100.0
162.02791	2.0
163.07693	4.0
173.04573	1.5
175.04077	1.3
177.05568	3.1
178.02744	2.4
178.47598	0.7
179.03510	15.3
191.05632	3.1
203.03476	2.5
221.04614	5.8
251.05638	2.8
269.04596	1.3
276.97937	0.7
281.06723	6.8
285.04108	6.8
286.04349	3.6
287.05038	1.8
323.07709	3.2
341.08832	2.7
383.09833	28.9
384.10150	0.9
413.10822	0.8
425.10953	7.2
432.98300	0.8
485.13034	31.6
486.13043	1.6
649.21271	34.5
649.32306	1.8
650.21289	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	649.214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34460	0.3
59.01379	4.6
59.24221	0.3
61.98827	0.8
69.03458	0.4
69.16924	2.0
71.01376	3.4
73.02939	1.2
83.01421	0.5
85.02962	1.2
89.02453	1.6
92.75150	0.3
96.96009	0.4
97.02937	0.6
98.22562	0.8
98.27978	0.4
99.00871	0.4
101.02434	2.3
105.03467	0.8
107.05032	0.4
107.61960	0.4
109.02932	0.8
113.02464	0.9
117.03446	1.8
119.03515	0.4
121.02950	0.5
125.02425	1.8
132.02164	2.3
133.02957	41.8
134.03766	3.2
135.04524	16.4
137.02484	0.5
147.04561	0.4
148.05305	13.3
149.06073	2.1
159.04561	0.4
160.01723	0.5
161.02446	100.0
162.02806	1.3
163.03958	0.6
163.07678	2.3
165.76877	0.3
173.04543	0.6
175.04005	1.5
177.05565	2.6
178.02739	1.3
179.03496	13.6
179.36482	0.3
179.79976	0.4
185.47932	0.3
191.05693	0.5
193.05070	0.5
203.03526	1.8
221.04567	4.4
251.05583	2.0
263.05658	0.6
274.81714	0.3
281.06647	5.0
285.04013	1.0
293.06842	0.4
323.07700	3.1
341.08746	1.4
382.08893	0.6
383.09821	18.4
425.10834	5.5
449.10956	0.6
475.29077	0.5
485.13016	22.0
486.13538	1.0
499.14554	0.5
649.21332	44.0
650.21918	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	651.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31568	2.0
59.01377	60.5
64.56281	2.2
67.01887	6.5
68.99815	37.1
69.03455	23.6
71.01382	35.3
72.99342	2.2
73.02956	5.0
75.00888	2.9
81.03457	2.7
83.01380	4.7
85.02946	6.1
87.00864	17.3
88.35701	1.9
89.02438	32.2
91.63094	1.9
93.03456	12.7
95.01431	2.1
95.05036	3.5
96.96007	6.9
97.02972	11.1
98.05640	2.0
99.04549	2.1
101.02436	78.5
107.05061	7.1
109.02950	8.8
111.04519	7.0
113.02444	12.1
119.03506	10.6
119.05009	20.9
121.02949	15.6
123.04545	12.0
124.01635	2.2
125.02443	3.4
125.06117	2.2
127.04012	18.3
131.03500	2.9
133.02931	4.5
135.04494	14.9
137.02446	4.9
145.02948	5.5
147.04478	5.7
149.02460	6.4
149.04527	2.7
149.06070	4.6
151.03989	5.7
153.05598	9.1
159.04510	2.7
161.02455	12.9
163.03996	40.2
165.05530	5.8
167.07126	2.5
173.06059	4.2
175.02521	3.7
175.03960	5.1
175.07777	2.6
177.01932	4.4
177.05562	9.5
179.03528	7.7
179.05615	6.1
181.05106	12.3
191.03482	25.9
191.05183	3.5
191.07149	4.6
193.05042	7.9
195.06596	21.1
203.03516	7.7
205.05077	5.9
207.03020	5.0
207.06842	2.2
209.04558	4.6
211.05992	3.2
217.05063	5.1
221.04573	5.1
223.06088	23.4
235.02559	4.5
235.06081	6.4
245.04538	3.5
259.06113	3.2
267.05084	15.1
275.09262	2.4
277.07010	2.6
293.10220	4.5
305.10104	2.5
347.10864	3.0
427.12387	3.8
455.15372	4.2
457.13522	4.1
467.11893	3.1
471.15021	2.7
487.14456	7.7
489.16019	4.3
499.14566	100.0
500.14880	6.4
509.16824	3.6
517.15631	35.8
527.17230	2.7
529.15350	11.3
547.16504	7.4
571.16907	3.1
589.17609	14.9
607.18738	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3304
Annotation	Hydroxymycotrienin B
Peak:m/z	Relative Intensity
51.78113	3.8
59.01378	5.1
61.98839	20.6
63.18863	4.0
81.99148	4.8
155.19774	3.9
193.55974	4.2
269.04636	5.3
467.35529	4.7
651.33093	100.0
652.33459	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	653.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03114	0.6
57.03420	0.7
59.01381	35.4
69.03456	1.2
71.01385	15.7
72.99305	1.0
73.02950	3.1
83.01389	0.6
84.78255	0.7
85.02963	2.1
87.00858	0.5
89.02448	22.9
95.01389	1.3
99.00879	1.2
101.02441	11.7
113.02455	7.2
119.03502	8.8
131.03545	3.5
143.03444	1.0
149.04585	4.2
161.04613	1.4
165.05629	0.7
177.05733	0.8
179.05641	3.1
191.05600	1.1
204.85425	0.6
206.00011	0.7
260.48846	0.6
311.09851	100.0
312.10114	2.6
341.10770	1.8
491.24133	0.6
506.33426	0.7
586.08441	0.7
612.45557	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06146	0.3
52.16366	0.4
59.01394	0.5
61.98827	0.7
63.02405	1.1
65.00334	1.2
70.67767	0.6
83.01404	1.1
105.03459	0.5
107.01394	2.8
109.02962	0.8
121.02974	0.9
133.02946	5.3
134.03748	0.6
149.02478	1.9
151.00363	4.6
156.48079	0.3
175.04010	1.5
195.04521	0.4
197.06020	0.5
198.03148	0.5
199.04004	2.0
200.04767	0.5
201.02084	0.8
211.03984	0.7
212.04758	0.6
213.05507	0.5
217.05000	1.0
227.03505	1.3
239.03558	0.6
240.04216	0.4
241.05042	0.6
243.02921	0.7
255.02963	1.0
256.03781	2.9
267.03009	0.5
269.04590	1.0
283.02521	1.0
284.03281	37.1
285.04044	100.0
286.04358	4.7
287.05753	0.5
297.04080	0.6
327.05121	1.2
347.85818	0.4
469.13309	0.4
653.22400	61.6
654.22821	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	653.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.0
57.03434	3.4
57.03682	0.6
59.01379	24.5
59.97264	0.7
61.53392	0.7
69.03445	1.3
69.09959	0.8
70.03006	2.4
71.01381	26.3
72.99297	1.0
73.02946	17.6
81.03436	1.7
83.01395	6.4
83.05023	2.3
85.02954	15.1
86.00101	1.8
87.00868	3.1
89.02452	8.0
90.27853	0.8
93.03459	8.8
95.01379	2.6
96.79991	0.8
97.02961	2.2
98.22545	1.0
99.00871	5.8
101.02443	30.2
102.02781	0.8
107.57818	0.8
110.17484	0.8
111.04513	7.6
113.02454	9.1
115.04018	1.3
125.02440	2.2
129.01936	2.2
131.03508	1.4
137.02499	2.0
143.03439	1.1
155.03508	9.3
159.02994	2.3
161.04582	6.0
173.04549	19.9
185.11804	1.5
191.05638	1.5
199.95003	0.7
208.45631	0.8
233.06636	1.4
303.18225	6.9
347.17078	4.8
479.21356	70.4
480.21634	4.5
653.26611	100.0
654.27026	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	653.2659
Annotation	Cryptophycin 38
Peak:m/z	Relative Intensity
55.01873	1.0
57.03440	1.6
59.01372	11.2
60.99312	0.8
65.03947	0.7
67.01885	7.2
69.03447	1.9
69.33582	2.3
71.01376	13.4
72.03507	0.4
72.99281	1.1
73.02944	7.7
75.00858	0.7
75.69619	0.4
81.03441	1.2
83.01394	2.4
83.05030	1.0
85.02942	6.9
87.00878	1.3
89.02438	3.4
92.46194	0.5
93.03453	39.9
94.03796	1.0
95.01405	0.9
97.02949	1.1
99.00855	2.6
101.02431	11.7
109.02946	1.4
111.00898	2.0
111.04522	8.9
113.02455	5.2
115.04000	0.8
119.03536	0.6
125.02440	0.8
127.03980	0.9
129.01968	0.6
131.03528	0.5
137.02431	7.4
143.03497	0.5
155.03496	7.4
157.54477	0.4
158.40712	0.5
159.03008	0.9
161.04575	3.1
173.04541	100.0
174.04839	2.1
181.99661	0.5
191.05595	1.3
211.72607	0.5
303.18195	2.7
308.13483	0.4
315.35223	0.5
347.16925	2.7
403.05420	0.5
429.78418	0.4
435.22815	0.5
479.21326	51.1
480.21701	2.9
522.98260	0.5
566.55823	0.6
653.26569	67.4
654.27020	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	653.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59208	0.4
52.71658	0.3
61.98816	0.4
62.96399	0.8
63.42319	0.4
66.02605	0.4
71.42930	0.5
78.95905	100.0
92.79316	0.3
98.27984	0.4
113.77494	0.4
116.92847	0.8
136.28796	0.4
149.00085	5.1
205.15990	2.6
285.12531	3.6
307.65802	0.4
355.16739	2.2
356.56323	0.4
385.17847	1.4
417.12405	0.4
447.13431	4.5
550.01910	0.4
653.30145	40.6
654.30475	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82665	2.4
59.01365	4.2
61.98832	17.6
64.16521	2.3
71.01373	4.2
71.44013	2.4
87.99100	2.0
89.02431	2.8
96.95976	2.2
101.02452	2.8
134.49394	2.4
161.02440	2.8
178.47826	2.7
191.05692	4.7
241.01729	2.0
285.03979	2.7
409.43021	2.6
653.35016	3.8
653.44263	100.0
654.44446	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	654.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01153	0.7
59.01378	7.7
61.98829	8.5
68.99815	2.0
69.03432	1.4
69.10589	6.1
71.01371	3.9
73.62245	0.9
85.02938	1.4
88.98818	1.1
89.02439	2.6
93.03445	1.7
98.22608	1.7
101.02428	2.6
110.66734	1.1
113.02462	1.4
116.04995	1.0
116.92828	1.1
121.02911	1.1
122.02448	2.5
130.08719	8.9
133.02957	6.3
134.03702	3.0
135.04514	5.5
137.02441	2.0
142.06618	1.7
148.05331	2.0
151.00371	2.4
156.06642	9.9
161.02431	3.3
165.05585	1.2
167.06174	4.5
170.06024	0.8
177.05614	1.2
179.03455	4.7
181.07721	1.9
182.99841	0.8
191.05597	2.6
193.07672	1.5
195.09280	1.8
209.07196	4.1
219.09294	3.1
221.04588	1.5
221.07088	1.9
227.03400	0.9
235.08760	6.5
237.06779	5.3
237.10313	15.0
239.08260	1.1
247.08731	28.1
250.07607	1.0
251.08112	1.4
255.02788	1.2
256.03821	1.2
257.12878	1.6
261.06689	1.7
263.08240	10.7
265.09799	42.6
266.10181	2.0
283.08279	1.6
284.03235	9.1
285.04031	41.8
291.07733	20.4
293.09204	1.1
295.10776	1.8
317.12997	2.0
329.13742	1.1
334.86578	0.9
350.18716	1.3
360.17236	4.7
361.11392	1.2
371.14951	2.2
394.17468	2.8
404.16013	5.7
422.17175	29.2
423.17569	2.0
436.18204	1.0
444.12802	5.1
451.31546	0.9
464.18576	2.0
474.20502	2.4
492.21399	2.5
569.62213	1.0
579.23096	1.2
654.26672	100.0
655.20490	16.0
655.28497	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	655.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88237	0.6
59.01381	5.8
59.76173	0.7
59.92689	0.6
60.88048	0.7
61.98829	3.4
63.02401	1.2
65.00294	0.9
67.01853	0.8
69.03410	0.9
71.01378	3.4
71.60550	0.7
72.91676	0.7
83.01352	1.4
85.02947	1.0
87.00850	1.3
89.02392	1.9
93.03461	4.3
96.95992	1.2
98.21824	1.0
99.00838	0.8
99.92501	0.9
101.02407	2.7
107.01374	1.6
108.02185	0.7
109.02921	1.1
111.04549	0.8
113.02392	1.0
116.92876	8.3
121.02975	1.2
133.02979	8.2
134.03790	3.4
134.04567	0.7
135.04546	5.4
136.10439	0.7
137.02374	1.9
139.04001	1.1
139.48503	0.7
148.05170	1.1
149.06078	0.8
150.03188	1.2
151.00409	3.5
160.01637	2.5
161.02481	3.5
173.04547	2.6
174.03185	1.4
175.03947	1.5
176.04747	1.0
177.01949	0.8
178.02641	1.4
179.03496	4.4
187.03970	0.9
191.05627	4.5
199.03976	1.9
200.04794	1.0
202.26808	0.7
211.03972	0.9
211.13326	1.1
213.02031	1.1
213.05467	0.9
218.44292	0.8
221.04630	0.8
227.03375	1.2
241.04927	0.7
255.02983	100.0
256.03577	7.3
263.07910	0.7
266.88260	0.7
268.03842	1.0
269.04517	2.6
281.04477	1.2
283.02490	97.8
284.03253	40.6
285.04031	62.6
286.04501	2.0
296.03256	3.4
297.04086	2.9
299.16467	1.7
313.03540	5.8
319.06131	1.8
325.03510	3.5
325.14386	1.1
327.05133	1.1
327.15933	1.0
343.15576	3.6
347.05615	2.0
371.14954	5.4
423.07196	1.7
435.11075	1.1
444.12900	3.5
445.07922	6.0
446.08539	85.8
447.09247	17.3
463.10324	1.6
475.10278	5.4
493.11240	3.6
592.20764	0.8
593.13263	2.0
637.25067	3.4
655.17169	15.7
655.26489	11.0
655.39514	3.5
656.17328	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	655.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60101	2.6
58.84841	2.1
59.01379	39.3
61.98818	5.6
65.00304	5.3
67.01882	2.7
68.99816	5.7
69.03427	4.9
70.60870	4.7
71.01375	26.5
71.56597	1.8
72.20975	2.0
73.02939	6.6
75.00842	2.9
83.01389	5.9
85.02939	13.5
87.00868	3.8
89.02447	19.1
93.03449	11.1
95.01381	3.9
96.96031	3.8
97.02936	3.4
99.00871	7.5
99.92570	3.0
101.02438	24.3
105.01945	2.3
107.01397	4.0
109.02950	16.9
111.00897	4.4
113.02469	11.1
116.92867	42.2
117.03497	3.2
117.92930	2.9
119.03594	4.5
119.05029	84.4
121.02981	2.8
125.02399	5.4
131.03473	3.3
133.02957	22.4
134.03703	8.8
135.04526	96.8
136.01707	2.6
136.04848	4.0
137.02446	5.2
142.71765	2.3
145.03008	4.6
149.02400	3.0
149.06104	3.4
151.00357	11.6
151.03989	5.2
153.01965	10.0
155.03490	2.9
159.04503	12.0
161.02426	40.1
161.04498	2.3
161.05997	3.0
163.00392	5.4
163.04010	40.1
165.05580	2.9
171.04466	3.6
172.05264	23.0
173.04601	4.6
173.06009	3.1
175.00479	2.4
175.03915	3.4
177.01868	3.7
177.05545	7.6
178.02571	3.2
179.03516	15.7
185.05965	3.8
187.03987	9.3
188.04782	2.8
189.05620	2.4
191.05560	14.6
193.05025	5.8
195.04491	3.5
197.06111	2.9
199.03964	4.6
200.04750	4.3
201.05562	6.0
203.03462	4.7
211.04062	3.2
213.05511	5.6
215.03540	2.8
219.06519	2.6
221.04590	18.3
223.15242	2.1
227.03490	20.5
227.07014	2.7
228.04205	6.3
229.01314	2.9
229.04926	3.5
231.06548	3.0
237.05569	6.5
239.03461	7.0
253.05099	4.6
255.02878	5.5
255.06625	4.6
255.13870	2.5
257.04657	2.9
257.15390	3.7
269.04498	6.1
279.02905	3.0
281.04178	11.7
283.13391	100.0
283.16577	5.5
284.03210	4.9
284.13708	5.3
285.04047	22.8
287.05579	5.2
297.03494	3.4
297.06369	4.0
299.05508	6.8
301.14496	30.2
301.18103	3.1
307.02408	4.2
309.14893	8.5
311.07990	2.8
311.12848	6.5
313.07178	3.8
325.03418	7.0
327.12463	26.6
327.16003	6.0
328.12808	2.4
329.13510	5.3
331.11914	2.8
341.09009	2.6
345.13339	16.8
345.17072	5.4
347.16968	8.0
353.13861	5.6
357.06177	2.6
371.14975	61.5
372.15302	2.5
391.08243	12.8
417.09671	4.9
423.07129	10.2
433.09158	6.1
443.07468	6.0
449.12283	18.4
461.08768	42.8
462.09299	4.6
465.11667	2.8
475.10037	2.5
475.28732	3.7
493.11298	23.8
493.30350	4.0
523.35260	2.7
566.72961	2.7
611.23499	48.0
612.23688	3.0
623.14105	6.1
637.25214	3.5
655.25549	75.5
655.38080	40.5
656.26624	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	655.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16256	2.3
59.01379	38.9
61.98822	7.2
65.00314	3.5
67.01884	2.2
68.99829	5.4
69.03455	4.3
70.59614	3.9
71.01377	25.0
71.75932	2.1
73.02947	9.2
75.00889	2.6
83.01393	7.2
83.10049	3.0
85.02952	12.6
87.00858	5.5
88.98798	2.1
89.02434	18.5
93.03459	11.0
96.96011	6.5
98.22668	2.2
99.00881	4.3
99.92603	6.5
101.02448	24.2
107.01388	2.6
108.02184	4.0
109.02953	21.9
111.00881	7.6
113.02472	6.6
116.92867	59.1
116.93697	3.9
117.03486	2.7
117.92839	2.8
119.03535	5.3
119.05022	99.9
120.05408	2.7
121.02950	4.0
123.04484	2.7
125.02457	3.8
131.03526	2.8
133.02957	24.5
134.03743	5.5
135.04520	98.2
136.01703	5.6
136.04887	4.0
137.02431	6.2
145.02928	3.5
147.04504	5.1
149.02351	2.7
149.04501	2.7
149.06097	3.9
150.03214	4.5
151.00281	12.0
151.03986	6.3
153.01923	9.9
155.10764	3.2
159.04475	11.9
160.01776	2.9
160.05276	5.3
161.02451	57.1
161.04514	2.7
161.06059	2.8
162.03099	4.2
163.00456	5.3
163.04013	57.0
172.05290	25.6
173.04539	5.4
173.06015	4.2
175.04039	3.7
177.01878	2.6
177.05530	11.7
179.03500	22.6
183.04691	3.3
185.06029	3.7
187.04016	6.8
191.05620	16.6
193.05078	6.2
195.04456	3.2
199.03949	5.2
200.04770	5.9
201.05537	6.1
203.03418	3.9
211.03993	2.7
213.02161	3.0
213.05630	7.6
221.04588	15.3
227.03523	18.2
227.07019	3.1
228.04309	8.2
229.04953	4.4
231.06674	2.8
237.05455	5.1
239.03384	4.6
253.04987	3.6
255.02982	6.5
255.06650	2.7
255.13734	2.6
257.15472	3.3
269.04568	4.6
281.04492	7.9
283.13397	100.0
284.03137	4.9
284.13663	5.3
285.04025	18.4
287.02252	4.1
287.05597	7.3
297.06107	2.6
299.05563	6.7
301.14423	27.8
302.14688	2.5
309.14896	8.3
311.07742	8.2
311.12869	6.8
323.07565	4.0
325.03571	7.8
327.12296	23.1
327.16077	5.6
329.13730	5.2
331.12018	4.8
341.08554	5.9
345.13290	20.5
345.17081	8.0
347.17072	7.7
353.09366	2.4
353.13904	8.4
371.14932	69.2
372.15213	2.8
391.08139	9.3
405.09625	2.6
417.09695	6.1
423.07150	13.7
433.09183	4.5
443.07590	3.6
449.12503	9.3
461.08740	32.1
475.10400	4.4
475.28082	3.7
493.11261	16.2
493.17480	3.1
494.11734	2.8
523.34406	4.8
611.23425	48.1
612.23560	4.5
637.25122	3.8
653.91351	2.6
654.37732	4.9
655.25653	97.0
655.38232	40.6
656.27277	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	655.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82544	0.3
55.01859	0.4
58.00579	0.7
59.01379	21.2
69.03464	0.6
71.01009	0.7
71.01382	9.9
71.01748	0.3
73.02919	0.6
83.01382	0.8
85.02941	1.6
85.06579	6.0
87.00854	0.8
89.02445	10.5
95.01380	0.9
99.00900	0.4
101.02443	7.2
113.02438	3.6
113.06093	2.6
115.07643	1.0
116.92877	2.5
119.03498	5.0
127.07654	1.4
131.07140	33.9
135.04489	0.4
148.19917	0.4
151.36783	0.3
161.02362	0.5
163.03996	0.4
164.07222	0.5
173.08185	1.1
179.03473	0.6
179.05533	0.5
191.05582	0.4
293.12433	100.0
294.12817	3.1
323.13586	1.0
340.55667	0.4
611.30585	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98845	3.8
71.44617	1.6
72.28564	1.7
78.95898	4.2
96.99301	2.6
107.01984	1.9
111.50520	1.5
116.10146	1.9
141.01686	70.3
152.99637	2.0
176.77870	1.6
210.87106	1.6
279.23337	2.3
451.78027	1.8
595.29022	3.7
652.55957	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	656.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23230	0.3
59.01391	0.7
61.98831	4.8
63.02390	0.9
65.00343	0.5
75.00857	0.5
81.96896	0.4
89.02472	0.4
91.54476	0.4
93.03436	0.4
107.01373	1.8
109.02956	0.6
111.42766	0.4
112.55415	0.4
112.91096	0.4
117.03458	5.2
119.05034	2.2
119.60962	0.3
121.02906	0.6
133.02945	4.8
135.04558	0.7
145.02950	12.0
149.02399	1.8
151.00369	3.7
161.02451	1.1
163.04021	1.1
171.42227	0.4
175.03918	1.9
177.01942	0.5
191.05640	0.7
199.04013	2.0
201.01895	0.6
209.50871	0.5
211.03961	0.6
215.54854	0.4
217.05037	1.3
241.05080	0.8
243.03052	0.9
256.03754	1.1
269.04510	1.7
284.00110	0.9
284.03259	17.3
285.04025	100.0
286.04391	5.1
299.82132	0.4
335.83115	0.4
438.78851	0.4
447.09152	0.8
593.12970	86.4
594.13354	8.3
637.24945	0.8
638.25073	1.1
655.38336	0.9
656.37836	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61491	0.6
59.01371	1.9
61.98823	2.4
63.02389	0.7
63.82326	0.5
65.00338	1.0
66.98517	0.6
69.16673	3.1
70.64988	0.5
71.01380	2.3
73.02930	0.7
77.11681	0.5
83.01407	0.7
89.02463	0.6
93.03476	1.0
101.02433	1.1
105.03492	0.5
107.01398	0.6
109.02982	0.7
113.02428	0.9
117.03479	4.2
117.11700	0.5
132.02203	0.9
133.02022	0.9
133.02956	12.8
134.03667	0.7
135.04529	12.6
149.02400	1.9
149.06075	1.1
151.00385	1.7
156.17900	0.5
159.04472	0.9
161.02448	39.8
162.02805	0.8
177.01944	0.6
177.05603	2.4
179.03494	9.8
191.05560	0.7
197.06194	0.5
200.03047	0.6
203.03516	0.9
221.04559	3.1
225.05598	1.3
268.03860	1.1
269.04544	100.0
270.04950	5.1
280.63727	0.6
285.04022	1.4
323.07745	13.6
371.15393	0.7
593.12988	73.7
594.13220	8.6
655.39282	1.8
656.27045	1.0
656.38916	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26668	0.7
57.03462	1.9
59.01390	1.3
59.44937	0.6
61.98831	3.1
65.00326	5.4
69.09802	1.5
69.10207	2.4
70.66968	0.5
74.42017	0.6
83.01418	2.8
89.02482	0.7
101.02540	0.8
107.01389	8.9
109.02954	0.7
116.92928	1.7
117.92952	1.0
118.92685	0.9
123.04557	1.5
124.01747	0.8
125.02444	13.9
125.03296	0.9
131.11267	0.6
133.02969	1.3
135.04546	4.4
136.01683	0.6
137.02444	0.9
137.75032	0.7
149.02542	0.6
151.00372	30.9
152.00810	0.6
159.60156	0.7
160.05298	2.0
161.02454	5.3
165.01974	1.5
167.03519	2.6
172.05287	7.7
172.06487	0.7
173.06055	1.2
175.04091	1.5
179.03491	1.1
183.04471	1.1
185.06059	0.7
186.06870	1.0
187.04012	1.5
188.04799	0.8
191.05653	1.1
196.05382	1.0
196.15964	0.6
198.03369	0.8
199.04031	1.0
199.07756	0.7
200.04785	2.8
202.06433	0.8
210.06837	1.3
211.04109	0.9
212.04869	0.8
213.05545	1.2
214.06451	1.3
224.04826	1.8
226.02855	0.8
226.15341	0.6
227.03543	1.6
228.07962	0.8
236.04930	0.8
237.05486	0.8
238.06294	1.2
240.04222	3.3
241.04857	0.7
249.05576	0.8
251.07201	0.9
253.05217	1.4
255.02968	0.7
255.13976	0.8
256.03632	1.2
261.05627	0.7
262.06708	0.6
263.03595	0.8
264.04288	2.0
265.04919	1.1
266.05893	0.7
269.04608	2.4
270.04813	3.6
277.05042	1.2
283.02548	2.6
284.03253	12.7
285.03986	2.8
285.40857	0.6
286.04489	0.6
287.05646	2.2
292.04016	1.0
294.05392	0.8
295.06393	0.7
305.04553	3.7
306.05371	1.4
307.05984	1.2
308.03293	5.6
309.04028	15.1
309.07492	1.1
322.04852	6.8
323.05527	3.2
325.14398	6.1
326.14685	0.9
333.04077	1.7
334.04816	2.1
335.05627	2.4
343.15561	3.3
349.14554	0.9
351.05038	2.7
351.12256	5.2
352.05859	2.0
354.04117	0.8
365.13599	0.7
367.15466	3.3
369.13358	9.1
391.15335	1.3
407.14819	1.4
409.16553	2.5
433.12766	13.6
433.18109	0.8
435.14542	1.1
451.13959	26.3
452.14551	1.9
477.15598	8.7
495.16605	100.0
496.16937	7.6
537.17700	3.0
594.13110	1.1
595.14240	2.4
601.41797	0.8
621.15314	0.9
639.20300	0.9
657.21844	83.3
658.22296	7.7
658.60181	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08536	0.9
54.71388	1.0
55.17020	0.8
56.29570	0.9
57.03442	6.1
59.01371	1.2
63.02391	1.5
65.00318	8.5
69.38198	3.3
72.90957	0.9
81.03471	1.2
83.01369	4.3
89.28757	1.1
89.41357	1.1
92.12768	1.0
107.01386	11.3
123.04480	1.3
124.01572	1.1
125.02448	81.4
126.02736	1.2
136.05241	1.5
146.03723	1.5
149.02438	1.7
151.00369	32.1
161.02435	2.5
165.01918	2.1
167.03526	2.4
172.05278	3.8
174.03194	5.3
175.00385	1.3
175.81973	0.9
185.06004	1.8
186.06871	7.0
211.04016	0.9
212.04778	8.8
227.10855	1.3
228.04211	1.1
230.96315	1.1
239.03482	1.1
240.04279	2.9
255.02974	2.2
255.13844	1.4
256.03870	2.3
257.12921	5.2
281.15494	2.3
284.03275	7.6
285.03961	4.0
295.02335	1.3
296.03204	3.9
297.03998	2.8
297.14966	17.4
298.15103	1.1
301.11951	6.9
308.03128	1.5
309.04019	6.8
315.15997	12.7
316.16254	1.2
317.13843	1.5
325.14468	7.1
337.03488	2.3
337.07275	1.4
339.15921	1.2
341.13940	6.1
343.15488	25.2
344.15802	2.2
351.12271	1.3
367.15552	10.3
369.13412	54.4
370.13654	3.3
381.16949	1.0
391.15582	7.9
433.16370	3.9
449.16315	4.5
449.33121	1.1
459.14670	1.5
467.17145	10.4
477.15466	18.9
495.16614	96.0
495.32236	2.4
496.17200	6.1
501.15671	2.3
537.17584	4.1
639.20630	11.2
657.21875	100.0
657.37604	5.5
658.22357	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	657.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93912	2.5
58.97805	2.2
59.01381	100.0
61.98819	5.0
62.05284	2.6
69.03442	2.7
71.01379	51.8
72.99304	3.7
73.02946	3.1
75.00867	4.6
85.02946	10.9
87.00875	5.4
89.02444	64.6
93.03432	12.4
95.01426	2.7
96.96040	3.1
101.02448	31.8
109.02953	5.8
111.00877	4.5
113.02451	21.7
119.03509	28.6
119.76563	2.3
121.02923	2.6
131.03474	4.3
133.02974	5.2
135.04541	6.9
137.02449	23.7
143.03523	6.8
149.02472	3.7
149.04649	2.1
149.06087	5.6
151.04041	4.1
161.02466	24.0
161.04539	8.4
163.04018	3.2
165.01964	4.6
173.04573	3.7
176.04837	11.6
177.01953	23.0
177.05605	17.9
179.03508	26.7
179.05563	22.1
189.05553	15.2
191.05620	7.3
192.04303	14.8
194.05818	24.4
195.06604	6.9
207.06586	21.2
209.08176	36.5
210.05371	2.7
212.92194	2.6
221.04556	7.5
225.07597	15.4
236.86696	2.3
285.04004	4.1
287.98767	2.7
299.08170	2.6
311.07727	14.3
311.10785	2.9
355.87006	2.3
387.12860	5.3
457.81372	2.8
594.16412	3.9
657.28247	5.1
657.37317	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	657.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01710	1.4
61.98837	1.6
67.01898	0.9
71.01379	3.6
71.44845	1.0
73.02950	1.0
75.00882	0.9
85.02954	1.0
87.00916	0.8
88.98775	0.9
89.02457	3.4
90.40727	0.8
93.03464	3.2
99.81979	0.7
101.02461	2.7
105.75405	0.7
107.05048	0.8
109.02948	0.9
111.02908	0.6
113.02451	1.3
116.92896	3.6
119.03516	1.4
124.01749	0.7
125.02489	1.7
133.01524	0.8
133.02989	2.2
135.04573	2.2
137.02449	5.2
138.05635	2.3
139.37975	0.7
151.04056	1.3
160.15419	0.7
161.02432	10.7
165.01929	30.0
168.00745	1.2
173.04610	2.6
174.04993	1.6
175.05110	1.1
175.07661	0.7
176.04825	3.6
177.05608	0.8
179.03500	17.4
180.04276	26.0
191.05682	4.5
191.07114	1.4
194.05841	12.4
195.06625	42.8
196.07071	1.9
209.08192	24.7
210.05331	7.3
210.08476	1.2
225.07683	78.8
226.08112	2.9
306.07791	0.7
311.08850	0.7
327.12985	0.9
328.09595	1.2
343.11951	1.8
347.17316	1.0
357.10065	2.7
372.12137	5.5
387.14508	26.1
388.14880	1.4
435.16599	26.3
435.22461	1.5
436.17041	2.0
502.08063	0.8
657.26233	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	657.37
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
57.03440	1.5
59.01382	13.2
61.68739	0.6
61.98840	2.8
62.59641	0.6
68.99803	1.4
69.03447	1.8
70.32236	1.2
71.01385	13.2
72.99309	3.2
75.00874	84.5
78.51740	0.6
83.01392	3.3
83.05050	1.1
85.02948	7.9
87.00877	5.4
88.98801	3.1
89.02448	4.3
93.03439	1.8
95.01395	0.6
96.96018	2.5
97.02953	1.1
99.00878	4.2
101.02455	10.6
108.02190	1.0
109.02939	1.2
111.00890	2.6
113.02450	4.7
119.03455	1.0
123.00983	0.8
123.04520	0.9
124.01642	0.7
125.02431	0.6
127.04020	0.7
133.02953	1.9
134.03717	1.0
135.04543	5.9
137.02481	0.8
138.65637	0.6
141.01936	0.6
141.76823	0.5
143.03560	0.7
149.06133	0.8
150.03265	1.3
151.00374	0.8
152.01129	0.7
153.01971	0.7
155.03508	0.9
159.03128	0.8
159.04462	0.9
161.02463	3.9
163.04106	0.6
165.05586	1.4
167.03458	0.8
167.48830	0.5
172.10162	0.7
173.04590	1.0
176.04765	0.7
177.05647	1.2
179.03525	2.1
179.05492	0.8
181.12537	0.5
188.04796	0.9
189.05632	0.6
191.05603	6.8
203.07176	1.0
206.05959	0.9
207.01295	0.7
207.06700	0.6
209.11835	1.7
209.15454	0.6
221.08298	3.4
232.16005	0.6
283.10962	0.9
285.04007	2.6
289.73117	0.6
359.27881	0.9
389.29022	1.0
447.09259	1.9
447.14795	0.9
465.15509	1.3
495.17102	0.7
575.34308	0.8
597.27979	1.0
603.33685	3.0
612.75159	0.8
621.17957	0.9
621.34790	6.7
622.35577	0.8
626.23914	0.8
639.36395	1.2
657.37054	100.0
658.26978	1.0
658.37384	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	658.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	16.8
61.23272	2.8
61.98834	6.8
62.37770	2.7
69.07317	16.5
71.01385	45.3
73.02952	13.0
83.01366	6.3
83.18140	2.4
85.02943	19.8
89.02440	6.4
95.01388	4.7
98.22623	5.0
99.00907	4.2
101.02432	38.7
113.02444	22.6
124.01697	3.1
143.03542	3.4
146.86710	2.9
159.02945	6.0
161.04562	71.3
162.04839	3.5
164.56540	2.8
186.82356	2.9
191.05576	4.1
290.99069	2.7
407.29358	5.4
453.30020	41.6
454.30545	4.4
471.72952	3.0
497.18149	4.2
536.14648	3.0
615.35321	100.0
616.36017	15.3
658.35175	6.0
659.27863	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	659.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.0
62.85131	0.3
67.01876	0.9
69.03452	0.3
69.48377	0.9
71.01372	1.3
73.02943	0.5
81.03451	0.4
83.05009	0.5
85.02947	6.3
87.00872	2.0
89.02424	0.3
93.03455	6.6
105.03448	1.1
109.02953	3.5
111.04494	1.7
123.04506	0.4
127.04047	1.7
133.02956	8.0
135.04523	4.5
137.02446	0.3
138.05566	0.6
155.03453	0.5
159.04515	0.8
161.02432	3.7
166.70203	0.3
171.03006	0.4
173.04558	4.5
177.01909	2.6
179.03497	2.7
185.02440	0.9
191.05606	100.0
192.05972	2.4
203.03444	0.8
209.38197	0.3
215.05614	4.0
215.19968	0.3
216.05829	0.3
229.01416	1.9
267.06604	0.6
276.04385	0.3
277.05020	1.0
293.04504	0.4
295.06070	2.4
305.11270	0.6
307.08060	0.9
321.04044	1.1
339.05051	6.5
340.05557	0.4
351.07181	8.7
352.07428	0.7
353.08737	11.9
354.09299	0.7
414.84970	0.3
449.08588	0.3
467.09689	3.9
559.27216	0.3
659.15863	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06588	0.7
57.03440	5.5
61.98860	1.2
65.00321	9.3
65.00631	0.8
70.42858	1.6
81.03491	3.0
83.01388	8.5
95.05087	0.9
99.00891	0.7
107.01389	13.5
107.02011	1.0
109.02939	0.7
112.38999	0.8
121.02958	0.8
123.04516	21.6
123.05332	1.4
125.02448	60.2
135.04529	1.2
136.01585	0.8
137.02431	0.8
146.03755	1.2
149.02463	2.8
151.00368	51.0
151.04007	1.5
152.00723	1.4
159.04601	1.2
160.05333	4.5
161.29164	0.8
167.03491	51.1
168.03905	1.3
172.05261	7.1
173.06143	2.0
175.00346	7.7
176.04935	0.8
177.02005	2.9
178.26607	0.8
181.05121	1.1
185.06189	1.3
186.06964	2.0
187.03978	2.6
187.07703	0.9
188.04861	1.2
191.03481	9.5
192.26088	0.9
193.01527	1.1
198.06715	0.7
199.04109	2.4
200.04744	5.9
201.05678	2.2
202.06396	2.4
209.04617	2.1
213.05641	1.1
221.04575	1.0
222.01845	0.8
225.05458	0.8
227.03557	6.2
228.04277	6.0
232.01263	0.7
257.15323	1.5
281.15466	1.1
283.13373	40.3
284.13788	2.3
285.15073	0.9
301.14420	15.3
302.14899	1.0
309.03973	6.4
309.14951	9.3
310.04819	4.0
311.12860	15.5
313.05725	1.3
318.05557	0.9
325.14453	1.6
327.12396	5.4
327.16077	9.7
329.08536	1.8
329.09277	1.4
329.13913	27.9
330.14270	2.3
335.12912	1.0
345.17053	7.9
346.17966	0.9
353.13904	6.3
371.14963	40.4
372.15424	3.3
453.15381	12.3
454.15979	1.6
461.15558	0.8
479.17111	11.3
480.17151	1.4
497.18167	100.0
498.18536	9.1
503.17010	1.8
521.18396	2.2
539.19525	2.2
563.19171	1.3
615.21002	2.8
641.22388	2.2
659.23376	44.6
660.23822	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	659.2344
Annotation	Leptolepisol C 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.17341	0.6
53.63388	0.6
53.68520	0.7
55.19434	0.6
55.91197	0.6
57.03452	6.5
61.98876	0.8
63.97242	0.7
65.00318	9.4
67.93703	0.6
69.71275	2.1
70.64648	0.6
71.21004	0.6
72.07800	0.6
73.79488	0.6
81.03454	3.3
83.01379	7.3
95.05068	0.7
107.01387	13.3
109.03028	0.8
121.03002	0.9
121.91193	0.7
123.04520	26.7
125.02442	63.1
126.02816	0.8
131.01422	1.8
135.04556	1.1
136.57210	0.7
137.02544	1.2
146.03831	1.1
149.02527	2.0
151.00368	52.4
152.00809	0.7
153.02071	0.8
154.27007	0.7
159.04614	2.5
160.05261	4.9
161.02534	0.8
163.04198	0.7
165.01944	0.9
166.02733	1.2
167.03491	58.6
168.03952	1.1
172.05290	8.0
173.06133	3.5
174.06885	0.9
175.00354	7.8
175.04005	0.9
177.02017	2.5
178.35327	0.6
179.03545	0.7
181.05161	1.4
185.06061	0.9
186.06906	2.5
187.03951	3.1
188.04828	0.9
191.03587	9.3
191.05588	1.6
193.01443	0.9
197.06113	1.0
199.04137	1.6
200.04752	5.9
201.05582	2.0
201.09262	0.8
202.06441	1.9
209.04494	4.3
211.07671	1.0
213.05634	1.1
214.06332	0.8
227.03520	8.2
228.04276	4.9
233.04543	1.2
257.15546	1.2
267.13947	1.0
273.05289	0.7
283.13385	39.9
284.13818	1.9
285.14951	0.9
292.07468	0.7
299.16638	0.9
301.14441	14.4
307.05960	0.7
309.04135	5.6
309.14932	8.7
310.04755	5.2
311.12878	15.4
313.05569	1.5
319.15585	0.9
325.14432	2.3
327.12357	5.3
327.16058	9.7
328.16965	0.8
329.09055	1.5
329.13931	31.7
330.14273	1.9
335.13000	1.0
343.15649	1.0
345.17023	6.9
353.13919	7.5
371.14951	42.3
372.15323	2.9
375.53104	0.7
391.15424	0.8
417.17145	0.9
435.13962	0.9
453.15390	14.2
461.16016	1.3
479.17068	9.7
497.18149	100.0
498.18530	8.4
503.17404	1.2
521.18262	1.9
539.18884	2.4
596.88611	0.7
615.20782	3.6
641.22095	2.4
659.23364	39.5
660.23645	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	659.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03478	0.8
59.01390	0.8
60.84589	0.6
65.00329	8.9
70.51110	0.7
70.51428	0.9
83.01353	3.5
93.03462	0.9
98.22568	0.7
99.78208	0.6
107.01390	12.9
107.85681	0.6
109.02943	0.8
122.99483	0.6
125.02449	9.7
131.01416	1.3
132.02200	0.7
134.03754	5.7
135.04509	1.4
136.05330	1.0
148.05305	10.0
149.05923	0.7
149.09769	0.7
150.06873	1.8
151.00374	52.9
152.00667	1.3
160.01665	2.6
162.03253	1.0
164.01187	1.7
167.03558	1.1
174.03262	1.8
174.06868	2.4
175.00388	4.8
176.04768	2.1
177.01930	4.7
180.04301	1.0
187.07756	1.0
191.05685	2.0
199.04012	1.4
200.04846	1.3
213.05618	0.8
257.15469	22.8
258.15829	1.4
271.17004	0.9
273.18582	2.1
283.16656	0.7
285.04056	2.8
285.15067	0.8
286.04825	1.7
299.16519	23.3
300.16922	1.7
309.15396	0.7
311.56934	0.6
317.17584	19.5
317.21313	1.2
318.17984	1.3
319.15799	1.5
325.14511	1.8
327.16034	8.3
343.15561	8.0
344.15558	0.7
345.17062	38.2
346.17365	2.3
353.13953	1.3
371.14963	23.4
372.15649	1.3
454.09903	0.6
467.20660	0.9
496.70670	0.6
497.18195	100.0
498.18631	7.1
539.19067	3.2
659.23474	33.0
660.23853	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	659.292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99781	0.5
54.86982	0.5
59.01382	6.2
61.11259	0.5
64.32299	0.6
67.01892	18.9
68.99814	13.0
69.03451	2.8
69.39795	2.6
71.01368	0.9
79.97505	0.6
85.87198	0.6
87.00871	2.0
89.02450	0.7
93.03443	0.7
95.05029	100.0
96.05382	2.2
96.95982	0.9
98.22568	1.1
99.04549	1.2
101.02444	33.2
111.00890	11.5
111.04522	1.2
112.01664	0.9
119.05020	1.5
121.02141	0.9
121.02976	13.6
121.06589	1.2
123.04543	2.8
127.04012	62.5
128.04362	0.8
139.00381	28.4
139.04018	19.3
141.01678	2.1
141.46942	0.6
147.04477	1.0
149.02438	0.7
165.05569	6.9
171.02910	0.9
173.04436	0.7
181.05089	1.3
197.08176	1.6
209.04579	3.1
215.00156	0.7
223.06189	0.8
241.07173	45.0
242.07581	1.7
273.09741	3.3
286.18768	0.6
322.31772	0.6
382.09372	0.7
477.68903	0.6
517.22729	1.2
571.17316	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21515	0.5
53.58586	0.4
55.38719	0.5
59.01380	11.5
64.18339	0.5
64.80553	0.4
67.01889	20.3
68.99819	15.1
69.03453	2.0
69.11243	1.8
69.11670	1.7
71.01373	1.0
93.46764	0.6
95.05027	100.0
96.05368	2.2
96.95991	0.7
97.02963	0.5
99.04523	0.8
101.02442	30.7
111.00884	8.4
111.04510	1.0
112.01657	0.6
121.02965	11.2
121.06602	0.7
123.04546	2.8
126.84923	0.5
127.04014	61.4
128.04398	1.6
137.06026	0.6
139.00383	25.7
139.04010	16.6
141.01689	6.2
141.04587	0.5
147.04454	0.9
153.05457	0.5
165.05547	6.3
171.03000	1.1
179.07051	0.7
191.05626	0.7
209.04541	3.2
210.22491	0.5
223.06213	0.8
227.09293	0.8
241.07176	32.1
242.07521	2.1
243.07617	0.8
273.09851	3.2
282.78345	0.5
359.95609	0.6
519.23883	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.9
69.11829	4.8
78.95905	100.0
96.96005	2.7
96.96955	7.8
101.45827	0.8
115.74889	0.8
150.98067	1.1
152.99591	66.3
166.08948	0.7
171.00642	41.6
189.33705	0.8
190.23685	0.9
208.02647	0.7
218.73863	0.8
227.03317	2.0
245.04347	1.4
250.96236	0.8
253.21581	0.9
279.23309	6.0
306.99802	1.4
399.04575	0.8
433.23608	12.3
481.25626	2.8
507.27231	1.1
569.22620	1.1
579.28906	2.0
617.42096	0.9
661.27563	21.9
662.28339	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	661.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75740	0.6
76.26129	0.5
78.95904	100.0
80.51238	0.6
96.95994	1.8
96.96964	8.8
140.14668	0.6
150.97997	0.7
152.99591	68.8
157.90564	0.6
171.00642	40.3
227.03250	1.8
245.04295	2.3
253.21637	1.0
260.19418	0.7
279.23227	5.0
306.99915	1.9
433.23639	13.7
434.23981	1.0
481.25772	2.6
489.26013	1.0
507.26999	1.4
569.22443	0.9
661.27478	22.7
662.27942	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	661.288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23087	1.3
59.01366	3.6
60.99284	1.7
61.98837	7.5
67.01884	5.8
71.01380	4.7
72.88177	1.3
73.02957	1.2
85.02933	10.4
86.16668	1.7
87.00880	7.3
93.03461	28.8
97.38848	1.4
108.02164	4.4
109.02953	2.9
111.04544	2.3
116.92873	4.2
121.02957	2.8
124.01640	4.0
125.02441	1.6
126.03210	2.2
127.04056	2.4
132.02063	1.6
133.02980	10.8
134.03746	6.7
135.04532	65.2
136.05316	6.9
137.02501	3.1
151.00354	1.6
151.03979	4.7
155.03485	2.6
160.01657	5.4
161.02478	6.7
173.04547	10.9
174.03209	1.8
177.02016	2.4
179.03496	14.6
191.05614	100.0
192.05920	3.6
215.05557	2.6
283.13077	1.4
285.04208	1.8
307.08282	2.9
308.09009	8.5
351.07123	13.4
352.07941	6.6
353.08688	4.0
371.14856	2.0
425.23520	8.1
434.70419	1.6
443.24268	2.1
451.21289	5.9
469.22339	33.5
470.22763	3.0
499.18594	4.1
661.28772	36.4
662.29120	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	661.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.6
58.78679	1.0
59.01380	6.9
60.07674	0.9
61.98834	6.0
65.00331	3.7
67.01884	1.5
69.03460	1.5
69.19012	3.7
69.19415	1.4
71.01372	6.5
73.02917	1.4
80.32226	1.1
81.03387	1.1
83.01392	1.3
83.05028	2.6
85.02948	15.4
87.00858	5.3
89.02438	2.9
93.03456	8.1
95.70252	1.2
96.96011	18.9
101.02461	2.0
106.17402	1.0
107.01426	6.3
109.02934	2.1
111.04517	2.4
113.02434	1.5
125.02458	15.6
127.04028	9.5
133.02989	2.1
134.03749	1.4
135.04591	5.7
136.04958	1.7
137.02486	1.6
139.07654	2.3
146.03755	2.1
151.00368	18.4
152.00682	2.6
154.27179	1.1
155.03494	2.4
159.04472	2.1
161.02438	4.4
161.04639	1.5
165.01981	1.3
165.05656	1.2
167.03618	1.5
167.07190	1.2
172.05324	6.4
173.04538	3.1
175.00365	2.4
177.01987	1.7
179.03516	2.0
185.06065	3.2
187.04024	2.9
187.08246	1.0
191.05612	100.0
192.05945	3.0
199.03998	3.1
200.04585	1.4
213.05617	5.6
214.06403	1.0
227.03503	4.0
254.05687	1.3
257.04639	3.1
269.04492	2.5
283.13379	15.7
285.04117	2.6
287.05585	2.8
288.05948	1.2
289.05884	1.5
297.15015	1.8
301.14383	4.5
315.15976	2.7
325.10779	2.7
325.14349	2.4
326.11325	2.1
327.12323	2.4
337.14328	1.2
341.13867	3.1
386.80841	1.2
389.21161	1.6
407.22400	3.2
425.23264	3.9
451.21280	7.0
467.17233	9.0
469.22314	82.2
470.22733	8.0
488.21027	1.1
499.19556	9.6
517.53442	1.2
533.33435	2.8
563.21478	1.2
601.16083	2.4
617.39105	3.0
623.38458	1.8
625.38098	1.4
629.22650	2.1
661.38739	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	661.286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65829	1.4
59.01381	2.6
61.98830	8.3
67.01891	3.9
69.03448	2.4
71.01382	4.4
80.52428	1.6
85.02940	8.1
85.61481	1.5
87.00877	4.8
93.03458	32.7
95.01382	1.9
96.95991	1.5
99.98073	1.9
101.02452	2.3
108.02140	2.3
109.02916	3.2
111.04507	4.0
121.03004	1.6
124.01637	2.2
125.02454	2.0
127.04018	2.4
132.02188	2.6
133.02942	11.5
134.03745	8.9
135.04520	83.3
136.05249	6.3
137.02420	2.0
150.03236	2.4
151.03949	7.6
155.03513	6.5
160.01695	2.4
161.02417	5.5
173.04564	15.3
177.01933	4.6
178.02600	2.3
179.03473	19.0
180.04306	2.4
191.05608	100.0
192.05931	2.0
215.05592	4.4
252.33057	2.0
308.09006	9.6
351.07156	17.4
352.08008	8.2
353.08578	2.1
425.23114	7.1
443.23923	1.7
451.21255	5.5
469.22263	33.0
470.22409	3.4
498.10565	1.8
661.28638	43.4
662.28833	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	661.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95883	0.6
59.01377	6.0
67.01888	19.3
68.99816	16.3
69.03455	2.6
69.07001	0.7
71.01383	1.8
71.45111	0.7
85.02943	0.7
87.00863	1.7
89.02437	1.6
93.03443	0.7
95.05025	100.0
96.05359	2.2
97.02921	1.2
99.04513	0.8
101.02441	33.6
111.00882	13.1
111.04522	1.0
113.02448	0.7
119.05029	0.8
120.92680	0.7
121.02962	15.4
121.06593	2.3
122.03246	0.9
123.04530	5.0
127.04012	69.0
128.04323	1.4
135.04532	1.5
137.06161	0.7
139.00375	38.8
139.04001	17.6
147.04520	1.7
161.02452	1.2
163.04065	0.7
165.05550	10.5
171.02985	1.3
173.04585	2.0
173.82050	0.6
191.05608	1.6
193.77690	0.6
197.08218	5.3
209.04510	3.8
223.06236	1.8
227.32303	0.6
232.60992	0.7
241.07164	51.2
242.07494	1.9
273.09814	2.3
279.06854	0.7
282.14044	0.7
303.47519	0.7
346.77835	0.7
356.22095	0.8
428.32489	0.8
499.14127	0.9
690.28888	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29811	0.6
59.01379	8.8
61.19484	0.4
67.01890	21.1
68.99814	13.2
69.03456	2.2
71.01376	0.7
73.84185	0.5
75.03046	0.4
81.66047	0.5
95.05028	100.0
96.05346	4.1
96.95999	0.6
99.04536	1.3
101.02445	33.0
102.02789	1.0
109.59515	0.5
111.00880	10.6
111.04522	0.9
112.01711	0.7
115.35851	0.5
119.05031	0.7
121.02961	11.7
123.04528	3.3
125.02493	0.9
127.04015	63.0
128.04384	2.3
129.04489	0.6
129.16473	0.5
137.06042	0.6
139.00378	26.0
139.04016	17.7
139.05104	0.7
140.00671	0.8
141.01715	5.1
145.18283	0.5
147.04564	0.9
149.02434	0.8
153.05611	0.5
165.05562	6.2
171.03021	1.5
179.07120	0.7
191.05705	0.6
197.08183	0.8
209.04567	3.1
220.79370	0.5
223.06140	0.8
227.09349	1.3
241.07178	38.4
242.07550	2.7
273.09796	2.8
301.24103	0.4
369.33395	0.6
389.61307	0.5
451.17590	0.7
669.03119	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95678	2.5
55.16948	2.6
57.72849	2.5
59.01376	67.5
66.91864	3.0
71.01381	40.2
78.95905	40.5
80.96491	8.9
83.01392	5.7
85.02948	11.7
87.00861	12.6
89.02446	53.8
94.98071	5.0
96.95973	3.1
96.97006	2.9
101.02461	28.6
113.02444	19.3
119.03491	19.2
143.03496	5.5
152.99599	23.2
161.04585	13.2
164.98523	3.2
171.00623	10.8
179.05588	24.5
277.21729	100.0
278.22015	6.1
291.23203	6.0
319.22482	4.1
323.09854	34.5
341.10864	54.6
342.11212	3.1
406.53168	2.7
431.22400	2.9
577.26923	21.4
579.26831	6.8
601.32019	15.6
661.27271	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	663.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17511	0.4
58.66603	0.4
59.01378	1.8
61.53616	0.5
67.01887	26.8
68.99810	12.9
69.03457	5.3
70.06629	0.7
70.06966	0.9
71.01350	0.5
73.02941	0.6
87.13802	0.4
89.05122	0.5
89.61293	0.4
93.03435	0.8
95.01424	0.8
95.05022	100.0
96.05360	2.0
98.21934	0.5
99.04514	8.8
101.02440	34.0
102.02802	0.8
109.66154	0.4
111.00875	23.8
111.04492	1.5
112.01705	0.7
119.05042	0.7
121.02948	13.7
122.03297	0.6
123.04523	2.4
127.04009	60.8
128.04381	1.1
133.02950	0.6
135.04482	0.5
137.06076	1.7
138.21074	0.5
139.00374	26.0
139.04002	17.3
140.00731	0.7
140.04300	0.5
147.04527	0.8
149.02419	0.8
150.55240	0.5
152.44469	0.5
153.05560	0.8
161.02443	1.3
165.05579	7.4
169.08707	0.6
171.02994	1.2
181.05058	5.9
191.05621	0.6
209.04594	3.8
213.07684	3.3
223.06180	0.8
241.07162	33.8
242.07535	1.8
270.55066	0.5
273.09723	2.2
365.80612	0.5
381.24866	0.5
663.21295	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	663.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.0
58.00589	1.0
59.01378	100.0
60.01724	0.7
63.52763	0.6
67.01884	1.3
68.99821	0.7
69.36730	2.2
71.01381	53.1
72.99310	1.7
73.02945	7.5
83.00899	0.5
83.01382	0.8
85.02943	8.2
86.77291	0.7
87.00862	2.4
89.02443	89.4
95.01380	2.6
95.05028	4.9
95.65688	0.6
96.05342	0.9
97.02956	0.7
98.22556	1.5
99.00876	11.5
101.02440	35.0
102.02785	0.8
111.00847	0.9
113.01707	1.2
113.02450	18.6
115.03973	0.9
119.03503	17.7
125.02447	2.4
127.04044	3.4
128.04335	0.7
131.03500	10.7
133.02933	1.0
133.05183	0.6
135.04507	0.7
139.00325	0.9
139.03920	0.9
142.16605	0.5
143.03503	5.8
149.04550	46.6
150.04959	0.7
161.02414	3.2
161.04539	6.6
177.01878	1.2
179.05624	12.5
189.12802	0.8
190.13098	0.7
191.05614	9.4
201.61151	0.6
209.43329	0.6
221.06641	5.5
241.07068	1.9
242.07474	0.7
251.07753	6.1
293.08810	3.7
311.09827	9.6
342.67685	0.7
347.97015	0.6
362.75443	0.7
395.71457	0.6
468.49948	0.6
483.22388	3.6
663.20355	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	663.3749
Annotation	Pinfaensin
Peak:m/z	Relative Intensity
53.43492	0.5
59.01152	0.4
59.01386	4.0
70.56239	0.6
71.01382	1.5
73.02966	0.6
75.00867	4.5
85.02956	0.8
89.02435	0.9
96.95992	0.4
100.93366	0.6
101.02457	1.2
111.41245	0.4
113.02448	0.7
115.92053	0.7
116.92819	0.9
135.04558	0.8
159.74614	0.6
161.02367	1.2
173.04478	0.5
175.07457	0.4
191.05635	2.9
233.96170	0.5
248.16495	0.6
291.18625	0.5
296.60123	0.5
327.21423	0.6
336.14636	0.6
365.28613	1.0
381.31238	0.9
405.27933	1.7
409.27319	4.2
421.31091	6.7
425.30756	2.1
437.30417	0.8
439.31970	3.3
455.31784	3.0
457.33188	1.7
483.31082	7.5
484.31265	0.7
501.32211	21.5
502.32202	2.9
525.32178	0.7
583.13080	1.1
663.37506	100.0
664.37793	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	664.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	16.8
61.98817	1.2
70.04657	1.3
78.95901	10.2
85.06590	0.8
113.62082	0.6
122.23814	0.7
146.27852	0.6
152.99602	3.4
165.12808	1.4
168.04301	1.7
181.12360	0.8
186.12717	0.6
199.13399	13.7
200.13710	0.7
224.06885	0.8
242.07996	3.7
275.84360	0.6
279.19632	9.0
347.25812	3.8
365.26941	100.0
366.27307	9.9
366.34445	0.7
519.27594	1.7
580.34296	0.9
590.34607	64.6
591.35052	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	664.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79031	0.2
53.81433	0.2
54.07719	0.2
61.98831	100.0
67.09287	0.2
71.23425	0.3
74.91846	0.2
75.06628	0.2
77.65426	0.2
77.65881	0.2
78.95947	0.2
89.67008	0.2
95.51087	0.2
110.08007	0.2
122.92754	0.3
152.99614	0.3
180.12947	0.2
216.40210	0.2
289.18121	0.2
297.93668	0.2
395.08203	0.3
472.15436	0.3
677.26489	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41074	0.8
59.01382	8.0
67.01860	1.2
67.25884	0.8
67.66601	0.7
69.03435	0.8
69.33292	2.2
69.33680	2.0
70.89690	0.9
71.01378	7.8
73.02946	0.8
74.46744	0.7
75.91649	0.8
85.02940	2.6
87.00854	1.0
89.02463	4.9
93.03469	1.7
96.96004	12.1
98.21822	1.4
101.02434	2.9
109.02927	1.2
113.02431	1.9
119.03456	1.3
119.05016	3.8
125.02473	1.9
127.03992	1.1
132.02130	1.2
133.02953	31.8
134.03702	2.8
135.04523	36.9
149.04558	3.7
149.06061	4.6
161.02437	100.0
162.02760	2.4
163.04004	6.3
165.00105	0.9
165.04031	0.8
173.04462	0.9
177.05602	12.1
179.03485	44.2
189.47620	0.9
191.05612	18.4
192.05896	1.0
195.02998	1.5
203.03548	1.0
221.04543	16.4
251.05600	9.7
281.06647	16.2
282.07101	1.1
311.07593	3.1
323.07666	3.3
341.08737	6.0
351.07068	1.2
353.08600	2.9
354.82193	0.9
383.09695	4.8
413.11005	4.1
443.11771	2.4
485.13141	2.7
503.13846	5.8
637.09241	1.0
665.19354	78.2
666.19543	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	665.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62997	0.8
59.01377	15.2
61.98811	1.0
69.03416	1.0
69.30764	1.4
69.31153	2.3
71.01380	8.2
73.02960	0.8
82.79362	0.9
85.02931	2.0
87.00895	1.1
89.02450	7.6
95.05038	1.4
95.97610	1.0
96.96015	3.7
101.02438	7.0
109.02955	1.1
110.80928	0.7
111.00882	1.0
113.02426	5.2
117.03470	1.7
119.03459	2.0
119.05014	2.3
125.02502	0.9
132.02173	1.4
133.02957	29.7
134.03735	2.5
135.00363	0.9
135.04524	36.5
136.04832	1.0
147.04454	0.9
149.06030	2.8
159.04301	0.9
161.02444	100.0
162.02727	2.2
163.03987	3.3
164.86769	0.7
173.04570	1.0
177.05554	8.7
179.03493	33.7
185.87747	0.8
191.05554	2.1
195.06676	0.9
203.03441	1.5
221.04544	11.5
227.43094	0.8
233.04451	1.4
244.02759	1.8
251.05606	5.5
281.06613	11.3
323.07672	6.7
323.13452	7.4
341.08682	7.6
383.09692	1.8
395.09570	3.1
413.10947	1.2
443.12073	6.0
467.12164	1.0
485.12912	4.1
503.14188	4.8
665.19293	68.2
666.19592	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	665.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24657	0.4
59.01072	0.4
59.01376	7.7
62.36073	0.4
65.11984	0.3
69.03452	0.4
71.01377	15.9
73.02932	0.5
85.02953	0.9
87.00880	0.6
89.02439	6.9
93.03451	0.8
96.96008	1.0
99.00859	1.1
101.02436	3.2
108.10582	0.3
113.02447	1.6
115.00372	7.4
119.03526	1.8
119.05022	41.5
120.05389	1.0
128.37198	0.3
131.03500	0.8
133.01428	9.7
133.02975	0.7
135.04524	1.0
135.77684	0.4
143.03511	0.6
149.04559	2.9
150.03186	0.4
153.05563	0.6
161.02469	2.3
163.04001	100.0
164.04340	2.9
165.01872	0.9
165.05583	1.2
179.03459	1.1
179.05621	0.8
191.05641	0.9
195.06616	1.2
209.46738	0.4
225.07591	0.5
279.05121	6.8
307.08490	1.0
428.83167	0.4
457.13428	1.1
458.41605	0.4
665.30939	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3905
Annotation	Lucyoside R
Peak:m/z	Relative Intensity
51.86948	0.3
55.01868	0.8
57.03423	1.0
59.01378	35.0
61.98807	1.0
66.15157	0.3
70.29903	0.3
71.01381	20.8
71.69175	0.3
72.99307	0.5
73.02946	4.6
75.00882	0.3
83.01385	3.0
85.02950	7.3
86.00117	0.8
86.64239	0.4
87.00880	1.0
89.02442	14.5
93.03456	0.5
94.87975	0.3
95.01385	1.5
96.95965	0.4
97.02935	0.4
99.00888	1.6
99.92622	0.6
101.02441	16.4
105.03465	0.4
111.00888	0.5
113.02438	8.0
116.92856	6.9
119.03496	5.0
125.02415	0.5
127.04037	0.4
131.03568	0.4
133.02957	1.5
135.04510	1.4
143.03453	0.5
148.89972	0.3
149.04562	0.6
155.03479	0.5
159.03008	0.8
161.02437	3.3
161.04529	3.1
173.04497	0.8
177.01891	3.1
178.02260	0.5
179.03476	1.1
179.05556	0.5
191.05591	1.1
242.05923	0.6
285.04044	0.7
323.07480	0.7
358.57132	0.4
427.32001	1.1
439.32263	0.7
459.34848	2.4
485.32669	2.8
503.14978	0.7
503.33722	0.6
621.40070	10.0
622.40295	1.0
665.39063	100.0
666.39337	12.5
672.37408	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
56.99773	0.4
57.03454	0.8
58.00595	0.6
59.01380	50.6
60.01706	0.5
61.98827	4.6
68.99814	0.6
69.03457	0.8
71.01381	24.3
72.99303	0.8
73.02950	2.1
82.95393	0.8
83.01377	2.0
85.02946	6.1
87.00880	1.0
88.98777	0.6
89.02447	21.4
93.03445	0.8
95.01393	2.4
96.96014	2.9
97.02988	0.7
99.00877	1.1
101.02447	16.5
102.49645	0.4
109.02943	0.6
109.83033	0.4
111.00887	0.4
113.02452	8.9
115.00369	0.9
116.92872	1.8
117.22784	0.4
119.03501	8.7
119.04949	0.5
121.02953	0.6
125.02431	0.4
131.03497	0.5
133.02992	1.9
135.04538	2.2
136.01674	0.6
137.02463	0.5
143.03529	0.9
147.04619	0.6
149.04518	0.6
151.03999	0.7
155.03510	2.1
161.02464	4.5
161.04559	1.3
163.04048	0.6
173.04524	1.2
179.03508	1.7
179.05620	1.8
180.03943	0.4
187.83932	0.4
191.05603	3.1
242.05795	0.9
257.08148	1.3
269.04697	0.5
285.03973	1.0
341.10126	1.0
427.32251	0.6
459.34457	0.5
485.32626	5.7
486.33099	0.8
503.15582	1.1
503.33835	0.6
581.16980	0.7
621.39978	2.1
647.27466	0.4
665.39111	100.0
666.22815	0.6
666.39520	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	13.4
61.98819	2.1
71.01377	8.8
71.28515	0.9
73.02941	0.9
82.95419	1.0
85.02953	2.3
88.98781	1.4
89.02446	4.7
93.03441	1.0
95.01376	1.4
96.96004	2.3
97.02956	0.6
101.02428	4.9
103.84370	0.7
107.95154	0.6
108.02164	0.7
109.02937	3.0
111.00847	1.2
113.02451	2.2
116.92896	1.4
117.03463	1.3
119.03491	1.5
121.02938	1.5
123.04521	1.8
132.02144	1.1
133.02956	19.1
134.03740	5.8
135.04527	86.7
136.04846	2.2
137.02431	3.8
138.30356	0.7
147.04446	1.2
148.05246	3.3
149.06076	14.4
150.03221	0.8
151.00328	0.8
155.03496	1.5
158.03679	2.1
159.04475	1.3
160.01721	0.7
161.02443	69.8
162.02785	2.2
163.03975	1.3
173.04562	2.1
175.03979	1.1
177.02016	4.4
177.05574	33.8
178.02718	1.1
179.03491	100.0
180.03827	2.9
189.05533	1.7
191.05641	4.3
203.03542	2.8
205.04869	0.7
221.04549	49.5
222.04959	1.5
233.04559	1.3
251.05598	52.3
252.05962	1.3
280.07333	1.2
281.06653	88.1
282.07007	4.1
285.03995	1.0
292.07343	0.8
295.09662	2.4
311.07697	1.1
323.04306	0.7
323.07651	4.8
326.16895	0.8
341.08752	84.3
342.09064	4.8
575.70642	0.8
637.19330	2.0
649.19366	1.7
666.39844	0.9
667.21204	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	667.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
57.03441	2.9
59.01379	29.4
61.98837	4.7
67.01887	1.8
68.99813	1.0
69.03451	1.8
71.01381	25.1
71.01779	1.4
72.99307	1.1
73.02947	11.7
75.00884	0.9
82.95441	1.5
83.01398	6.0
83.05019	1.4
84.95078	0.8
85.02950	14.9
86.00108	1.4
87.00866	2.5
88.98810	1.6
89.02447	9.0
93.03467	11.6
95.01413	2.0
96.96005	2.7
97.02950	1.7
99.00887	4.7
99.92574	1.6
101.02445	25.9
107.05104	0.7
109.02968	1.6
111.00858	2.3
111.04534	5.9
113.02451	9.1
116.92870	11.3
117.03478	2.3
119.03492	1.0
119.05009	10.6
121.02943	2.3
125.02377	1.1
126.49117	0.8
127.04072	1.3
129.01994	0.8
131.03418	0.8
133.02969	4.0
134.03697	1.1
135.04533	7.6
137.02429	2.9
143.03494	1.2
145.02933	8.4
149.04622	0.9
149.06070	0.8
151.00378	1.2
155.03522	6.8
159.03076	1.3
161.02437	8.6
161.04565	2.8
162.03236	0.8
163.04021	8.6
165.05560	1.5
173.04558	32.9
175.03954	1.2
177.01942	2.8
177.05560	1.9
179.03516	5.2
179.05702	1.0
180.03947	0.7
185.11823	1.8
191.05598	8.7
193.05026	0.8
200.04898	0.7
269.04541	2.4
270.04877	1.0
284.03226	2.3
285.03986	6.3
287.05563	0.8
303.18390	0.9
310.08572	1.0
319.08179	15.3
325.10797	2.3
347.17099	55.4
348.17392	2.4
353.13611	0.8
369.13312	1.7
371.14877	1.8
435.12869	1.9
505.33362	0.9
521.22382	100.0
522.22791	6.3
547.81219	0.8
551.21838	1.6
570.80957	0.8
631.20300	3.3
667.25464	8.2
667.36041	21.1
668.25793	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32055	0.5
55.01868	1.3
57.03452	1.5
59.01111	1.0
59.01384	12.5
61.98828	0.8
64.92020	0.6
67.01897	5.0
69.03454	1.1
71.01383	10.9
73.02950	5.1
81.03445	1.2
83.01411	4.0
83.05037	0.8
85.02947	6.2
85.64758	0.6
87.00878	1.3
89.02458	1.5
93.03457	39.5
94.03796	0.7
98.00294	0.6
99.00907	1.9
101.02442	12.9
104.41934	0.6
109.02934	1.3
111.00870	1.2
111.04531	5.6
113.02438	4.1
116.92876	0.9
117.03464	1.6
119.05005	4.4
127.04023	0.9
133.02986	1.0
135.04539	1.9
136.25720	0.6
137.02446	17.7
145.02943	6.2
155.03499	9.8
159.02908	0.7
161.02438	1.6
161.04631	0.9
161.06134	0.6
163.03990	3.9
173.04547	95.3
173.47029	0.7
174.04875	3.1
179.03474	1.1
185.11847	1.3
189.05568	0.6
191.05576	3.0
221.26199	0.6
269.04520	0.8
283.13510	0.6
284.02982	0.9
319.08185	8.9
341.14276	0.6
347.17123	35.8
348.17441	2.6
371.15012	1.8
441.73169	0.7
521.22400	100.0
522.22754	8.9
667.26117	6.0
667.37427	1.8
668.26398	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55783	1.1
55.01867	1.4
57.03414	1.6
59.01379	25.5
61.98818	4.3
68.99812	2.9
69.03471	1.8
69.13017	7.3
71.01006	1.4
71.01380	17.7
72.99319	1.4
73.02949	6.0
75.43961	1.1
83.01366	2.3
85.02946	13.6
85.68990	1.5
87.00873	3.8
88.98786	5.5
89.02437	7.1
93.03445	4.6
95.01385	2.8
96.96005	4.4
97.02937	1.7
99.00871	3.3
99.92579	1.3
100.10267	1.1
100.20132	1.0
101.02443	15.2
107.71805	1.2
109.02900	2.5
111.00876	3.0
111.04507	2.0
113.02462	6.3
116.92860	17.5
117.03461	2.4
117.92871	2.7
118.66925	1.4
119.03552	1.6
119.05045	6.4
121.02920	1.3
133.02963	7.4
134.03717	1.5
135.04543	9.3
137.02422	3.4
138.82942	1.1
143.03561	1.5
145.02975	6.9
155.03488	6.0
159.04454	2.1
160.05261	3.7
161.02461	14.8
161.04526	2.8
163.03970	4.7
165.05472	1.6
172.05289	24.6
173.04526	9.3
173.05865	2.1
175.03978	1.6
179.03516	6.1
185.06064	8.9
186.06790	1.7
187.04013	4.6
191.05627	7.5
197.06071	3.2
199.03975	4.5
199.07645	2.4
200.04767	6.7
201.05530	3.3
202.06210	1.4
204.04234	1.7
211.07562	1.3
213.05634	1.6
216.04353	1.3
227.03488	22.0
228.04276	10.4
229.04839	1.5
239.07130	1.8
255.14070	2.2
257.15463	2.4
267.13931	1.9
269.04565	2.9
283.13382	87.8
284.03171	1.2
284.13748	4.8
285.03973	4.5
301.14426	24.6
302.14804	1.9
309.14951	14.1
311.12784	11.2
319.08237	2.8
325.14325	3.6
327.12454	48.0
327.16031	8.7
328.12701	3.3
329.13934	7.2
345.13339	16.9
345.17130	5.9
347.17285	6.1
353.13867	10.5
369.13364	6.6
371.14996	100.0
372.15143	4.8
381.76215	1.5
387.14444	11.1
394.14459	1.1
417.15347	2.9
431.17142	1.8
447.16632	10.7
461.18115	5.1
491.19339	15.6
503.21448	6.4
505.33899	2.2
507.18753	12.1
521.22485	1.5
531.18317	2.7
549.19769	32.9
550.20087	2.6
551.21375	17.3
552.21838	2.7
563.21289	1.6
593.14001	1.4
593.22308	37.7
594.22650	3.3
607.24249	2.4
623.23438	14.1
624.23260	1.5
649.37354	1.5
666.38708	1.8
667.25989	41.4
667.37720	21.5
668.27100	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	667.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
57.03441	2.9
59.01379	29.4
61.98837	4.7
67.01887	1.8
68.99813	1.0
69.03451	1.8
71.01381	25.1
71.01779	1.4
72.99307	1.1
73.02947	11.7
75.00884	0.9
82.95441	1.5
83.01398	6.0
83.05019	1.4
84.95078	0.8
85.02950	14.9
86.00108	1.4
87.00866	2.5
88.98810	1.6
89.02447	9.0
93.03467	11.6
95.01413	2.0
96.96005	2.7
97.02950	1.7
99.00887	4.7
99.92574	1.6
101.02445	25.9
107.05104	0.7
109.02968	1.6
111.00858	2.3
111.04534	5.9
113.02451	9.1
116.92870	11.3
117.03478	2.3
119.03492	1.0
119.05009	10.6
121.02943	2.3
125.02377	1.1
126.49117	0.8
127.04072	1.3
129.01994	0.8
131.03418	0.8
133.02969	4.0
134.03697	1.1
135.04533	7.6
137.02429	2.9
143.03494	1.2
145.02933	8.4
149.04622	0.9
149.06070	0.8
151.00378	1.2
155.03522	6.8
159.03076	1.3
161.02437	8.6
161.04565	2.8
162.03236	0.8
163.04021	8.6
165.05560	1.5
173.04558	32.9
175.03954	1.2
177.01942	2.8
177.05560	1.9
179.03516	5.2
179.05702	1.0
180.03947	0.7
185.11823	1.8
191.05598	8.7
193.05026	0.8
200.04898	0.7
269.04541	2.4
270.04877	1.0
284.03226	2.3
285.03986	6.3
287.05563	0.8
303.18390	0.9
310.08572	1.0
319.08179	15.3
325.10797	2.3
347.17099	55.4
348.17392	2.4
353.13611	0.8
369.13312	1.7
371.14877	1.8
435.12869	1.9
505.33362	0.9
521.22382	100.0
522.22791	6.3
547.81219	0.8
551.21838	1.6
570.80957	0.8
631.20300	3.3
667.25464	8.2
667.36041	21.1
668.25793	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43543	0.3
57.03423	0.8
59.01381	8.4
60.61690	0.3
61.98831	2.0
69.03450	0.4
71.01008	0.5
71.01379	7.2
73.02955	2.3
78.91891	0.4
82.92753	0.4
82.95380	0.5
83.01413	0.7
85.02959	2.5
87.00873	0.5
88.98783	0.5
89.02443	3.0
96.96001	0.4
97.02950	0.3
99.00874	1.4
101.02438	3.9
102.40489	0.3
106.04256	0.4
107.05028	0.8
109.02984	0.5
111.00864	0.6
113.02437	1.3
117.03477	0.4
119.03494	0.5
121.02918	0.7
125.02422	0.5
131.03455	0.4
132.02151	0.8
133.02962	13.8
134.03763	9.3
135.04535	39.0
136.04837	1.1
137.02487	2.9
139.03972	0.8
143.03554	0.4
147.48558	0.4
150.06844	0.6
155.03313	0.3
160.01569	0.5
161.02452	33.3
162.02791	1.0
163.04024	0.5
163.07565	0.4
173.04530	0.7
177.01906	0.5
178.02643	1.5
179.03503	23.3
180.03848	0.9
191.05589	0.9
191.46796	0.4
205.04936	0.5
269.04486	0.6
285.03915	1.0
329.13840	0.6
345.17151	0.4
355.19135	1.8
357.20703	3.4
371.14932	0.8
373.20132	2.6
456.12662	1.2
487.29333	3.1
491.19052	0.6
505.32410	0.4
535.25519	11.2
536.25641	1.3
632.60974	0.4
667.29572	100.0
668.18585	0.5
668.29919	10.4
674.58405	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01116	0.8
59.01377	9.4
61.98834	2.6
61.99078	0.5
69.03429	0.6
69.13605	2.5
69.14011	1.2
71.01381	6.7
72.99295	0.5
73.02937	1.8
83.01379	0.8
85.02936	2.7
87.00870	1.4
88.98789	0.8
89.02440	3.0
93.03442	0.8
96.95992	0.6
99.00906	0.7
101.02446	3.3
105.03405	0.7
111.00937	0.6
113.02441	1.3
121.03003	0.6
129.67723	0.6
131.03468	1.4
132.02122	1.0
132.56427	0.5
133.02946	15.7
134.03761	12.3
135.04523	37.4
136.04834	1.1
137.02438	2.8
139.03975	1.3
149.02376	0.6
161.02441	30.4
161.06093	1.4
162.02942	1.1
178.02652	2.4
179.03499	23.1
180.03772	0.9
191.05568	1.2
193.05023	2.1
199.09839	0.9
221.04492	1.1
269.04437	0.8
281.06650	0.6
285.04074	0.9
335.23242	0.5
355.19049	2.0
357.20703	3.3
371.14697	1.3
373.20139	4.9
456.12567	1.1
457.55151	0.5
505.32822	0.6
517.24292	1.1
535.25415	10.6
536.25970	1.0
537.19708	1.5
541.34619	0.8
551.21625	0.6
667.29584	100.0
668.29987	14.4
668.40613	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3253
Annotation	Lycaconitine
Peak:m/z	Relative Intensity
50.33647	3.3
58.54863	3.2
59.01374	3.3
65.46280	3.0
91.99285	3.1
97.11576	3.0
178.14275	3.6
191.05672	4.0
202.78989	3.1
338.16821	3.8
494.96613	3.3
590.03979	3.4
596.57013	3.1
667.32416	100.0
668.32629	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44751	3.2
59.01386	5.3
61.98836	6.7
62.60074	2.7
82.87186	3.7
87.79964	2.7
91.30013	2.6
98.22591	8.3
106.76284	3.1
106.76955	3.6
115.26331	3.0
131.52977	2.8
143.10811	3.3
293.65158	3.1
667.32410	100.0
668.32947	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37263	0.4
55.01883	3.0
57.03442	1.2
59.01379	35.5
61.98812	1.0
64.56929	0.5
68.99820	0.9
69.03465	1.1
69.90291	1.2
71.01379	28.4
72.99300	0.8
73.02944	8.5
74.44353	0.5
75.00874	0.6
83.01390	5.4
85.02951	14.5
87.00871	2.0
89.01921	1.1
89.02445	12.6
93.03464	1.0
95.01399	2.9
96.95989	1.5
97.02951	0.8
99.00872	3.1
101.02441	21.2
110.33253	0.5
111.00872	1.8
113.02442	10.9
116.92838	3.3
117.03515	2.3
119.03512	4.0
119.05013	1.6
123.04540	1.1
129.01949	1.0
133.02951	2.4
135.04544	3.5
145.02977	4.6
155.03494	0.6
159.03011	1.2
161.02440	4.1
161.04562	2.5
162.02847	0.5
163.04015	1.1
172.05304	0.5
173.04553	1.4
173.06004	0.5
179.03520	3.2
187.07648	0.6
191.03827	0.5
191.05563	2.4
223.13426	1.5
251.05614	0.7
255.02876	0.6
269.04556	3.3
270.04834	1.2
279.04892	0.7
283.13364	1.5
285.04053	6.0
295.10367	0.6
307.08261	2.2
309.14981	1.2
327.12424	0.9
327.15927	0.7
329.13910	2.2
343.28510	1.8
353.14096	0.5
371.14984	3.3
397.13113	0.6
473.18326	0.7
505.33768	7.2
506.33884	0.6
649.25269	0.8
655.14972	0.7
667.39105	100.0
668.28101	1.1
668.39459	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	669.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.5
67.01891	21.4
68.99817	26.4
69.03462	3.7
69.46805	2.6
71.01385	2.9
73.02961	0.7
85.02929	0.6
87.13980	0.8
88.98795	0.6
89.02414	2.7
92.99796	0.6
93.03444	0.6
95.01417	1.2
95.05027	100.0
96.05367	1.8
97.02988	1.1
98.22594	1.0
99.04527	1.2
101.02444	48.9
108.49937	0.6
111.00886	20.7
111.01656	1.2
111.04512	2.2
112.01688	1.1
113.02440	0.7
121.02962	20.1
123.04516	5.1
125.02439	2.5
127.04014	61.0
128.04335	1.7
133.02965	1.6
133.06607	1.2
134.32365	0.7
135.04538	2.2
137.06119	1.1
139.00380	52.8
139.04010	28.2
140.04338	1.1
147.04494	1.1
149.02486	1.5
161.02428	6.1
165.05574	10.9
169.12372	0.9
171.02979	2.2
179.03528	2.6
180.00508	0.6
191.05644	2.3
209.04538	5.1
221.04538	0.9
221.83961	0.6
233.06689	0.9
241.07182	46.7
242.07518	2.1
251.05592	1.1
281.06763	1.7
293.08749	4.0
341.08759	1.1
363.87115	0.6
398.69531	0.6
432.44946	0.6
472.52652	0.5
507.17096	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12578	0.2
59.01382	1.8
60.01756	0.2
61.98848	0.5
68.99832	0.3
69.03463	0.2
71.01369	1.0
71.12698	0.2
72.99284	0.2
73.02971	0.4
75.00873	0.4
81.03470	0.5
85.02980	0.5
87.00905	0.2
88.98837	0.5
89.02459	0.6
89.03960	2.5
93.03484	0.3
95.05053	0.4
99.00861	0.3
99.92593	0.3
101.02425	0.8
104.02699	0.4
105.03456	3.3
107.01397	0.3
109.02946	0.4
113.02468	0.4
116.92860	2.2
117.92877	0.7
118.92640	0.4
119.05064	0.2
119.95871	0.2
124.34410	0.2
133.02954	9.8
134.03299	0.2
135.04507	1.1
137.02420	0.3
142.11000	0.2
144.84309	0.2
145.09795	0.4
148.01637	0.2
149.02400	1.0
151.00398	0.3
161.02426	2.7
161.04456	0.2
162.02792	0.2
163.04002	0.2
165.05431	0.2
171.07724	0.3
173.04567	0.3
176.01144	1.0
177.01920	100.0
178.02267	3.2
179.03526	0.9
181.35489	0.2
187.03976	0.2
191.05591	0.8
221.04683	0.3
235.08546	0.4
236.87671	0.2
237.06540	0.3
237.10362	0.5
247.08742	0.6
255.03072	1.2
263.08246	0.3
265.09787	1.2
281.06573	0.2
283.02548	0.9
284.03366	0.3
285.03989	1.6
291.07935	0.9
371.14807	0.3
437.18213	0.8
605.81213	0.2
607.10950	2.1
607.19830	0.3
668.39838	0.3
669.23950	14.8
670.24469	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	669.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	19.1
66.93731	0.3
69.03452	0.7
69.23406	1.5
71.01376	9.1
72.99331	0.4
73.02933	0.5
83.01374	0.8
85.02940	3.0
85.06086	0.6
85.06583	6.7
87.00867	1.1
89.02440	8.5
93.03450	0.6
95.01398	0.8
95.05022	0.4
96.27090	0.3
96.96003	2.0
97.02932	0.8
98.21883	0.7
99.04577	0.3
101.02431	7.3
104.43224	0.2
113.02444	3.8
113.06052	1.6
115.07641	1.2
118.98072	1.1
119.03500	3.6
125.02411	0.3
127.04010	0.5
127.07613	1.1
131.07135	32.6
132.07460	0.6
133.02963	0.6
135.04573	1.6
149.04483	0.3
151.07646	1.8
161.02454	1.5
161.04523	0.6
173.04430	0.3
173.08199	1.3
175.02440	0.5
179.03514	1.1
179.05618	0.9
191.05612	7.3
195.06619	0.8
201.01633	0.8
213.07727	0.4
293.12408	100.0
294.12839	3.2
353.08658	0.7
375.06946	5.5
375.12485	0.6
376.06970	0.3
418.66840	0.3
457.13501	0.4
669.22357	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.4
60.01728	0.6
61.98823	2.0
68.99826	1.3
69.36141	3.5
71.01383	6.4
73.02934	1.3
75.00877	0.7
82.92243	0.6
83.01374	0.8
85.02966	2.4
87.00892	1.1
89.02457	3.3
93.03438	1.7
95.01447	1.1
96.95956	1.4
98.22649	1.0
99.92626	0.9
100.74729	0.7
101.02444	4.2
113.02448	1.2
116.92867	3.6
117.03465	0.7
119.03522	1.8
119.04982	0.7
129.81825	0.6
133.02953	1.8
135.04527	3.2
135.06645	0.9
137.02399	1.4
150.06897	1.3
151.00415	1.0
159.04509	3.2
160.05298	3.8
161.02446	4.1
172.05296	20.3
173.04530	3.0
173.06027	3.0
174.03218	0.8
174.06796	0.9
179.03494	2.2
185.06053	2.9
186.06808	1.8
187.03972	4.3
188.04916	0.8
191.05623	1.5
197.06097	2.1
198.06876	0.8
199.03981	4.1
199.07748	1.1
200.04802	3.5
201.05553	3.4
202.06349	2.0
204.04285	0.9
211.07629	1.2
213.05583	1.0
214.06435	1.4
227.03526	12.4
228.04242	6.5
255.13824	1.9
257.15445	3.3
267.13989	1.3
269.04654	0.8
281.15460	0.8
283.13394	100.0
284.03241	0.7
284.13733	6.6
285.03915	4.0
297.11313	0.8
299.16483	0.7
301.14429	35.6
302.14777	1.9
309.14917	9.6
311.12952	5.4
325.14343	1.4
327.12305	19.9
327.15973	6.1
327.41327	0.7
328.12796	0.8
329.13901	5.6
335.12872	0.9
343.15326	0.8
345.13330	19.1
345.17090	14.3
346.13785	1.5
349.18649	1.8
353.13965	6.5
359.37939	0.8
363.45627	0.7
371.14972	50.1
372.15271	2.7
523.23700	1.8
625.24982	33.9
626.25195	3.3
633.23785	1.0
633.35883	6.0
640.13708	0.9
651.26721	1.0
669.27557	63.5
670.27667	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	669.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
57.03454	0.4
59.01378	6.5
71.01377	3.7
71.27743	0.2
73.02946	0.9
83.01377	0.8
85.02936	1.4
87.00874	0.7
89.02443	1.7
95.43376	0.3
101.02424	1.5
106.04227	0.3
107.05044	0.6
111.00854	0.5
113.02474	0.3
117.03461	0.5
123.68365	0.3
125.02463	0.4
131.03499	1.0
132.02159	0.5
133.02948	11.8
134.03743	10.7
135.04523	37.8
136.04852	0.8
137.02431	1.6
139.04041	0.5
161.02437	30.7
162.02766	0.8
168.84544	0.3
170.96605	0.3
178.02699	1.2
179.03488	22.1
180.03821	0.9
218.90486	0.3
331.23099	0.3
357.20459	0.4
357.69733	0.3
363.92322	0.3
371.14932	0.4
375.21707	4.3
376.21921	0.4
458.14368	1.1
519.25897	0.8
537.27020	11.7
538.27338	1.2
550.37518	0.3
669.31238	100.0
670.31549	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	669.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
59.01388	4.4
62.38202	0.5
69.27258	2.4
71.01380	3.7
73.02934	2.1
83.01363	0.8
85.02948	2.2
89.02458	1.1
99.00880	0.9
101.02433	1.6
113.02441	0.8
116.41167	0.4
117.03432	0.7
126.78444	0.5
132.02196	0.8
133.02966	14.8
134.03746	10.2
135.04529	40.4
136.04845	0.8
137.02466	1.5
139.03955	0.5
157.83429	0.4
161.02446	41.1
162.02776	1.1
178.02644	1.2
179.03500	21.5
180.03755	0.6
225.99924	0.4
331.22900	0.7
333.02005	0.5
357.20740	0.8
375.21777	3.9
519.26099	1.1
537.20148	0.4
537.27045	10.8
538.27515	1.0
559.42175	0.5
669.31262	100.0
670.31647	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	669.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.4
59.01374	10.1
61.98833	7.1
70.47374	2.5
71.01376	7.9
71.25859	1.1
73.02943	4.0
84.63929	1.1
85.02950	5.0
87.00851	2.7
89.02433	2.8
93.03461	1.3
95.92769	1.1
101.02453	6.1
105.03458	1.6
106.45567	1.1
113.02425	1.9
117.03475	1.9
119.03518	1.3
125.02425	1.3
131.03461	1.2
132.02206	1.2
133.02951	30.3
133.03983	1.6
134.03748	20.8
135.04532	67.3
137.02426	4.5
143.75987	1.2
148.05281	3.9
149.04948	1.3
149.06073	7.3
150.06862	51.4
155.03543	1.6
161.02443	74.3
161.09656	1.6
162.02788	1.8
163.07632	11.1
164.08415	8.6
176.08440	1.6
178.02690	6.7
178.09976	3.8
179.03505	44.2
179.10771	19.4
180.03769	1.3
221.04422	1.7
235.06142	3.6
279.23227	1.2
309.14703	1.2
315.12323	1.3
325.23749	2.0
327.15857	2.7
327.21872	5.8
329.13904	3.8
371.14993	8.2
375.21710	5.4
428.29428	1.7
443.31680	1.8
446.30353	12.5
457.13193	1.4
458.14322	18.6
459.14813	2.1
460.31787	2.4
461.32690	15.2
469.29169	1.3
471.30914	1.4
474.04636	1.3
488.31488	3.5
489.31842	2.6
506.32465	4.4
507.33231	39.6
519.25696	1.6
537.27094	17.2
538.27484	1.5
651.26514	2.3
669.30865	100.0
669.38934	91.3
670.30292	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	669.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57039	0.5
57.03440	0.6
59.01378	8.3
61.98816	2.1
66.87525	0.5
69.78564	0.5
70.27807	1.0
71.01383	4.6
73.02950	1.3
83.01381	0.7
85.02953	2.6
87.00852	1.5
89.02428	2.6
95.01385	0.7
97.02939	0.6
98.21937	0.6
101.02442	3.0
106.04218	0.6
109.02901	0.7
109.86461	0.5
113.02446	1.3
117.03465	0.9
121.02954	1.0
131.03497	1.0
132.02144	0.9
133.02959	15.0
134.03754	11.4
135.04523	39.3
136.04839	1.1
137.02448	3.1
139.04010	1.0
147.78505	0.5
148.05269	2.1
150.03148	0.6
150.06845	1.9
151.00317	1.0
159.78824	0.5
161.02440	31.1
162.02751	1.2
163.07648	0.8
164.08432	0.6
178.02670	2.5
179.03487	24.8
179.10738	0.9
180.03798	0.8
187.07518	0.6
191.05583	1.1
211.13301	0.8
235.06076	1.1
285.04065	8.3
329.13843	1.0
371.14999	2.8
375.21722	4.2
458.14355	6.8
506.32327	0.8
507.33612	1.1
519.26184	0.8
537.26996	11.1
538.27631	0.8
633.36469	1.2
651.26849	0.8
669.31055	100.0
670.31720	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	669.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.6
55.22311	0.5
56.83873	0.6
58.43626	0.4
59.01378	7.5
61.98823	2.2
68.99839	0.5
69.03451	0.8
71.01379	6.9
73.02959	2.8
75.00878	0.6
83.01393	1.3
85.02940	3.2
87.00861	1.3
88.44707	0.6
88.98811	1.1
89.02439	2.2
89.04007	0.6
93.03464	1.6
96.96005	1.3
99.00879	0.8
101.02442	6.3
107.05010	2.1
109.02939	0.8
111.00907	0.6
113.02452	2.2
116.92873	1.2
117.03481	1.6
119.05023	1.1
121.02999	0.6
123.04509	0.8
125.02468	0.7
128.64130	0.5
132.02177	0.7
133.02959	18.6
134.03752	7.7
135.04524	100.0
136.04884	2.1
145.02974	0.7
149.02425	0.6
151.00407	0.8
155.03525	1.2
161.02443	48.3
162.02792	1.7
163.03976	0.8
165.05530	0.7
172.05305	1.4
173.04573	1.4
177.01961	1.7
179.03491	58.0
180.03847	1.6
185.46852	0.5
191.05620	3.1
197.02272	0.6
211.13403	2.4
227.03496	1.4
228.04234	0.6
255.02988	1.6
269.04407	1.1
283.02460	0.9
283.13348	4.8
284.03256	0.7
284.13687	1.0
285.03986	2.9
301.14310	1.7
309.15195	0.8
311.12738	0.9
327.12372	3.2
347.16946	1.1
348.17468	1.4
349.17831	1.3
370.43912	0.6
371.15018	7.5
372.15475	0.7
397.13849	1.1
415.14612	1.2
471.31009	4.0
521.22217	0.9
522.22888	1.0
523.22937	3.4
555.99994	0.8
579.40161	0.6
607.11206	1.8
609.30603	1.1
625.25275	3.7
633.35693	1.4
650.89368	0.7
669.31281	82.3
670.31628	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	669.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	3.7
63.02406	0.7
63.99249	0.5
65.00334	0.8
67.74091	0.5
70.54347	0.5
79.63304	0.5
83.01427	0.6
103.23444	0.5
105.82847	0.5
107.01376	2.3
117.03484	1.3
145.50146	0.5
149.02428	1.4
151.00374	3.5
172.05316	0.7
195.04700	0.5
196.05362	0.6
199.04005	0.8
200.04736	1.1
211.04051	1.1
239.03459	3.1
240.04271	4.2
267.03009	1.7
268.03760	100.0
269.04471	22.0
270.04794	0.8
283.06128	1.1
311.05551	1.6
551.12323	0.6
669.32745	71.3
670.33069	7.6
693.65485	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.6
56.37113	0.5
57.03448	2.3
59.01381	20.6
60.63740	0.4
66.27946	0.4
66.33518	0.4
69.03447	0.7
69.13081	2.2
69.13478	0.8
70.73943	0.5
71.01384	26.4
72.99321	1.0
73.02554	0.9
73.02949	14.1
75.00881	1.0
81.03452	0.4
83.01382	4.7
85.02949	14.0
86.00105	0.8
87.00875	2.3
89.02445	8.5
95.01380	1.8
97.02934	1.0
98.22613	1.0
99.00884	5.3
101.02449	26.6
102.02756	0.5
111.00884	2.1
113.02453	10.3
115.03996	0.9
119.03523	0.8
125.02456	1.6
129.01952	1.2
131.03452	1.2
138.97308	0.5
141.01866	0.4
143.03497	1.3
158.13901	0.4
159.02974	2.9
161.04547	5.0
219.08743	0.4
223.00763	0.4
233.06636	0.5
283.80576	0.5
375.23627	2.8
399.75400	0.5
431.06683	0.6
507.28183	1.1
537.29236	15.1
669.33392	100.0
670.33691	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	669.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.5
55.05755	0.4
56.45869	0.5
57.03432	1.8
59.01377	23.8
68.99804	0.5
69.03440	1.4
71.01379	30.4
72.99295	0.6
73.02943	15.5
75.00871	0.7
81.03439	0.5
83.01380	5.8
85.02949	15.4
85.44736	0.5
86.00075	1.3
87.00881	2.6
89.02442	9.2
93.03457	0.6
95.01373	2.6
95.05009	1.0
97.02943	2.6
99.00873	6.9
99.04427	0.5
101.02441	26.1
107.49876	0.4
109.02924	1.5
111.00880	2.7
113.01701	0.9
113.02448	12.8
115.03978	1.4
116.92811	0.5
119.03470	1.2
121.02973	0.5
122.02484	0.7
125.02402	1.6
129.01950	1.2
131.03467	1.4
133.01382	0.7
135.04510	0.8
143.03496	1.1
149.04541	0.9
153.01962	2.2
153.05530	0.5
159.02963	1.9
161.02518	2.3
161.04552	5.4
165.05615	0.7
173.04550	0.5
179.03560	1.1
179.05362	0.5
191.05626	2.6
193.04922	0.5
195.06703	0.7
217.35248	0.5
231.06633	1.3
233.06644	0.9
293.08560	0.5
297.06152	0.8
337.09030	0.5
375.23987	2.8
432.66476	0.6
507.15015	5.2
507.27911	1.0
537.29138	15.7
538.29797	0.5
638.66479	0.5
669.33374	100.0
670.33594	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	669.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95394	0.7
57.03439	1.0
59.01381	20.6
61.98819	3.0
63.00458	0.9
71.01383	10.3
73.02942	3.2
80.91658	0.8
83.01389	1.4
85.02932	4.5
87.00887	2.2
88.98772	1.5
89.02437	9.1
89.31329	0.9
95.05068	1.0
101.02444	7.2
105.03490	1.1
109.02946	1.1
109.57456	0.8
113.02434	3.3
116.92790	1.1
118.01693	0.9
119.03511	2.8
121.02915	1.3
123.04556	1.0
125.02402	0.8
132.02167	1.8
133.02965	11.8
134.03757	14.5
135.04536	13.2
135.05516	1.4
135.06715	0.9
135.08186	0.8
136.04866	1.8
137.02461	5.9
139.04024	2.0
148.05289	4.9
149.02321	1.0
149.06023	1.9
150.03195	1.1
150.06863	7.3
160.01685	1.2
161.02438	11.5
162.02946	1.4
163.07649	1.8
173.04611	1.0
177.01971	1.8
177.05591	1.2
178.02687	5.6
179.03502	13.9
179.05209	0.9
179.05702	0.7
179.10808	1.9
180.03748	1.0
191.05655	2.1
191.07242	1.1
197.02231	4.8
211.13396	1.7
221.04520	1.0
235.05997	4.1
265.07162	1.0
269.04587	1.0
281.06494	1.2
285.03998	1.3
297.09787	1.4
307.34259	0.9
314.10800	0.9
327.15894	1.4
327.21780	1.5
329.13873	5.3
353.13882	1.1
371.15060	7.8
390.25781	1.3
391.26221	1.4
407.29657	1.5
427.32336	1.0
429.29932	1.7
447.83945	1.0
448.95990	0.8
453.30118	37.0
454.30377	2.6
457.13461	1.3
458.14261	24.3
459.15027	2.0
471.31149	100.0
472.31433	10.5
489.31650	2.1
506.31790	1.4
507.34128	5.6
651.26373	2.0
669.28290	9.1
669.38928	32.4
670.27771	1.3
670.41376	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	669.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.8
59.01379	17.6
61.98824	5.8
71.01380	12.9
71.05012	1.1
72.99299	1.2
73.02940	4.6
83.01382	2.1
85.02948	6.9
87.00880	1.4
88.98817	1.8
89.02441	6.7
95.01382	1.6
99.00872	1.1
100.32204	0.9
101.02441	10.7
109.02994	1.6
111.00833	1.3
113.02430	5.3
119.03540	1.7
126.01195	1.0
133.02933	6.6
134.03760	5.4
135.04520	6.7
137.02461	2.6
142.29829	1.1
148.05290	2.4
149.02377	1.1
149.04527	1.0
153.01988	2.4
158.71965	0.9
159.02986	1.3
160.01569	1.7
161.02458	8.3
165.34035	0.9
172.05284	1.2
173.04559	2.2
178.02679	2.5
179.03531	7.5
188.70683	1.0
191.05515	1.9
197.02243	6.9
206.80186	1.0
255.03165	1.2
269.04474	1.7
269.41888	1.2
281.06555	1.4
285.03915	3.2
309.14984	1.8
327.16251	1.3
329.13797	3.9
343.15439	1.3
371.14993	10.0
377.28348	1.6
407.29321	2.5
446.18765	2.1
453.30154	9.3
458.14487	7.3
471.31152	100.0
472.31436	9.2
507.15366	2.0
507.35022	3.9
633.22412	1.3
651.25952	1.3
669.29596	2.9
669.42236	35.0
670.42383	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3859
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
57.03444	1.4
58.12447	0.4
59.01370	2.5
61.98829	1.9
69.03450	0.4
69.57011	1.5
71.01389	1.8
73.02953	0.7
77.24390	0.4
85.02938	1.1
87.00892	1.0
89.02457	1.1
98.22674	0.4
101.02443	0.9
107.41317	0.3
111.04544	0.4
111.08186	0.5
113.02448	0.4
133.02943	3.5
134.03764	2.5
135.04529	7.2
135.08194	0.8
136.05237	0.5
137.02481	0.5
137.06116	0.5
149.06088	7.1
150.06866	44.3
151.07486	1.4
152.28886	0.4
153.09235	0.6
155.10832	0.5
157.08716	1.0
161.02454	5.7
161.09679	0.8
162.02777	0.5
162.06895	1.1
163.07654	9.8
164.08426	6.8
171.10258	0.5
176.08412	1.8
177.09235	0.8
178.10019	3.1
179.03529	4.3
179.10774	14.9
201.21268	0.4
221.04639	0.5
250.75421	0.4
263.20032	0.4
279.23254	0.7
281.21225	0.8
325.23819	1.4
327.16129	0.6
327.21829	5.1
371.14938	0.9
375.21811	1.4
415.29034	0.6
428.29520	1.0
430.30695	0.5
443.31863	1.1
444.32407	0.6
445.33124	0.7
446.30301	10.4
447.30838	0.8
458.14017	1.9
459.14478	0.5
460.32135	1.6
461.32697	12.3
462.33203	1.2
488.31375	2.1
489.32318	2.7
506.32413	3.3
507.33255	31.1
508.33792	2.4
519.83063	0.4
537.27448	1.5
669.38959	100.0
670.39453	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	669.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.0
57.03448	2.7
59.01377	32.6
61.98841	0.6
69.03450	0.8
71.01379	25.9
72.99298	0.3
73.02944	7.8
75.00860	0.4
83.01389	4.6
85.02944	13.5
85.03468	0.7
87.00872	1.3
89.02442	10.2
93.03483	0.5
95.01393	2.6
96.36228	0.3
97.02911	0.5
98.22626	1.2
99.00894	2.2
101.02441	17.5
102.02715	0.3
102.98554	0.4
109.36077	0.3
111.00873	2.0
113.02452	10.2
114.52521	0.3
116.92826	0.8
119.03504	2.9
125.02438	0.4
129.01926	0.6
133.02933	1.1
134.03693	0.3
135.04527	2.9
143.03522	0.9
149.04503	0.3
159.02959	1.2
161.02464	2.5
161.04556	2.0
172.05377	0.4
173.04524	0.3
179.03482	1.3
179.05623	0.6
191.05542	0.6
225.77986	0.3
283.13351	1.0
285.04025	0.7
299.25742	0.5
301.14349	0.6
309.14984	0.7
327.15982	0.6
329.13852	1.2
345.30002	1.8
353.13757	0.6
371.14774	1.4
399.84851	0.4
471.31232	2.5
507.35449	7.5
507.65335	0.3
508.35867	0.7
609.28119	0.4
625.23859	0.5
651.26611	1.8
669.40656	100.0
670.31531	0.4
670.40967	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	669.407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.0
57.03451	2.7
58.00589	0.5
59.01379	34.7
59.55058	0.3
60.01705	0.4
61.98818	0.6
69.03458	0.5
71.01382	30.0
72.01718	0.3
72.99308	0.7
73.02947	9.4
75.00883	0.6
77.83197	0.3
83.01387	5.6
85.02950	14.7
85.03466	0.7
86.00103	0.4
87.00887	2.4
89.02441	10.3
90.02776	0.4
93.03459	0.8
95.01400	3.0
96.96028	0.5
97.02946	0.6
98.22667	0.8
99.00876	3.6
101.02445	23.3
102.02779	0.4
111.00868	2.3
113.02449	11.7
114.02757	0.5
117.03455	0.7
119.03515	3.5
125.02445	0.7
129.01950	0.9
131.03542	0.7
132.02197	0.9
133.02960	14.2
133.03992	0.7
134.03705	1.2
135.04526	13.4
141.01978	0.6
143.03517	0.8
145.02922	0.3
149.04533	0.6
159.03006	1.5
160.01639	0.4
161.02448	41.8
161.04372	2.8
162.02792	1.7
179.03488	9.4
179.05211	0.6
179.05754	0.5
191.05650	0.4
195.85710	0.4
211.13867	0.3
283.02304	0.3
285.04068	0.5
299.25900	0.4
345.29944	1.7
371.14999	0.6
507.35333	6.8
508.35815	0.9
524.96619	0.4
537.27234	0.4
633.36035	0.5
669.30872	25.2
669.40771	100.0
670.31213	4.1
670.41071	13.9
696.63837	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83151	0.3
59.01386	0.6
61.37219	0.3
61.98830	100.0
71.01409	0.5
71.46234	0.4
89.02457	0.6
101.02431	0.3
119.03582	0.3
135.04564	1.2
137.02477	0.3
161.02394	0.5
173.04623	0.4
174.80103	0.3
191.05667	0.5
241.09793	0.7
256.12433	0.4
276.45270	0.4
303.88699	0.4
315.13687	0.6
401.50848	0.4
476.10690	0.7
627.41559	0.8
661.50342	0.4
669.39307	0.4
695.64661	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75867	2.0
59.01384	14.5
61.98827	10.8
68.99825	3.3
71.01374	7.6
72.99349	2.3
73.02930	4.2
75.00867	3.8
85.02921	3.6
89.02442	6.9
91.52691	2.3
94.06631	6.6
101.02450	12.2
101.03007	1.9
106.06653	3.4
107.03773	16.0
113.02460	4.2
117.81165	2.0
122.06123	72.9
130.57675	2.5
133.02940	3.4
134.06094	8.9
135.04526	2.6
150.05714	2.2
150.06816	10.4
151.00417	3.1
152.07164	96.1
153.07507	2.4
155.03531	4.4
161.02390	3.4
163.07674	2.8
179.03452	3.2
179.05656	3.1
186.05542	2.5
191.05544	3.3
209.11819	6.8
225.11346	2.6
235.08707	4.6
237.10237	6.5
249.10411	3.9
250.07462	9.2
263.08344	8.8
265.09778	19.5
277.09769	12.3
278.06900	12.8
279.07428	2.3
291.07703	7.4
293.09326	85.6
294.09732	5.2
305.09290	31.6
306.10007	5.4
325.11914	2.9
337.08231	4.8
350.84140	2.2
354.12421	2.3
355.12973	5.0
376.26038	2.7
391.28604	5.0
395.66251	2.1
398.15311	10.1
410.15106	3.9
417.29990	3.2
428.16135	4.2
429.16943	4.7
430.17795	17.8
433.29715	5.8
457.16418	3.6
458.17233	41.0
459.17383	2.9
474.16760	5.6
484.15314	3.9
489.18784	2.8
490.19681	8.5
491.33447	4.0
502.16180	86.3
503.16351	8.5
504.21130	5.8
505.21725	3.1
516.17700	3.3
517.11407	4.1
517.18524	33.5
534.18817	26.0
548.20129	2.6
549.21234	12.5
563.22931	27.4
595.25879	10.5
596.26184	2.7
607.22241	9.1
613.35748	3.0
625.39569	3.3
627.28278	5.6
629.35400	2.9
639.24634	100.0
640.24738	11.7
653.21564	3.3
671.26947	26.4
671.40009	36.6
672.27209	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01117	0.5
59.01365	2.5
61.98830	13.9
62.76183	0.5
71.01369	0.8
71.19652	0.6
78.80391	0.5
82.95403	0.9
85.02943	0.4
85.84454	0.4
89.02441	0.5
101.02410	0.7
122.06107	1.0
125.53215	0.4
133.02951	0.6
135.04494	0.7
137.02434	0.6
143.70381	0.4
151.00345	0.8
152.07166	3.2
161.49022	0.5
190.05077	1.9
191.05536	1.0
198.09209	2.2
209.11902	0.8
212.05899	0.6
223.08788	0.9
226.07489	1.6
228.09003	2.8
239.11882	12.8
241.09816	70.0
242.10167	3.0
243.11363	1.2
255.11301	1.4
255.36879	0.4
256.12158	40.6
257.12396	2.3
269.04715	0.4
277.93784	0.6
300.07953	0.9
300.11124	8.3
300.14230	0.7
301.11545	0.5
315.13495	100.0
316.13791	6.2
321.59921	0.5
330.16043	1.4
337.07391	0.5
355.13010	7.4
356.13657	1.0
380.05151	0.5
398.14856	0.8
438.92615	0.5
471.34650	0.6
472.34857	0.6
481.18082	0.6
509.35172	1.0
521.22589	0.5
563.23346	1.0
595.25568	2.9
639.24060	0.5
671.23328	3.2
671.40247	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	671.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	60.2
61.98834	100.0
67.69228	17.9
69.58334	19.6
69.58669	71.8
79.53671	17.3
89.02440	21.6
89.90167	17.1
98.22598	35.5
108.67513	18.0
137.02426	45.2
139.04041	16.8
173.04530	17.6
179.80914	20.9
191.05629	26.4
201.07460	19.8
225.11382	22.3
248.21960	21.0
273.46552	18.1
301.07288	24.0
301.34985	21.3
447.34586	26.1
466.69626	21.4
471.27417	49.5
509.34879	88.4
671.34052	90.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.3
58.04036	1.0
59.01374	24.6
61.98828	7.9
62.59346	1.1
67.92000	1.0
71.01366	9.7
73.02940	9.1
82.95403	1.2
83.01384	1.4
85.02950	4.9
88.98795	1.7
89.02445	5.9
93.03439	1.3
95.01367	2.2
99.00862	1.2
101.02447	9.2
113.02454	4.2
119.03484	2.0
121.02958	1.3
123.04528	1.4
125.02447	1.3
133.02960	2.9
133.41409	1.3
134.03766	2.2
135.04538	5.7
135.62836	1.0
137.02434	3.3
147.35982	1.3
149.06107	1.5
150.06874	16.3
151.00394	2.4
153.05693	1.2
155.03491	2.1
161.02408	5.8
161.04527	1.1
163.07666	5.3
164.08424	2.0
165.05507	1.3
173.04585	1.7
178.10153	1.2
179.03513	3.6
179.10757	8.5
191.05655	3.4
194.00963	1.1
209.11844	2.1
251.12747	1.6
269.04526	2.0
285.04053	4.0
333.87247	1.1
354.35312	1.1
371.14908	1.5
420.28824	3.5
434.30353	2.8
435.31070	12.3
447.34763	1.5
449.32684	2.7
453.73297	1.1
459.14783	1.3
460.14810	1.9
471.31186	1.6
509.34824	5.3
518.49786	1.1
610.87762	1.1
611.37720	5.5
635.36475	4.1
639.24219	1.2
653.27771	1.3
671.40314	100.0
672.40649	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99979	0.4
57.03437	0.7
59.01366	0.9
71.01377	0.6
77.35359	0.3
85.02952	1.1
87.00870	0.4
92.16666	0.3
93.13422	0.3
111.69528	0.3
127.11275	0.5
135.08165	0.7
136.05286	0.5
137.09729	0.6
149.06100	4.7
150.06868	38.4
151.07481	1.2
155.10754	0.7
161.09689	0.7
163.07648	10.0
164.08426	4.8
171.10252	0.4
176.08372	1.8
177.09193	0.7
178.10007	2.7
179.10767	11.6
180.11156	0.5
193.08574	0.3
265.21671	0.5
293.51407	0.3
327.25372	0.9
329.23322	4.4
430.30746	1.4
431.31052	0.4
445.32974	0.6
447.14566	0.4
447.34378	0.4
448.31989	7.5
449.32004	0.8
462.33371	1.4
463.34302	10.5
464.34637	1.0
490.33057	1.3
491.33640	2.5
508.34140	3.4
509.34814	27.0
510.35114	3.1
552.86389	0.4
671.40094	100.0
672.40479	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4013
Annotation	Guineamide D
Peak:m/z	Relative Intensity
57.03445	0.9
59.01380	32.6
61.98835	6.3
63.10781	0.8
71.01382	12.0
71.46236	0.8
73.02952	6.8
78.75882	0.7
83.01382	2.2
83.05016	1.0
85.02953	5.9
87.00887	1.2
88.98805	1.6
89.02438	5.4
89.70243	0.9
91.54708	0.7
93.03469	1.8
95.01371	1.1
97.02955	0.9
99.00858	1.7
101.02446	8.4
113.01792	0.7
113.02436	4.6
115.67414	0.8
116.92876	0.8
119.03515	2.6
122.92709	0.8
133.02974	2.3
134.03859	1.0
135.04535	2.9
137.02472	2.8
149.04597	0.9
149.06061	1.1
150.06874	10.8
151.07584	0.9
161.02422	4.5
163.07674	2.5
164.08353	0.9
171.82664	0.8
173.04576	1.2
179.03471	2.6
179.10825	5.2
191.05624	3.5
209.11787	1.6
269.04449	2.2
284.03210	1.1
285.03998	4.7
325.42450	0.9
329.14069	1.0
371.14865	1.3
420.28641	1.9
435.31256	6.3
447.34607	1.8
449.32925	1.9
460.14761	1.3
464.00500	0.8
471.31107	1.5
473.27502	0.9
491.34262	0.9
509.34766	5.8
510.35526	1.2
609.39862	2.2
611.38129	6.4
635.36774	2.1
671.40228	100.0
672.40643	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	672.121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.4
63.02387	0.8
68.56736	0.7
69.08302	3.3
69.08711	1.6
69.55741	0.7
71.01366	1.6
83.01435	0.8
85.02948	1.0
85.19714	0.7
88.98824	0.8
93.03456	0.9
94.73812	0.7
101.02412	1.3
107.01382	0.9
109.02937	0.9
121.02930	1.2
123.86452	0.8
132.02193	1.1
133.02966	12.6
135.04529	8.5
149.02399	1.9
151.00452	4.1
161.02455	22.2
162.02795	1.1
173.04608	0.9
175.04022	3.4
177.05579	1.4
179.03522	5.9
190.34212	0.8
191.05653	1.5
199.03964	2.7
217.05066	1.2
219.02831	0.7
241.05104	1.0
284.03290	4.9
285.04050	100.0
286.04367	3.5
300.55270	0.8
301.07376	0.9
323.07629	2.1
351.98773	0.8
381.84412	0.9
447.09293	0.9
500.20779	0.9
609.12494	74.4
610.12787	5.9
637.92377	1.0
672.23511	1.0
673.22711	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.36
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.0
57.03453	2.0
59.01381	18.0
61.98835	7.0
69.03448	1.0
69.69260	0.8
69.69621	2.3
71.01384	28.6
73.02953	11.9
80.05072	0.8
83.01388	3.0
85.02956	11.6
87.00867	1.2
89.02435	6.5
95.01387	2.5
97.02959	1.7
98.22645	1.1
99.00881	3.4
101.02447	23.3
107.03717	0.7
113.02454	12.4
119.03489	2.0
122.06121	4.5
125.02407	1.6
131.03525	0.8
133.02994	1.6
134.03806	0.8
134.06149	0.7
135.04555	5.1
136.04863	2.6
143.03517	1.8
147.86465	0.7
149.05998	0.9
150.06912	4.6
151.00385	0.7
151.07237	0.7
152.07181	5.7
159.02989	1.9
161.02483	6.1
161.04552	11.9
162.02792	1.4
163.07697	1.1
171.92868	0.7
179.03476	2.4
179.10797	1.3
180.03780	1.6
180.06712	0.6
188.07076	0.7
191.05641	1.7
209.11946	0.9
210.42772	0.6
213.10300	1.1
233.06566	0.8
239.11897	1.2
259.72147	0.7
267.94812	0.7
279.07962	1.3
281.81207	0.8
285.04022	1.1
285.12399	3.2
293.09396	1.9
293.12994	0.7
295.11078	1.1
337.08359	1.2
358.15656	1.8
376.31412	0.8
400.16650	1.8
435.31082	1.4
436.31451	1.5
463.33359	0.7
467.30124	6.4
474.20212	0.8
504.17786	2.1
509.34732	0.9
510.35266	1.0
518.19312	2.1
540.27960	1.2
550.21893	3.7
565.24634	5.6
597.26208	1.0
609.23254	2.9
629.35406	100.0
630.35754	8.6
641.26166	9.2
671.40784	1.3
672.31934	17.0
672.40796	12.4
673.31042	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52604	0.4
59.01377	4.0
61.98815	0.5
65.83088	0.5
69.03466	1.3
71.01378	2.3
72.99312	1.8
79.95736	8.3
80.96519	0.9
85.02964	0.7
89.02460	1.9
93.03461	6.7
95.05006	0.6
96.96026	2.7
101.02451	1.5
107.05035	2.3
110.97601	0.7
119.05034	100.0
120.05368	2.9
121.02959	4.7
122.43883	0.6
133.02994	1.1
134.03757	0.6
135.04536	25.4
136.04832	0.8
137.02467	2.0
147.04457	0.5
151.04044	0.6
153.05588	2.0
161.02505	2.8
163.04013	16.4
165.01947	7.6
173.04590	1.3
179.03491	4.1
179.97717	0.5
181.05083	33.2
182.05399	0.8
191.05606	1.4
199.00710	38.2
200.01057	1.2
207.49225	0.5
215.00201	23.0
215.58742	0.5
242.99702	8.6
261.00705	1.5
280.93372	0.4
285.04355	0.7
285.07495	1.0
301.07138	0.5
324.25024	0.5
329.06808	3.0
361.09100	3.0
409.02325	7.8
427.03329	6.4
441.04797	1.0
479.06390	1.4
511.09195	0.9
590.49719	0.5
593.18585	1.0
619.28033	0.5
637.17969	0.7
673.14435	51.7
673.24658	1.8
674.14832	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	673.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83068	0.7
59.01373	4.3
69.03443	1.6
69.24052	4.3
71.01376	2.8
72.99309	1.9
73.02968	0.9
79.95732	8.5
89.02406	1.6
93.03454	6.9
96.96007	4.1
101.02428	2.1
102.00330	0.7
106.37946	0.8
107.05025	3.1
119.05021	100.0
120.05379	2.1
121.02930	5.7
133.02969	2.4
134.03720	1.0
135.04526	29.3
137.02457	2.5
148.01601	1.3
150.03137	1.0
151.04005	1.0
153.05586	3.0
161.02426	6.6
163.03998	13.3
165.01917	8.5
173.04597	1.8
179.03497	5.7
181.05058	39.0
191.05655	2.4
195.06474	1.1
199.00696	42.3
215.00192	22.5
215.02303	1.1
242.99667	9.5
261.00763	1.0
329.06763	3.9
348.92596	0.7
353.08755	1.6
361.09457	2.8
409.02350	7.7
427.03461	5.3
479.06561	0.9
544.83398	0.8
593.18402	1.1
630.62854	0.7
657.16290	0.8
673.14325	53.7
673.26355	3.0
674.14795	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	673.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12468	0.4
56.21759	0.5
57.57380	0.5
59.01374	2.5
65.27413	0.6
69.42316	1.3
71.01379	2.6
73.02939	0.8
85.02947	2.0
89.02441	0.8
93.03449	0.6
96.95977	0.8
96.99320	0.5
97.02963	0.7
101.02448	1.9
107.01357	0.7
108.02184	1.4
109.02956	30.5
110.03336	0.6
111.00919	0.6
113.02431	1.3
121.02935	0.9
122.02460	0.5
122.03744	2.5
123.04530	0.9
124.25765	0.5
125.02426	1.0
133.02936	1.8
135.00905	0.6
135.04539	2.6
136.01588	0.6
137.02299	0.5
150.03220	15.4
151.04013	4.3
152.01167	1.3
153.01936	56.6
154.02287	1.4
161.02493	2.9
163.03999	1.4
164.07092	0.7
165.05566	17.9
167.03572	0.9
177.01874	0.8
179.03450	1.4
180.04178	0.7
182.06219	0.5
191.05609	6.3
192.05931	0.5
195.02994	1.6
225.03925	0.5
237.03978	1.2
244.02808	1.0
297.06149	30.5
298.06372	0.9
353.08701	0.7
475.14462	1.6
511.14557	100.0
512.14832	6.1
637.20233	0.9
648.98395	0.6
649.09412	0.5
673.19653	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	673.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73535	0.2
59.01376	1.4
61.98832	0.5
63.02113	0.2
63.02411	0.6
65.00330	0.8
71.01366	0.4
71.41103	0.2
73.02939	0.4
83.01376	0.6
85.02940	0.2
89.02473	0.3
101.02477	0.3
105.03451	0.4
107.01374	1.3
109.02957	0.6
109.68990	0.2
121.02905	0.5
132.02173	0.2
133.02953	4.6
135.04532	0.3
139.11258	0.2
149.02422	1.7
151.00365	4.1
161.02454	0.6
171.04568	0.3
175.04019	1.8
177.01930	0.3
183.10269	0.6
185.06067	0.3
199.04022	1.9
201.01906	0.6
207.10202	0.3
209.11861	0.7
213.05592	0.6
215.03513	0.4
217.05031	1.2
225.11360	0.5
229.05042	0.2
239.03519	0.3
241.05046	0.8
243.03000	0.5
255.03062	0.3
256.03775	0.4
257.04507	0.4
267.02975	0.4
269.04510	0.2
283.02444	0.3
284.03253	5.0
285.04028	100.0
286.04352	4.9
287.05774	0.2
304.05750	0.5
334.66174	0.2
350.19119	0.2
387.16611	0.3
597.23419	0.3
613.19342	2.6
637.37891	1.0
655.20245	1.8
656.20245	0.3
673.21326	32.8
674.21533	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	673.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	23.5
61.98830	11.7
68.99814	1.5
71.01382	7.8
73.02956	2.8
85.02961	2.8
87.00909	1.5
89.02456	4.6
93.03468	2.0
94.06625	6.1
95.01401	1.4
96.28321	1.2
96.95986	2.2
101.02449	7.5
102.59837	1.4
107.03777	23.5
113.02452	2.9
116.92912	1.4
119.03522	2.4
120.04570	2.4
122.02471	2.6
122.06129	77.8
123.04561	1.8
123.06489	1.2
124.03999	1.4
124.07715	1.5
125.02426	3.1
133.01357	1.3
133.02982	2.3
134.03745	2.6
134.06102	7.2
135.04526	5.2
136.04044	4.1
137.02415	1.7
139.02757	2.1
150.05606	3.0
150.06764	2.1
151.00374	2.7
152.07178	100.0
153.07550	1.7
153.43251	1.0
155.03596	1.6
156.50766	1.2
161.02437	6.3
164.08403	1.7
165.05597	1.5
168.06700	1.7
173.04489	1.5
178.02705	1.2
179.03548	3.8
179.10716	1.8
191.05655	4.0
209.11844	6.3
217.92035	1.1
227.12883	1.4
235.08809	1.4
236.09377	1.1
242.24303	1.0
247.08768	1.2
248.17912	1.4
261.87018	1.2
263.08325	1.4
265.09915	1.3
269.04541	2.6
277.09805	3.1
278.10883	1.7
284.03329	1.6
285.04007	10.9
328.11270	1.5
342.12512	1.5
344.14029	1.5
356.10272	2.4
357.10959	1.3
358.11819	3.0
370.11963	2.2
372.13510	3.3
373.14105	1.5
382.11789	1.3
384.13702	2.8
386.11328	3.3
386.15695	5.7
398.11282	3.0
399.12430	1.4
400.12726	1.5
401.13629	3.0
402.14526	5.9
404.16272	5.4
406.18155	1.4
414.14728	7.1
417.13184	5.4
426.14859	2.6
430.13998	2.6
431.14944	1.5
431.25980	1.4
432.15631	33.5
433.15817	3.5
444.15976	10.1
446.17056	1.6
463.17584	2.0
464.18140	6.7
467.16998	1.9
473.29642	1.5
510.35690	3.0
511.15897	1.7
511.36200	4.2
553.24353	3.7
556.23389	1.7
569.24365	6.4
570.23785	1.4
597.23566	85.7
598.23901	13.7
612.81494	1.3
629.26196	56.5
630.26587	9.1
637.37897	4.9
641.22485	51.7
642.22620	7.2
655.25256	4.5
673.25024	60.7
673.41577	25.9
674.25299	11.1
674.76483	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59093	1.4
59.01380	11.3
59.14845	1.4
61.98819	5.4
63.66283	1.2
71.01376	4.9
73.02957	1.5
80.05054	8.4
85.02971	1.4
89.02439	4.1
94.06624	3.8
101.02443	3.4
104.05085	3.8
106.06616	3.5
107.03778	10.1
113.02454	1.5
120.04563	2.4
120.08210	1.5
122.02430	1.9
122.06120	50.2
124.07690	1.9
132.04613	2.0
133.02919	2.8
134.03256	1.4
134.06087	15.2
135.04526	6.9
136.07690	1.9
146.06134	2.8
148.04004	3.5
150.05623	2.5
150.06854	1.7
152.07169	63.9
160.04170	2.3
160.06483	3.3
161.02420	2.7
161.04814	2.4
162.02765	2.1
164.07085	1.7
173.04727	1.6
174.05565	3.6
179.03465	3.8
179.10809	2.0
180.06615	2.1
188.07213	7.1
191.05547	2.4
209.11865	3.3
211.08789	4.0
213.10350	15.6
223.08595	1.9
225.10309	5.7
226.11136	4.2
227.12132	1.6
235.09009	1.5
237.10338	4.8
239.11885	11.9
240.96342	1.4
241.13489	8.7
245.13062	7.8
249.10156	1.6
250.07428	2.0
251.08136	4.9
251.12036	3.4
252.09050	2.2
253.09790	6.6
263.08368	2.0
264.09042	2.5
265.09793	8.6
266.10495	2.8
267.11313	4.1
277.09793	3.1
278.06985	5.0
278.10577	5.2
279.07724	6.5
279.10999	2.5
285.03958	4.2
285.12460	32.3
286.12408	1.6
291.08041	2.1
291.11072	1.7
292.08780	1.5
293.09296	17.3
293.12906	10.1
294.10052	6.5
295.10867	16.2
295.86972	1.5
296.11060	1.7
306.10165	2.6
307.10776	5.9
309.12314	3.1
313.11935	3.3
323.10541	6.9
325.11847	1.8
337.08392	12.5
338.09061	3.8
339.09811	2.5
342.12366	2.0
344.13693	2.3
355.13086	2.8
357.14908	2.8
358.15601	10.2
359.15729	2.0
370.11792	1.7
384.13589	3.6
398.15216	2.0
400.16699	11.6
400.24124	1.6
412.16534	6.5
432.19666	1.7
444.15710	2.3
445.15836	1.5
458.17365	1.9
459.17828	6.3
460.18939	8.1
474.20517	7.5
476.18225	2.3
503.17111	5.0
504.17899	20.0
509.21014	1.4
518.19312	25.5
523.23236	4.2
535.19519	2.7
550.21960	35.3
551.22241	3.7
565.24567	72.4
566.24884	5.0
597.27032	8.6
609.23474	38.9
610.23981	3.3
637.38104	4.0
641.26178	100.0
642.26605	11.9
672.30548	2.2
672.40411	5.6
673.29633	23.5
673.41180	8.5
674.28711	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	673.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44868	0.6
55.36111	0.7
55.54116	0.5
59.01382	29.1
61.98807	1.9
67.59963	0.6
69.19345	3.2
71.01384	14.3
71.04979	0.5
73.02947	5.3
75.53091	0.6
80.02665	0.8
81.03448	2.0
82.89146	0.5
83.01412	0.7
83.05018	1.7
85.02957	2.8
87.00900	0.7
89.02444	23.5
95.01369	1.0
97.02953	7.3
99.00885	7.2
101.02447	11.1
107.05049	0.8
109.02914	0.9
109.06592	21.0
110.03683	2.8
113.02435	4.4
119.03521	3.3
121.06548	1.4
122.02457	0.8
125.02444	1.2
131.03517	4.7
133.02875	1.5
134.03633	0.7
135.04506	1.9
135.08145	2.8
136.05295	1.0
141.01582	0.6
143.03545	0.8
145.10301	0.7
149.04552	13.3
149.05762	0.4
151.00394	0.7
161.02446	3.0
161.04555	1.2
161.09685	1.3
163.11287	13.8
164.11531	0.7
179.03488	1.6
179.05632	0.8
179.10849	0.7
181.12328	14.6
182.12645	1.3
189.09232	1.0
190.96611	0.6
191.05560	3.3
207.10265	55.4
208.10622	2.1
209.11830	1.3
221.04517	0.9
221.06641	0.9
225.11324	100.0
226.11674	4.2
251.07709	1.6
281.06607	0.9
284.03290	1.1
285.03970	6.2
286.04184	1.0
305.81500	0.6
341.08743	0.6
447.22345	36.9
448.22583	2.9
570.43335	0.7
637.37964	2.2
673.20544	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94287	0.2
54.95462	0.2
57.03428	0.3
59.01378	3.3
61.98817	1.0
65.00320	0.3
66.00949	0.2
71.01383	2.5
73.02934	0.6
80.02684	1.0
81.03441	0.9
83.01378	0.7
83.05027	4.7
84.02163	0.9
85.02920	0.6
87.00879	0.6
89.02454	1.9
93.03442	0.3
95.05025	0.5
98.21781	0.4
99.04509	0.2
101.02431	2.1
107.01392	0.8
109.06579	0.3
113.02478	0.9
119.03503	0.5
121.02991	0.2
125.02477	1.0
125.06103	0.3
125.09712	0.2
135.04546	0.4
135.08115	0.6
147.02969	0.3
149.06065	0.2
150.06853	2.2
151.00366	2.4
151.07188	0.7
152.07155	0.2
155.03482	0.3
161.02231	0.2
161.04533	0.8
161.05975	0.3
163.07579	0.6
163.11287	3.4
164.08125	0.4
165.12839	2.2
169.43744	0.2
171.10283	1.4
177.09206	0.3
179.10757	0.8
180.11130	0.3
181.12355	0.4
184.70134	0.2
191.05574	0.4
191.10768	0.8
209.11818	100.0
210.12163	4.0
212.02667	0.2
221.11766	0.2
227.12874	13.8
228.13185	0.3
233.12033	0.2
235.08159	1.7
247.13412	0.9
253.09274	5.6
255.13838	0.3
265.14316	0.3
269.04681	0.3
271.17200	0.2
285.03955	0.7
297.14966	0.8
313.14520	0.3
315.16144	0.4
331.15411	0.8
359.15073	2.2
385.12772	0.5
445.20773	0.8
447.09024	0.5
455.04434	0.2
463.34427	0.2
464.34460	0.3
465.34552	0.4
467.16977	0.3
492.33777	0.3
509.34659	0.3
510.35062	1.0
511.15976	5.4
511.22778	0.5
511.35403	1.4
512.16650	0.7
599.12738	0.2
637.32495	0.6
641.25806	0.2
651.81494	0.2
655.32910	0.3
656.98969	0.2
672.40430	1.4
673.23138	1.4
673.40863	9.1
674.40540	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76165	2.2
57.03428	2.9
59.01377	19.1
61.98827	3.4
71.01383	63.1
73.02944	23.3
83.01404	5.0
85.02953	24.1
89.02438	6.2
95.01390	5.0
97.02927	2.4
99.00889	8.0
101.02451	48.0
113.02457	28.2
141.01765	2.2
143.03510	6.9
159.03029	10.5
161.04567	100.0
184.62355	2.3
346.35507	2.0
392.27209	8.5
396.04486	2.1
407.29535	7.7
454.92731	2.2
464.42923	2.1
469.29605	25.8
470.06265	2.0
631.34845	84.3
632.35181	6.8
674.35352	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	674.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.3
56.42824	1.5
57.03459	2.5
59.01379	90.8
61.98826	3.4
71.01378	50.3
73.02943	6.5
78.95934	2.2
83.01373	2.4
85.02946	12.1
87.00882	4.3
88.84968	1.7
89.02443	60.1
89.03005	3.1
91.57677	1.7
95.01389	4.9
96.95988	1.6
99.00858	2.1
101.02444	44.8
113.02448	23.1
119.03497	36.1
131.03510	5.9
133.67012	1.6
143.03520	7.4
149.04532	2.4
151.00391	1.7
161.04549	21.0
179.05641	30.4
180.00224	1.7
191.05684	2.7
615.35284	4.1
631.34802	100.0
632.35077	11.0
651.26447	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64695	0.3
56.31734	0.4
57.03441	0.5
59.01369	1.8
60.99284	0.5
67.01878	1.3
69.03445	0.7
69.44641	1.2
71.01374	1.3
71.61186	0.3
81.03469	0.6
83.05014	0.8
85.02943	10.9
85.03462	0.6
87.00869	4.7
93.03453	12.5
96.95997	1.0
97.02934	1.0
98.22708	0.6
99.00900	0.3
99.04520	0.6
101.02427	0.7
109.02959	1.0
111.04510	2.8
115.00363	0.6
117.03522	0.3
119.05023	2.8
121.02843	0.4
121.49706	0.3
123.04469	0.5
123.13475	0.3
127.04014	2.7
133.02977	0.5
135.04463	0.7
137.02493	0.7
138.01982	0.6
143.04980	0.6
148.01317	0.3
155.03458	1.0
163.03993	2.2
171.02977	0.8
173.04541	4.7
179.03476	0.6
191.05600	100.0
192.05890	2.2
211.07632	2.2
211.36070	0.3
265.08636	1.2
288.21841	0.3
304.32034	0.3
305.06958	0.3
309.07693	0.4
327.08694	2.5
337.09320	2.8
353.36902	0.3
372.48712	0.4
483.12802	0.7
501.13901	0.5
557.85663	0.3
654.94763	0.3
675.19208	37.1
676.19568	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	675.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.2
59.01373	1.0
61.98817	0.1
64.00134	0.1
67.01885	0.4
69.03443	0.2
69.47656	0.2
71.01384	0.8
71.44569	0.2
73.02945	0.4
81.03439	0.2
85.02948	5.4
87.00871	1.5
89.02447	0.3
93.02928	0.3
93.03461	2.8
96.96021	0.2
99.04519	0.3
101.02439	0.3
109.02937	0.5
111.04531	1.1
113.02439	0.2
119.05009	0.8
123.00798	0.2
124.31517	0.1
127.03988	1.3
133.02916	0.2
134.03773	0.2
135.04497	0.2
145.02914	0.7
150.03305	0.2
152.01141	0.2
155.03502	0.2
161.02400	0.3
163.04019	1.3
165.05586	0.3
166.02701	0.2
167.03526	0.3
171.03046	0.2
173.04527	1.7
191.05617	100.0
192.05962	2.5
192.07614	0.2
193.05135	0.2
287.09253	0.7
319.40540	0.2
337.09277	29.5
338.09628	1.6
615.29138	0.4
617.11456	0.2
675.18835	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84510	0.6
59.01379	17.2
61.98820	1.8
67.01878	0.9
68.99820	0.9
69.03446	1.1
69.21692	1.7
69.22072	1.6
71.01378	13.2
73.02955	4.9
76.20147	0.6
83.01389	1.1
85.02950	5.3
87.00877	1.8
89.02447	16.2
92.61530	0.7
93.03444	2.3
95.01500	0.9
95.05031	3.6
96.96015	1.9
97.02959	1.8
98.22648	1.2
99.00877	7.0
101.02451	11.7
108.02161	2.3
109.02952	1.0
111.00924	1.8
111.04529	0.9
113.02463	3.8
116.92857	0.6
119.03497	2.0
121.02962	1.2
122.03766	0.7
123.00877	2.2
123.04539	1.0
124.01660	1.4
125.02459	0.8
127.04006	2.3
131.03503	1.8
133.02960	1.3
134.03754	1.3
135.04543	2.6
137.02411	0.9
139.00363	1.6
149.02614	0.8
149.04543	4.4
151.00423	0.8
151.03995	0.7
152.01178	0.6
154.66173	0.6
161.02466	1.7
161.04555	2.6
163.04079	0.9
165.05589	2.6
173.04504	1.5
179.03535	1.4
179.05585	2.0
191.05621	34.3
192.05869	0.9
193.05042	1.7
195.06618	0.8
233.48399	0.6
241.07173	1.9
287.09216	9.9
288.09637	1.1
337.09360	9.0
345.15558	4.9
452.12512	0.8
459.19025	0.8
477.19778	100.0
478.20203	6.0
483.16690	1.1
675.22845	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2295
Annotation	Icariin
Peak:m/z	Relative Intensity
57.03445	1.6
59.01368	5.1
61.53139	0.8
61.98833	6.3
65.00325	11.1
68.99814	1.4
69.03433	1.4
71.01378	3.3
71.47023	1.1
74.99488	0.8
83.01379	5.4
85.02936	1.9
88.98829	1.2
89.02426	2.4
91.05551	1.3
93.03457	2.2
95.01393	1.1
96.96009	4.0
97.02942	1.0
101.02461	2.3
107.01392	16.3
107.05064	1.0
107.54552	0.9
109.02922	1.0
111.00829	1.2
119.05023	2.0
120.63541	0.9
121.03001	1.2
122.06133	1.2
123.04532	2.0
125.01770	0.8
125.02467	9.3
125.09715	7.1
131.01410	1.4
133.02950	2.4
134.03738	6.4
135.04533	28.7
136.01631	1.1
136.07603	0.9
137.02431	2.3
138.05617	1.1
141.12857	0.8
145.06570	1.0
147.04565	7.3
148.05307	12.2
149.04581	1.0
149.06029	1.4
151.00378	56.2
151.03920	1.6
152.00816	1.6
153.01894	0.9
155.03421	1.1
160.01656	1.0
161.02466	9.6
161.06071	1.6
162.03171	1.4
163.04059	1.3
163.07643	2.7
164.01204	0.8
165.01950	1.9
165.05489	1.3
167.03532	7.4
167.10802	1.8
169.01408	1.2
171.10219	1.2
173.04575	1.9
173.05997	2.2
174.03210	1.8
175.00377	7.4
175.03979	5.8
176.04832	5.6
177.01967	5.2
179.03456	1.9
180.04152	1.9
185.11844	9.1
186.06804	1.0
189.05594	4.7
191.04004	1.3
191.05634	5.9
191.07138	1.3
193.01393	1.4
195.06728	0.9
199.03970	1.6
201.05653	1.0
213.05550	1.3
214.06390	6.3
216.07893	1.4
242.09587	1.3
257.12970	4.7
269.04541	4.9
270.04816	1.0
273.15128	4.8
283.13467	2.1
284.03107	1.1
285.04065	3.9
286.04333	1.5
287.05646	1.5
297.14874	2.6
299.16510	2.6
315.16055	5.8
315.19119	1.2
319.12927	8.3
325.14474	15.0
333.17078	6.2
335.14841	2.8
343.15503	55.3
344.15845	5.5
355.12683	1.1
357.31378	0.9
359.14996	2.1
361.16583	49.1
362.16818	2.9
369.13416	3.3
387.14532	25.8
388.14752	1.2
480.99487	1.0
483.20276	1.2
495.16940	9.1
513.17657	100.0
514.18048	10.7
530.10071	1.4
555.18658	2.9
639.36218	1.6
643.24731	1.2
657.22418	5.8
675.22797	51.5
676.23138	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	675.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36166	0.6
55.02318	0.6
57.03436	2.8
58.21563	0.6
59.01106	1.1
59.01379	9.2
60.96333	0.6
61.98820	2.3
63.02393	1.1
65.00326	12.9
69.03437	1.1
70.32815	0.6
71.01368	3.7
73.02957	3.2
81.03452	1.3
83.01386	7.6
85.02962	1.3
87.00840	0.6
89.02442	2.2
93.03445	0.8
94.94056	0.6
95.63792	0.6
96.96008	8.0
101.02449	3.5
107.01390	19.2
107.04980	0.8
109.02955	1.2
113.02477	0.9
114.18198	0.6
125.02444	21.5
133.02972	3.7
134.03748	1.2
135.04526	69.3
136.04854	2.3
139.11256	3.3
149.02370	0.9
151.00366	100.0
152.00711	2.4
161.02451	10.0
163.11296	0.8
169.01363	1.5
169.12378	1.8
170.81802	0.6
173.04572	1.1
175.00409	1.5
175.04091	0.7
177.01904	1.8
178.82256	0.6
179.03471	1.7
179.10751	1.1
181.12363	1.3
183.10269	6.9
191.05635	2.7
193.01379	0.7
199.13370	0.9
209.11848	1.2
213.11383	1.4
225.11279	5.9
229.17888	0.8
243.12375	7.5
255.02899	1.2
267.12436	1.0
269.04428	2.9
283.02475	0.8
283.10751	0.7
284.03345	1.8
285.04086	5.0
285.13443	2.9
287.05600	49.3
288.05917	2.2
327.14444	2.2
343.15811	0.9
345.15594	1.3
351.14365	0.7
387.16653	12.2
405.17572	1.4
447.09177	1.7
488.08530	0.6
495.17905	1.2
513.18365	2.7
637.38403	1.0
639.39453	7.6
657.09387	0.7
657.22321	2.3
674.41962	1.6
675.22998	33.6
675.36621	11.9
676.23199	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	675.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.7
61.98814	0.6
67.01890	32.1
68.02214	1.1
68.99812	14.4
69.03452	9.2
69.12714	2.4
69.13123	2.0
71.01382	2.7
73.02949	2.0
85.02929	2.1
87.00871	0.9
89.02444	1.8
93.03442	2.5
95.01417	1.0
95.05027	100.0
96.05375	2.7
97.02952	3.0
99.04517	16.8
101.02443	39.6
104.54561	0.7
108.02219	0.9
111.00880	40.4
111.04507	1.4
113.02507	0.9
121.02956	18.4
121.06552	1.1
123.04530	3.7
127.04012	58.7
128.04294	1.0
135.04535	2.0
137.06062	4.3
139.00371	27.8
139.04001	20.7
147.04617	0.8
149.02380	1.2
153.05556	1.7
161.02451	1.3
161.04550	1.0
165.05563	9.4
167.07149	1.1
169.08643	1.4
171.02979	1.4
173.04568	0.7
179.03465	1.1
181.05070	13.3
189.05804	0.8
191.05585	5.9
202.89131	0.7
204.39224	0.9
209.04588	5.9
213.07689	6.0
213.10854	0.8
241.07176	47.7
242.07515	0.8
257.97086	0.8
265.08627	1.1
273.09659	4.0
327.08795	3.4
349.22668	0.9
353.06726	1.5
383.07663	1.6
401.14651	6.2
431.14813	0.8
460.03436	0.8
501.14377	0.7
593.14771	5.6
675.19574	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	675.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60735	0.2
52.88696	0.2
55.01874	1.9
57.03448	1.2
58.00600	0.5
59.01380	67.7
60.01703	0.4
61.98837	0.5
68.99810	0.3
69.03458	2.7
69.38700	0.5
69.39099	0.5
71.01382	44.1
72.01745	0.5
72.99309	1.6
73.02950	7.9
74.48082	0.3
75.00878	1.1
78.95901	0.5
79.01881	0.3
81.03450	1.9
83.01390	5.2
83.05042	0.4
85.02444	0.5
85.02956	9.5
86.00098	0.4
87.00877	10.6
87.04481	0.4
89.02447	37.2
89.33612	0.2
90.02802	0.5
91.04014	0.8
93.03480	0.7
95.01380	3.3
96.96960	0.2
97.02954	8.0
98.03290	0.3
99.00875	2.4
99.04550	0.5
101.02444	34.4
102.02752	0.5
103.00431	0.3
103.04032	0.3
107.03490	0.3
109.02938	0.8
111.00914	0.6
111.04529	1.5
113.02451	16.8
114.02794	0.4
115.03983	0.8
119.03505	11.5
121.02953	0.8
123.04541	0.3
124.01690	0.4
125.02450	14.5
126.02806	0.4
127.04057	0.5
131.03522	2.1
133.05070	1.0
139.04002	1.2
141.01930	0.8
143.03502	6.7
149.04567	1.3
151.03990	0.3
152.99570	0.4
157.05113	0.2
161.04565	7.6
167.03529	1.2
169.05099	0.5
179.05624	6.4
185.04559	0.9
185.06015	0.2
199.06149	0.5
203.05646	0.5
217.07179	1.0
219.05136	0.5
221.06677	3.2
233.22679	0.7
235.08229	15.8
236.08568	0.5
245.06631	1.0
253.09280	3.6
259.08209	0.4
259.20828	0.5
263.07693	1.7
277.09323	1.0
277.21722	100.0
278.22064	7.3
287.07758	3.6
291.23297	0.3
305.08807	4.2
323.09793	1.5
361.11386	0.5
379.12466	1.1
397.13492	89.5
398.13800	6.1
415.14545	36.8
416.14841	2.1
510.78256	0.2
593.27429	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90537	0.4
53.15255	0.5
53.51485	0.4
55.01865	1.5
57.03446	1.3
58.00580	0.8
59.01380	56.3
61.98820	1.4
68.95707	0.5
68.99802	0.9
69.03471	2.4
69.60036	1.8
71.01380	36.6
72.01704	0.5
72.99298	1.5
73.02946	6.0
75.83038	0.5
78.95905	11.7
81.03449	2.2
83.01389	4.6
85.02956	8.5
86.00106	0.6
87.00880	8.3
89.02446	35.6
91.17145	0.6
93.03436	0.7
95.01383	2.8
96.48739	0.5
96.96982	2.0
97.02945	6.3
99.00867	2.0
101.02448	29.6
102.02834	0.5
103.04011	0.7
109.02973	0.8
113.01698	1.0
113.02449	14.6
115.04012	1.2
115.56117	0.5
119.03498	11.5
121.02953	0.7
123.04592	0.6
125.02449	12.4
131.03485	1.8
133.05081	1.1
135.04503	0.9
136.94861	0.6
139.03961	0.8
143.03505	5.9
149.04494	1.2
152.99593	13.9
161.04559	7.5
167.03514	1.0
169.04979	0.8
171.00604	0.5
179.05608	6.8
185.04649	0.7
191.05620	0.6
212.34280	0.5
217.07216	1.0
219.05237	0.6
221.06677	2.0
223.00148	1.7
233.22699	0.7
235.08234	14.4
241.01186	3.5
245.06593	1.1
253.09311	3.5
255.16545	0.6
263.07669	1.2
277.21725	100.0
278.22058	4.7
287.07761	3.0
305.08768	4.0
315.05072	0.8
323.09796	1.8
379.12311	1.2
397.13489	86.8
398.13806	4.7
415.14560	38.5
416.14722	2.3
593.27252	17.4
594.27716	2.3
615.24048	0.7
646.91229	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03600	1.7
50.89467	1.8
54.05584	2.0
54.66006	1.6
55.01852	3.0
55.23082	1.9
57.03439	1.8
59.01381	62.6
61.98823	3.6
71.01382	67.1
72.51993	2.1
73.02945	23.4
78.95900	9.2
83.01394	9.2
85.02950	31.2
89.02449	6.7
91.33987	1.8
95.01376	3.7
96.96015	3.7
97.02947	2.6
98.22591	6.1
99.00879	7.1
101.02444	43.9
104.60844	1.8
113.02451	31.7
124.00143	4.1
131.45966	2.0
143.03500	5.8
152.99602	7.6
159.02939	9.4
161.04558	84.0
171.00722	2.3
191.05531	3.3
193.33780	1.7
392.26926	2.2
407.29370	10.3
453.30099	59.3
454.30392	6.9
615.35388	100.0
616.36139	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	676.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.7
57.03447	1.5
59.01381	22.2
61.98823	1.7
63.38482	0.6
69.03471	0.7
69.13847	1.2
69.14255	2.4
71.01385	21.6
71.41457	0.5
72.99278	0.6
73.02943	8.9
82.95399	1.6
83.01390	5.3
85.02955	10.9
86.00085	1.6
87.00874	1.8
89.02447	4.9
95.01376	2.1
99.00872	3.6
101.02444	22.7
113.02453	9.2
119.03529	1.4
125.02432	1.1
133.02974	1.4
134.03725	1.0
135.04544	2.1
143.03496	0.9
151.00363	2.0
151.04185	0.5
156.28658	0.6
159.03047	1.4
161.02434	2.5
161.04552	5.7
173.04440	1.0
177.01721	0.8
179.03525	1.7
179.05591	1.1
185.11839	1.1
191.05591	1.6
209.11815	2.0
210.12105	1.2
211.13359	4.4
227.12959	1.0
229.14484	1.0
240.63779	0.7
249.74075	0.6
269.04459	1.1
275.09277	1.9
284.03247	0.7
285.04010	4.7
286.04276	1.0
362.24951	0.6
395.29517	1.6
417.15152	0.7
471.31226	5.0
472.31213	0.7
496.36923	0.6
536.46948	0.7
589.37476	16.6
590.37854	2.1
633.36420	100.0
634.36780	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	676.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.1
61.98817	3.5
71.01366	2.3
81.21986	0.8
83.05081	0.8
84.00914	1.9
89.02410	1.5
93.03492	1.4
96.96014	3.4
101.02422	2.9
119.03468	1.5
123.04518	1.1
125.02443	1.0
125.97393	0.9
128.03496	0.7
133.02902	0.9
135.04510	2.4
151.00359	1.2
161.02408	2.5
167.03438	1.3
173.04648	1.0
179.03452	1.5
181.50970	0.8
191.05611	3.1
285.03952	1.1
383.11285	1.0
470.52481	0.8
471.31146	100.0
472.31436	13.0
482.81232	0.8
497.23639	1.7
498.46582	0.8
633.36487	1.3
676.23029	1.4
676.36658	4.0
677.31146	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	676.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	14.6
60.75168	1.5
61.36348	1.7
61.98833	2.7
68.99808	3.0
69.03454	2.8
69.34254	6.7
71.01382	8.5
72.02416	1.6
73.02923	3.5
79.95740	6.2
84.00890	2.0
85.02944	4.9
87.00884	4.0
89.02439	6.7
93.03452	9.5
95.01391	2.8
96.96013	26.9
97.02952	1.9
98.22581	3.4
101.02434	8.3
109.02936	2.5
111.00890	3.7
111.04552	2.6
113.02441	2.6
118.65472	1.5
119.03553	2.7
119.64678	1.5
121.02974	1.6
123.04528	4.2
125.02438	3.5
127.04000	1.8
131.03484	1.5
133.02936	4.8
134.03694	1.9
135.04518	9.6
137.02434	1.5
149.02498	1.9
151.00374	6.6
155.03517	9.8
161.02460	9.4
162.02782	1.8
163.13420	1.7
165.46753	1.7
167.03468	3.7
173.04593	7.9
177.05592	1.7
179.03493	4.9
191.05603	15.9
195.06575	2.0
208.81151	1.8
209.11818	15.2
210.12199	1.9
214.06090	1.6
227.12872	5.8
241.05217	1.7
269.04547	8.9
270.04913	3.7
284.03256	6.3
285.04050	17.8
286.04367	5.4
289.07697	1.7
304.05887	7.0
304.55945	2.4
447.09317	3.5
448.09418	4.7
449.14490	6.0
451.12573	3.8
471.31180	100.0
472.31131	9.6
491.19995	1.6
492.11169	1.7
521.16998	4.8
641.37634	6.0
658.23853	1.8
676.37671	2.9
677.21112	23.5
677.32568	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	676.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23066	0.8
56.82055	0.8
57.02340	0.9
59.01384	5.2
61.98829	33.9
67.79330	0.7
69.03437	0.8
70.99886	1.0
71.01367	3.0
71.55383	0.7
84.00912	1.2
84.54024	0.9
85.02940	1.5
88.98797	1.0
89.02426	1.5
93.03472	1.6
96.95982	1.0
101.02460	1.8
107.01395	0.9
109.02954	1.5
113.02437	1.0
113.70212	0.8
116.22339	0.8
125.02498	1.4
133.02927	3.5
135.04494	3.6
137.02461	1.0
151.00380	2.5
161.02403	5.2
162.08917	0.9
165.05708	0.9
165.07251	0.9
179.03494	2.1
179.81929	0.9
191.05537	4.1
204.05338	0.9
208.59532	1.0
269.04590	0.8
284.02963	1.2
285.04095	3.5
286.04520	1.4
287.05545	1.4
304.06189	0.9
373.25229	1.9
390.25882	1.2
407.29962	1.1
453.30072	27.1
454.30316	3.2
471.31152	100.0
472.31357	11.9
497.17966	2.4
633.36188	1.6
676.27039	1.2
676.36896	6.1
677.37335	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	676.371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04839	1.1
59.01378	6.1
61.98832	7.9
69.07539	2.2
69.07948	5.5
71.01385	4.0
85.02956	2.5
89.02455	3.5
93.03479	1.4
101.02447	3.7
107.84104	1.0
119.03561	1.1
135.04520	1.9
139.90459	1.0
151.00383	1.9
161.02480	2.6
173.04683	1.1
184.57497	1.2
191.05577	7.0
209.11824	1.9
210.12128	1.2
215.07210	1.2
227.12958	1.8
228.13472	1.1
233.08170	1.6
285.04022	1.7
377.28177	1.4
430.77667	1.0
448.22922	1.2
448.85947	1.1
453.29947	6.6
454.30191	1.6
460.94821	1.0
465.18842	1.2
471.31152	100.0
472.31485	9.9
497.17673	1.5
573.05408	1.1
612.51111	1.2
633.35840	2.3
639.39746	3.4
640.39813	8.8
641.38928	1.7
676.37335	18.0
677.37030	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	677.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92613	0.7
55.33106	0.7
59.01375	4.0
61.98838	1.5
64.14773	0.7
67.01897	2.7
68.99819	1.8
69.03442	1.1
71.01398	3.7
73.02963	1.1
78.09421	0.7
79.95736	8.1
81.03445	0.9
82.95419	3.3
83.05036	1.5
85.02955	3.0
87.00888	2.3
89.02441	1.4
93.03455	14.4
93.04003	1.0
93.56135	0.7
95.01411	3.3
95.95236	2.0
96.96017	33.0
101.02455	3.6
107.05055	1.0
108.00054	0.7
109.02957	2.4
110.97629	1.1
111.00896	1.1
111.04518	5.2
113.02439	0.8
123.04517	4.6
125.02470	2.4
127.03974	1.5
133.02959	9.1
134.03723	3.7
135.04532	54.5
136.04831	1.2
137.02464	5.4
151.00377	2.4
155.03510	21.2
155.04706	1.5
161.02448	23.8
162.02812	1.0
165.02219	2.4
167.03519	3.6
172.05315	0.9
172.91556	0.8
173.04556	72.0
174.04890	2.7
177.01991	0.7
179.03500	62.5
180.03862	2.4
181.42163	0.9
182.99864	0.8
191.05621	43.0
192.05997	1.5
203.03552	1.1
209.11800	4.8
210.12125	1.2
227.12910	2.7
228.74904	0.8
231.67442	0.8
240.82031	0.8
241.00194	0.9
247.06252	0.8
255.06558	1.0
267.29282	0.7
269.04572	1.6
285.04028	2.0
289.07520	3.0
299.05515	1.2
307.08649	1.5
335.07736	5.9
343.37564	0.8
353.08774	27.4
354.09079	1.2
431.43741	0.7
441.22870	0.8
451.13000	4.0
467.20236	0.9
471.30823	3.7
472.31552	1.8
497.11020	1.1
515.11945	100.0
516.12280	10.1
521.17041	7.1
641.37592	2.6
659.24036	0.9
677.21832	25.5
678.22406	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	677.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.9
64.41808	0.5
67.01902	1.5
69.03437	0.6
71.01380	1.7
73.02956	0.7
85.02948	8.2
87.00861	3.6
89.02425	1.0
93.03462	11.9
96.96006	2.5
96.99339	0.5
106.21902	0.5
109.02970	1.5
111.00848	0.9
111.04524	2.2
117.03477	2.5
120.63203	0.5
125.02500	0.5
127.04015	1.9
129.01952	1.0
133.02972	6.5
134.03743	1.6
135.04529	53.7
136.04811	1.2
137.02440	0.8
154.99904	0.6
155.03500	0.6
159.15508	0.5
161.02446	24.6
162.02782	1.4
171.03047	0.9
173.04567	4.5
179.02298	0.4
179.03497	16.4
191.05612	100.0
192.05922	3.4
203.03654	0.5
205.01398	0.8
221.04572	0.8
285.04031	0.8
323.07751	6.9
341.08551	1.0
353.08740	4.2
395.09741	1.7
459.12985	1.3
485.10910	18.2
486.11176	1.8
503.11942	0.7
515.14032	29.9
516.14368	2.4
677.17157	44.0
678.17462	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	677.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.6
69.32890	1.5
69.33295	0.8
71.01386	1.0
73.02969	0.6
75.09345	0.4
83.05079	0.5
84.65823	0.4
85.02956	8.1
87.00892	1.3
89.03961	0.6
93.03462	3.9
105.03506	0.4
109.02979	0.8
111.04503	1.0
117.03469	5.5
125.02493	0.5
125.84037	0.4
127.04004	2.4
133.02954	5.3
134.03760	2.0
135.04529	100.0
136.04872	2.5
155.03493	0.7
160.01704	0.9
161.02446	30.5
162.02742	0.8
162.32274	0.4
171.03033	1.0
173.04549	3.9
177.05643	0.8
179.03496	13.4
191.05617	59.0
192.05989	1.4
205.01370	2.7
221.04622	1.5
323.07724	12.2
335.07745	0.7
341.08719	1.3
353.08746	2.6
459.12766	2.6
485.10901	61.5
486.11481	4.5
503.11978	0.8
515.14050	17.3
516.14063	0.9
567.99066	0.5
677.17163	19.3
678.17767	1.9
679.62524	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.2
59.01377	4.6
60.99293	0.7
67.01891	3.9
68.99837	1.0
69.03466	1.4
69.18658	3.9
71.01378	4.3
81.03468	1.0
83.05002	1.4
85.02943	4.0
87.00857	1.3
93.03458	23.2
96.96015	1.5
99.04514	0.7
101.02452	2.9
109.02971	1.3
111.00883	0.9
111.04540	5.3
117.03476	1.0
119.68623	0.6
123.04479	0.9
125.02549	0.9
127.04010	1.5
132.02144	1.5
133.02951	8.7
134.03783	3.5
135.04524	90.6
136.04843	2.3
137.02437	6.9
143.79689	0.7
147.02257	0.7
153.05475	0.7
155.03513	5.4
157.83978	0.6
160.01646	1.7
161.02443	38.5
162.02753	1.7
173.04544	81.9
174.04886	2.4
177.98172	0.6
179.03493	100.0
180.03824	3.1
191.05600	36.2
195.06567	0.8
201.96159	0.6
203.03412	3.4
225.07614	1.3
256.00598	0.6
258.84509	0.7
299.05490	0.9
317.06631	1.3
323.07724	12.3
324.07910	0.7
335.07581	2.5
341.08777	14.4
342.09079	1.0
351.47516	0.7
353.08743	39.0
354.09015	2.7
361.12000	0.7
390.02985	0.6
446.95084	0.7
475.20044	0.7
497.12930	1.3
498.92038	0.7
503.12021	1.7
515.13641	50.6
516.13934	4.0
639.53564	0.7
677.17053	14.5
678.17865	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35640	0.5
57.03445	1.3
59.01377	2.9
61.98821	1.0
65.00340	0.8
65.06165	0.5
68.07625	0.5
69.03455	1.7
71.01383	2.1
80.02691	0.6
83.05016	1.8
84.02159	1.0
85.02950	4.0
93.03470	2.9
95.05013	0.6
97.02956	2.4
97.06596	2.5
99.94308	0.5
101.02470	0.7
107.01376	1.1
109.02937	0.7
111.04535	0.8
123.04436	0.8
123.08193	0.6
125.02391	0.7
125.09772	1.1
127.07708	0.5
133.02965	0.7
134.03731	1.0
135.04529	1.5
137.02512	0.7
137.09744	2.4
151.00345	2.9
155.10820	0.7
162.10512	0.6
163.11273	1.5
164.01169	2.1
165.09016	1.0
165.12851	13.4
166.13132	0.9
167.14409	0.7
171.10278	6.4
173.04573	1.3
174.03194	1.3
175.11275	0.8
177.01913	0.8
179.03510	0.8
179.10600	1.9
181.12311	0.9
183.13892	1.9
185.09526	0.7
185.11836	0.8
189.09026	0.6
191.05602	18.3
192.05972	0.8
193.08444	9.1
193.12231	2.1
197.11891	1.5
199.03972	1.6
201.09004	1.0
203.06886	0.6
203.10585	2.0
205.12090	4.1
207.10025	10.7
207.11816	1.0
209.11821	1.4
211.11398	0.8
211.13403	13.2
215.10596	1.7
217.37878	0.6
219.10020	4.5
221.11671	10.3
229.14462	8.1
231.10051	7.8
233.11591	63.8
234.11891	2.8
239.12874	1.3
241.05070	1.4
242.05875	1.1
243.10017	1.8
247.09496	1.1
248.10170	1.5
249.11243	10.3
251.12617	10.8
252.11520	0.8
261.11075	14.3
262.11487	0.6
279.11105	0.9
284.03198	0.7
285.04074	3.1
286.04773	2.8
291.16470	0.6
291.19635	2.1
313.17825	3.5
323.52893	0.6
327.21762	69.2
328.22076	4.0
331.18906	6.7
349.19952	100.0
350.20309	5.7
443.19165	1.3
448.09644	0.7
452.17725	0.5
497.18054	8.7
498.18723	1.1
659.22900	2.6
677.28369	2.0
677.41718	13.6
678.42291	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	678.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03799	0.2
59.01382	0.9
61.98829	100.0
62.30563	0.3
71.45734	0.4
72.55898	0.3
78.95904	0.6
101.02467	0.3
127.00175	0.3
162.30646	0.3
203.29805	0.3
233.71504	0.3
285.04126	0.6
378.47330	0.4
427.70276	0.4
679.24091	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57608	3.9
53.56617	4.3
56.30380	4.7
59.01381	21.8
61.98830	52.7
69.41975	20.0
70.91584	3.7
71.01380	10.5
76.05075	3.9
77.22987	3.7
80.41570	4.0
101.02435	10.6
101.06088	43.2
113.02413	4.9
135.04558	7.9
138.25722	4.4
191.05626	15.2
204.02979	4.0
255.03012	4.2
285.04092	18.2
286.04495	7.7
287.05231	3.8
371.25897	12.4
384.59973	4.5
433.50092	4.3
455.31601	18.0
456.32037	41.2
461.39365	5.5
497.18738	5.6
498.18768	5.4
533.31085	31.3
635.37994	100.0
636.38446	7.2
642.22699	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	678.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26382	1.3
59.01374	5.4
61.98828	45.3
63.69370	1.0
65.00348	1.1
68.99844	1.0
70.96638	1.2
71.01378	3.1
82.95380	1.3
84.00915	1.2
85.02943	2.6
88.98788	1.4
89.02431	2.1
93.03454	1.8
95.05022	1.1
96.96008	6.2
101.02421	3.0
104.23421	1.1
109.14555	1.6
113.02438	1.1
119.03468	1.4
125.61656	1.2
133.02940	1.9
135.04497	3.5
142.11400	1.2
150.03085	1.3
151.00349	4.2
151.96289	1.1
161.02429	4.4
165.05508	1.4
167.35851	1.0
168.77515	1.2
173.04539	2.6
179.03465	2.2
184.77756	1.2
191.05624	9.2
194.15181	1.3
204.05128	2.0
223.66487	1.4
247.72066	1.1
269.04556	1.8
285.04044	4.4
286.04260	1.9
287.05621	1.4
467.48041	1.1
473.32715	100.0
474.32974	7.9
498.18460	3.5
635.37842	4.1
678.39063	8.4
679.20258	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	678.386
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06800	2.0
59.01373	6.6
61.98830	65.5
71.01389	5.0
73.02936	2.6
84.00913	2.2
85.02940	4.1
87.00867	2.3
93.03453	2.9
96.96021	15.7
98.84737	1.8
101.02441	5.1
125.02429	2.1
133.03001	3.7
134.03854	1.9
135.04501	6.4
136.01669	2.4
151.00345	6.3
152.00751	1.8
161.02480	13.5
164.01155	3.3
174.03253	2.2
179.03464	3.2
191.05602	14.6
192.05859	2.7
199.04045	3.0
200.04416	2.1
204.05098	2.5
228.80597	2.1
269.04489	2.5
285.04086	10.6
286.04584	9.2
287.05426	3.7
400.18774	2.4
473.32736	100.0
474.33020	7.5
497.18161	4.5
498.18442	21.0
499.19092	2.5
635.39557	3.7
660.23480	8.8
678.38281	7.4
679.29254	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	679.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15157	0.6
59.01379	6.5
61.79198	0.6
69.03451	0.8
69.17866	2.1
69.18267	1.0
71.01379	4.3
73.02962	1.3
82.95421	0.6
83.01403	0.5
84.95131	1.1
85.02951	2.0
85.95475	0.5
87.62999	0.5
89.02438	1.8
95.01395	0.7
97.02949	0.8
99.00878	0.7
101.02436	3.1
105.03452	1.0
108.43191	0.5
109.02916	1.0
111.00820	0.5
113.02489	1.5
117.03492	1.4
117.35960	0.6
118.87767	0.5
121.02988	0.6
125.02443	2.8
132.02171	2.8
133.02956	42.2
134.03793	4.6
135.04527	22.6
137.02339	1.2
148.05235	0.6
149.06062	1.8
155.03500	0.6
159.04472	1.1
160.01643	1.6
161.02443	100.0
162.02780	4.1
163.03996	14.0
164.04713	2.0
175.04008	2.4
177.01929	0.5
177.05556	3.5
178.02718	1.9
178.06357	8.3
179.03491	17.3
179.07036	1.3
180.03828	0.9
191.05658	1.0
193.05078	0.8
193.08698	2.5
203.03448	2.1
221.04547	7.7
235.06050	0.7
242.86955	0.6
251.05518	3.3
275.09390	0.6
281.06671	6.5
285.04028	1.7
293.06918	0.7
295.07993	0.6
307.08282	0.7
323.07666	4.8
341.08746	3.5
349.72891	0.5
382.08725	1.1
383.09842	31.3
384.10281	1.8
392.81238	0.5
413.10901	0.9
425.10925	8.2
425.16455	0.9
471.31009	1.5
485.12991	40.9
486.13290	3.8
499.14746	1.1
589.37097	0.8
633.36420	6.5
635.37103	1.2
636.37610	1.1
679.22424	22.3
679.33673	1.2
680.22729	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32187	0.4
56.62081	0.5
58.37691	0.5
61.98812	0.8
63.02408	1.4
65.00333	1.3
78.95916	0.7
83.01372	1.1
85.16109	0.5
90.62145	0.5
105.42178	0.4
107.01380	2.5
109.15682	0.4
121.02973	1.7
121.08194	0.5
121.44243	0.5
133.02950	4.3
134.03751	1.1
138.81857	0.6
149.02393	1.1
151.00359	4.6
152.99544	0.9
165.01936	0.9
171.04509	0.5
175.03976	2.0
185.06174	0.5
187.03937	0.7
199.03979	2.7
200.04836	0.6
201.01929	1.1
211.04036	1.2
213.05618	0.9
215.65538	0.4
217.05000	1.7
227.03470	1.5
239.03435	0.6
241.05029	1.5
243.02951	0.7
255.02928	1.0
256.03757	4.2
258.60089	0.4
261.93011	0.5
279.23358	0.7
283.02509	0.9
284.03262	58.7
285.04025	100.0
286.04388	6.0
327.04968	0.7
414.40378	0.6
574.63062	0.5
679.27576	67.0
680.27991	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	679.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84673	3.0
59.01367	10.3
61.98820	29.7
63.95672	3.1
70.30472	7.1
71.01379	5.9
82.95403	14.5
88.70610	3.7
101.02450	11.3
109.50928	3.3
116.21883	3.1
117.89710	3.4
129.93492	3.2
133.02922	5.9
135.04547	5.2
137.55952	3.7
153.97273	2.8
159.80638	3.3
161.02458	12.8
162.02989	3.5
173.04565	3.9
179.03574	5.3
179.05576	7.7
186.55605	3.1
191.05614	12.8
195.21989	3.3
241.10944	3.0
280.65875	3.4
285.03958	6.2
286.04318	3.6
286.11322	3.1
319.22797	100.0
321.02649	3.3
323.09824	11.1
359.07529	32.4
499.18997	5.4
643.33051	5.4
661.24103	4.3
679.30768	82.7
680.31238	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	680.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19500	30.8
61.98819	100.0
70.63808	34.9
71.45274	42.7
93.43631	32.5
104.38154	34.8
138.33955	36.6
149.52020	32.0
180.30724	35.6
181.23094	33.7
345.69223	43.5
405.64938	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24919	0.3
61.98828	100.0
78.95905	0.9
80.96490	0.3
83.27783	0.3
98.22581	0.8
101.98076	0.5
116.92871	0.7
152.99599	1.3
255.23352	0.5
262.79190	0.3
270.60049	0.3
279.23239	0.5
307.18951	0.5
309.20776	0.4
325.20450	0.3
389.88412	0.3
475.14655	0.3
577.94379	0.4
600.20648	0.3
617.30902	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40625	0.3
50.56470	0.4
54.00329	0.3
59.01377	4.0
67.01866	0.3
68.54429	0.3
69.03453	1.9
71.01382	13.8
71.45890	0.4
72.01740	0.3
73.02951	0.6
85.02938	0.9
87.00872	0.4
89.02437	2.7
91.94061	0.3
93.03475	1.0
95.05026	0.6
96.95997	0.5
97.02953	8.7
101.02431	1.6
109.02952	0.3
111.04578	0.3
113.02439	1.0
115.00372	8.3
117.03436	0.4
119.05027	42.1
120.05367	1.3
121.02930	0.4
122.02492	0.7
123.04521	3.9
125.02441	0.4
127.04015	0.5
133.01431	13.4
135.04538	0.8
138.05582	0.4
143.03505	0.6
149.04549	1.1
155.03520	0.5
161.02411	1.0
161.04630	0.4
163.04005	100.0
164.04344	2.7
167.07108	2.2
179.05606	0.5
188.46513	0.4
191.05646	2.0
199.09741	0.4
220.52655	0.3
269.08118	0.5
278.14023	0.6
279.05087	6.7
280.08362	0.4
295.06131	0.4
311.09906	0.3
339.05026	0.6
369.19025	0.5
437.20224	1.1
481.36499	0.4
501.10452	0.8
671.09595	0.4
681.30463	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	681.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.1
59.01378	7.0
61.98816	1.6
63.79260	0.6
67.01900	1.3
69.03467	2.2
71.01376	5.8
73.02943	1.3
75.00898	0.8
78.07896	0.7
80.20815	0.7
81.03437	0.9
83.01426	0.8
85.02967	2.9
87.00887	1.7
89.02451	1.5
93.03455	17.8
93.04009	1.3
95.01389	1.5
96.96014	1.4
99.00874	1.0
101.02450	4.0
104.54557	0.7
105.03456	0.9
107.05079	0.8
109.02967	2.1
110.02750	0.6
111.00910	0.7
111.04518	2.8
113.02447	2.4
116.92855	1.1
119.05053	0.9
121.02966	1.1
121.91222	0.7
123.04494	0.7
127.53915	0.7
132.02156	2.1
133.02965	36.1
134.03792	4.2
135.04524	44.3
136.04889	0.7
137.02451	9.2
139.11302	0.9
145.02966	0.8
147.04546	1.6
149.02480	0.9
149.06108	1.0
155.03534	4.8
158.03821	0.9
159.04532	1.1
160.39240	0.7
161.02443	100.0
162.02800	3.2
163.03955	0.9
173.04546	38.9
175.04008	2.5
177.01920	2.2
177.05562	3.6
178.02718	0.9
179.03499	28.0
183.10233	3.5
186.40884	0.7
190.06332	0.9
191.05583	7.3
203.03511	1.1
220.03764	0.8
221.04633	3.3
250.23581	0.7
269.04520	0.7
269.08179	3.4
279.06796	0.9
283.13419	0.7
294.08911	0.9
295.10007	0.8
297.07593	2.8
302.45517	0.7
308.10321	0.8
309.07611	6.8
309.11057	1.6
312.09967	2.7
313.10852	0.9
323.07700	36.1
324.10327	3.5
325.10403	1.0
327.12476	4.3
329.13873	1.0
335.07718	13.8
339.12460	1.4
345.15485	2.7
347.17224	1.8
357.15594	6.8
431.13132	1.0
489.17545	1.8
497.12949	1.9
507.18741	2.1
519.13806	1.9
519.21490	9.4
609.57965	0.9
681.22229	63.1
682.22729	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	681.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12484	0.4
59.01377	2.0
60.30352	0.4
63.13390	0.4
66.07622	0.4
71.01380	2.3
85.02934	1.0
87.00847	0.5
93.03464	3.6
95.01469	0.5
96.95992	1.6
101.02448	1.5
105.03444	0.9
107.05022	0.6
108.02203	0.5
109.02939	1.5
111.04563	0.9
112.29359	0.5
113.02459	0.9
117.03471	1.6
121.02950	1.3
122.03724	0.6
132.02179	2.3
133.02956	40.8
134.03793	4.0
135.04521	28.8
135.05600	0.5
136.01665	13.1
136.04897	0.6
137.02477	2.3
139.11325	0.5
145.02953	1.3
146.03761	0.5
149.06088	2.2
151.04007	10.6
155.03491	0.9
159.04521	1.1
160.01653	1.3
160.05394	0.7
161.02441	100.0
162.02841	2.9
163.03981	0.7
173.04546	9.5
173.06023	0.9
175.04005	2.4
176.04730	1.0
177.01964	1.2
177.05530	3.7
178.02643	0.8
179.03490	17.4
183.10240	1.0
187.04018	0.7
191.05553	0.6
191.07094	0.7
193.05074	1.3
194.99742	0.5
203.03510	1.4
219.06740	0.5
221.04521	3.1
263.05649	0.9
267.06940	0.5
279.06488	0.6
280.05896	0.7
294.08817	0.6
304.40344	0.4
307.08066	0.5
312.09991	0.7
313.10855	1.4
323.07703	24.7
324.08038	1.5
327.12347	1.8
335.07474	0.8
342.11127	0.7
343.11893	2.9
357.15714	3.4
378.13229	0.5
403.49838	0.6
415.44543	0.5
425.21149	0.6
497.12842	0.5
591.54340	0.5
663.19495	0.5
681.21899	66.9
682.22260	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	681.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12484	0.4
59.01377	2.0
60.30352	0.4
63.13390	0.4
66.07622	0.4
71.01380	2.3
85.02934	1.0
87.00847	0.5
93.03464	3.6
95.01469	0.5
96.95992	1.6
101.02448	1.5
105.03444	0.9
107.05022	0.6
108.02203	0.5
109.02939	1.5
111.04563	0.9
112.29359	0.5
113.02459	0.9
117.03471	1.6
121.02950	1.3
122.03724	0.6
132.02179	2.3
133.02956	40.8
134.03793	4.0
135.04521	28.8
135.05600	0.5
136.01665	13.1
136.04897	0.6
137.02477	2.3
139.11325	0.5
145.02953	1.3
146.03761	0.5
149.06088	2.2
151.04007	10.6
155.03491	0.9
159.04521	1.1
160.01653	1.3
160.05394	0.7
161.02441	100.0
162.02841	2.9
163.03981	0.7
173.04546	9.5
173.06023	0.9
175.04005	2.4
176.04730	1.0
177.01964	1.2
177.05530	3.7
178.02643	0.8
179.03490	17.4
183.10240	1.0
187.04018	0.7
191.05553	0.6
191.07094	0.7
193.05074	1.3
194.99742	0.5
203.03510	1.4
219.06740	0.5
221.04521	3.1
263.05649	0.9
267.06940	0.5
279.06488	0.6
280.05896	0.7
294.08817	0.6
304.40344	0.4
307.08066	0.5
312.09991	0.7
313.10855	1.4
323.07703	24.7
324.08038	1.5
327.12347	1.8
335.07474	0.8
342.11127	0.7
343.11893	2.9
357.15714	3.4
378.13229	0.5
403.49838	0.6
415.44543	0.5
425.21149	0.6
497.12842	0.5
591.54340	0.5
663.19495	0.5
681.21899	66.9
682.22260	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	681.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.4
57.03452	1.2
58.00554	0.9
59.01379	81.3
59.43372	0.6
60.01666	0.6
69.03452	2.3
71.01381	46.9
72.12271	0.6
72.99300	1.5
73.02950	8.2
83.01388	2.6
85.02946	10.0
87.00852	1.9
89.02445	41.9
95.01379	2.4
96.96033	0.7
97.02943	4.4
99.00864	7.2
101.02445	24.0
113.02452	12.1
115.03988	2.0
119.03499	11.5
123.04562	0.7
125.02451	4.1
131.03532	3.1
135.04491	0.8
137.09744	1.9
143.03517	3.0
146.22559	0.7
149.04578	5.0
161.04523	3.1
173.41490	0.6
179.03429	0.8
179.05627	2.3
184.87570	0.7
189.12834	1.8
191.05603	3.4
233.06618	3.0
293.08694	1.9
307.13892	2.1
311.48669	0.7
369.18958	0.8
373.11346	2.6
387.20248	0.8
501.23395	8.1
519.24487	1.5
537.71112	0.7
549.25427	5.7
588.83984	0.7
681.29724	100.0
682.29987	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	683.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36146	0.5
59.01377	6.1
60.99299	3.0
61.98829	1.3
63.02412	0.7
69.03431	0.5
69.09087	3.7
69.40029	0.5
71.01391	4.2
73.02934	1.0
82.04585	0.6
83.18787	0.6
85.02949	2.0
87.00889	0.8
88.98808	11.1
89.02448	2.1
93.03436	1.6
98.21853	1.3
99.00832	0.6
101.02426	2.8
105.03441	1.2
107.01380	1.4
108.32174	0.6
111.04431	0.6
113.02438	1.6
117.03451	2.9
119.03503	1.1
121.02949	1.0
130.20358	0.6
131.19403	0.5
132.02148	1.6
133.02957	14.6
134.03732	1.0
135.04532	15.8
137.02501	0.8
147.04561	0.9
149.02429	1.6
149.06113	1.4
151.00362	1.5
159.04482	1.6
160.24002	0.6
161.02448	45.9
162.02808	1.8
163.03993	0.6
170.00211	0.6
172.05292	1.0
173.04536	1.9
173.05937	0.7
175.03992	1.4
177.01935	2.8
177.05586	1.7
179.03508	11.7
191.05618	3.4
201.05556	0.9
203.03545	1.1
221.04477	3.1
225.05630	1.3
227.03531	2.1
268.03815	1.3
269.04538	100.0
270.04926	5.0
283.13422	3.8
285.03964	1.0
301.14490	0.9
309.14886	0.8
311.09726	2.2
323.07706	15.3
327.12277	1.0
327.15848	0.9
329.13837	1.1
345.17035	1.7
369.13684	0.7
371.15039	3.3
507.19778	0.6
527.83722	0.6
593.12982	77.7
594.13306	8.8
683.24915	9.3
683.38538	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	683.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.9
60.99307	4.9
61.48913	0.8
67.01885	2.6
68.99785	0.8
69.03448	0.9
69.34161	3.8
71.01373	6.2
71.04910	0.7
73.02950	2.6
83.01394	1.5
83.85212	0.8
85.02943	3.2
87.00861	1.1
88.98805	18.9
89.02445	2.3
93.03467	12.6
97.02915	1.1
98.22615	1.6
99.00904	1.1
101.02444	4.7
107.01416	1.6
109.02959	1.8
111.00916	0.8
111.04523	2.4
113.02454	2.4
115.03957	0.7
117.03509	4.9
119.03516	1.3
119.05038	2.8
121.02919	0.9
133.02948	9.5
134.03702	1.0
135.04520	7.1
137.02480	2.6
145.02948	11.1
151.00366	4.4
155.03508	2.4
161.02437	12.2
161.14815	0.8
163.04062	1.4
172.05231	1.0
173.04552	42.5
175.04025	2.1
177.02005	1.0
179.03510	3.7
191.05547	2.2
199.03934	1.8
209.11755	1.1
210.12250	1.0
225.05522	0.8
227.03564	1.1
241.04889	1.7
256.03699	1.0
269.04556	3.5
284.03268	16.5
285.04044	100.0
286.04501	5.3
309.15018	1.2
327.05032	1.1
329.13882	1.4
347.17120	9.2
371.14987	2.8
413.15857	1.3
447.09286	1.7
473.18015	1.2
503.62296	0.9
521.22394	36.0
533.20337	1.5
593.13007	86.5
594.13373	12.4
629.92865	1.0
683.24121	6.0
683.38458	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	683.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.8
69.41962	2.6
69.42368	1.6
71.01382	4.9
93.03450	0.8
96.95984	0.9
98.22592	1.9
108.02182	10.2
109.02958	26.9
115.00366	5.1
121.02934	3.6
123.04533	3.1
124.01685	1.1
133.02971	2.3
135.04521	4.9
136.16605	0.8
147.04494	1.8
148.05281	2.2
149.06094	5.4
161.06104	10.3
162.06837	4.5
163.07655	2.2
165.05527	1.0
179.03493	2.0
181.48807	1.0
203.43613	1.2
213.05556	1.3
216.04294	0.9
218.70230	1.0
225.05656	1.5
226.06297	1.3
241.05058	3.0
242.05844	45.9
243.06612	30.1
244.06912	1.9
253.08650	1.0
269.08224	1.5
271.09756	100.0
272.10077	6.1
315.08707	9.8
359.07486	2.7
368.48154	1.0
405.11691	3.3
433.14880	1.3
477.13989	2.3
521.13068	27.4
522.13312	3.1
683.18201	48.3
684.18665	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	683.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
58.00591	0.5
58.52717	0.3
59.01378	29.2
61.84099	0.3
69.29754	0.9
69.30164	0.6
71.01379	16.2
72.99284	0.4
73.02956	0.7
83.01389	0.9
85.02942	2.6
87.00863	1.0
89.02441	22.7
95.01381	0.8
101.02441	8.2
113.02447	8.0
119.03500	8.7
126.61933	0.3
131.03511	0.9
143.03502	2.2
149.04539	0.7
161.04567	3.0
179.05612	12.6
328.20676	0.3
341.10855	100.0
342.11221	2.3
442.40848	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17239	0.5
59.01381	4.7
61.98826	0.9
62.86184	0.5
65.96976	0.4
67.01862	0.4
69.03482	0.5
71.01377	4.4
73.02946	1.0
77.65571	0.4
80.44286	0.4
83.01395	0.5
85.02943	2.1
86.03288	0.5
87.00893	0.9
88.98848	0.4
89.02445	1.8
93.03457	1.7
95.01398	0.5
96.96024	0.6
101.02441	2.6
105.03444	0.7
107.05059	0.6
109.02961	0.8
111.04489	0.5
113.02451	2.0
117.03477	1.1
119.03496	0.8
121.02999	1.1
130.54424	0.5
132.02153	2.5
133.02959	40.1
134.03815	3.9
135.04530	31.0
136.04921	0.7
137.02438	1.5
147.04529	1.0
149.06078	2.4
155.03474	0.6
159.04494	1.1
160.01646	0.7
160.05273	1.6
161.02446	100.0
162.02768	3.1
163.04051	0.8
173.04570	3.6
173.05910	0.8
175.04036	2.3
175.07655	1.1
177.01921	0.8
177.05574	5.0
178.02711	1.0
178.06435	0.7
179.03487	19.2
191.05600	1.7
192.07927	0.4
193.05008	0.6
203.03552	0.8
220.03845	0.8
221.04488	3.0
229.24818	0.6
255.10280	0.5
263.05490	0.9
269.04556	1.7
269.08203	3.9
271.09634	0.5
280.05899	1.0
283.09802	1.5
283.13422	1.1
285.04156	1.5
299.09314	2.5
311.09265	4.4
312.09979	0.6
314.11612	4.8
315.12366	1.8
323.07715	28.4
324.08029	1.1
326.11600	3.1
327.12347	0.9
329.13922	5.7
341.13873	1.3
349.18686	0.6
369.13483	0.9
371.14966	1.0
509.20483	1.4
521.22296	1.4
521.33423	0.6
683.23456	80.8
683.37720	5.2
684.23889	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	683.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06382	0.5
52.14756	0.5
57.03448	0.6
59.01378	10.1
66.81149	0.5
67.01884	1.9
71.01370	7.2
71.44986	0.6
73.02946	2.5
73.38477	0.5
83.01407	0.7
85.02950	2.2
86.05265	0.6
89.00304	0.5
89.02466	3.0
89.97467	0.5
93.02922	0.9
93.03458	8.4
95.01395	1.0
96.96045	0.6
97.02872	0.7
99.00868	1.0
101.02432	5.7
105.03470	1.3
109.02942	1.5
111.00864	0.7
111.04510	1.9
113.02440	2.7
115.00271	0.6
117.03469	3.0
119.03490	1.1
119.04990	1.0
121.02950	1.3
122.03741	1.3
123.04556	1.3
132.02174	2.2
133.02953	38.4
134.03766	4.1
135.04524	31.9
136.04869	0.7
137.02434	3.6
139.03964	0.6
145.02948	4.6
147.04530	0.9
148.05295	0.8
149.02419	0.6
149.06177	1.2
150.03259	0.7
151.03996	0.8
155.03522	1.3
156.79524	0.5
159.04498	2.9
160.01648	1.0
160.05292	5.8
161.02440	100.0
161.05991	2.6
162.02740	3.1
163.04018	1.5
173.04546	28.2
173.05934	1.1
174.05070	0.7
175.04010	2.1
175.07616	2.8
177.01930	4.0
177.05566	3.5
178.02579	0.9
178.06332	2.5
179.03484	21.9
185.11758	0.5
189.05649	0.6
190.06363	0.6
191.05588	2.1
192.07860	0.9
193.05083	1.4
203.03528	1.0
205.05016	1.0
221.04613	2.3
221.70512	0.6
263.05615	0.9
264.60828	0.6
265.66254	0.5
269.04623	2.4
285.04019	1.5
285.11145	0.7
307.08139	3.2
315.12411	2.5
317.22458	0.5
323.07736	13.5
324.07813	0.9
327.12473	1.3
329.13846	3.5
341.13977	0.6
347.17081	5.4
348.17422	0.7
349.18488	1.0
359.11307	4.7
360.00507	0.6
369.13293	0.9
521.16278	5.2
521.22485	23.9
522.22681	1.6
545.22791	0.5
573.89813	0.6
622.39178	0.6
645.27765	0.7
653.13251	0.7
653.22369	33.7
654.22461	3.6
665.22089	3.7
683.23486	34.2
683.38440	8.0
684.23804	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	683.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57085	0.5
56.41286	0.5
59.01375	4.9
69.16525	1.4
69.16931	1.8
71.01395	3.3
71.01706	0.8
72.91795	0.5
73.02949	1.2
85.02928	1.9
87.00846	0.6
89.02403	2.3
92.45511	0.5
93.03435	0.8
96.95999	0.9
98.21901	1.4
99.00820	0.7
101.02457	3.2
105.03446	0.8
113.02447	1.2
117.03422	1.9
121.02888	1.3
123.04478	0.6
132.02185	2.3
133.02957	34.9
134.03784	6.4
135.04524	40.4
136.04803	0.6
137.02438	1.8
139.04004	0.8
145.02905	0.8
147.06631	2.2
149.06055	0.6
150.03140	0.5
160.01671	1.1
161.02446	100.0
162.02782	2.7
163.04070	0.6
173.04543	1.2
175.04033	4.5
178.02663	1.1
179.03490	23.3
180.03969	0.7
191.05666	2.4
193.05014	0.5
221.04402	0.7
251.05719	1.0
252.06093	0.7
269.04697	0.9
285.04056	4.5
286.04492	0.6
299.79852	0.5
307.76486	0.5
323.07593	1.3
329.14255	0.8
341.13965	0.7
375.05402	0.7
476.17386	1.2
477.18103	1.6
491.19699	1.0
521.22571	0.9
547.18524	0.9
593.13800	1.4
653.22375	20.1
654.23688	1.8
665.22284	15.4
666.23743	1.5
683.29962	35.7
684.29822	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57761	1.1
55.01861	1.8
57.03442	2.3
59.01378	21.9
60.97921	1.0
63.58436	0.9
65.78207	1.0
67.01876	2.1
69.03444	1.7
69.24370	4.1
71.01381	18.6
73.02939	10.5
81.03432	1.6
83.01381	6.8
83.05031	4.4
84.80614	0.9
85.02958	10.8
86.00065	1.0
87.00875	3.5
88.98849	1.0
89.02428	3.5
93.03463	12.8
94.94279	0.9
95.01390	1.7
95.05033	1.7
99.00857	2.0
101.02442	23.3
107.05053	1.6
109.02944	2.5
111.00887	2.0
111.04517	16.2
113.02448	9.4
119.03468	1.0
127.04008	1.7
129.01944	1.7
133.02969	9.3
134.03714	4.2
135.04529	56.8
136.04799	1.4
137.02455	12.7
145.02940	1.9
146.03714	2.4
153.09204	1.6
155.03503	26.6
159.02988	1.4
161.02448	37.1
161.04523	2.3
162.02716	1.3
173.03046	2.2
173.04543	41.2
177.01842	1.3
179.03508	33.4
179.07104	1.7
185.11871	1.5
191.05626	5.7
197.08174	1.2
203.03542	3.6
206.26570	1.0
211.07639	1.5
236.84909	1.1
299.05563	1.7
307.08035	1.5
335.07697	18.4
336.08221	1.1
347.17117	35.7
348.17285	2.0
359.13065	1.5
503.21347	24.3
504.21838	2.0
520.21436	1.2
521.22260	16.6
522.22430	1.6
624.65027	1.0
683.25598	100.0
683.38196	7.8
684.25757	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	683.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36260	0.6
53.68048	0.7
55.01888	0.9
57.03440	1.5
58.00604	0.7
59.01382	19.5
61.98824	2.0
67.01882	4.0
67.58907	0.8
69.03458	1.8
71.01385	17.2
73.02940	4.2
81.03474	1.2
83.01364	2.0
83.05038	2.5
85.02949	7.1
86.61099	0.7
87.00887	2.4
88.98817	0.7
89.02460	7.0
91.07237	0.8
93.03457	28.4
94.03796	0.8
95.01385	1.0
96.96012	1.2
99.00882	1.6
101.02447	11.3
109.02956	2.3
111.04520	8.3
113.02438	4.5
117.03434	1.3
119.03497	2.0
127.04031	1.0
129.01979	0.9
132.02173	1.4
133.02956	13.0
134.03711	1.8
135.04532	23.9
136.04855	1.4
137.02441	11.3
139.11307	1.0
142.41374	0.7
145.02904	1.1
149.06073	0.7
155.03500	10.0
160.01675	2.2
160.05371	0.8
161.02449	55.7
161.04587	1.9
162.02773	2.0
173.04552	100.0
174.04875	2.5
177.01894	1.0
179.03484	16.3
179.07152	0.8
180.03876	1.2
185.11832	21.8
191.05618	4.6
200.19138	0.7
203.03462	1.5
242.05865	1.2
269.04605	2.8
283.76495	0.7
285.04132	2.7
307.08417	1.2
323.07703	35.2
324.07858	2.1
335.07712	9.1
341.08884	4.3
347.17090	8.8
359.17111	48.8
360.17447	2.4
369.13394	2.1
371.14697	0.8
497.13104	4.0
503.21347	5.4
521.22516	9.1
521.33429	3.0
522.21948	1.2
623.38397	1.2
665.23199	1.0
683.25562	54.2
683.38568	24.8
684.25952	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	683.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36205	0.3
55.01891	0.5
55.73318	0.3
56.30053	0.3
57.03442	1.2
59.01376	6.7
67.01892	3.7
69.03466	1.0
69.74197	1.3
71.01384	6.8
73.02944	1.9
81.03451	1.2
83.01402	1.6
83.05029	1.0
85.02947	2.8
86.00074	0.6
87.00890	0.9
89.02456	0.6
93.03458	26.9
98.21881	0.6
99.00872	0.9
101.02446	6.1
109.02950	0.8
111.00884	1.3
111.04525	5.9
113.02438	2.9
133.02907	0.6
137.02422	4.4
143.03488	0.4
155.03514	6.0
161.02423	1.4
161.04567	0.5
173.04546	100.0
174.04857	2.5
189.20401	0.4
267.62851	0.4
315.49103	0.4
329.70685	0.4
347.17081	20.1
348.17380	1.4
376.63501	0.5
521.22382	78.6
522.22754	8.5
536.16272	0.4
683.25714	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.6
57.03460	1.4
59.01380	17.6
67.01901	0.7
68.99808	0.6
69.03467	1.0
69.27842	1.9
71.01381	14.2
72.22137	0.3
72.99339	0.3
73.02946	7.6
75.00891	0.5
81.03474	0.5
83.01386	5.0
83.05051	0.9
85.02953	9.2
85.03453	0.6
86.00126	1.5
87.00877	1.5
89.02435	2.8
89.02885	0.3
93.03455	5.7
94.03820	0.4
95.01398	1.3
95.05050	1.3
97.02976	0.7
99.00892	2.4
101.02444	19.6
111.00907	0.9
111.04518	4.3
113.02446	6.8
119.03529	1.0
125.02451	0.6
127.04041	1.2
129.01962	0.8
133.02950	2.9
135.04549	2.0
137.02475	1.3
139.00410	0.5
143.03503	0.8
145.02946	0.6
155.03494	4.9
159.02998	0.8
161.02448	9.4
161.04436	1.8
162.02809	0.9
173.04546	17.7
174.04857	0.9
177.01802	0.4
179.03520	1.2
185.11852	1.5
191.05640	1.1
241.07111	0.5
269.04480	0.4
303.18176	0.8
307.08078	0.5
323.07648	0.5
324.07822	0.4
325.08231	0.6
335.07767	2.1
347.17108	44.0
348.17419	3.1
358.15900	0.4
359.27914	0.4
485.65112	0.4
509.20532	1.8
521.22394	100.0
522.22717	9.8
657.37042	0.3
683.25525	4.6
683.38629	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	683.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31117	0.5
57.26181	0.5
57.56844	0.5
59.01381	5.1
59.70232	0.5
61.98800	0.5
64.52905	0.5
70.51024	0.9
71.01379	4.5
73.02931	1.3
83.01395	0.6
85.02943	1.7
85.91084	0.5
89.02428	1.8
93.03441	1.0
96.96004	1.2
98.22022	0.6
99.00874	1.1
101.02438	3.8
105.03458	1.1
107.05014	1.8
109.02955	0.9
113.02448	1.6
117.03467	2.0
121.03014	1.0
123.04546	0.8
125.02411	0.5
132.02141	2.8
133.01892	1.0
133.02959	44.0
134.03787	8.4
135.04527	65.0
136.04878	2.0
137.02446	1.5
144.14453	0.5
145.02956	0.8
147.06618	1.6
151.00378	0.6
160.01663	1.9
161.02451	100.0
162.02782	3.5
173.04581	1.2
175.04024	2.4
177.05588	0.7
178.02730	0.9
179.03502	29.6
180.03836	1.2
187.04182	0.6
191.05647	0.7
196.15196	0.5
269.04437	0.6
285.03992	3.8
305.78497	0.7
315.12665	0.7
329.13797	0.9
347.17398	0.6
477.17664	1.1
489.18329	0.6
491.19562	1.5
503.19736	0.7
551.25165	0.7
559.02850	0.6
593.13556	1.3
653.22400	17.3
654.23059	2.6
665.22424	13.1
665.33325	1.1
666.23383	2.2
683.29657	58.1
684.29962	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	683.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01700	1.1
55.01986	2.4
57.03247	1.1
57.03565	2.6
58.00683	0.6
59.00974	1.7
59.01500	38.3
61.98943	1.6
66.54309	0.5
67.02018	1.6
68.99925	1.0
69.03586	1.8
69.72765	2.0
71.00833	1.2
71.01524	32.4
72.01857	0.6
72.99429	1.3
73.02632	2.8
73.03094	11.5
75.00981	1.2
81.03582	1.0
82.95515	1.1
83.01000	1.5
83.01554	6.6
83.05187	1.6
85.01992	0.6
85.02543	3.5
85.03118	17.1
86.00257	1.7
87.00471	1.3
87.01054	3.5
88.98927	1.2
89.02014	2.6
89.02621	12.5
93.02976	2.1
93.03634	11.0
94.03957	0.7
94.28477	0.5
95.01576	3.7
95.04617	0.9
95.05210	2.2
96.95584	0.8
96.96158	1.5
97.03094	1.3
98.02613	0.6
99.01068	4.2
101.01891	5.3
101.02635	33.8
102.02921	1.0
109.03130	1.6
111.01088	2.8
111.03887	0.9
111.04714	6.6
113.01796	1.8
113.02650	14.6
114.02981	0.6
115.00529	0.9
116.01237	0.5
116.92979	1.0
117.03597	1.2
119.03716	4.9
119.05148	1.2
119.40041	0.6
121.02381	0.7
121.03164	1.9
122.02612	1.2
123.04660	1.0
125.02634	1.6
127.04197	0.8
129.02106	1.4
133.01530	0.7
133.02115	0.8
133.03180	8.1
134.03961	1.8
135.03624	1.3
135.04749	11.8
136.04974	0.8
137.02661	5.1
141.02156	0.7
143.03725	1.6
145.03195	2.3
146.03902	0.6
149.02638	1.1
149.04865	0.7
149.06268	0.9
150.03311	0.8
151.00549	0.9
153.09555	0.6
155.03740	7.3
159.03265	1.3
159.04648	1.3
160.95915	0.7
161.01250	1.5
161.02696	22.1
161.04802	4.0
161.06230	1.3
161.35199	0.5
162.03047	1.6
163.04233	0.9
164.04906	0.9
165.05818	0.6
173.03171	2.3
173.04546	35.3
174.05148	2.6
175.05350	0.9
177.01935	4.5
177.05785	0.7
178.02805	0.7
179.03519	8.3
179.05803	1.2
179.07304	1.0
180.04044	0.7
185.12106	2.3
187.13547	0.6
191.05609	6.0
193.05275	1.0
205.71201	0.6
225.11543	0.7
239.07330	0.6
243.06850	0.8
269.04852	1.9
270.25909	0.6
285.04059	3.2
286.04639	1.2
303.18304	1.0
323.07932	1.6
324.08200	0.6
325.08411	1.1
335.07578	3.8
336.92609	0.6
347.17090	47.7
348.17380	4.4
357.15527	0.8
358.16245	1.1
359.16382	1.1
359.28003	4.4
360.28561	0.7
383.09769	0.7
429.27808	0.6
485.13171	2.0
509.20529	1.3
520.14642	0.8
521.22516	100.0
521.33258	5.8
522.22943	12.8
548.26251	0.6
665.18787	1.0
683.25684	9.9
683.38544	76.1
684.27441	1.5
684.38959	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	684.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79332	0.6
54.32165	0.6
54.58804	0.6
54.61861	0.7
61.98806	1.7
73.78116	0.7
78.95895	1.8
83.98787	0.6
88.57883	0.7
112.50481	0.6
121.64716	0.7
137.53523	0.7
152.99557	2.5
160.38228	0.7
162.80045	0.7
184.97679	0.7
204.77019	0.7
277.21701	0.8
437.12405	0.9
438.13297	3.9
439.13477	0.9
452.14737	1.7
480.14426	1.1
481.15195	35.2
482.15482	7.1
495.16650	8.5
496.17072	2.1
525.14288	1.5
539.15875	2.0
540.09656	0.7
540.16479	18.2
541.16638	3.3
554.17957	4.1
555.18805	62.2
556.19012	13.4
572.15527	10.9
573.15436	2.4
586.16779	2.3
641.22546	27.7
641.33344	1.5
642.22559	6.2
682.04742	0.9
684.23090	100.0
685.23315	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58051	1.9
59.01120	2.3
59.01378	35.7
59.95730	2.1
60.99300	12.6
61.98814	5.8
68.99804	4.1
69.03454	5.6
69.13475	7.3
69.13893	7.2
71.01382	20.9
72.99306	2.3
73.02941	5.1
75.00851	2.8
80.09671	2.4
83.01389	2.0
84.95080	2.4
85.02927	8.2
87.00851	5.7
88.98270	4.5
88.98804	74.9
89.02461	13.8
93.03455	5.4
96.95994	2.7
101.02460	16.7
109.02954	5.8
113.02451	11.7
115.00348	2.8
116.92819	3.8
119.03490	2.6
121.02913	3.8
122.06142	2.9
123.04436	4.2
125.02486	2.9
127.04041	3.4
133.01424	3.0
133.02931	7.9
134.03717	3.3
135.04536	26.3
137.02403	3.5
149.05992	4.1
150.03174	5.1
153.01834	4.7
155.10812	2.2
158.06044	5.1
159.04478	2.4
160.04037	3.9
161.02435	27.3
161.04607	4.5
161.06055	2.5
162.02821	2.9
163.03995	2.4
165.05530	7.0
173.04608	8.8
177.05418	4.4
179.03487	14.7
186.05602	42.5
188.07204	3.3
191.05554	13.6
198.05647	16.7
212.07092	6.4
214.08788	2.3
217.00179	2.9
221.04544	3.7
240.06569	7.2
240.10321	3.9
241.07294	6.2
242.08304	11.0
243.11276	2.9
250.08723	2.4
251.05347	2.6
252.10370	2.7
253.05984	2.8
264.10306	3.2
267.07736	11.2
268.08347	2.5
269.04532	2.6
269.09085	3.9
281.06537	4.7
281.09344	4.8
282.09781	4.4
283.10895	34.9
285.03793	4.0
285.12589	2.6
292.09702	3.4
295.10602	6.8
337.11859	4.8
341.08542	3.7
365.14792	9.8
371.14801	3.9
409.13770	9.9
595.19824	2.7
641.23431	18.3
685.22180	100.0
685.39734	25.4
686.22614	9.4
691.03943	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	685.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20542	0.3
56.87414	0.3
57.58032	0.3
59.01379	6.8
65.32118	0.4
71.01385	3.8
72.99296	0.5
73.02945	1.6
77.03985	0.4
83.01366	0.5
85.02957	1.4
87.00882	0.7
88.66189	0.4
89.02438	1.8
89.03952	0.6
91.05551	0.4
93.03448	0.5
95.01392	0.4
97.02934	0.6
101.02425	2.7
105.03452	1.1
109.02929	0.5
113.02449	1.2
115.01904	0.5
117.03464	1.7
119.03503	1.1
121.02924	0.5
122.03731	1.5
123.04538	0.8
132.02177	3.8
133.02956	44.8
134.03827	2.5
135.04526	13.7
136.04886	0.5
137.02451	0.8
147.04526	1.5
149.06067	0.6
151.06087	0.7
155.03580	0.6
158.03694	0.4
159.04549	0.7
160.01680	2.9
161.02443	100.0
162.02777	3.5
164.04730	0.5
165.05598	2.8
172.05289	1.4
173.04549	1.3
174.03261	2.1
175.03996	5.9
177.02043	0.4
177.05658	0.7
178.02689	1.0
179.03493	5.5
179.07114	0.5
187.04002	0.8
191.05635	0.7
191.07205	0.6
193.05025	0.9
206.91237	0.4
209.02771	0.5
209.11830	4.4
221.04613	0.4
227.03632	0.5
227.12894	1.7
251.05762	0.5
281.06400	0.7
281.15427	0.8
283.13492	2.1
285.04037	0.5
299.16617	0.8
301.14569	2.4
309.14899	3.0
309.17743	0.3
310.15076	0.4
311.12610	0.4
327.15900	2.4
329.13870	8.5
330.14291	0.9
341.08807	0.5
343.15372	0.7
345.17139	0.5
346.14117	0.6
347.15015	1.2
353.13858	0.9
361.16431	3.3
371.14984	5.0
427.86584	0.4
449.28043	0.6
474.13852	0.4
491.19241	0.7
509.20316	2.5
523.21997	0.5
659.98578	0.4
667.26056	7.3
668.26135	0.8
685.25079	59.7
686.25372	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	685.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.7
59.01376	13.9
61.98820	2.7
67.01879	4.9
68.99786	0.9
69.03441	1.7
71.01381	12.6
73.02933	2.1
78.95889	1.0
81.03452	1.3
81.14482	0.5
83.01385	1.9
83.05025	1.5
83.92079	0.5
85.02937	3.2
85.22553	0.6
87.00864	1.9
88.98787	1.6
89.02445	4.1
93.03456	24.6
95.01381	1.7
96.96014	1.0
97.02978	0.8
99.00926	1.4
101.02431	6.6
105.71600	0.6
109.02941	2.2
111.00850	1.5
111.04518	7.2
113.02451	2.5
116.92821	0.8
117.03452	1.1
119.03478	1.8
121.02969	0.8
123.04488	0.6
125.02455	0.9
129.01888	0.6
130.45937	0.6
132.02223	1.1
133.02946	11.8
133.03873	1.1
134.03670	3.0
135.03497	1.3
135.04524	18.2
136.04828	2.4
137.02464	6.8
147.04572	0.8
149.06058	1.8
155.03479	6.1
155.10794	1.2
159.04532	0.7
161.02437	27.7
162.02795	6.7
163.02925	2.1
163.04114	1.1
165.05600	1.0
169.12346	0.6
172.05270	3.0
173.04543	86.6
174.04863	1.7
176.54947	0.6
177.05568	2.7
178.05998	0.6
179.03490	15.3
180.03809	1.2
185.06001	0.7
187.13390	19.6
188.13766	0.9
191.05640	3.5
199.04076	0.8
200.04745	1.0
221.04570	2.2
227.03510	2.7
228.04254	1.7
258.58420	0.7
265.07181	0.9
283.13397	9.8
284.13770	0.9
301.14502	2.7
309.07626	2.2
309.14792	0.8
311.12842	1.8
323.07684	2.5
324.08075	2.0
325.08148	1.1
327.12378	6.1
327.16013	1.0
329.13843	1.1
341.09039	0.7
345.13260	1.7
349.18661	52.9
350.18948	3.2
353.13913	1.6
371.14893	8.2
372.14874	0.8
479.19614	1.0
488.04849	0.7
489.10776	2.1
505.15247	1.0
522.21472	0.6
523.23987	100.0
524.24310	7.5
625.21558	0.8
641.24469	6.9
685.25195	20.7
685.40082	4.8
686.25153	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	685.272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49982	1.6
52.45155	1.7
59.01377	23.6
61.98833	35.1
69.03456	2.3
69.19689	10.0
71.01380	17.5
72.99308	2.3
73.02937	4.5
83.01392	3.3
84.66290	1.8
85.02960	5.6
87.00877	10.2
88.98780	3.9
89.02435	10.4
92.90848	2.0
93.03442	3.2
95.05036	2.4
97.03004	2.7
97.86067	1.6
98.21796	2.1
99.00854	2.5
101.02448	10.4
105.03449	4.5
109.02955	3.8
111.00871	2.2
113.02450	5.5
113.93513	1.8
116.92828	3.8
121.02940	6.2
132.02156	4.6
133.02959	51.5
134.03745	48.0
135.04535	44.6
137.02449	25.6
139.04053	9.8
145.33284	2.0
147.04535	3.2
148.05296	6.1
149.02467	2.5
149.06068	3.1
150.03233	5.0
150.06813	1.7
151.04056	4.3
151.06107	5.7
155.03404	3.4
158.12566	1.9
159.04514	2.3
160.01610	6.4
161.02454	53.0
161.04486	3.8
162.03047	2.7
162.79430	1.9
163.04082	2.1
172.05299	2.3
173.04610	3.7
173.06009	2.3
174.03203	4.0
175.03992	2.5
177.01907	4.1
177.05585	12.6
178.02701	33.4
179.03499	60.1
181.05089	3.6
183.76292	2.4
187.04037	2.4
187.29613	1.9
191.05579	6.1
199.03900	2.1
211.13359	4.5
221.04549	11.9
223.06078	4.5
226.85286	1.7
228.04117	2.1
251.05704	9.6
255.02939	2.1
269.04507	2.8
281.06693	16.5
283.13367	5.0
285.04135	3.2
309.14929	5.8
311.13013	2.4
327.16080	9.1
329.13943	23.4
340.47180	2.0
341.08768	4.1
343.15244	2.4
345.16992	6.6
353.13931	6.4
357.13214	2.4
371.14996	55.6
372.15359	2.8
383.09927	18.6
389.16290	2.6
473.12717	13.9
474.13745	100.0
475.14188	10.0
485.32367	7.5
487.34293	25.1
523.20020	4.8
625.39124	5.0
641.23907	4.5
647.36316	21.2
648.37012	4.5
649.36694	4.5
667.25970	16.4
668.25934	2.3
685.26984	61.4
685.37073	16.7
686.27588	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	685.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.7
59.01376	13.9
61.98820	2.7
67.01879	4.9
68.99786	0.9
69.03441	1.7
71.01381	12.6
73.02933	2.1
78.95889	1.0
81.03452	1.3
81.14482	0.5
83.01385	1.9
83.05025	1.5
83.92079	0.5
85.02937	3.2
85.22553	0.6
87.00864	1.9
88.98787	1.6
89.02445	4.1
93.03456	24.6
95.01381	1.7
96.96014	1.0
97.02978	0.8
99.00926	1.4
101.02431	6.6
105.71600	0.6
109.02941	2.2
111.00850	1.5
111.04518	7.2
113.02451	2.5
116.92821	0.8
117.03452	1.1
119.03478	1.8
121.02969	0.8
123.04488	0.6
125.02455	0.9
129.01888	0.6
130.45937	0.6
132.02223	1.1
133.02946	11.8
133.03873	1.1
134.03670	3.0
135.03497	1.3
135.04524	18.2
136.04828	2.4
137.02464	6.8
147.04572	0.8
149.06058	1.8
155.03479	6.1
155.10794	1.2
159.04532	0.7
161.02437	27.7
162.02795	6.7
163.02925	2.1
163.04114	1.1
165.05600	1.0
169.12346	0.6
172.05270	3.0
173.04543	86.6
174.04863	1.7
176.54947	0.6
177.05568	2.7
178.05998	0.6
179.03490	15.3
180.03809	1.2
185.06001	0.7
187.13390	19.6
188.13766	0.9
191.05640	3.5
199.04076	0.8
200.04745	1.0
221.04570	2.2
227.03510	2.7
228.04254	1.7
258.58420	0.7
265.07181	0.9
283.13397	9.8
284.13770	0.9
301.14502	2.7
309.07626	2.2
309.14792	0.8
311.12842	1.8
323.07684	2.5
324.08075	2.0
325.08148	1.1
327.12378	6.1
327.16013	1.0
329.13843	1.1
341.09039	0.7
345.13260	1.7
349.18661	52.9
350.18948	3.2
353.13913	1.6
371.14893	8.2
372.14874	0.8
479.19614	1.0
488.04849	0.7
489.10776	2.1
505.15247	1.0
522.21472	0.6
523.23987	100.0
524.24310	7.5
625.21558	0.8
641.24469	6.9
685.25195	20.7
685.40082	4.8
686.25153	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	685.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39331	0.4
59.01377	6.4
59.53847	0.5
59.57201	0.4
61.98828	3.2
69.03466	1.0
71.01386	6.0
73.02941	2.4
75.23214	0.5
83.01412	0.8
83.01917	0.6
85.02958	2.1
87.00882	0.9
89.02450	3.4
93.03472	1.2
96.96009	1.6
98.22654	1.4
99.00868	0.9
101.02436	5.2
105.03462	0.8
107.05055	0.8
109.02995	0.8
111.04576	0.6
113.02465	2.3
116.92877	0.6
117.03433	1.3
119.03531	0.8
123.04514	0.9
125.02356	0.5
132.02155	1.4
133.02957	27.0
134.03741	9.3
135.04526	51.0
136.04869	1.8
137.02429	3.1
139.03929	1.0
149.06071	1.4
150.06845	0.6
151.00368	1.0
152.69026	0.6
153.01927	0.6
161.02441	81.5
162.02805	2.4
165.05585	0.6
173.04535	1.7
178.02722	1.1
179.03493	28.6
180.03806	1.1
191.05602	1.6
193.05060	1.1
206.97255	0.5
215.12813	0.5
269.04306	0.7
284.03262	0.5
285.04037	1.4
286.04425	1.1
287.56613	0.6
329.54242	0.5
371.14960	1.0
383.09412	0.6
392.86420	0.6
405.71793	0.6
469.29474	0.8
474.14139	0.9
487.30576	7.2
488.30756	0.8
523.16370	1.2
523.34357	0.8
553.26416	3.1
595.13495	1.3
623.13452	0.9
649.20599	2.6
667.26208	1.0
685.30664	100.0
686.31042	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	685.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
60.43017	0.2
61.98827	0.5
63.02402	1.1
65.00318	1.2
69.43186	0.9
77.79614	0.2
83.01387	0.9
98.21882	0.4
105.03452	0.4
107.01392	2.8
109.02945	0.4
121.02938	0.5
125.02472	0.4
133.02942	4.1
134.03723	0.9
135.04517	0.7
148.01663	0.5
149.02420	1.3
151.00377	5.6
152.99567	0.3
169.01421	0.5
171.04504	0.3
175.04010	2.2
183.04520	0.4
185.06006	0.4
188.04669	0.3
189.05534	0.3
197.06071	0.3
198.03163	0.3
199.04031	2.0
200.04811	0.5
201.01907	0.5
204.04100	0.2
211.03989	0.9
212.04744	0.3
213.05597	0.4
215.03447	0.4
217.05139	1.2
226.02835	0.3
227.03537	1.4
228.04016	0.3
229.05078	0.3
239.03647	0.5
241.05124	0.9
243.02940	0.7
255.03065	0.9
256.03741	3.7
267.02982	0.6
283.02420	0.6
284.03256	56.6
285.04022	100.0
286.04407	5.2
287.05688	1.1
297.04001	0.9
299.05392	0.4
327.05206	1.2
447.08975	0.3
502.77225	0.3
685.32220	80.9
686.32562	9.5
686.44519	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20947	0.5
57.03440	0.8
59.01378	6.6
61.98833	7.0
68.99821	0.7
69.03457	0.8
71.01376	5.0
71.28070	0.6
71.28465	0.5
72.99319	1.0
73.02943	1.6
83.01385	0.8
85.02935	1.7
85.10561	0.5
87.00850	2.3
88.98791	1.2
89.02449	3.7
93.03466	0.6
96.96000	0.8
97.84483	0.5
99.00878	1.2
99.69357	0.5
100.99964	0.5
101.02448	4.3
103.00404	0.8
105.03452	1.1
107.05014	0.8
109.02963	0.8
111.00891	0.7
113.02445	2.1
116.92831	0.7
119.03465	1.1
120.00713	0.5
121.02950	1.0
121.06585	0.6
125.02439	0.7
132.02185	0.8
133.02037	0.7
133.02965	11.2
134.03757	5.7
135.04543	9.4
135.08098	0.5
136.05284	0.6
137.02483	4.1
139.03970	0.8
148.05347	0.8
149.02383	0.5
149.06078	3.6
150.03221	1.2
150.06870	30.8
151.00360	0.8
151.03979	1.5
151.06075	0.8
151.07184	1.3
160.01689	0.6
161.02444	20.2
161.09625	0.8
162.02812	1.4
162.06851	1.1
163.07637	7.7
164.08420	5.1
165.09111	0.7
173.04578	1.1
173.08235	1.1
176.08337	0.6
177.01952	1.5
177.05550	1.5
177.09204	1.4
178.02696	3.6
178.09982	1.4
179.03508	9.5
179.05203	0.8
179.10767	13.3
180.11122	0.7
181.04974	0.6
187.09746	0.7
191.05597	1.9
195.06676	0.6
211.13409	0.7
221.04489	1.9
249.18512	0.9
251.05614	1.9
269.04288	1.1
281.06638	2.8
284.03253	0.9
285.04068	4.7
309.14783	0.6
313.20206	3.0
319.68347	0.6
327.16013	0.6
329.13931	2.0
334.39511	0.5
341.22971	0.6
343.21301	0.8
345.16956	1.0
353.14197	0.6
371.14978	5.0
372.15289	0.6
383.09811	1.8
407.14511	0.5
425.34323	0.5
429.29962	1.4
432.28687	1.4
460.31979	1.0
461.32062	0.6
462.29871	2.0
469.29440	0.6
473.12793	2.6
474.13843	11.9
475.14133	1.6
475.30768	0.9
476.31314	1.4
477.32211	4.6
478.32773	0.7
487.30054	0.6
487.34598	0.6
492.30930	0.7
493.31805	8.0
494.31747	1.1
505.31393	0.6
522.31946	3.3
523.32709	13.7
524.33032	1.2
625.37836	2.5
628.18512	0.5
649.38171	1.9
667.26050	1.5
685.26880	9.7
685.37939	100.0
686.27222	2.2
686.38177	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	685.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34150	0.4
58.00583	0.5
59.01377	8.8
61.98820	1.8
69.03451	0.5
69.92934	1.3
71.01376	3.1
73.02934	0.9
85.02967	1.2
87.00871	1.3
88.98803	1.7
89.02451	3.5
97.06575	0.6
98.21921	0.5
99.04519	0.6
101.02431	2.3
111.08172	0.7
113.02443	1.5
119.03468	0.6
123.08162	1.5
133.02953	4.3
134.03732	1.4
135.04553	3.3
137.02374	0.7
146.23361	0.5
149.06071	1.4
150.06863	26.4
151.07460	0.8
161.02441	13.2
161.09935	0.4
162.02885	0.8
162.06912	0.8
163.07637	4.4
164.08420	4.7
178.02663	1.2
178.09966	1.7
179.03494	4.0
179.10770	14.7
180.11090	0.6
195.06456	0.5
197.22484	0.5
229.10655	1.0
251.05595	1.0
253.93964	0.5
281.06754	0.6
285.04089	0.7
320.19894	1.2
335.22223	1.3
341.23303	1.1
343.21103	3.2
364.22577	1.1
371.14932	2.0
393.43939	0.5
443.31534	0.8
445.29556	1.6
459.31427	0.8
462.29935	1.8
473.12442	0.7
474.13882	3.4
477.32281	5.3
478.32831	0.8
487.30804	0.7
504.31036	1.5
505.31564	3.4
522.31812	2.3
523.32745	21.1
524.33368	2.7
685.38043	100.0
686.38403	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	685.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38878	0.4
59.01383	2.6
59.57436	0.4
61.12849	0.4
61.98819	1.4
65.64978	0.5
71.01369	1.7
73.02948	1.1
85.02947	1.1
85.81491	0.5
86.06068	0.5
87.00876	1.1
88.98811	0.8
89.02432	1.2
95.01346	0.4
95.05024	0.7
97.06593	1.7
98.21767	1.1
99.04520	0.6
101.02449	2.1
111.04485	0.5
111.08121	0.5
113.02470	0.8
123.08154	1.5
132.02165	0.5
133.02982	3.6
134.03720	2.0
135.04547	3.7
135.08139	0.5
137.02361	0.7
139.04054	0.4
141.09192	0.6
148.05290	0.9
149.06079	1.9
150.06866	33.7
151.07259	1.1
153.64548	0.5
160.01634	0.8
161.02455	6.9
161.09695	0.6
162.06870	0.7
163.07626	7.0
164.08423	6.2
165.08977	0.8
176.08389	0.8
177.01926	0.5
177.05640	0.7
177.09090	0.9
178.02640	1.1
178.09949	1.8
179.03490	3.0
179.10771	18.0
180.11217	0.5
221.04491	0.6
229.10753	1.2
251.05548	0.5
281.06628	0.6
285.03967	0.7
309.15076	0.8
320.19907	1.2
325.14584	0.8
327.16107	0.6
335.22076	1.0
341.08670	0.5
341.23276	1.1
343.15231	0.8
343.21347	3.4
364.22568	1.7
371.14893	2.4
393.26248	1.1
441.29819	1.0
459.31332	0.9
462.29724	2.2
473.13181	0.7
474.13791	3.8
477.32211	6.0
478.31714	0.7
504.30698	1.1
505.31586	1.8
522.16943	0.5
522.32013	2.7
523.32764	23.3
524.33221	1.6
532.97382	0.6
639.39105	0.7
667.25934	0.6
685.27673	5.1
685.38019	100.0
686.26794	1.1
686.38171	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83656	0.2
59.01377	2.8
65.00326	0.6
67.01864	0.2
68.99809	0.2
69.03445	1.0
69.26796	1.3
71.01390	1.5
73.02956	0.3
75.56231	0.2
78.66853	0.2
81.03445	0.5
81.43321	0.3
83.24765	0.2
85.02943	1.1
88.98796	0.3
89.02441	1.1
91.01879	2.5
92.07652	0.2
93.03479	0.4
101.02460	1.4
108.02174	19.8
113.02454	0.4
119.03511	0.6
119.05035	0.9
121.02909	0.2
122.74632	0.2
123.04527	17.2
124.04903	0.4
129.01962	2.2
133.03001	0.3
133.06612	1.1
135.04498	0.5
135.34245	0.2
147.02989	0.3
151.07703	0.5
152.01157	24.4
153.01457	0.4
153.05577	0.5
155.03598	0.3
161.02449	1.3
163.04005	1.6
167.03494	100.0
168.03819	3.2
171.07162	0.3
174.30801	0.3
177.05531	0.8
179.03549	0.3
179.05614	0.5
191.05583	1.0
195.06673	0.3
206.11832	0.4
208.38141	0.3
227.74500	0.3
235.04474	0.2
293.06686	0.3
294.09848	0.4
298.34125	0.2
319.28589	0.3
329.08777	6.7
357.11765	1.8
358.12219	0.4
394.58328	0.2
525.16046	7.6
526.16321	1.0
556.18188	0.3
627.28632	1.2
687.23291	0.3
694.88141	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.4
61.98833	10.4
65.00319	0.8
68.99821	1.1
69.26382	3.2
71.01390	4.0
73.02965	1.2
82.95422	0.8
83.01371	0.9
85.02948	1.4
87.00878	1.0
89.02451	2.5
93.03442	0.9
94.69595	0.6
101.02449	4.1
107.01401	2.1
113.02496	0.9
116.92865	0.7
119.03506	1.2
125.02435	0.9
127.04036	0.9
131.46092	0.7
133.02979	2.8
134.03731	1.9
135.04524	4.4
137.02498	1.3
148.05290	1.2
151.00389	5.3
155.03493	1.1
159.04477	1.4
161.02472	3.6
173.04549	1.0
177.01953	0.8
178.02637	1.2
179.03493	2.5
187.04124	0.7
191.05585	3.1
199.01958	0.9
199.03824	0.7
203.03311	0.6
211.09770	0.9
221.04646	0.7
225.05820	0.7
246.06670	0.6
255.02950	0.9
269.04492	4.5
270.05505	1.1
281.04214	0.9
281.09268	1.2
282.05350	1.8
283.02563	1.1
283.13409	1.0
284.03207	4.1
285.03995	2.2
287.05222	0.7
297.04007	6.6
298.04825	6.0
309.04007	2.8
310.04819	10.6
311.05594	27.2
311.76706	0.7
312.06049	1.2
322.04764	0.8
325.03571	0.9
326.04315	0.9
329.13773	1.5
330.03732	1.3
336.06360	0.9
337.03394	1.8
337.07242	2.1
339.05087	12.7
350.04288	2.6
351.04681	1.0
353.06531	0.8
365.06454	0.9
371.15091	1.2
447.14532	2.5
449.16370	1.2
458.14099	2.5
463.14069	1.0
465.15552	7.1
467.16992	1.1
473.10867	3.0
475.13904	1.5
479.17233	2.2
481.15146	7.4
487.34274	9.9
488.34464	3.5
489.35916	3.5
493.15140	6.3
497.18179	8.6
501.10419	10.8
507.16400	1.6
509.14349	1.2
525.17596	14.5
526.17548	1.1
643.20477	2.1
651.39154	1.8
655.20490	2.1
669.27386	2.9
686.37592	1.0
687.22919	100.0
687.37524	8.2
688.23236	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	687.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.6
61.98826	1.8
62.13504	0.5
69.03497	0.6
69.16376	0.9
69.16663	2.9
71.01380	4.2
73.02950	0.7
77.03972	0.5
81.03456	0.5
85.02958	2.1
87.00883	1.1
89.02444	2.7
91.63032	0.5
93.03455	1.0
95.01394	0.6
95.05027	0.8
99.00881	0.9
101.02434	3.8
105.03475	1.0
106.46832	0.5
107.01406	0.5
108.02213	1.4
109.02954	1.0
113.02460	1.5
115.02003	0.5
116.92868	1.0
117.03475	0.9
119.03520	1.0
121.02931	1.4
122.03751	1.6
123.04497	1.3
132.02162	1.4
133.02954	32.7
134.03766	9.2
135.04527	23.9
136.04861	0.6
137.02435	2.0
145.02972	1.6
146.03743	5.8
147.04468	1.2
148.05305	1.4
149.04712	0.6
149.06107	5.0
150.03223	3.4
151.00385	1.2
151.04001	0.5
155.03517	0.7
159.04498	0.7
160.01634	1.1
160.77702	0.5
161.02441	100.0
161.05975	2.8
161.95206	0.5
162.02789	3.3
163.03999	0.6
164.04771	4.2
165.05562	3.0
167.07143	5.3
173.04581	0.5
175.04056	1.2
177.05586	5.2
178.02690	1.9
179.03499	25.6
179.05475	1.2
179.07024	5.7
180.03973	1.0
181.05022	0.7
191.05594	4.2
193.05054	1.0
193.08620	0.8
195.06631	1.0
201.05534	0.6
203.03568	0.8
218.36812	0.6
221.04561	7.3
227.06953	0.5
233.85077	0.5
236.07065	0.5
244.62332	0.5
251.05602	7.0
251.09279	1.3
252.05893	0.6
281.06659	10.1
282.07007	1.0
285.03790	0.8
299.82928	0.6
323.07834	0.9
325.03458	1.4
329.12491	5.3
341.08771	13.1
342.09006	0.8
371.14621	0.5
383.13629	0.8
475.16107	0.6
487.08722	1.4
489.13608	2.7
489.28586	0.8
490.14969	3.0
491.15619	4.5
505.16968	1.6
507.17853	0.9
522.97040	0.5
525.19171	1.0
528.94928	0.5
545.16644	9.4
545.24506	0.4
639.20398	1.5
651.20453	6.1
651.36090	0.9
669.21729	17.9
670.22266	2.6
686.39996	1.5
687.22797	27.1
687.40460	1.3
688.22845	4.2
698.10443	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.5
59.01378	69.9
61.98835	22.4
68.99803	2.7
69.03460	4.7
71.01379	50.4
72.32818	1.5
73.02952	14.0
75.00859	2.8
75.37185	1.4
81.03469	5.7
83.01370	3.1
83.05042	4.6
84.02143	3.1
85.02957	9.1
87.00864	3.6
88.98808	2.5
89.02442	78.2
93.03436	1.6
95.01353	1.9
97.02943	12.8
98.21886	6.1
99.00885	15.5
99.04548	2.3
101.02444	27.8
109.02929	2.4
109.06583	47.5
110.03732	4.9
111.00986	1.6
111.48625	2.1
113.02458	8.1
115.04001	1.9
119.03513	4.3
121.06586	3.5
123.04527	6.5
123.10537	1.7
125.02444	21.9
129.01918	2.0
131.03482	7.9
133.02945	9.9
134.03714	5.5
135.04567	12.9
135.08195	4.4
136.05237	2.2
137.02434	5.4
142.02762	2.4
143.03532	4.3
149.04550	44.6
149.05684	1.6
150.03252	1.9
150.06841	6.3
153.05553	5.1
161.02469	19.3
161.04538	3.9
161.09680	2.3
162.02779	4.4
162.06859	2.6
163.11285	22.9
167.10783	8.4
169.12308	2.2
172.05376	2.5
173.04535	3.0
177.09172	3.3
178.02676	2.8
179.03461	9.4
179.10808	3.2
181.12329	7.6
191.05643	14.1
192.77176	1.9
197.11909	4.2
207.10249	82.2
208.10599	2.5
209.11844	8.2
221.06691	3.0
225.11322	100.0
226.11604	2.3
233.06697	9.2
244.04510	1.9
269.04449	4.4
275.07669	2.7
285.03955	4.4
293.08774	47.2
309.14951	2.1
311.09769	8.0
325.77982	1.5
329.13745	5.1
349.23807	2.2
371.14911	5.1
458.14078	3.2
525.34338	2.8
625.24921	7.2
669.26917	5.1
669.39197	2.0
686.39197	3.3
687.40497	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.339
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02412	1.0
65.00325	11.9
66.30824	0.5
69.72240	1.0
72.01144	0.4
78.95908	0.5
83.01387	3.9
93.03496	0.5
100.44461	0.5
107.01391	16.7
107.20530	0.4
109.02956	1.7
121.02978	0.5
125.02471	3.4
131.01396	1.1
134.03725	0.9
135.04526	50.2
136.04851	1.3
151.00375	96.4
152.00713	1.5
161.02405	1.0
164.01125	0.5
165.01880	0.9
169.01410	1.2
175.00391	5.4
193.01494	0.7
225.05522	0.5
269.04565	1.0
287.05615	100.0
288.06027	3.5
311.05362	0.6
312.65012	0.5
313.19220	0.4
325.21259	0.5
551.28223	0.6
687.33356	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	687.3958
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
57.03426	1.2
59.01378	8.4
61.98834	3.2
65.00309	0.9
66.61096	0.6
67.01856	0.6
68.99808	0.9
69.03458	1.3
69.21652	2.9
71.01380	4.1
73.02946	1.6
81.03455	0.5
83.01414	0.7
85.02950	2.5
87.00854	1.0
89.02436	3.1
92.25873	0.5
93.03479	0.9
95.01388	0.7
95.05032	0.6
96.96005	1.1
97.02959	1.0
99.00907	0.7
99.04504	0.9
101.02428	3.4
106.24967	0.7
109.02930	1.4
109.06612	1.1
111.00912	0.7
113.02464	1.6
116.92869	1.2
119.03523	1.0
121.02907	0.8
123.04489	0.8
123.08157	0.8
125.02496	1.0
133.02963	2.6
135.04517	5.1
135.08163	1.4
137.02443	13.5
139.00294	0.6
143.03497	0.5
145.02977	0.6
149.06090	3.9
150.06865	36.7
151.00282	1.2
151.04083	0.6
151.07181	0.9
153.01915	0.8
161.02460	6.5
161.09702	1.3
162.02739	0.8
162.06862	0.8
163.07668	7.6
164.08429	7.5
165.05606	1.1
173.04573	1.6
173.06044	0.6
176.08440	0.9
177.05621	0.7
178.10008	2.8
179.03502	3.0
179.05675	0.8
179.10767	18.7
191.05673	2.0
209.11804	1.0
225.14911	0.9
241.05232	0.7
269.04471	0.9
271.09778	1.8
279.12323	0.6
284.03302	0.8
285.04059	2.5
286.04251	0.9
327.15768	1.1
327.21881	0.8
329.14001	0.8
343.24860	0.8
345.16901	0.9
345.22638	2.9
371.14935	1.3
441.15305	0.6
446.30249	1.0
451.30728	1.8
461.32645	0.7
464.31323	4.5
464.42032	0.6
465.31519	0.6
478.33121	0.8
479.33810	9.2
489.31320	0.7
493.17566	0.7
506.32712	1.3
507.33246	5.4
515.12170	1.3
524.33557	2.4
525.16351	0.9
525.34351	20.6
526.34741	2.2
541.13348	1.4
549.25269	0.9
624.14545	1.7
651.36426	1.0
669.30920	2.6
687.39740	100.0
688.29639	1.0
688.40228	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	687.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.5
59.01379	6.9
61.98829	2.4
71.01381	2.6
73.02551	0.8
73.02950	11.7
79.97569	0.5
85.02952	1.1
87.00909	0.8
87.39229	0.5
89.02455	2.7
97.06616	2.9
99.04501	1.3
101.02446	1.7
109.02930	0.7
113.02408	1.2
121.02911	1.0
125.02454	0.9
133.02924	1.2
135.04500	1.8
135.08136	0.6
137.02472	0.9
149.06073	3.3
150.06873	46.2
150.74133	0.5
151.00397	0.6
151.07370	1.1
155.03529	1.0
161.02431	1.6
161.09692	1.0
163.07663	6.6
163.45551	0.6
164.08437	6.8
167.03490	1.4
168.84100	0.6
173.04584	0.6
176.08444	0.9
177.09134	1.0
178.10028	2.8
179.03552	1.5
179.05560	0.7
179.10777	23.3
180.11143	0.7
191.03935	0.6
191.05560	1.4
283.13214	0.6
285.03970	1.8
320.19904	2.1
321.20816	0.8
335.22278	8.1
345.22708	1.3
392.25665	4.0
406.27301	3.7
407.28052	19.1
408.28302	1.4
415.28479	1.6
432.28500	1.3
433.29755	5.0
445.33450	0.7
461.32657	0.7
462.39847	0.6
463.10269	2.0
463.34174	0.6
464.31488	1.6
479.26920	1.0
479.33456	4.2
489.32202	1.5
505.88281	0.6
506.32834	0.8
507.33023	1.9
524.33325	1.6
525.34338	11.3
526.34912	1.4
625.25928	0.6
651.37384	3.3
652.37109	0.8
687.39636	100.0
688.39960	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	687.3963
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
57.03457	0.6
59.01379	5.0
61.98828	6.9
69.03452	0.5
69.34126	1.1
69.34526	1.4
70.41689	0.4
71.01382	5.5
72.99295	0.4
73.02949	0.6
85.02946	0.8
86.96445	0.6
87.00871	1.3
88.98790	0.5
89.02444	31.0
93.03425	0.5
96.96006	0.6
98.22587	1.1
101.02445	2.5
107.01390	0.7
113.02455	1.0
117.53574	0.5
122.03768	0.5
123.04511	1.9
125.02444	1.2
131.23697	0.4
133.02919	2.6
134.03755	1.2
135.04524	3.9
137.02510	0.8
139.13354	0.5
149.06075	2.2
150.03256	1.0
150.06866	26.1
151.00377	2.0
151.07251	1.0
153.05617	1.0
155.03517	0.6
161.02446	8.2
162.02800	0.5
162.06819	0.8
163.07651	6.6
164.01154	1.6
164.08438	4.4
165.05562	1.0
165.09131	0.6
176.08458	0.9
177.01901	0.7
177.05540	0.9
178.09982	1.3
178.58472	0.4
179.03485	3.1
179.10756	12.1
180.11053	0.6
187.04137	0.5
187.09676	0.6
191.05626	0.8
195.06520	0.8
199.04099	0.5
200.04659	0.5
215.03532	0.5
221.04515	1.1
227.03552	1.1
242.05922	0.8
257.08273	0.5
283.13324	2.4
286.04813	1.7
301.07172	10.2
313.23553	0.5
315.21680	1.6
323.07761	6.6
327.12418	0.9
329.13867	0.5
343.24921	1.1
344.21082	0.6
345.22592	0.9
347.17053	1.1
353.14096	0.6
371.15039	2.6
420.28717	1.4
434.30435	2.2
435.31134	4.3
449.32590	0.7
464.31247	1.1
478.32788	1.2
479.33835	5.5
495.33408	4.7
524.33124	2.5
524.46216	0.6
525.34247	11.4
526.34753	1.4
625.15662	10.7
643.23645	1.7
686.38190	0.7
687.39502	100.0
688.40015	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	687.3963
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
52.93204	0.4
59.01378	5.3
61.98531	0.7
61.98827	7.2
66.43578	0.4
68.99804	0.7
69.03475	0.5
71.01381	8.1
73.02937	0.7
80.55276	0.4
85.02944	1.6
87.00869	1.6
87.04515	1.7
89.02442	75.7
90.02769	0.6
93.03462	0.4
93.27599	0.4
95.01379	0.5
99.04465	0.6
101.02446	3.4
109.02934	0.6
109.72337	0.4
113.02423	1.2
119.03487	0.6
121.02898	0.5
125.02464	0.8
133.03008	1.0
134.03702	0.6
135.04504	3.1
137.02448	0.8
137.06076	0.5
147.20226	0.4
149.06085	1.3
150.06857	16.0
151.00381	0.7
151.07619	0.5
155.03473	1.2
161.02402	1.0
161.09613	0.4
163.07671	4.1
164.08412	1.3
167.03568	0.5
177.09207	1.0
178.02376	0.5
178.10013	0.8
179.03465	0.8
179.10765	7.0
191.05626	1.9
199.87717	0.4
207.50928	0.3
285.03949	1.5
328.42719	0.4
357.13361	0.6
376.26245	3.3
377.26398	0.5
390.27640	3.0
391.28491	14.9
392.28860	1.0
399.18289	0.5
402.27673	0.9
416.29190	1.7
417.30060	3.9
434.30173	0.6
461.32648	1.3
476.15057	0.5
487.34210	1.6
493.10797	0.6
500.08417	0.4
505.65582	0.5
507.33087	1.1
524.33441	1.4
525.21820	0.6
525.34094	4.5
627.33704	0.8
651.39471	0.8
655.20337	0.6
669.38031	0.5
683.50885	0.5
687.39563	100.0
688.28113	0.6
688.39978	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	688.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.1
61.98830	48.6
62.15087	0.5
65.89583	0.5
67.01880	0.9
68.99805	0.6
70.14619	0.5
70.14978	1.2
71.01381	6.6
72.99303	0.5
73.02931	2.4
74.35469	0.4
79.25050	0.5
83.05052	0.6
85.02946	1.7
87.00876	0.9
89.02443	5.8
93.03454	2.8
99.00877	3.3
101.02441	4.3
103.69248	0.5
104.69478	0.5
106.04208	0.6
107.15144	0.6
109.02940	0.7
111.00907	0.8
113.02422	2.0
117.03455	1.2
119.03503	0.9
121.02959	1.4
123.04510	0.9
133.02950	14.0
134.03752	25.9
135.04529	16.6
137.02441	11.6
139.04033	2.7
149.02437	0.9
149.04536	0.7
149.06114	0.7
150.03261	1.1
150.06879	4.3
151.00302	0.8
151.07321	0.7
155.03500	1.2
161.02441	29.6
162.02740	1.6
163.07623	1.7
166.57861	0.6
173.04558	1.4
177.01851	0.7
178.02722	6.0
179.03491	11.1
179.10738	2.4
180.03864	0.7
185.11862	1.4
187.07684	3.2
188.08464	1.0
191.05650	3.1
225.11247	0.6
231.06572	0.9
257.08246	1.2
269.04520	8.5
269.15533	1.1
271.16864	0.6
285.04163	1.6
287.16418	0.9
313.14276	0.9
315.16074	0.6
347.17490	0.7
375.10818	0.9
419.13361	1.5
421.29663	1.4
422.29684	0.6
449.21555	1.2
477.14926	0.6
493.20663	2.2
495.32901	0.8
496.34183	0.7
507.33301	1.5
508.33728	0.8
525.33716	1.4
625.24994	100.0
626.25250	10.5
645.16174	0.9
687.39734	8.1
688.27539	0.8
688.40198	10.4
689.19287	2.4
689.33820	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.5
60.01220	1.1
61.98826	17.3
68.99788	2.2
69.03437	1.2
69.13742	6.3
71.01370	4.5
76.09743	1.0
83.01388	1.2
85.02937	1.1
89.02435	1.5
93.03448	1.7
94.02978	1.7
98.21946	2.3
101.02432	4.9
116.05044	1.7
118.06617	1.9
122.02467	2.2
142.06641	1.2
147.04530	8.6
151.00301	1.7
161.02466	1.8
164.07137	5.7
167.06099	2.8
181.07588	1.4
190.05115	9.2
191.05667	3.1
193.07718	1.3
195.09230	1.4
209.07170	4.4
219.09279	3.0
221.07184	1.5
221.10750	1.6
222.09291	1.5
233.07256	1.1
235.08788	5.4
237.06717	7.5
237.10307	10.3
242.24297	1.1
247.08759	18.4
249.10309	1.7
251.08131	1.8
263.08243	10.1
265.09793	28.9
266.10034	1.7
269.04504	1.7
282.54391	1.2
289.09778	1.2
291.04602	2.4
291.07709	23.6
292.07947	1.1
293.09497	1.2
308.10590	2.1
317.12775	2.7
338.12778	1.7
361.12122	1.6
394.15488	3.5
412.16461	2.0
428.16135	2.5
438.14261	1.9
456.15643	25.7
457.15897	1.8
487.34329	1.5
488.34845	2.2
498.17029	2.8
520.25348	1.2
526.20160	1.8
688.25049	100.0
689.25244	14.1
704.74603	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.3
61.61531	0.6
61.98830	63.8
63.02423	1.6
65.00363	1.8
66.54690	0.7
68.99843	2.7
71.01383	6.9
71.46133	0.8
71.76140	0.6
73.02966	1.6
82.95466	0.8
83.01413	1.4
83.25494	0.6
85.02984	2.5
87.00919	1.2
89.02436	3.2
93.03493	2.3
95.01389	1.3
100.45374	0.7
101.02438	3.6
107.00816	0.7
107.01377	3.6
109.02998	1.1
111.04575	1.0
113.02463	2.6
117.03475	4.6
119.03564	1.2
121.03027	0.7
125.02406	1.7
126.80853	0.7
133.02995	1.7
134.03754	1.1
135.04578	3.2
137.02458	0.8
149.02507	2.3
150.03307	0.6
151.00386	5.1
151.07620	1.2
155.03566	1.3
158.03770	0.9
159.03264	0.7
159.04506	3.9
161.02434	3.4
161.06131	0.8
163.04012	0.8
171.10287	0.9
172.05281	6.2
173.06067	0.8
175.04044	1.2
179.03496	1.7
180.03879	0.9
181.06491	1.0
183.04543	2.4
185.06096	0.9
186.06877	2.6
187.04071	1.5
187.07637	34.5
189.05576	3.1
191.05618	4.2
196.05353	1.4
197.06107	1.2
199.04132	1.6
200.04810	2.9
201.05603	1.6
202.06436	1.2
207.10384	0.8
209.11858	1.7
211.07860	0.7
213.05624	1.1
213.09270	2.8
215.07115	7.6
219.73499	0.8
225.05629	2.6
227.03598	3.6
228.04362	1.8
229.08762	2.0
231.06647	11.2
231.10275	2.0
241.05057	1.7
257.08209	19.6
268.03781	5.0
269.04550	100.0
270.04788	3.9
271.10031	0.7
284.03171	1.0
285.04141	2.2
303.08496	0.9
375.10794	13.4
419.13480	14.0
431.10080	3.5
527.18866	3.9
626.25269	2.5
629.37445	0.9
645.16315	10.7
657.22113	1.3
671.39502	1.4
681.38086	0.8
688.41022	2.0
689.18530	26.7
689.42395	3.6
690.18658	1.2
717.68488	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.2
59.01379	7.3
60.55240	1.0
61.98829	6.3
65.00323	11.0
68.99789	1.4
71.01395	5.5
82.95401	1.1
83.01381	5.1
85.02936	2.7
86.23494	0.9
89.02441	3.2
93.03439	1.7
93.98900	1.1
98.69950	1.1
101.02422	2.7
107.00700	1.6
107.01379	18.0
113.02467	1.5
119.66064	1.1
122.02489	2.8
123.04522	2.2
125.02443	14.6
126.65195	1.1
133.02968	1.2
134.03740	5.2
135.04483	3.5
136.05284	1.6
148.05290	12.2
149.02399	1.0
150.06830	1.8
151.00369	54.4
155.10754	1.7
160.01706	1.6
161.02412	2.8
161.06065	25.1
162.03203	2.5
162.06508	1.1
165.01823	2.1
167.03452	5.1
172.05296	1.2
173.04501	1.3
174.03232	2.0
175.00388	5.6
176.04767	6.1
177.01933	5.2
179.03415	1.6
180.04243	1.3
186.06691	1.0
187.04063	2.5
189.05551	19.0
191.05594	3.0
200.04837	1.5
200.08620	1.2
207.10255	1.4
209.11804	2.0
213.11432	1.1
214.06314	1.4
215.03592	2.1
255.13792	4.5
257.15277	1.2
269.04520	3.9
271.17050	4.0
284.03302	3.3
285.04028	5.9
287.16425	3.2
297.14923	9.0
299.05679	1.2
313.14590	1.8
315.15973	11.9
325.14484	6.3
329.17526	4.5
331.15390	5.5
341.13791	4.5
343.15512	9.7
347.18515	9.3
349.16403	1.5
357.17099	3.1
360.15723	1.6
375.18124	32.2
376.18439	2.2
383.14590	1.3
401.15994	19.1
402.16147	1.4
495.16507	4.7
527.19202	100.0
528.19482	7.5
563.20636	1.2
569.20081	2.0
657.22400	3.2
689.24481	48.5
689.36823	4.6
690.24872	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	689.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40721	6.0
51.46265	6.1
57.23359	7.1
59.01370	25.5
60.40031	6.1
60.64321	6.1
61.98816	13.1
71.01382	16.5
73.78661	6.5
88.15498	6.1
89.02482	8.1
96.96014	6.9
101.02474	9.6
106.39639	6.8
111.54809	6.6
152.99596	11.8
153.26544	7.1
186.85612	6.8
223.36224	7.1
255.23198	31.8
305.08606	7.2
378.32254	7.3
395.27875	12.3
397.13559	100.0
415.14581	19.5
629.86047	7.4
653.37494	14.4
689.35168	76.8
690.35693	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	689.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31875	4.1
59.01366	17.8
61.98833	6.7
67.19385	5.0
71.01373	17.5
72.93072	4.4
77.06326	4.5
89.02427	20.5
96.95968	4.7
101.02434	12.3
105.08109	4.7
108.13464	4.3
181.21820	4.4
197.77495	4.6
235.08107	7.2
255.23322	47.3
359.40930	4.1
384.52090	4.9
397.13449	100.0
398.13553	6.5
415.14529	28.1
653.37445	13.0
689.35144	89.1
690.34888	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	689.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.0
55.83590	0.5
57.03428	1.9
59.01374	20.4
61.98808	1.9
65.00301	0.5
69.03445	1.4
69.52666	0.5
69.68601	1.8
71.01377	28.5
73.02561	0.7
73.02941	12.1
83.01388	4.8
85.02454	1.0
85.02948	15.1
85.77504	0.5
86.88140	0.5
87.00877	1.8
89.02444	6.7
95.01385	3.1
97.02944	1.7
99.00867	2.5
101.02440	25.8
107.01382	0.7
111.00832	0.6
113.02444	13.0
119.03516	2.6
125.02438	2.2
129.01883	0.6
135.04510	0.8
143.03445	1.8
150.05263	0.5
151.00328	2.9
151.07619	0.7
159.02974	2.1
161.02414	0.9
161.04562	11.3
161.05919	0.7
179.03542	0.5
179.05524	1.2
209.26480	0.6
260.98633	0.5
269.04474	1.6
285.03720	0.7
319.22607	0.8
325.14557	0.5
377.83820	0.6
401.16113	0.8
462.44727	0.6
467.30170	7.0
495.16211	1.6
504.15820	0.6
527.19208	3.0
629.35364	100.0
630.35791	8.5
657.21472	1.8
689.24548	1.6
689.40167	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	690.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58007	0.3
56.90803	0.3
57.99558	0.2
59.06603	0.3
64.97022	2.7
69.50915	1.1
72.00909	3.4
75.87311	0.2
79.95731	10.7
80.96515	5.7
81.95455	0.3
95.97616	26.9
98.22626	0.4
103.05521	0.4
117.20727	0.3
118.06637	13.8
119.06991	0.5
130.56622	0.3
130.70140	0.3
147.04526	13.7
148.04851	0.4
158.42625	0.2
162.05632	0.3
164.07166	38.0
165.07503	1.2
179.03479	0.3
182.02827	0.4
191.05621	0.8
198.02327	1.1
215.99731	0.3
219.97282	0.3
226.01811	2.3
244.02837	100.0
245.03200	3.2
313.24973	0.3
454.24295	0.3
691.19305	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39921	0.5
54.81368	0.4
59.01385	3.8
65.42985	0.5
67.01885	0.9
69.03457	1.3
71.01397	2.2
71.43597	0.5
72.00923	0.6
73.02992	0.5
79.95742	1.7
80.96538	0.8
85.02955	7.1
87.00882	2.2
89.02447	1.2
93.03447	6.8
95.97617	3.8
96.96022	0.9
99.04492	0.7
101.02444	1.7
109.02960	1.1
111.04549	1.5
113.02470	0.7
118.06624	1.8
119.03583	0.9
119.05026	15.1
120.05374	0.9
127.04002	1.6
131.07152	3.0
133.02959	2.6
135.04523	3.4
139.52594	0.5
147.04544	1.7
151.04063	0.6
155.03471	1.3
161.02463	2.8
163.04018	28.3
164.04424	1.2
164.07167	5.5
165.07471	1.5
169.08742	0.7
171.03029	0.8
173.04564	4.6
177.01929	1.8
177.05315	0.5
179.03546	3.8
191.05615	100.0
192.05952	4.7
196.76511	0.5
213.07637	0.6
215.05646	1.3
221.04575	1.1
244.02840	9.6
245.03143	3.8
251.05589	1.0
281.06705	1.4
293.12460	6.3
294.98795	0.4
337.09293	19.3
338.09494	1.0
341.08737	2.1
349.15027	0.9
351.07196	3.2
352.07230	0.6
353.08740	10.3
354.09103	1.2
422.81900	0.5
433.45425	0.6
640.30267	0.5
683.74719	0.5
691.25452	2.9
691.34912	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47690	1.2
57.03454	6.6
59.01386	12.6
59.57496	1.5
60.09888	1.1
61.98836	8.4
65.00333	16.4
67.01917	2.3
68.99825	2.3
69.03441	1.6
71.01381	6.0
71.64748	1.1
73.02925	1.9
75.40309	1.4
81.03461	4.7
83.01405	10.3
83.05040	2.4
85.02954	5.8
87.00862	2.4
89.02456	3.6
93.03472	4.5
94.98154	1.2
95.01392	1.3
95.05055	2.0
96.96042	7.1
97.02974	2.1
99.00867	1.3
99.04512	1.5
101.02437	7.0
107.01400	21.4
107.02096	1.2
113.02461	3.9
121.02944	1.8
123.04533	32.5
124.01692	1.4
125.02457	75.6
126.02785	2.0
127.04041	2.2
131.01425	2.2
133.02974	3.3
134.03809	1.7
135.04520	4.5
137.02478	2.1
149.02432	3.7
150.03220	2.5
151.00372	51.9
155.03514	4.3
159.04515	4.0
160.05313	3.1
161.02458	4.5
161.04521	2.5
161.06055	1.4
163.03979	1.4
165.01990	2.0
165.05438	1.4
167.03505	79.1
168.03896	2.2
169.01337	1.6
172.05273	7.2
173.04689	2.3
173.06042	3.0
174.03256	1.9
175.00356	7.0
175.03975	1.5
177.01933	7.9
179.03510	3.8
181.05022	2.1
186.06805	1.6
187.04028	8.0
188.04752	1.6
191.03516	9.5
191.05629	20.0
192.03935	1.4
193.01469	1.4
198.06802	1.4
199.04001	2.6
200.04807	11.1
201.05577	4.7
201.11421	1.9
202.06369	5.3
209.04587	3.3
209.11787	13.0
213.05548	4.6
215.03352	1.5
224.04762	1.7
227.03539	4.6
228.04230	2.4
238.06282	1.6
241.05095	3.0
242.05873	2.7
253.09225	1.7
255.02992	2.1
269.04611	4.5
271.10031	2.1
272.09781	1.3
273.14935	2.6
283.13428	49.2
283.16614	2.8
284.13730	2.4
285.04065	5.8
286.04446	2.1
299.12988	4.0
299.16342	2.2
301.11273	2.6
301.14499	24.2
309.04065	1.7
309.15076	9.2
310.04712	2.5
310.15295	2.0
311.12921	23.7
312.13223	1.5
317.13898	2.6
325.14453	1.9
327.12784	1.5
327.16074	11.8
329.08926	4.5
329.13947	52.6
330.14282	3.9
332.23578	1.4
335.12924	2.2
345.17194	5.4
353.13959	18.0
359.18704	7.9
371.14978	32.7
372.15411	2.7
377.19620	3.8
403.17630	40.3
404.17877	3.6
447.09677	1.7
453.15460	1.6
467.21024	2.8
469.30215	1.7
479.17276	4.0
497.18225	34.7
499.23441	3.0
511.19452	2.3
520.07727	1.4
529.20807	100.0
530.21130	12.4
553.20905	2.2
571.22314	1.8
631.33923	2.2
655.39569	3.2
659.23474	20.4
660.23816	3.2
673.25061	2.6
691.25964	39.4
692.26422	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	691.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08876	0.3
59.01376	2.6
59.48495	0.3
65.44406	0.3
66.42863	0.3
69.21983	0.8
69.22395	0.9
83.05008	0.7
85.03001	0.3
88.00373	0.3
89.02419	0.4
93.03442	0.6
94.02957	1.7
95.05013	0.3
96.96018	2.5
98.02483	0.3
98.21886	0.7
100.66223	0.3
101.02437	0.5
108.04568	2.1
112.17258	0.3
120.04561	0.7
121.05370	0.3
121.18014	0.3
122.06120	7.5
124.04038	1.1
124.07660	0.4
132.04517	0.3
133.02963	0.6
134.06120	1.3
135.04486	1.1
135.05455	0.4
135.06882	0.5
136.04031	3.4
136.06705	0.6
136.07674	8.5
137.07901	0.3
138.05603	1.8
142.48981	0.3
145.24500	0.4
146.06065	0.3
150.05597	7.2
152.01175	0.4
152.07156	2.1
155.03516	0.4
159.05615	0.3
161.02429	1.3
163.08792	0.4
164.07082	0.4
167.03461	0.6
174.09244	0.7
176.03546	0.7
179.03537	0.6
186.09193	2.9
187.06503	0.4
187.09929	0.4
188.10909	0.5
190.05054	0.8
191.05560	0.8
197.04514	0.3
201.06551	2.0
202.07214	1.8
202.09061	0.4
202.12352	1.5
205.09801	0.3
212.10774	1.2
213.06490	0.4
214.07468	1.2
215.08139	2.0
216.08688	0.4
228.10323	2.2
229.09799	12.4
230.12024	6.3
231.11365	0.8
239.08228	0.5
243.11349	0.4
244.08510	0.9
245.09291	4.7
245.12987	0.8
255.11359	3.2
257.09293	5.1
258.09961	1.4
259.10855	0.6
273.12448	18.1
274.10413	0.4
274.13013	0.7
275.10367	1.9
285.04077	0.7
290.12531	0.3
317.11411	15.8
318.11636	0.6
334.11584	1.0
335.12460	100.0
336.12778	7.6
355.13037	2.0
435.10550	0.3
491.11853	0.5
517.67047	0.3
587.22083	0.4
606.76141	0.4
613.76373	0.3
631.24017	0.9
641.23035	0.4
659.23749	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02391	1.2
63.18710	0.2
65.00303	1.2
65.68616	0.2
73.00821	0.2
79.77119	0.2
83.01393	0.8
97.49406	0.2
98.22626	0.3
107.01386	2.0
108.83353	0.2
117.03446	1.7
125.63856	0.2
127.88642	0.2
142.85652	0.2
148.01640	0.6
149.02455	1.2
149.99588	0.5
151.00368	3.4
152.00746	0.2
152.99567	0.2
155.05003	0.2
156.05812	0.3
158.03763	0.2
159.04482	0.6
167.39357	0.2
171.04550	0.9
172.05287	0.9
181.06670	0.2
183.04526	0.5
184.05331	0.4
195.04480	0.3
196.05333	0.7
199.03955	0.4
200.04794	0.8
201.05612	0.3
211.04013	2.1
212.04767	0.9
217.91127	0.2
225.05608	0.8
227.03500	0.4
228.78583	0.2
228.84123	0.2
239.03491	3.5
240.04231	4.9
241.04810	0.2
255.23221	0.5
267.02966	2.0
268.03751	100.0
269.04462	24.9
270.04916	0.9
281.04529	0.4
282.05225	0.3
283.06055	0.6
297.04016	0.7
311.05530	1.0
323.05554	0.3
341.06738	0.4
413.08496	0.6
472.29535	0.2
485.10684	0.7
691.31177	70.3
692.31512	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	691.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.5
55.29362	0.4
57.03451	1.0
59.01379	20.4
61.98831	3.4
63.70007	0.4
67.35889	0.5
69.03455	0.9
69.22272	0.8
69.22666	1.5
71.01376	13.2
73.02943	2.1
73.05506	0.4
75.00860	0.5
81.03455	0.5
83.01377	1.3
85.02945	3.1
87.00879	3.1
89.01923	0.8
89.02443	11.3
91.04052	0.5
93.03484	0.8
95.01381	0.7
96.95959	0.7
97.02950	1.3
98.21889	1.1
99.00883	0.8
101.02432	8.9
111.04463	0.6
113.02454	4.4
119.03490	2.8
125.02457	2.9
131.03473	0.4
133.03009	0.5
135.04515	0.5
139.03975	0.6
140.79184	0.5
143.03503	1.1
152.99521	0.4
161.04552	1.9
165.30048	0.4
179.05563	2.0
179.14381	0.8
185.06053	0.4
191.05626	1.6
195.13873	7.4
196.14516	1.2
198.96898	0.4
205.16080	0.7
221.06581	0.5
223.13376	5.1
235.08287	3.4
236.90167	0.4
253.09210	1.3
256.13162	1.1
263.07639	0.8
264.28564	0.5
269.04636	2.3
270.04837	1.0
275.20175	3.7
293.21213	100.0
294.21552	6.1
305.08899	0.8
395.69281	0.5
397.13489	24.4
398.13950	1.0
415.14526	26.5
416.14886	1.5
594.12939	0.6
649.35907	1.2
654.27972	0.7
691.37891	1.2
714.68542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.37
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68882	0.9
55.01870	3.7
57.02012	0.8
57.03445	4.0
59.01380	71.4
61.98829	2.2
62.72376	0.9
69.59084	3.6
71.01383	69.5
72.01723	1.6
73.02948	26.2
75.00864	1.1
83.01396	6.9
84.75501	0.8
85.02953	31.1
86.03316	0.9
87.00881	2.6
89.02449	6.2
94.27211	0.9
95.01386	6.4
97.02946	2.5
99.00888	10.9
99.04508	1.6
101.02448	51.3
108.41785	0.8
113.02451	29.9
114.02785	1.2
119.03535	1.3
125.02455	2.7
129.01956	1.2
130.41441	1.1
143.03540	5.7
143.44278	0.8
159.03001	11.2
161.04561	100.0
162.04895	1.8
179.05632	1.5
289.17953	1.2
327.19586	0.9
345.13800	1.0
377.28500	1.2
383.11081	1.3
389.28439	2.6
392.27194	9.9
407.29639	5.1
451.28839	1.8
469.29550	26.4
470.29794	3.0
631.34875	65.2
632.35254	7.2
692.20502	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43556	0.7
55.01873	2.5
56.21612	0.7
57.03456	2.0
59.01378	100.0
59.95192	0.7
61.98827	5.0
71.01379	48.0
72.99327	0.9
73.02947	6.8
75.00882	0.8
83.01389	4.5
85.02949	14.0
87.00900	2.4
89.02445	53.1
95.01366	3.6
99.00896	1.3
101.02443	40.8
103.01482	0.7
104.86559	0.7
113.02454	22.9
119.03502	25.7
125.02408	0.8
131.03537	3.0
132.45856	0.8
143.03497	6.7
149.04575	2.4
150.20111	0.7
161.04565	15.8
167.94531	0.7
179.05592	21.9
179.07114	1.2
189.06885	0.7
217.56686	0.7
265.15540	0.7
392.16415	0.8
631.34869	61.6
632.35193	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	692.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.2
60.57389	0.9
61.98824	4.7
68.99768	1.0
69.36616	1.0
71.01389	2.2
78.95879	1.2
79.80713	1.1
83.07269	1.2
83.64957	0.9
84.00905	3.2
85.02953	2.5
89.02372	1.2
93.03447	1.6
101.02452	2.7
112.94934	1.1
113.02345	1.1
135.04488	1.4
151.00328	2.4
161.02489	2.0
171.10246	1.5
191.05675	6.1
192.05901	1.5
204.02359	1.3
204.05078	1.8
211.13493	1.8
265.07742	1.6
267.09204	3.0
270.81223	1.2
285.03979	1.8
287.05612	1.1
327.21786	15.3
386.97385	1.2
470.29987	1.6
471.31235	2.8
473.68546	1.2
487.34311	100.0
488.34833	10.1
633.39960	2.0
647.10748	1.2
649.39417	3.3
692.29510	1.5
692.40222	5.4
693.39044	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	693.167
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47651	0.3
59.01386	1.8
60.99310	0.4
67.01871	1.5
69.03464	0.7
69.51802	1.5
71.01376	1.5
73.02908	0.6
77.30695	0.3
81.03445	0.7
83.05029	0.4
85.02950	5.4
87.00883	3.7
93.03457	12.3
95.05048	0.5
96.96037	0.8
99.00822	0.4
105.03471	4.1
107.05027	1.1
107.81013	0.3
109.02955	3.7
110.03197	0.5
111.04529	2.0
119.05016	1.1
123.04542	1.0
123.95400	0.4
127.03986	1.7
133.02953	19.1
134.03278	0.8
135.04521	7.8
137.02431	0.7
149.02457	0.4
150.03221	0.9
151.03871	0.4
153.01942	0.4
155.03429	0.9
159.04547	0.4
161.02451	2.6
163.03981	1.4
164.04297	0.5
164.07175	0.4
171.02971	0.6
173.04553	8.6
176.01314	0.5
177.01926	33.4
178.02220	1.0
179.03525	3.1
181.36652	0.3
191.05611	100.0
192.05962	4.0
193.06114	0.6
194.01576	0.4
215.03612	0.7
215.05600	8.7
216.05832	0.4
221.04337	0.4
229.01511	0.7
281.06833	0.4
293.04858	0.4
295.05991	0.5
307.08179	1.1
328.51651	0.4
330.40356	0.4
337.00705	0.4
339.07352	8.9
340.07611	0.5
341.08649	0.4
351.07208	22.4
352.07504	1.5
353.08768	11.9
354.09113	0.9
441.08163	0.5
495.14999	0.7
501.10413	1.6
555.35394	0.4
620.96301	0.4
644.17169	0.5
693.18805	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09903	0.3
59.01367	0.8
66.01793	0.3
67.01869	0.6
67.78806	0.3
69.03448	0.4
70.96896	0.5
71.01353	0.6
85.02956	3.0
87.00868	1.2
89.03950	1.1
93.03451	3.1
105.03461	3.1
109.02934	1.5
111.04493	0.5
127.04008	1.0
133.02959	10.1
134.03369	0.7
135.04501	1.5
149.02509	0.6
161.02426	1.0
170.44522	0.4
173.04523	2.4
176.01141	1.4
177.01927	100.0
178.02281	4.2
179.03571	0.8
191.05612	52.3
192.04411	0.3
192.05905	2.0
193.06076	0.4
215.05576	2.5
229.01598	0.3
233.17276	0.3
291.44254	0.3
294.99466	0.3
339.07220	46.8
340.07495	2.9
341.07874	0.5
351.07205	6.5
352.07568	0.7
353.08762	7.7
354.09433	0.5
501.10300	0.6
721.82092	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03397	1.0
59.01390	8.4
60.99298	3.9
61.98813	1.7
62.86557	1.1
67.01900	7.8
69.03444	4.0
69.15951	6.4
71.01379	5.9
73.02921	1.4
79.49165	1.1
81.03455	2.9
83.01421	1.3
83.05003	1.7
85.02951	10.4
87.00877	10.1
89.02418	3.2
90.07394	1.2
91.16640	1.1
93.03458	58.4
94.03761	2.0
95.04990	1.6
95.61229	1.4
96.95989	3.4
97.02981	1.2
99.00817	1.5
99.04494	2.3
101.02454	2.5
105.03441	2.5
109.02918	4.8
111.00859	3.0
111.04528	8.7
113.02431	4.1
119.03446	1.0
125.02438	1.3
127.03964	1.8
132.02199	5.5
133.02028	1.4
133.02960	16.5
134.03778	5.8
135.04518	15.5
136.01648	4.3
136.04828	1.4
137.02451	2.2
149.04706	1.2
149.06133	1.6
150.03220	2.6
151.04004	6.1
155.03468	2.8
160.00421	1.4
160.01657	16.0
161.02451	10.5
162.03195	2.0
165.05594	2.3
171.02907	1.5
171.63951	1.2
173.04553	28.5
175.04050	1.5
177.01883	6.0
177.05486	2.3
178.02606	2.9
179.03529	9.9
191.05617	100.0
192.06000	2.1
193.05074	6.2
195.06586	1.2
215.05553	4.2
220.03801	2.9
241.05080	1.7
256.07227	2.1
271.09717	3.6
280.08173	1.4
295.06253	1.6
295.10767	3.6
298.08316	1.8
303.13458	2.0
321.07553	4.0
327.13269	1.4
339.05148	2.1
339.08768	7.4
351.07208	14.7
367.10178	3.5
381.09781	5.9
501.14069	12.0
513.13953	23.9
519.15210	1.9
597.20026	1.7
601.23102	1.9
633.25238	1.3
643.24207	2.5
661.25110	3.1
663.23865	2.0
675.25330	2.0
693.20227	50.9
694.20868	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	693.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14194	0.3
59.01376	1.5
67.01888	0.7
69.03452	0.3
69.55497	0.4
69.55887	0.6
71.01382	1.1
81.03452	0.4
83.05001	0.3
85.02950	5.9
86.19905	0.2
87.00869	2.0
93.03455	4.7
94.90609	0.2
98.22629	0.3
99.04497	0.5
103.38428	0.3
105.03453	0.5
109.02957	1.4
111.04535	1.1
113.06950	0.2
123.04539	0.3
127.04006	2.1
127.04800	0.3
133.02963	6.0
133.05103	0.3
134.03310	0.3
135.04515	2.6
144.04549	0.4
155.03465	0.4
161.02434	1.9
171.03004	0.3
173.04544	2.9
177.01891	2.2
179.03462	1.4
191.05614	100.0
192.05984	1.7
215.05641	3.0
216.05930	0.4
315.07166	0.3
317.07361	0.7
330.84601	0.3
351.07199	8.0
352.07532	0.8
353.08752	15.0
354.09106	0.9
395.81924	0.4
594.57489	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.5
57.03444	1.6
57.47576	0.7
58.00593	1.2
59.01378	87.5
60.01683	0.8
61.98834	5.1
65.03961	1.2
67.01902	1.8
69.03455	12.4
71.01379	45.6
72.99271	1.3
73.02936	5.2
83.01373	3.5
85.02951	19.3
87.00851	3.4
89.02443	35.6
91.05544	1.5
93.03457	12.8
95.01402	4.1
95.05028	10.3
96.96002	1.8
97.02938	1.5
98.22623	1.6
99.00888	2.1
101.01779	1.7
101.02438	28.0
102.02752	0.8
106.04236	1.3
107.05023	1.1
109.02959	2.2
111.00830	1.0
113.02451	18.7
119.03498	12.6
119.05009	1.5
120.02145	0.9
121.02955	65.4
121.06586	4.4
122.03284	1.9
123.04505	4.6
125.02427	1.2
129.01956	1.2
129.07103	3.6
130.04262	1.5
131.03513	0.9
131.04996	2.8
132.05811	4.0
133.06593	100.0
134.06911	2.4
135.04491	2.3
139.03993	2.2
143.03490	2.6
143.05095	1.2
145.06633	4.9
147.04489	3.6
147.08127	10.0
149.02466	1.4
158.03720	0.9
161.02426	1.7
161.04538	6.8
161.05902	1.7
163.03969	1.7
163.07614	1.4
165.01920	4.1
165.09215	2.1
173.04718	1.1
173.06090	9.4
176.95958	0.8
179.03436	1.1
179.05626	5.1
181.08821	1.4
189.05600	4.7
191.05582	1.9
191.07135	16.8
207.02924	1.4
207.10223	0.8
209.08139	3.0
215.07082	1.5
217.05066	2.7
220.95107	0.8
229.07161	2.0
233.08138	1.6
234.08820	0.9
283.08218	3.4
285.03958	2.6
286.04544	1.1
327.07184	5.4
335.11398	3.6
353.12418	2.1
363.14426	1.8
371.13470	11.3
397.11429	8.5
413.13934	0.9
415.12375	4.6
417.15527	15.5
418.16162	1.0
443.17285	1.2
453.30096	2.1
456.03412	0.9
457.13385	2.9
461.14539	77.8
462.14957	6.5
469.18616	2.8
471.31152	13.6
499.14395	1.0
513.17578	7.1
531.18701	9.7
532.19043	1.8
551.66315	0.9
559.16504	4.5
630.18756	1.2
633.35321	1.1
693.23999	81.5
694.24396	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	693.3279
Annotation	Hirsein B
Peak:m/z	Relative Intensity
57.40374	1.2
58.46546	1.0
65.00291	1.1
67.03683	0.9
70.06422	2.5
107.01353	2.7
117.03474	1.2
126.45597	0.9
149.02431	1.7
151.00328	4.5
169.01460	1.4
196.05186	1.5
211.04059	1.4
239.03424	3.3
240.04330	5.5
267.02939	1.9
268.03772	100.0
269.04468	22.6
298.03873	0.9
693.32751	79.5
694.33441	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	693.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	27.6
59.01655	0.9
61.78411	0.3
61.98828	6.5
68.80258	0.3
69.07954	0.3
71.01347	1.3
73.02912	0.4
77.76025	0.3
78.13325	0.4
85.02915	0.5
89.02407	0.9
101.02447	1.9
112.07693	0.3
113.02388	1.1
119.03495	0.8
133.02881	0.4
135.04500	0.6
151.00359	0.4
161.02351	0.6
191.05583	1.1
197.02502	0.3
204.08589	0.3
285.03995	0.7
358.22876	0.8
371.27399	0.3
373.25189	1.0
379.29749	0.4
389.28723	0.4
390.25659	1.4
391.26193	1.9
405.28131	0.6
407.29453	1.6
408.29694	0.4
423.25375	0.7
441.30469	0.5
453.30069	42.9
454.30515	4.4
467.31381	0.4
471.31128	100.0
472.31485	11.1
513.32245	0.6
633.36578	0.9
654.17334	0.3
693.39111	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	34.5
61.98836	2.9
70.14912	0.3
71.01375	1.1
71.05021	1.0
83.86816	0.3
85.02959	0.4
89.02429	0.8
93.03447	0.5
96.96014	1.3
98.22638	1.0
101.02436	1.3
113.02440	0.8
116.52016	0.3
119.03525	0.6
125.02441	0.4
126.22751	0.4
127.19154	0.3
132.22876	0.3
135.04517	0.5
141.27396	0.3
151.00371	0.4
161.02496	0.8
168.04039	0.3
173.04575	0.4
191.05620	0.6
227.12929	0.6
275.34381	0.3
375.26907	0.4
377.28391	1.3
407.29672	2.3
411.28909	1.1
412.29474	0.4
427.32278	0.6
453.23917	0.6
453.30109	9.6
454.30350	1.0
471.31137	100.0
472.31509	9.2
472.37207	0.3
488.34039	0.6
633.35834	1.4
693.38660	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60997	0.2
55.84911	0.2
57.03431	0.3
59.01379	29.7
60.64547	0.2
61.98831	0.9
69.03461	0.3
69.14890	1.2
69.91891	0.2
71.01381	2.2
72.71141	0.2
73.02940	0.4
75.21564	0.2
83.01424	0.2
85.02968	0.8
87.00886	0.3
88.98853	0.3
89.02441	1.2
93.03474	0.4
95.01399	0.3
96.96013	1.5
98.22597	0.6
99.04510	0.2
101.02443	2.7
104.49600	0.2
111.00871	0.3
111.60803	0.2
113.02438	1.4
119.03502	1.2
119.04974	0.3
127.04001	0.3
133.02965	1.1
134.03801	0.6
135.04562	1.1
136.01645	0.6
137.02449	0.3
143.03540	0.3
149.02464	0.3
149.06055	0.3
150.03203	0.3
151.04048	0.6
161.02449	3.4
161.04552	0.5
165.05566	0.4
173.04567	0.4
179.03522	1.0
184.50777	0.2
191.05627	0.7
195.06685	0.3
213.05565	0.3
225.05400	0.3
229.14430	0.3
240.04230	0.3
241.05118	1.1
255.06631	0.4
256.07367	0.9
270.08990	0.6
271.09802	1.6
285.04086	0.6
301.10855	0.9
323.07959	0.3
337.64139	0.2
354.66071	0.2
361.12802	0.2
373.12875	0.9
393.28085	0.3
395.29684	0.5
423.29251	0.4
425.30685	0.4
471.31143	100.0
472.31473	10.9
479.21399	0.5
485.32587	0.9
513.32275	0.8
633.36273	0.8
657.27429	0.8
693.21423	0.3
693.34515	0.9
694.34210	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70105	0.2
59.01378	27.6
61.98821	0.9
62.76723	0.2
63.00030	0.2
67.35532	0.2
71.01379	2.3
72.99294	0.2
73.02952	0.5
76.22917	0.2
83.01389	0.4
85.02972	0.9
87.00892	0.3
88.98806	0.4
89.02441	1.4
93.03452	0.6
96.96011	2.3
99.00880	0.7
101.02444	2.1
111.00824	0.2
113.02438	0.8
119.03500	0.9
119.05050	0.4
120.32616	0.2
121.03027	0.3
125.02474	0.4
133.02942	0.8
134.03677	0.3
135.04501	0.8
136.01692	0.3
137.22438	0.2
149.04532	0.3
150.03044	0.3
151.00348	0.3
151.04025	0.4
155.03578	0.3
159.04590	0.2
161.02438	2.2
161.04504	0.4
165.05595	0.4
173.04538	0.5
177.05557	0.3
179.03470	0.4
179.05609	0.3
191.05594	2.0
199.09785	0.4
209.11726	0.3
241.04953	0.2
271.06067	0.2
284.03311	0.2
285.04129	1.4
313.10443	0.2
345.15652	0.3
393.28122	0.4
395.29614	0.4
409.25980	0.2
423.28903	0.2
425.30893	0.2
445.63162	0.2
471.31137	100.0
472.31482	10.8
479.21603	0.4
485.32715	0.6
631.20422	0.3
633.35913	0.9
657.27759	0.6
693.33661	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	693.399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30151	1.3
53.59471	1.5
59.01385	9.2
60.51010	1.8
61.98837	13.8
63.99303	1.5
67.01870	1.6
71.01401	3.1
71.33504	1.4
71.43763	2.0
84.73802	1.5
87.04501	1.6
89.02445	1.8
93.03434	2.6
96.95996	1.7
103.03391	1.5
110.79929	1.5
111.54343	1.4
112.39485	1.4
133.01462	2.7
135.04463	2.1
141.01718	1.6
149.06206	1.5
150.06866	17.3
152.01781	2.0
163.07639	2.3
164.08324	1.8
179.03447	2.0
179.10754	16.5
191.05687	8.5
201.52400	1.6
211.13464	2.1
255.03030	10.1
256.03607	1.8
283.02466	10.3
284.03244	6.5
285.03830	3.3
313.50839	1.5
446.08417	9.9
447.08829	2.0
480.34567	3.3
488.34769	3.4
494.36279	4.0
495.17010	7.4
495.36932	100.0
496.37436	12.4
633.38531	1.5
657.21863	4.5
657.42230	43.7
658.42444	6.3
672.97247	1.6
693.29346	2.4
693.40033	22.6
694.40686	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	694.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45507	0.1
58.45069	0.1
59.01373	0.8
61.98827	100.0
69.71954	0.4
71.01376	0.5
71.16422	0.1
73.48078	0.1
75.51974	0.1
83.32834	0.1
93.03461	0.1
101.02454	0.2
161.04623	0.3
162.04889	0.2
166.07668	0.1
191.05670	0.3
248.67319	0.2
259.24835	0.1
268.08975	0.2
370.61111	0.1
413.63449	0.1
471.35080	0.7
472.35254	1.0
634.18622	0.1
634.36487	0.2
643.72711	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34924	0.2
51.17163	0.2
51.77367	0.2
56.17906	0.2
58.25069	0.2
59.01380	0.8
61.98830	100.0
69.81036	0.2
69.81371	0.7
71.01370	0.3
71.39172	0.2
89.02469	0.2
94.32381	0.2
101.02441	0.2
134.80415	0.2
264.68143	0.2
294.25043	0.2
295.23050	0.2
301.07065	0.4
302.07480	0.3
469.23172	0.2
476.66589	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
59.01384	4.9
60.24797	0.6
67.01890	2.8
69.03465	4.2
69.56702	2.0
71.01384	5.0
74.70385	0.6
79.99878	0.7
83.05045	0.7
85.02949	8.9
87.00887	3.2
89.02438	0.9
93.03458	22.5
94.03729	1.1
95.04987	0.9
96.96023	1.1
98.21873	0.8
99.04549	0.6
101.02438	1.1
109.02960	1.9
111.00900	1.4
111.04530	5.7
114.98436	0.8
119.55599	0.7
120.13591	0.6
127.04012	2.2
133.02942	5.4
134.03714	2.9
135.04524	64.5
136.04855	2.0
137.02477	4.5
149.06133	1.0
151.07652	1.9
155.03510	4.2
161.02428	8.6
169.08713	1.4
173.04550	86.9
174.04933	3.3
177.01912	1.2
177.05486	1.2
179.03497	63.0
180.03891	2.8
181.34666	0.8
189.05606	0.8
191.05617	100.0
192.06000	3.4
193.93538	0.7
214.18387	0.7
215.05737	0.7
221.04616	3.2
223.58716	0.6
244.85268	0.7
251.05634	2.8
281.06607	4.9
337.85513	0.7
341.08759	5.2
351.07169	1.3
353.08762	82.2
354.09286	3.3
695.20880	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.2
67.01885	0.3
69.45055	0.8
71.01373	0.6
73.02933	0.2
74.16095	0.1
81.03445	0.2
85.02952	5.1
87.00860	1.2
87.57276	0.2
89.02423	0.2
93.03454	2.3
98.22607	0.2
99.04509	0.3
101.02457	0.2
109.02962	0.4
111.04516	0.9
127.04016	1.5
133.02936	1.3
134.03806	0.2
135.03549	0.2
135.04523	4.6
136.04845	0.2
149.06073	0.5
155.03517	0.4
161.01106	0.2
161.02443	4.1
171.02930	0.2
173.04536	1.1
177.05559	1.1
179.03494	5.6
191.05612	100.0
192.05959	2.8
193.06030	0.1
209.84735	0.2
215.05576	0.2
221.04553	1.4
222.04691	0.2
233.04533	0.2
251.05592	1.4
281.06650	2.9
282.07321	0.2
341.08725	3.8
351.07401	0.2
352.07480	0.2
353.08762	16.4
354.09097	1.2
451.12106	0.2
504.39786	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03397	0.1
59.01376	1.2
67.01881	0.2
69.24738	0.9
71.01371	0.9
73.02964	0.2
79.44783	0.2
83.05027	0.2
85.02943	5.9
87.00866	1.3
89.02438	0.2
93.03458	2.3
98.21880	0.4
99.00885	0.3
99.04508	0.2
101.02425	0.2
109.02952	0.5
111.04527	0.9
127.04013	1.7
133.02979	0.9
134.03532	0.1
135.04527	2.6
137.02463	0.2
155.03456	0.3
161.02408	1.8
171.03009	0.3
173.04538	2.0
177.01907	0.2
179.03487	2.4
191.05603	100.0
192.05943	2.0
234.87459	0.2
341.10941	0.4
351.07303	0.4
352.07211	0.3
353.08688	18.1
354.09180	1.0
410.97510	0.2
496.17044	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
57.46848	0.5
58.36181	0.5
59.01379	4.8
61.98830	7.0
62.72884	0.4
68.99831	0.6
71.01376	4.9
73.02939	2.0
79.74622	0.5
83.01394	1.3
85.02941	2.3
87.00887	0.8
88.98797	0.7
89.02448	1.3
93.03474	1.3
94.89921	0.4
95.01348	0.7
95.05003	0.5
96.69413	0.4
96.95427	0.4
96.96019	2.0
98.22793	1.0
101.02442	3.6
105.03442	1.0
105.92760	0.4
109.02930	0.4
111.00872	1.0
113.02446	2.0
116.92867	0.5
117.03480	1.8
123.04549	0.6
131.03484	0.5
132.02161	2.2
133.02959	37.1
134.03711	1.1
135.04524	15.8
146.17314	0.5
155.03514	0.9
161.02443	100.0
162.02797	4.6
163.03986	0.6
173.04546	1.2
177.01947	3.7
179.03503	7.4
191.05624	1.9
195.00438	0.5
200.63304	0.5
209.11865	0.5
216.91389	0.5
281.06613	0.7
285.03918	0.7
323.07379	0.7
372.03995	0.5
383.10172	0.6
411.48077	0.5
473.29062	1.6
609.72260	0.6
659.28870	2.0
695.29102	58.8
696.29474	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	695.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
57.46848	0.5
58.36181	0.5
59.01379	4.8
61.98830	7.0
62.72884	0.4
68.99831	0.6
71.01376	4.9
73.02939	2.0
79.74622	0.5
83.01394	1.3
85.02941	2.3
87.00887	0.8
88.98797	0.7
89.02448	1.3
93.03474	1.3
94.89921	0.4
95.01348	0.7
95.05003	0.5
96.69413	0.4
96.95427	0.4
96.96019	2.0
98.22793	1.0
101.02442	3.6
105.03442	1.0
105.92760	0.4
109.02930	0.4
111.00872	1.0
113.02446	2.0
116.92867	0.5
117.03480	1.8
123.04549	0.6
131.03484	0.5
132.02161	2.2
133.02959	37.1
134.03711	1.1
135.04524	15.8
146.17314	0.5
155.03514	0.9
161.02443	100.0
162.02797	4.6
163.03986	0.6
173.04546	1.2
177.01947	3.7
179.03503	7.4
191.05624	1.9
195.00438	0.5
200.63304	0.5
209.11865	0.5
216.91389	0.5
281.06613	0.7
285.03918	0.7
323.07379	0.7
372.03995	0.5
383.10172	0.6
411.48077	0.5
473.29062	1.6
609.72260	0.6
659.28870	2.0
695.29102	58.8
696.29474	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	695.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65425	0.3
54.30794	0.3
59.01377	31.3
60.75843	0.3
61.98829	11.7
69.24453	1.5
71.01379	1.2
71.05019	0.3
73.02940	0.7
81.34831	0.3
82.95395	0.4
85.02953	0.5
85.95560	0.3
89.02440	1.1
93.03470	0.7
95.01411	0.3
101.02443	1.5
113.02418	0.6
116.92861	0.4
119.03528	0.7
133.02956	0.7
135.04524	1.1
161.02467	1.9
161.04585	0.4
165.05591	0.3
173.04552	0.4
179.03491	0.6
191.05641	1.2
199.13335	0.3
209.06329	0.3
211.09772	0.3
221.06602	0.4
241.04660	0.3
269.04590	1.0
285.03979	0.7
302.57367	0.3
335.22141	0.7
473.32693	100.0
474.33112	8.3
487.34232	2.3
490.33408	0.5
515.33588	0.4
635.37592	2.1
695.28894	0.4
695.40509	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	696.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20719	0.1
58.41424	0.1
59.01371	1.1
61.98829	100.0
62.98541	0.2
69.08771	0.2
69.09169	0.6
71.01389	0.4
74.64428	0.1
82.95422	0.1
85.02940	0.2
87.99405	0.1
88.98842	0.1
89.02408	0.2
93.03474	0.2
96.96062	0.1
98.21799	0.2
101.02485	0.2
116.92891	0.2
125.02431	0.1
133.02933	0.6
134.03728	0.2
135.04544	0.5
161.02463	1.2
173.04607	0.2
179.03520	0.2
191.05688	0.5
240.04343	0.1
269.04614	0.7
271.56732	0.1
285.04047	0.3
371.14822	0.2
408.36380	0.1
471.30994	0.2
472.31516	0.8
473.32007	0.4
474.31943	0.6
696.37561	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.1
59.01381	32.9
61.98829	21.3
69.03448	1.6
71.01385	22.5
73.02942	2.0
78.95902	2.7
81.03452	1.7
83.01348	2.3
85.02972	5.3
87.00875	7.1
89.02443	22.3
96.14403	1.0
96.95993	1.2
97.02928	2.5
99.00864	1.5
101.02450	16.8
103.14683	1.0
111.04501	1.5
113.02449	10.1
119.03516	6.1
120.49617	1.0
125.02462	9.4
143.03496	2.2
161.04582	3.7
174.44208	1.2
179.05582	4.2
216.38673	1.1
221.06657	1.7
235.08179	10.2
237.12581	1.1
253.09317	1.8
255.23303	67.3
256.23575	2.7
287.07751	4.0
295.22861	1.4
305.08752	5.3
377.23077	1.6
397.13480	100.0
398.13605	5.6
415.14590	28.4
415.20041	1.8
542.19537	1.3
653.37531	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	697.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
59.01386	4.1
61.98834	1.9
67.01910	0.9
67.75517	0.6
69.03458	1.2
71.01376	3.4
81.03451	0.5
83.01395	1.3
85.02938	2.6
87.00877	1.1
88.98816	2.0
89.02457	1.1
93.03464	2.8
95.01379	1.0
96.40965	0.5
97.02961	0.6
98.22701	1.2
101.02439	2.8
105.03464	0.8
108.02200	2.3
109.02939	4.1
113.02468	2.0
113.64382	0.6
116.92908	0.9
117.03506	1.2
119.04980	0.7
121.02954	1.5
121.30836	0.6
123.04527	2.8
132.02159	1.9
133.02956	37.2
134.03831	3.5
135.04527	30.5
136.01659	13.5
136.04861	1.0
137.02409	2.5
145.02930	0.6
146.03711	0.8
147.04526	1.9
148.05301	0.6
149.02486	0.9
149.06085	1.8
150.03276	0.7
151.04004	9.6
155.03455	1.2
155.10768	0.7
158.03705	0.6
159.04504	1.3
160.01694	0.9
160.05263	1.3
161.02441	100.0
162.02757	4.2
163.04051	1.0
165.05521	0.6
173.02399	0.6
173.04585	3.6
174.03217	1.1
175.02501	0.7
175.03999	11.1
176.04807	4.9
177.01889	1.5
177.05548	6.4
178.02655	0.6
179.03502	21.4
180.03819	0.7
186.03227	1.9
187.03970	3.3
188.04735	1.6
189.05574	2.0
190.06279	0.9
191.05582	3.7
191.07143	1.4
193.05031	4.7
201.05527	0.7
203.03471	5.6
203.07082	1.1
204.04247	6.4
205.04919	0.8
206.05807	1.0
207.06645	1.0
218.05824	1.3
219.06615	17.0
220.03697	0.8
220.06938	0.7
221.04573	5.0
221.08061	1.7
231.06596	1.8
251.05475	0.9
255.02957	1.7
255.10316	1.1
263.05560	1.7
267.06586	1.8
273.11438	0.8
279.06384	1.0
280.05948	1.1
281.11777	0.5
282.08923	0.7
283.02341	1.2
284.03293	0.6
285.03940	2.9
294.08875	0.7
295.06110	1.0
309.07483	0.6
310.08517	3.3
310.11838	0.7
311.08932	0.6
313.10953	0.8
317.13864	0.8
323.07700	61.3
324.08093	4.1
325.10858	5.5
337.10764	0.9
340.09430	0.7
341.09476	0.9
343.11667	2.4
353.08676	1.4
355.11887	8.4
373.12531	2.8
381.86105	0.6
406.31284	0.6
459.37949	0.7
475.06247	0.7
475.12442	9.4
476.12793	0.6
498.59055	0.5
517.17126	4.6
527.15424	1.1
535.18024	1.4
543.15100	4.9
544.15106	0.7
545.16669	7.7
546.16864	1.0
551.22955	0.6
555.14581	0.9
607.11212	3.5
649.19177	6.5
650.19556	1.1
651.20410	1.6
659.30444	3.5
661.18756	1.6
661.29895	0.7
669.21686	2.1
679.20288	18.8
680.20319	3.0
694.78131	0.6
697.09656	1.1
697.21021	18.3
697.33936	1.2
698.20959	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	697.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45746	0.3
59.01379	3.2
60.99308	0.4
61.98832	2.4
69.46053	0.3
70.27090	0.6
70.27426	0.4
71.01383	3.2
73.02966	0.9
83.01423	0.7
85.02972	1.2
89.02458	0.7
93.03472	1.9
96.96031	0.7
101.02453	2.3
105.03484	0.8
107.05072	0.5
108.02171	0.7
109.02935	1.9
111.00883	0.5
111.04534	1.0
113.02469	1.1
116.92864	0.3
117.03461	1.8
119.03551	0.4
121.02999	1.2
122.02541	0.4
122.03734	1.1
123.04536	0.8
132.02167	3.1
133.02959	39.1
134.03775	5.9
135.04527	21.8
136.01662	0.8
136.05151	0.4
137.01530	0.4
137.02443	2.0
146.03773	0.5
147.04533	4.4
148.05318	1.5
149.06087	1.7
150.03233	0.7
151.04005	1.0
155.03516	2.2
158.03773	0.7
159.04524	4.1
160.01630	1.0
160.05305	6.9
161.02446	100.0
161.06042	4.7
162.02776	3.6
163.04031	0.7
164.04779	0.7
173.04559	2.9
173.06079	1.3
174.06818	0.6
175.04033	2.0
175.07651	6.5
176.04686	0.4
177.05580	4.1
178.02713	0.6
178.06374	3.3
179.03493	12.8
189.05551	0.4
191.05589	1.5
191.07095	0.3
192.07915	1.5
193.05063	1.9
193.08693	0.8
203.03540	1.2
219.06769	0.4
221.04631	2.1
228.43822	0.3
255.85057	0.3
263.05405	0.5
268.07343	0.8
269.07974	0.4
280.06039	0.5
283.09665	1.0
283.13361	1.0
284.10489	1.4
285.04089	0.6
285.11166	0.6
298.12030	1.3
299.12869	1.7
314.57983	0.3
315.12308	0.8
317.11917	0.3
323.07727	6.7
327.12296	0.5
329.13937	7.2
330.14154	0.8
347.17389	1.9
349.09082	1.1
353.08887	0.4
371.14944	1.1
373.12735	1.3
374.03333	0.4
439.00485	0.3
458.56232	0.4
503.21136	1.9
535.18079	3.8
551.20526	0.3
653.22778	1.7
665.24316	0.4
679.20038	0.9
697.20990	65.0
698.21405	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	697.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08026	0.2
57.03431	0.3
59.01376	3.3
61.98815	0.4
67.01888	0.6
68.99818	0.2
69.03462	0.5
70.10506	0.2
70.10828	0.5
71.01385	2.0
73.02950	0.7
73.73661	0.2
80.66567	0.2
81.03467	0.4
83.05032	0.3
85.02951	9.6
87.00876	2.5
87.04539	0.9
89.02445	0.5
93.03467	4.0
95.01362	0.3
97.02943	0.5
99.04552	0.4
101.02454	0.7
107.61270	0.2
109.02950	1.4
111.04529	1.3
113.02450	0.8
116.92856	1.7
117.03471	0.8
119.03526	0.4
121.02982	0.2
123.04510	0.4
125.02448	0.6
127.04008	2.6
132.02159	0.6
133.02966	7.8
134.03770	0.5
135.04532	7.2
136.01646	0.3
137.02470	0.3
137.09706	0.8
145.02942	0.3
149.06073	0.3
150.03209	0.3
155.03494	0.3
155.10797	4.0
160.01668	0.4
161.02448	28.4
162.02945	1.0
169.12390	0.3
171.03023	0.6
173.04523	1.6
175.03860	0.3
177.01955	0.6
177.09200	0.3
179.03485	3.1
179.10776	0.2
181.08740	0.5
183.35658	0.2
189.05600	0.4
191.05617	100.0
192.05995	2.3
193.04936	0.3
195.10255	0.4
199.09779	3.8
217.36197	0.2
225.11298	0.2
229.06134	0.3
241.10735	1.1
253.05243	0.2
255.12349	0.4
283.11829	1.4
299.13010	0.9
315.24371	0.3
317.13904	3.4
331.15283	0.3
343.13968	1.7
353.08752	7.9
354.08994	0.4
359.15018	1.6
360.99738	0.2
385.53168	0.3
401.16296	0.5
461.18369	1.5
479.19366	0.6
505.17184	37.2
506.17514	3.0
585.64282	0.2
653.99677	0.2
697.23468	13.9
698.23999	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	697.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81248	0.4
56.54206	0.4
57.03434	1.7
59.01377	11.1
60.99300	0.8
61.98829	4.5
67.01889	4.7
68.99827	0.5
69.03448	1.2
71.01380	11.9
72.99310	0.6
73.02938	3.2
80.02873	0.4
81.03449	1.4
82.95441	0.4
83.01389	2.0
83.05024	1.0
85.02948	5.0
87.00869	1.3
89.02435	3.1
93.03457	29.4
94.03834	0.7
95.01404	1.0
96.96009	0.7
98.22626	1.3
99.00876	1.5
99.04549	0.4
101.02439	9.7
109.02950	1.2
111.00893	2.1
111.04520	5.7
113.02453	3.9
116.92834	0.5
117.03462	0.6
119.03539	0.8
127.04007	1.0
130.48712	0.4
133.02931	2.3
134.03712	0.8
135.04576	3.2
136.04903	0.4
137.02449	6.4
138.02779	0.5
145.02908	0.8
151.00438	0.4
155.03491	5.7
159.02989	0.5
160.01695	0.8
161.02446	7.3
161.04468	1.0
163.04050	0.5
173.04546	100.0
174.04852	2.9
175.03975	1.0
177.01968	0.7
179.03497	1.6
185.11861	0.9
191.05582	2.1
193.05060	0.6
195.06401	0.4
211.03688	0.4
269.04504	3.6
284.03171	0.4
285.04050	1.8
323.07782	0.5
343.00748	0.4
347.17084	26.9
348.17444	1.9
349.09290	2.8
371.14877	1.0
427.42987	0.4
517.18585	0.7
521.22382	74.8
522.22827	8.3
637.37903	1.6
669.40601	0.6
697.26532	2.7
705.04346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.4
57.03429	2.2
57.61101	0.6
59.01379	17.0
61.98831	5.0
65.03951	1.9
67.01895	3.8
69.03448	1.1
69.93542	1.5
69.93907	1.2
71.01377	16.3
72.07443	0.6
73.02945	6.4
74.95337	0.6
80.32042	0.7
81.03444	1.3
83.01380	4.9
83.05012	1.9
85.02941	8.7
86.00101	1.2
87.00893	1.3
89.02439	2.9
93.03456	54.3
94.03772	0.9
95.01394	1.3
96.96008	1.0
97.02905	1.2
99.00891	2.4
101.02451	16.0
111.00871	2.0
111.04519	5.8
113.02435	5.2
117.03410	0.7
127.03992	1.0
127.57097	0.8
128.62100	0.7
129.01959	0.9
132.02151	1.4
133.02942	2.6
134.03752	11.1
135.04488	1.6
136.01627	2.5
137.02444	33.2
138.02750	0.7
146.03641	0.7
149.06105	1.9
151.04019	3.2
155.03503	12.9
155.68242	0.7
159.04475	0.6
160.01657	4.9
161.02452	4.1
161.04541	1.3
163.04042	1.0
173.04550	83.4
174.04881	1.8
175.04015	5.6
179.03561	0.7
185.11757	0.7
187.75063	0.7
189.01932	0.9
191.05640	2.4
193.05058	8.1
247.02835	0.7
254.95825	0.7
255.11819	0.8
269.04489	1.3
281.04608	1.4
285.03992	0.9
296.07104	1.0
299.09299	1.0
309.15213	0.7
347.17105	49.6
348.17435	2.2
349.09311	18.2
350.09692	1.3
371.15042	1.4
502.16403	1.0
505.18759	7.1
506.18887	1.1
517.18628	11.5
518.18848	1.6
521.22375	100.0
522.22791	8.1
697.27283	11.4
697.37897	1.9
698.27765	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	699.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14986	0.8
59.01378	4.9
61.98822	1.9
71.01376	4.8
73.02969	1.1
83.01383	0.9
83.22546	0.8
88.98820	1.0
89.02447	2.4
93.03467	1.1
96.96004	1.2
99.00888	1.2
101.02428	2.2
105.03473	1.5
108.02204	1.0
109.02940	2.0
113.02457	1.5
116.92860	1.0
121.02961	1.7
122.03765	1.4
123.04493	1.4
132.02194	1.7
133.02954	31.1
134.03764	4.1
135.04533	25.1
136.01662	0.9
137.02417	2.3
139.04051	1.0
145.02959	1.1
147.04514	1.5
148.05247	0.9
149.02434	2.1
149.06056	2.9
150.03210	7.2
151.00365	4.5
151.03987	1.2
159.04501	1.3
161.02446	65.9
162.02728	1.7
163.04051	1.9
165.05553	4.2
173.04529	2.6
175.04007	2.6
177.01875	1.4
177.05554	6.7
178.02747	1.9
179.03513	19.3
188.41423	0.8
189.05618	0.9
191.05606	2.2
191.07144	0.9
193.05009	1.8
199.03987	2.3
201.01921	1.3
203.03485	1.3
217.04985	1.0
220.27942	0.8
221.04517	8.1
235.06096	1.3
248.55600	0.9
251.05612	1.4
257.04550	0.9
281.06631	5.2
284.03232	5.3
285.04050	100.0
286.04364	4.4
297.37247	0.8
311.07971	1.2
323.07574	4.1
340.07855	1.7
341.08633	2.5
447.09372	1.4
477.19006	2.5
483.08615	0.9
489.19135	2.5
502.14709	1.9
507.20105	1.9
519.20557	2.1
537.16583	3.0
557.16461	1.9
609.12457	74.0
610.12799	4.9
651.20972	2.6
663.20520	1.4
681.21729	7.0
699.22345	15.9
706.89337	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	3.8
61.98805	2.9
65.00304	1.7
66.24619	1.0
67.53214	1.0
69.03440	3.8
69.10201	2.4
69.10616	4.4
69.62087	1.0
71.01373	2.5
71.69631	1.0
85.02968	1.5
89.02407	1.5
93.03461	7.2
98.22604	2.3
101.02435	1.7
109.02914	1.7
117.02731	1.6
117.03472	17.7
121.02994	1.7
123.00870	2.5
125.02390	1.8
133.02959	8.5
134.03709	2.4
135.04543	11.6
136.01654	6.3
137.02397	4.8
137.63965	1.0
149.06056	1.3
151.00354	2.0
151.03986	6.5
153.05521	1.5
155.03487	1.2
159.04486	7.4
161.02440	29.9
166.02682	1.6
173.04463	4.7
177.05493	1.6
179.03537	8.9
181.01373	1.6
182.02219	1.5
187.13318	1.4
197.04520	5.6
203.03444	2.5
223.03821	1.3
228.88516	1.2
248.25803	1.0
281.06683	1.6
285.03943	1.6
305.04340	2.5
307.06076	8.4
309.03931	1.5
323.07455	1.5
327.12332	1.7
330.05276	3.6
331.02460	1.6
331.06097	26.7
332.06265	1.4
333.03934	5.4
341.05197	1.6
341.08789	21.2
343.11658	1.3
349.18494	4.4
357.03995	3.0
357.13275	2.2
373.06964	1.6
374.04276	10.8
375.05057	78.6
376.05518	5.9
378.55054	1.0
387.04852	1.5
393.11551	1.3
399.05069	10.8
401.02832	5.2
417.06125	16.0
443.03845	4.3
519.07117	1.1
519.15009	3.2
523.23621	4.0
537.08228	12.7
537.16022	17.2
538.08990	2.0
538.16351	2.2
579.10797	3.3
699.13220	100.0
700.13745	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97931	0.7
59.01377	3.8
61.98834	4.9
63.63823	0.8
69.15620	3.8
71.01369	3.0
85.02977	1.5
87.00899	0.9
89.02423	1.9
93.03461	5.6
99.00859	0.8
101.02428	2.3
107.17193	0.8
108.02142	1.2
112.19874	0.8
117.03468	27.1
118.03784	1.0
119.03528	1.1
123.03586	0.7
123.04413	1.3
131.89610	0.8
132.02127	1.2
133.02946	13.5
134.03668	2.8
135.04539	11.0
136.04855	1.4
137.02386	1.4
143.39769	0.7
149.02405	0.8
149.06068	1.3
150.03200	1.5
151.03938	1.4
159.04504	5.1
161.02444	35.2
162.02779	3.7
165.05513	1.4
173.04564	0.9
177.05583	2.1
179.03474	9.0
183.04515	1.1
185.02419	2.7
187.00247	0.7
187.03999	1.1
191.05562	2.3
193.04970	0.7
201.01999	1.3
202.02562	0.8
203.03442	1.2
211.03969	1.8
213.01822	3.9
221.04488	2.1
227.03400	1.8
229.01566	0.7
249.04631	0.7
253.01308	1.1
254.02153	1.3
255.02971	7.0
257.00900	17.2
258.01190	1.1
269.04489	1.1
281.00839	1.1
281.06787	1.3
283.13419	2.8
285.03903	2.3
287.07153	1.0
303.06570	1.9
305.04605	4.0
306.04913	0.9
307.06140	2.7
317.04410	1.4
319.06100	0.9
323.07599	1.5
324.07761	1.0
325.07974	0.8
327.09213	1.0
329.04495	1.8
330.05417	1.1
331.06128	11.8
332.06601	1.0
333.04031	3.2
340.08182	1.3
345.04016	1.9
346.04532	1.2
363.92850	0.8
371.14954	2.9
373.03226	1.2
374.04288	8.4
375.05075	81.3
376.05460	7.1
399.04968	5.1
401.03036	4.2
416.05362	1.3
417.06036	12.7
418.06558	1.3
443.04099	5.2
536.07172	0.9
537.08295	16.5
537.16180	0.9
538.08630	1.5
545.16443	1.0
557.16577	1.3
651.19995	1.1
654.22339	1.0
655.23346	3.1
663.36108	1.7
681.22064	3.6
699.13403	100.0
699.23059	6.0
699.33173	2.9
700.13800	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94436	0.4
57.03439	0.4
57.89711	0.5
59.01382	4.3
60.10574	0.4
61.98830	1.7
67.01881	0.7
69.03459	10.8
69.26673	2.3
71.01377	3.5
73.02962	0.4
81.03452	2.7
85.02939	1.2
86.46616	0.5
87.00896	0.8
89.02457	1.9
91.01884	0.5
93.03475	0.6
95.05045	0.7
99.00906	0.4
99.04508	0.7
101.02454	1.7
107.05036	0.9
108.02197	1.1
109.02951	0.7
113.02477	1.8
117.03494	1.2
119.03510	0.6
121.06583	1.1
125.02463	2.8
132.02194	1.4
133.02957	27.9
134.03828	3.1
135.04527	44.7
136.04839	1.0
137.02437	1.2
143.03523	1.0
147.11482	0.5
147.55632	0.5
149.06094	1.5
151.00397	0.7
151.07669	1.4
152.01173	0.9
161.02446	100.0
162.02806	3.5
173.04584	0.8
177.05580	3.0
179.03494	30.2
180.03804	1.2
181.55002	0.5
191.05605	2.0
195.06610	1.0
203.03430	0.7
221.04579	3.9
243.06563	2.6
251.05609	1.1
255.02850	0.6
261.07858	0.7
269.04553	0.6
281.06772	2.7
284.03293	0.7
285.03973	2.0
293.03296	0.8
323.07712	4.1
331.11887	1.0
332.94440	0.4
349.18631	0.8
371.14600	0.5
375.12903	0.9
393.12009	6.3
475.37396	0.4
488.15390	0.8
493.17145	1.4
519.15051	15.1
520.15350	1.2
537.16150	59.2
538.16504	6.0
639.35907	0.6
699.19177	15.3
699.29584	0.8
700.18970	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	699.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76107	0.5
51.91201	0.5
59.01374	10.7
67.97206	0.5
69.03456	6.4
69.19415	2.6
71.01373	5.4
71.01662	0.5
73.02945	0.7
81.03456	1.0
85.02953	1.5
87.00850	0.7
89.02451	4.3
91.05552	0.7
93.03487	1.5
95.05022	1.2
98.21888	1.1
99.04481	0.7
101.02428	3.5
103.53059	0.6
103.73634	0.5
104.32324	0.5
104.50387	0.5
107.05021	1.4
113.02431	2.6
116.92832	1.0
117.03501	1.1
119.03496	2.0
119.35049	0.5
121.02959	0.8
121.06594	1.3
132.02173	2.3
133.02954	17.4
134.03760	3.9
135.04521	100.0
136.04811	2.6
137.02441	2.3
138.71304	0.5
149.02422	0.7
151.07634	2.2
160.01622	1.5
161.02438	83.8
162.02765	3.5
163.04189	0.6
172.25830	0.5
173.04575	1.5
178.02776	0.7
179.03488	86.2
180.03860	2.7
191.05710	2.8
194.32278	0.5
195.06613	1.2
209.04613	0.7
233.64006	0.5
284.03116	1.2
285.03900	2.3
286.11432	0.6
323.07690	16.8
324.07898	0.8
331.11755	1.3
341.08765	26.6
342.08896	2.2
363.16293	0.8
375.13174	3.5
418.41690	0.6
447.09427	2.9
493.16776	1.0
537.16040	58.7
538.16199	4.2
681.22253	1.3
699.20978	18.1
699.39185	2.6
700.20917	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	699.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15368	0.5
51.50360	0.5
59.01380	3.0
59.24598	0.5
61.98818	0.7
69.08289	0.5
71.01384	3.2
72.99343	0.5
73.02947	0.6
77.87742	0.5
85.02947	1.2
88.69964	0.5
89.02462	1.2
93.03446	0.9
96.32633	0.5
96.96021	0.8
97.02967	0.6
98.22664	1.5
101.02422	2.8
105.03466	1.1
108.02142	0.8
109.02938	4.9
111.00876	1.1
113.02484	1.5
116.92857	0.6
117.03463	1.2
121.02967	0.9
123.04497	1.1
131.05070	0.6
132.02188	1.5
133.02957	36.8
134.03796	3.7
135.04530	32.7
136.01649	6.3
136.04825	0.8
137.02469	1.4
145.02925	0.9
146.03735	0.9
148.75877	0.5
149.02585	0.5
149.06079	2.2
150.03180	0.6
151.04018	6.7
159.04538	2.2
160.01756	0.5
160.05312	1.5
161.02443	100.0
161.06097	1.8
162.02757	3.7
163.04048	0.9
165.05496	0.6
173.04567	0.8
175.03944	3.3
176.04774	1.6
177.05580	5.1
178.02747	0.6
179.03491	21.7
179.07071	0.7
180.03827	1.0
186.28160	0.5
189.05553	1.5
191.05661	1.8
191.07191	1.1
203.03493	2.2
215.03804	0.5
220.03758	0.5
221.04533	4.5
258.36093	0.5
261.34201	0.6
263.05457	1.2
267.06650	3.3
268.03751	0.9
269.08020	0.5
279.06592	2.1
280.05920	1.5
282.08929	2.2
283.09598	0.8
293.08145	0.7
294.09024	1.2
297.07962	0.8
297.11267	2.6
312.09854	2.7
313.10831	0.6
323.07715	28.6
324.07742	0.9
327.12350	6.0
331.12024	0.8
337.09244	0.9
345.15445	1.1
372.23132	0.6
431.09735	1.0
475.12454	1.0
537.16101	4.6
553.78607	0.6
667.23444	1.3
669.21790	9.4
670.22034	1.2
681.22131	2.8
699.22925	52.9
700.23334	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	699.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29264	0.6
59.01376	2.8
61.98833	0.8
69.03439	1.1
71.01379	4.3
71.45271	0.6
73.02945	0.6
85.02948	2.0
89.02458	1.9
93.03445	2.7
95.01366	0.9
95.05043	0.9
97.02956	0.6
101.02446	2.3
105.03443	1.0
108.02107	0.5
109.02970	1.0
111.00874	0.5
113.02445	1.3
115.85850	0.5
117.03429	1.3
119.03490	0.9
121.02950	2.1
122.03713	1.0
123.04514	1.3
132.02165	1.8
133.02953	33.4
134.03769	5.8
135.04526	40.0
136.04825	1.4
137.02432	2.9
145.02957	0.7
146.03731	6.6
147.04539	2.6
149.02429	8.0
149.06088	2.6
150.03232	8.8
151.04034	1.3
159.04443	0.9
160.01727	1.0
161.02440	100.0
161.05968	2.8
162.02776	2.9
163.03992	1.1
164.04794	5.2
165.05556	7.6
169.96376	0.5
173.04573	4.6
175.04007	2.4
177.01982	1.0
177.05583	5.5
178.02708	1.6
179.03490	34.2
179.06952	3.2
180.03941	1.6
185.88206	0.6
189.05507	1.1
191.05659	2.6
191.07175	0.7
193.05000	0.8
195.06618	1.6
203.03563	2.0
220.03679	0.8
221.04514	4.4
239.07027	1.0
241.05145	1.5
251.05644	1.6
256.07477	1.7
257.08072	0.8
267.06567	0.7
280.05896	1.5
281.06635	1.6
281.83524	0.6
285.04056	1.1
297.11166	0.7
312.10013	1.9
323.07690	28.4
324.07925	1.1
327.12207	2.6
337.09387	1.0
341.08740	7.8
342.08990	0.7
405.13614	2.6
416.77972	0.6
489.15640	3.2
519.15125	30.4
520.15717	2.7
533.16284	0.7
537.14667	3.3
537.23401	2.6
669.21136	0.6
676.26184	0.6
699.22852	42.5
700.23590	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	699.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74636	0.5
52.86353	0.6
59.01374	3.8
71.01389	3.3
73.02946	0.8
85.02948	1.5
86.00104	1.7
87.00885	1.2
89.02453	1.9
93.03484	1.8
95.01404	0.6
96.96008	1.9
99.00898	1.5
101.02455	2.2
101.95515	0.5
105.03504	0.9
108.02181	1.5
109.02961	1.1
113.02439	1.3
116.92866	1.2
117.03454	1.1
119.05024	1.1
121.02983	1.5
122.03732	2.1
123.04529	2.1
132.02190	3.1
133.02968	44.0
134.03787	9.3
135.04539	28.0
136.01700	0.8
136.04903	0.9
137.02431	2.5
139.04010	0.7
145.02962	1.6
145.37648	0.5
146.03729	1.1
148.05290	4.1
148.93739	0.6
149.02464	3.9
149.06097	5.1
150.03239	9.8
151.03989	2.9
160.01680	1.6
161.02455	100.0
162.02902	2.7
163.04077	3.3
163.07619	1.0
164.04817	1.1
165.05566	7.3
171.81081	0.5
173.04575	1.2
175.03999	2.4
176.04802	1.0
177.01865	1.1
177.05566	8.6
178.02739	3.8
179.03496	24.0
179.07089	0.8
180.04056	1.0
181.05040	1.4
189.05640	0.9
191.05617	1.2
191.07185	1.5
193.05042	4.4
195.06573	1.0
203.03557	0.6
207.06544	0.8
220.03711	0.5
221.04535	11.7
227.12883	3.7
235.06133	5.8
251.05630	3.5
265.06958	0.7
280.05710	0.8
281.06693	8.9
295.08151	3.9
323.07727	1.0
324.08524	0.6
327.12418	1.6
340.08072	3.6
341.08719	4.4
355.10287	1.4
471.18777	1.6
502.14905	3.5
503.15518	0.7
537.19067	1.2
557.16595	7.8
558.17145	0.8
651.20734	9.3
663.20642	3.1
681.21820	19.6
682.22583	1.5
699.22876	39.5
700.23071	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	699.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29264	0.6
59.01376	2.8
61.98833	0.8
69.03439	1.1
71.01379	4.3
71.45271	0.6
73.02945	0.6
85.02948	2.0
89.02458	1.9
93.03445	2.7
95.01366	0.9
95.05043	0.9
97.02956	0.6
101.02446	2.3
105.03443	1.0
108.02107	0.5
109.02970	1.0
111.00874	0.5
113.02445	1.3
115.85850	0.5
117.03429	1.3
119.03490	0.9
121.02950	2.1
122.03713	1.0
123.04514	1.3
132.02165	1.8
133.02953	33.4
134.03769	5.8
135.04526	40.0
136.04825	1.4
137.02432	2.9
145.02957	0.7
146.03731	6.6
147.04539	2.6
149.02429	8.0
149.06088	2.6
150.03232	8.8
151.04034	1.3
159.04443	0.9
160.01727	1.0
161.02440	100.0
161.05968	2.8
162.02776	2.9
163.03992	1.1
164.04794	5.2
165.05556	7.6
169.96376	0.5
173.04573	4.6
175.04007	2.4
177.01982	1.0
177.05583	5.5
178.02708	1.6
179.03490	34.2
179.06952	3.2
180.03941	1.6
185.88206	0.6
189.05507	1.1
191.05659	2.6
191.07175	0.7
193.05000	0.8
195.06618	1.6
203.03563	2.0
220.03679	0.8
221.04514	4.4
239.07027	1.0
241.05145	1.5
251.05644	1.6
256.07477	1.7
257.08072	0.8
267.06567	0.7
280.05896	1.5
281.06635	1.6
281.83524	0.6
285.04056	1.1
297.11166	0.7
312.10013	1.9
323.07690	28.4
324.07925	1.1
327.12207	2.6
337.09387	1.0
341.08740	7.8
342.08990	0.7
405.13614	2.6
416.77972	0.6
489.15640	3.2
519.15125	30.4
520.15717	2.7
533.16284	0.7
537.14667	3.3
537.23401	2.6
669.21136	0.6
676.26184	0.6
699.22852	42.5
700.23590	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	699.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12238	0.6
59.01368	4.6
61.98826	0.8
67.01888	21.9
67.87070	0.6
68.99814	27.7
69.03462	4.2
71.01378	3.6
73.02945	1.0
87.35744	0.6
89.02446	3.7
95.01414	1.0
95.05025	100.0
96.05348	2.0
96.95981	1.2
99.04507	0.8
101.02441	47.1
102.02815	0.8
109.02955	0.6
111.00880	22.4
111.04510	2.5
112.01680	1.1
116.92851	0.6
121.02954	22.0
123.04536	4.8
123.58241	0.6
125.02422	2.2
127.04011	63.6
128.04385	1.0
133.02933	5.8
134.03706	1.1
135.04517	14.1
136.04868	1.0
137.02443	0.9
137.06065	0.9
139.00374	53.9
139.04005	26.0
139.05106	1.0
140.00739	1.0
140.04367	0.7
147.04507	1.2
148.05251	1.2
149.02431	1.3
149.04643	0.6
149.06068	1.7
161.02441	21.2
162.02722	1.2
163.04100	0.7
165.05562	10.4
171.02931	1.6
173.04472	0.8
175.03935	0.7
177.05603	4.3
178.02678	0.6
179.03497	13.0
185.58765	0.6
191.05611	2.1
209.04532	4.4
221.04526	5.6
241.07179	38.9
242.07590	0.9
246.90752	0.6
251.05574	4.1
281.06677	10.4
285.04236	0.6
293.08743	3.9
341.08746	7.5
353.89764	0.7
477.19083	1.0
507.19968	0.7
519.19800	1.1
600.70117	0.7
637.20551	0.9
699.22357	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	699.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79879	1.3
57.03457	1.6
59.01384	18.7
61.98828	7.3
68.72372	1.4
68.99822	2.9
71.01390	10.6
73.02964	2.9
75.00883	2.6
83.01391	1.4
85.02972	3.7
87.00936	1.7
88.98799	1.9
89.02441	7.8
93.03480	4.2
95.01418	1.8
96.96033	3.5
99.00891	1.3
101.02457	6.8
109.03003	2.2
113.02449	2.8
116.92910	2.5
117.03495	4.9
119.03519	2.9
121.03006	1.3
123.00974	1.6
124.07790	1.5
133.02995	7.2
134.03696	1.8
135.04530	11.0
136.04916	1.3
137.02455	3.2
147.04532	1.5
150.03207	3.3
159.04564	3.5
160.05313	3.3
161.02458	13.7
162.02850	2.4
165.05585	1.5
165.07753	1.6
171.04622	1.7
172.05309	26.1
173.04514	1.6
173.05927	2.7
175.04074	2.2
177.02022	2.9
177.05585	1.5
178.02719	1.6
179.03523	5.8
185.06108	8.7
186.06818	2.7
187.03976	6.5
191.05696	7.0
197.06195	2.3
199.04010	6.2
200.04820	6.7
201.05573	3.2
203.03580	2.2
207.06618	2.0
213.05580	2.1
221.04572	2.1
224.05194	1.8
227.03519	26.1
227.10753	1.8
228.04277	10.5
255.13927	3.2
257.15619	2.6
269.04620	1.8
283.13416	100.0
284.13901	6.0
285.04102	5.7
301.14505	17.5
309.14984	14.3
311.12817	10.0
325.14560	3.6
327.12436	59.0
327.16077	9.0
328.12909	3.3
329.13870	7.3
341.08704	2.7
343.15311	1.8
345.13461	16.3
345.17313	2.4
346.14035	1.8
353.13895	8.5
369.13422	3.2
371.14993	97.5
372.15250	6.2
375.05096	11.2
387.14709	4.3
399.05191	2.0
501.32550	3.8
516.92218	1.6
519.16187	2.1
609.13110	2.5
655.26050	65.5
656.26697	6.2
663.36188	4.2
692.87640	1.5
699.13623	7.6
699.28809	67.8
700.29688	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	699.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59202	0.8
55.01888	1.0
57.03439	3.8
58.00596	2.0
59.01378	100.0
69.03458	2.4
69.49026	1.2
69.49422	2.5
71.01379	58.8
72.99294	1.8
73.02943	16.7
83.01416	1.4
85.02947	8.3
87.00874	2.1
89.02442	96.2
93.03457	1.6
95.01398	1.7
96.96014	2.5
97.02946	3.4
98.21912	1.1
99.00878	27.6
101.02441	34.9
113.02442	13.1
115.04002	1.1
118.06565	0.9
119.03498	13.8
125.02436	5.3
131.03502	11.1
131.07147	3.2
133.02942	1.6
135.04539	1.7
143.03513	2.7
149.04555	31.3
149.05785	1.8
149.09721	1.4
161.02440	2.5
161.04570	3.4
163.03993	1.4
164.07147	1.5
177.01888	0.8
179.04170	1.2
179.05611	8.0
183.80223	0.8
191.05612	17.8
197.98892	0.7
207.13968	1.6
221.06680	2.5
233.06612	2.1
244.02934	2.0
251.07736	2.5
293.08810	3.9
293.12372	9.3
303.48605	0.8
311.09891	1.2
323.13824	1.1
327.12479	1.0
337.09473	1.3
337.14938	0.8
365.14526	0.8
373.11658	1.0
461.20328	0.9
599.78723	1.0
699.30829	81.9
700.31763	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	700.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	9.4
62.15034	1.1
64.61182	1.6
78.95904	3.7
103.55843	1.3
105.67749	1.5
109.13544	1.4
123.47557	1.4
152.99619	2.9
206.86426	1.6
481.11542	1.8
496.13678	3.9
511.16068	2.5
512.17297	2.0
571.18384	4.7
598.20990	1.8
638.22662	1.7
657.22058	7.8
658.21802	1.8
700.22589	100.0
701.22894	19.5
717.73505	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	701.1515
Annotation	Spicatiside
Peak:m/z	Relative Intensity
52.93343	0.7
57.03431	1.1
57.23627	0.6
58.36560	0.5
59.01382	6.4
59.38971	0.6
60.04488	0.6
61.98830	30.3
65.00314	2.2
69.03442	0.7
71.01390	3.7
73.02940	0.8
81.03448	0.7
82.95379	0.7
83.01363	1.2
85.02939	1.9
87.00866	2.0
89.02443	3.1
93.03457	7.8
96.96037	0.9
101.02427	2.5
101.03029	0.6
102.29581	0.6
107.01382	2.6
109.02979	0.7
113.02449	1.4
116.92873	0.8
117.03464	20.9
118.03752	0.8
119.03490	0.7
122.03780	1.0
123.04501	0.7
125.02457	5.6
133.02936	2.4
134.03717	1.3
135.04520	6.1
136.01582	0.7
136.04861	0.9
147.38626	0.6
150.03186	2.4
151.00374	6.9
153.09206	0.8
155.05046	0.6
159.04485	7.8
161.02440	10.0
162.02962	0.9
165.05556	2.1
166.02771	0.7
173.04575	1.5
179.03477	2.4
179.04993	1.1
179.07088	0.9
180.06061	0.7
181.05028	1.5
181.06596	17.1
182.06964	1.0
183.04494	3.2
191.05629	2.4
195.06558	1.1
203.03467	2.4
207.04501	2.7
223.03951	1.9
223.07634	1.1
225.05566	40.1
226.05896	2.4
249.05577	10.3
251.03494	25.1
252.03853	1.2
267.06595	14.0
268.06839	0.7
269.04697	0.9
275.03613	4.8
285.03937	1.2
291.06665	0.8
293.04547	17.5
294.04977	1.4
296.83282	0.6
301.08621	1.3
310.93344	0.7
319.02466	5.6
329.13867	1.7
333.07593	1.8
350.18936	0.6
377.06546	2.4
387.08707	31.6
388.09039	2.5
413.06644	33.0
414.07007	2.2
477.09717	1.1
503.32504	0.7
521.08826	3.5
539.09808	100.0
540.10187	8.1
549.13953	2.2
575.11969	1.9
581.10840	0.9
581.19312	1.1
640.39752	1.0
665.37976	3.3
701.14655	14.4
701.24036	0.9
701.36255	2.2
702.15692	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	701.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
59.01377	4.3
61.98827	1.4
69.84721	0.6
71.01392	3.2
72.55405	0.6
73.02939	1.2
83.01427	0.8
85.02957	1.9
87.00889	1.1
89.02460	2.0
93.03452	1.5
95.05033	0.8
96.96017	0.9
99.00857	0.7
101.02448	2.4
105.03457	1.1
108.02165	1.5
109.02929	1.5
113.02455	1.3
117.03474	1.8
119.03491	0.7
121.02990	1.5
122.03829	0.7
123.04533	2.0
127.05125	0.6
132.02170	3.2
133.02963	45.8
134.03780	9.2
135.04532	15.5
137.02481	3.5
146.03745	1.0
147.04541	1.1
149.02464	2.8
149.06032	1.6
150.03230	6.5
151.04019	1.5
160.01680	2.7
161.02446	100.0
162.02827	3.9
163.04002	0.7
165.05576	4.2
166.06297	1.4
167.07060	0.8
173.04468	0.8
175.03970	4.0
177.05563	1.4
178.02687	3.6
179.03496	10.1
180.03955	1.1
181.08707	0.8
191.05560	2.3
191.07314	0.6
193.05069	2.1
221.04575	1.4
235.06157	1.2
281.06567	0.7
285.04108	3.8
286.04379	2.0
287.04504	1.5
345.15765	0.8
403.12589	0.6
479.20691	0.7
491.19495	1.6
497.27811	1.2
504.16315	6.8
505.16937	3.5
519.18646	2.2
521.21448	1.1
539.21344	0.9
559.18164	7.4
560.18488	1.1
611.13147	3.9
653.22345	7.6
665.22430	4.4
666.22827	1.1
683.23431	19.9
684.23981	3.0
701.24518	24.6
701.35962	1.0
702.24994	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	701.244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36355	1.1
55.01858	1.1
56.91130	1.2
57.03448	1.4
59.01378	15.3
61.98824	1.4
65.00320	5.6
68.99809	2.1
71.01381	14.3
72.99284	1.5
73.02944	3.4
76.47157	1.2
83.01372	4.1
83.05025	1.8
85.02953	4.8
87.00858	3.0
88.98806	2.8
89.02458	6.4
93.03440	3.1
95.01389	4.8
95.05024	1.1
96.43148	1.2
96.96016	3.7
97.02959	1.9
99.00890	2.3
101.02456	9.0
107.01383	4.9
109.02938	5.7
111.00921	1.6
113.02449	5.7
119.03490	1.8
121.02949	14.3
122.00056	1.8
123.00900	16.8
125.02451	9.9
133.02971	14.5
134.03696	1.3
135.04535	27.9
136.98836	1.7
137.02443	19.9
138.03284	5.9
139.00307	2.0
139.03990	4.1
145.02916	1.7
147.04514	1.4
148.04094	1.6
148.05280	1.6
149.02426	3.0
149.06088	2.2
150.03210	4.1
150.06870	4.5
151.00372	22.1
151.03957	2.1
152.00816	1.3
153.05586	10.0
155.03471	5.3
159.04477	2.7
160.05310	5.6
161.02441	43.1
161.06052	2.7
163.07637	1.6
164.08458	1.8
165.01833	3.1
165.05544	4.9
166.99855	9.2
168.00662	2.3
173.04460	1.4
175.07605	5.0
177.01932	2.6
177.05571	2.9
178.02695	1.3
178.06355	1.8
179.03491	10.6
179.10770	2.3
181.01418	8.2
181.05080	1.8
182.02216	18.4
183.02962	13.5
191.05658	5.9
191.66551	1.2
192.07887	1.4
193.04991	1.6
195.06630	2.6
196.03741	1.9
197.04535	30.4
200.21313	1.3
209.11823	5.6
219.02951	2.7
219.23549	1.3
221.04546	2.7
227.12941	2.3
234.05243	2.8
251.05615	1.9
269.04581	3.9
269.08145	13.4
270.04947	2.3
270.07846	1.4
279.08502	2.8
281.06546	2.3
283.09628	3.7
283.13138	2.8
285.03983	3.0
287.05496	5.9
298.11813	1.5
299.09152	8.0
300.09885	1.9
311.03903	2.0
311.09390	13.8
312.09894	1.6
314.11615	20.5
315.12296	4.9
323.07724	8.7
325.10983	1.6
326.06363	5.6
326.11581	13.7
327.07208	3.0
327.12082	2.4
329.10129	2.7
329.13919	37.2
330.14285	3.3
335.65228	1.3
341.08719	54.4
341.13699	10.0
342.09000	3.3
371.15109	2.5
449.11224	1.6
479.33194	1.3
509.31055	1.7
539.17999	1.9
539.32501	2.3
611.14008	24.1
612.14526	3.7
641.38171	7.7
665.25244	1.5
665.37128	1.5
683.22992	1.8
701.24481	100.0
701.37488	33.0
702.24933	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.5
61.98824	1.5
64.80668	0.5
69.03436	0.6
71.01382	3.2
73.02928	0.7
85.02966	1.4
87.00867	1.0
88.94007	0.5
89.02451	1.4
93.03465	1.2
95.05054	0.7
98.22678	1.1
101.02429	3.0
105.03446	1.4
108.02199	0.8
109.02951	1.2
113.02454	1.2
117.03504	1.7
121.02964	1.4
122.03770	1.2
123.04520	1.8
132.02194	3.8
133.02959	45.8
134.03778	9.7
135.04535	14.7
136.01642	0.8
136.04829	0.7
137.02446	4.3
139.03995	1.2
145.02974	1.0
146.03679	0.6
147.04565	0.6
149.02449	3.0
149.06088	1.3
150.03227	6.6
151.03998	1.8
159.04422	0.8
160.01660	2.7
161.02443	100.0
162.02774	3.6
163.04041	0.5
164.04852	0.7
165.05554	3.6
166.06342	1.1
167.07059	0.6
173.04597	1.2
175.04042	3.7
177.04079	0.7
177.05524	1.2
178.02742	2.3
179.03499	9.5
179.07111	0.6
179.14383	0.6
180.04010	0.8
181.05098	0.6
181.08693	1.4
191.05632	1.5
193.05042	2.4
195.06619	0.6
204.06833	0.5
221.04568	2.6
235.06108	0.9
281.06628	1.2
285.04187	2.6
286.04327	2.2
287.04449	1.5
314.11008	0.6
329.13464	0.8
390.31308	0.5
491.19302	1.3
503.33527	0.6
504.16415	6.9
505.16888	2.2
519.19116	2.4
521.20538	0.9
539.21295	1.0
559.18213	7.9
611.13263	4.2
653.22424	6.6
654.22937	1.0
665.22357	4.1
666.21899	0.7
683.23450	19.2
684.24426	3.1
701.24506	24.6
702.24976	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	701.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54777	0.6
59.01380	100.0
61.98834	1.0
69.35013	0.6
73.55252	0.5
74.61446	0.5
78.95899	0.9
82.31466	0.5
84.72684	0.5
84.95144	0.6
96.96049	0.8
97.80354	0.5
188.29370	0.6
215.54657	0.6
437.12537	1.5
438.13245	5.2
439.13559	0.8
451.14227	1.1
452.15225	2.9
480.14551	1.0
481.15216	28.3
482.15613	8.3
495.16821	12.4
496.17654	3.0
497.18301	5.0
498.18829	0.7
514.14899	1.1
523.15192	0.6
525.13898	0.9
539.15839	2.3
540.16522	13.1
541.16821	2.6
553.17090	0.8
554.18164	4.3
555.18842	51.6
556.19031	7.5
567.18518	1.0
572.15527	7.7
573.15613	2.1
586.16962	2.4
587.16949	1.5
599.30139	0.7
609.20245	0.8
627.21063	1.0
641.22504	24.3
642.22870	6.1
701.24646	59.4
702.24835	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	701.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15229	0.2
57.03447	0.4
59.01376	3.0
60.99302	1.2
61.04371	0.3
67.01886	2.8
69.03445	1.4
70.32270	0.6
71.01382	2.3
73.02939	0.8
75.17552	0.2
81.03449	1.0
83.05025	0.9
85.02952	4.4
87.00884	5.7
89.02438	0.8
93.03461	22.2
94.03774	0.5
97.02937	0.3
99.00869	0.6
99.04528	2.2
101.02435	0.8
107.05059	0.3
109.02956	0.7
111.04525	3.2
113.02436	0.8
119.03561	0.6
119.04236	0.5
119.05032	7.5
121.02962	1.7
124.74439	0.3
127.03991	1.3
129.01904	0.5
133.02956	0.8
135.04521	0.8
137.02455	0.4
145.02963	1.2
151.03917	0.3
155.03502	0.5
157.71027	0.4
160.40891	0.3
161.02420	0.5
163.04025	7.3
165.05568	0.5
171.03050	0.4
173.04556	8.6
191.05614	100.0
192.05972	2.5
237.51663	0.3
337.09293	34.9
338.09637	2.0
346.59583	0.3
351.07172	0.4
353.19647	0.3
363.16592	4.4
364.16861	0.4
539.16730	0.4
701.20306	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	701.354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.4
59.01360	2.0
60.09961	0.8
60.99301	5.8
61.98820	1.4
67.01883	15.5
69.03447	4.6
69.91246	0.7
70.50304	1.1
71.01370	2.8
81.03454	2.6
82.95408	2.6
83.05008	2.8
85.02928	1.4
87.00873	18.2
93.03454	100.0
94.03793	2.0
96.95992	2.1
97.02878	1.0
99.00896	2.1
99.04476	1.2
105.03448	1.9
107.99081	0.7
109.02932	2.7
111.04523	11.8
113.02397	0.9
129.01942	1.8
133.02943	10.1
134.03726	4.2
135.04532	10.3
137.02406	1.7
155.03470	3.1
173.04539	42.4
177.01924	3.1
178.02708	3.3
179.03435	5.6
191.05603	15.3
192.05896	0.9
215.05559	3.6
218.64481	0.9
256.15829	0.9
351.07217	10.4
353.08456	0.9
509.29559	0.9
534.73199	0.9
701.35358	73.6
702.35577	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	701.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	4.5
59.26991	1.6
60.99294	5.9
61.75568	2.0
61.98820	5.5
67.01894	14.8
69.03439	2.0
70.60596	3.8
71.01369	7.3
76.00954	1.8
78.95907	3.1
80.91666	1.7
81.03458	2.8
83.05030	3.0
85.02953	3.1
87.00875	18.0
91.03949	1.7
93.03458	100.0
94.03816	2.6
96.95979	2.7
99.00858	2.3
111.04525	13.2
133.02933	11.6
134.03712	5.5
135.04509	8.4
139.16365	1.7
155.03517	2.7
173.04538	34.4
177.01906	3.6
178.02631	4.8
179.03445	4.9
186.35724	1.9
191.05624	18.7
215.05627	4.0
223.85327	1.7
255.23169	3.0
351.07233	10.9
353.08749	2.3
425.39301	2.0
592.26904	1.9
701.35333	71.9
702.35858	11.4
723.07550	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	701.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.3
57.03445	1.6
59.01379	31.7
61.98831	10.3
68.99796	1.5
69.03432	2.0
69.13443	2.4
69.13838	4.9
71.01379	32.2
72.99305	2.3
73.02952	11.9
75.00846	1.8
78.95896	1.8
81.03517	1.8
83.01388	5.4
85.02954	16.0
86.00063	1.9
87.00875	3.1
88.98837	2.1
89.02448	10.4
93.03481	2.7
95.01379	3.1
96.96001	4.6
99.00867	4.1
101.02444	27.9
109.02959	1.6
111.00855	2.6
113.02440	14.1
116.92752	1.3
119.03501	4.6
119.81198	1.3
123.04555	1.7
125.02487	2.2
133.02948	13.9
134.03703	4.2
135.04526	10.2
137.02437	3.9
143.03465	1.7
150.03206	5.2
151.03967	2.6
159.03056	2.1
159.04482	1.3
160.01492	1.4
161.02454	31.7
161.04558	5.3
162.02740	3.1
163.04070	1.5
165.05681	1.6
173.04587	2.2
175.04054	2.2
177.05577	3.0
178.02745	1.6
179.03503	8.0
191.05634	8.3
193.05107	3.0
217.10760	1.6
221.04463	1.6
270.36050	1.5
280.07767	1.4
283.13440	2.5
284.03149	1.4
285.03912	2.7
335.22455	2.1
371.15002	2.7
427.32126	5.5
439.26730	1.4
439.32196	4.7
459.34653	6.2
503.34299	7.0
541.83105	1.4
549.26025	1.7
621.40027	10.6
665.39087	100.0
666.39325	13.0
669.27563	1.6
671.26868	1.8
683.23804	3.8
701.24866	8.9
701.36774	97.8
702.27264	3.0
702.37170	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	703.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.1
67.01889	19.1
68.84223	0.5
68.99818	26.5
69.03458	3.6
69.35363	2.7
71.01379	1.9
89.02454	1.4
93.03442	0.8
95.01409	1.3
95.05029	100.0
96.05370	2.0
97.02969	0.8
98.21886	1.4
99.04551	0.8
101.02444	47.3
111.00885	19.8
111.04527	1.8
112.01696	0.8
113.02429	0.7
121.02959	18.6
123.04500	4.7
127.04015	62.6
128.04355	1.3
133.02953	1.1
135.04533	2.5
139.00380	54.0
139.04007	28.2
140.00694	1.2
140.04369	0.7
147.04532	1.1
149.02452	0.9
155.03548	0.7
161.02464	3.3
165.02049	0.6
165.05571	10.7
166.57301	0.7
171.03021	1.1
179.03568	1.6
191.05675	0.9
209.04515	5.2
241.07190	42.2
242.07483	1.8
255.02953	1.7
256.03656	0.8
264.19858	0.6
283.02460	1.3
284.03250	28.3
285.03619	1.6
299.05627	28.3
299.08368	0.4
300.05969	2.1
347.17120	1.0
349.17960	0.7
461.10666	0.8
595.07013	0.7
612.29694	0.6
703.24463	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.3
59.01382	14.0
61.85187	0.8
61.98832	15.6
69.03468	2.1
71.01388	11.2
73.02944	3.7
83.01377	2.1
85.02960	4.8
89.02448	5.2
93.03451	2.4
96.95927	1.1
99.00892	1.5
101.02451	8.3
107.03780	1.1
113.02451	3.9
119.03457	2.2
122.02473	1.2
122.06125	4.2
125.02406	1.9
131.03528	1.4
133.02965	10.3
134.03748	6.6
135.04536	27.6
137.02423	3.3
152.07158	6.6
155.03517	1.1
155.10779	2.1
158.32028	0.8
161.02446	26.0
161.04556	2.8
173.04611	6.0
179.03502	17.7
179.05557	1.9
180.22533	0.9
185.06015	1.2
191.05597	2.2
195.10301	5.2
227.03493	1.1
228.04314	1.0
265.09940	2.1
268.03101	0.9
269.04626	1.6
283.13315	2.8
285.04037	2.1
293.09335	5.6
305.09122	1.5
319.22739	3.9
323.09824	2.5
329.14139	1.5
355.18979	1.1
357.20642	2.6
371.14905	4.3
373.20117	2.5
415.38736	0.9
436.60150	0.9
437.53583	1.1
458.17047	1.3
502.16339	4.3
503.33804	1.3
517.17749	1.3
517.24652	1.0
529.26740	2.5
535.25476	10.0
563.23401	1.2
595.24756	0.9
606.15851	2.0
639.24402	7.4
640.25012	1.2
643.33472	12.8
644.33643	1.1
659.27527	2.0
665.37195	1.0
667.29706	100.0
668.30017	12.3
671.27197	2.4
703.31769	4.5
704.24182	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	703.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01041	0.8
57.03430	0.9
59.01109	1.1
59.01380	14.8
61.98832	14.8
68.99825	0.8
69.03443	1.5
71.01380	12.7
72.99323	0.9
73.02966	4.1
83.01390	0.9
85.02946	4.6
87.00874	1.5
88.98761	1.1
89.02454	6.2
93.03444	3.6
95.01397	1.8
96.95998	1.7
97.02952	1.0
99.00890	1.2
101.02442	8.3
104.60540	0.8
107.03699	0.8
113.02438	4.2
119.03493	2.2
121.02972	0.8
122.02500	2.1
122.06096	5.0
125.02427	1.2
131.03511	1.7
133.02960	9.9
134.03745	9.4
135.04529	33.2
137.02441	3.1
143.03456	1.3
150.03233	1.5
151.04111	0.9
152.07176	7.5
155.03400	1.2
155.10757	3.4
160.05388	0.7
161.02440	26.2
161.04576	2.6
161.06085	1.5
173.04536	6.9
178.02664	1.0
179.02031	1.2
179.03503	20.9
179.05200	1.3
179.05676	1.0
182.65125	0.8
191.05574	1.7
195.10292	5.3
199.09747	0.9
221.04362	0.9
237.10413	1.3
248.74155	0.7
265.09698	1.5
269.04504	2.5
278.06897	0.9
283.13330	2.2
285.04022	2.0
291.07840	0.8
293.09290	4.5
305.09137	2.2
319.22760	5.2
323.09695	2.4
327.12476	1.6
346.74249	0.9
355.18961	1.1
357.20786	2.0
371.14874	2.2
373.20154	2.1
379.98477	0.8
398.14935	1.1
432.14331	1.0
458.16864	3.0
502.15970	4.9
503.33466	1.1
505.34299	0.9
507.34235	1.2
517.18292	2.6
529.26471	1.9
534.19067	1.3
535.25317	9.1
536.25507	1.3
549.20514	1.2
563.22821	1.5
595.25336	1.0
606.15717	1.9
634.09375	0.9
639.24463	8.6
640.25336	1.6
643.33221	13.7
659.26746	1.8
667.29694	100.0
668.30054	12.5
671.27417	3.6
703.30359	3.4
704.24744	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
57.03432	0.6
58.00593	0.4
59.01377	46.9
61.98819	0.8
67.01921	0.2
69.03459	1.0
71.01378	21.4
72.99320	0.7
73.02952	1.3
81.03461	0.3
83.01383	1.5
84.49093	0.3
85.02950	4.3
86.40310	0.3
87.00898	0.8
88.98788	0.3
89.02442	19.3
93.03455	0.7
95.01366	1.5
96.96019	0.8
99.00885	0.3
101.02441	14.4
109.02962	2.8
113.02441	7.2
119.03495	7.0
121.10265	0.9
123.04607	0.3
125.02464	0.5
127.04053	0.3
131.03523	0.3
133.02953	2.7
133.06572	0.6
134.03720	0.4
135.04512	1.7
137.02452	0.6
139.00316	0.4
147.04552	0.9
148.05351	0.4
149.04529	0.6
150.03227	0.8
150.53693	0.3
151.00391	0.3
159.04526	3.5
161.02434	5.2
161.04472	0.3
162.02872	0.5
163.07738	0.3
165.05586	0.7
165.09196	8.6
177.01939	0.6
177.05562	0.4
179.03511	1.9
179.05582	0.4
180.04160	0.3
181.05124	0.5
183.10286	1.4
191.05614	0.7
196.16556	0.3
221.04466	0.6
231.16020	2.4
235.06140	0.3
269.04614	3.8
269.08185	1.6
281.06696	0.4
340.07925	0.9
341.08624	0.4
345.15518	100.0
346.15833	4.1
471.18616	0.5
506.14752	0.8
697.93103	0.3
703.28436	13.8
704.29053	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65087	0.3
59.01382	6.7
61.98829	5.1
69.71897	1.3
71.01381	5.5
73.02952	0.8
76.23923	0.4
77.01150	0.4
82.95426	0.6
85.02942	0.9
87.00896	0.4
89.02448	6.6
90.76878	0.3
90.94216	0.3
95.01343	0.4
96.95960	0.4
97.51730	0.3
98.21504	0.4
99.00905	0.4
101.02435	3.5
113.02448	2.4
115.50240	0.5
119.03491	4.1
125.02440	2.5
131.03519	1.0
133.02942	0.6
135.04501	0.8
143.03494	1.4
161.02440	0.8
161.04549	1.6
179.05608	4.9
191.05609	0.6
205.83810	0.4
209.11816	1.0
221.06612	2.6
242.55392	0.4
246.27951	0.4
248.27228	0.4
262.74762	0.4
263.07532	0.9
269.04495	2.9
270.04950	1.8
270.09180	0.4
285.04111	0.8
285.11563	0.6
308.86838	0.4
319.22766	100.0
320.23135	6.3
323.09818	18.9
499.10403	1.0
515.94189	0.4
640.21198	1.0
643.33380	7.8
644.34015	0.7
703.16956	0.7
703.35065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.7
61.98534	0.7
61.98835	6.8
63.31836	0.4
68.15834	0.4
68.99793	0.5
69.03453	0.6
71.01381	6.7
73.02963	1.2
79.48030	0.4
85.02946	1.6
87.00885	1.8
87.04519	1.4
88.03979	0.4
89.02444	88.2
90.02767	0.8
93.03462	1.3
96.60518	0.6
96.96001	1.0
97.02934	0.5
97.06561	0.7
99.04536	0.5
101.02433	2.2
107.69116	0.5
109.02960	1.2
113.02466	1.2
121.02964	1.0
133.02966	2.1
134.03714	0.9
135.04515	2.2
136.01682	0.6
137.02437	1.0
137.32645	0.4
147.04460	0.5
149.06070	1.1
150.03247	1.6
150.06859	19.3
151.00348	1.1
151.07562	0.8
153.01917	1.9
159.04504	0.7
161.02454	3.6
163.07660	4.4
164.08446	2.4
165.05553	2.1
166.02776	1.1
173.04594	1.0
177.09215	0.6
178.10025	1.1
179.03519	2.1
179.10780	10.4
181.05081	2.4
191.05608	2.8
195.06569	0.8
209.11638	0.5
239.55484	0.4
243.98262	0.5
265.04971	1.5
269.04501	0.9
283.06046	0.7
284.03189	0.5
285.03876	1.1
320.19803	1.2
321.20340	0.6
327.12238	0.7
335.22409	2.7
371.14838	0.6
392.25729	2.7
406.27097	1.8
407.27988	17.4
408.28406	1.6
415.28613	1.2
433.29773	2.7
477.32025	1.2
478.33212	0.7
523.32935	0.8
540.33014	1.0
541.33527	3.0
629.22180	1.0
685.26672	1.0
703.39087	100.0
704.39453	14.2
719.52917	0.5
734.13104	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.2
59.22531	0.1
60.01716	0.6
61.01821	0.2
61.98828	100.0
113.37856	0.2
125.57950	0.2
254.84532	0.2
440.13464	0.3
441.13461	0.3
454.15237	0.2
482.15546	0.5
483.15359	0.8
484.15384	1.8
496.16684	0.3
497.16800	0.2
498.17191	0.6
500.18756	0.2
542.16608	0.3
543.16809	0.7
556.18951	0.4
557.18860	1.5
558.19153	3.8
574.15851	0.3
575.16022	0.5
589.17224	0.3
643.22668	0.3
644.22784	1.9
645.23541	0.2
704.24591	6.6
705.23883	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34657	0.5
56.41336	0.4
58.39017	0.5
59.01379	6.4
61.98826	5.3
63.02400	0.9
65.00330	1.4
68.99809	0.6
71.01392	5.2
72.99292	0.4
73.02953	1.1
77.09402	0.5
82.95440	0.6
83.01389	1.6
85.02961	1.8
87.00876	1.9
89.02437	3.2
93.03471	0.8
95.01382	0.5
96.96006	1.3
97.02970	0.5
97.42686	0.5
101.02437	4.4
105.72942	0.5
107.01395	1.8
109.02971	1.6
113.02437	1.8
116.92891	0.5
119.03522	1.3
121.02932	1.0
125.02451	1.1
133.02946	7.7
134.03726	0.6
135.04507	5.9
137.02466	1.2
149.02443	1.6
150.03229	0.8
151.00362	5.5
151.03981	0.6
159.04486	1.2
161.02443	5.3
161.04486	0.8
165.05563	0.8
171.04491	0.7
172.05345	3.0
173.04585	1.0
173.06052	1.0
175.03998	3.1
177.01869	0.9
179.03542	3.7
179.05675	0.8
179.31329	0.5
180.03908	0.5
185.06065	0.7
186.06900	1.3
187.04045	0.9
187.07639	9.6
189.05600	1.3
191.05589	2.1
197.06059	0.9
199.03963	3.2
200.04723	1.4
201.01959	1.0
211.04018	0.7
211.07716	0.5
213.05528	0.9
213.09131	1.1
214.06409	0.5
215.07127	4.4
217.04929	0.8
223.03940	0.6
227.03503	1.6
228.04291	0.9
229.08633	1.2
231.06621	4.0
231.10275	1.4
240.04184	2.0
241.05016	1.4
243.02994	0.6
255.02985	1.1
255.10411	0.6
257.04575	0.9
257.08237	3.0
269.04538	4.3
273.07483	0.6
283.02393	0.6
284.03275	11.4
285.04034	100.0
286.04413	6.5
327.12338	0.5
331.12357	0.6
343.11801	0.6
347.17126	0.8
371.15076	0.5
375.10669	1.4
419.13632	0.7
447.09421	2.6
489.10272	2.1
507.35483	0.7
645.34912	1.1
658.65839	0.6
661.15619	7.9
662.15771	1.0
667.29462	1.5
667.39490	2.6
668.39539	1.4
669.31317	0.8
669.40643	14.8
687.16925	4.5
704.36676	0.9
705.18311	29.7
705.37579	15.9
706.18390	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	705.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21088	0.4
59.01384	3.9
61.98826	3.4
63.02405	1.5
65.00353	1.3
68.99811	0.5
71.01379	2.5
73.02942	0.8
74.80669	0.3
83.01418	0.8
85.02959	1.4
87.00902	0.7
88.98840	0.5
89.02460	1.8
93.03468	0.9
96.96035	0.5
101.02449	2.0
107.01402	2.0
109.02977	1.3
113.02467	1.0
119.03505	0.5
121.02960	1.1
125.02477	0.5
133.02957	7.7
133.03865	0.6
135.04530	2.1
137.02505	0.6
138.79646	0.4
145.02957	0.4
147.04572	0.4
149.02480	1.7
150.03239	0.7
151.00380	4.7
152.01221	0.5
159.04503	1.3
161.02449	2.1
161.04642	0.6
172.05312	3.0
173.04555	0.5
173.06003	0.5
175.04007	4.1
177.01961	0.8
179.03476	1.3
179.05565	0.6
179.52675	0.4
183.04460	0.8
185.05994	0.6
186.06894	0.9
187.04022	1.3
187.07631	11.1
189.05574	1.2
191.05624	1.1
198.53320	0.4
199.03995	3.7
200.04767	1.4
201.01962	0.7
201.05609	0.7
202.06363	0.5
211.03981	1.1
213.05649	0.8
213.09227	1.0
215.07118	4.9
217.05057	1.3
227.03546	0.9
227.07069	0.4
228.04276	0.6
229.05028	0.6
229.08772	0.9
231.06647	4.3
239.03400	0.7
240.04213	1.3
241.05161	0.7
243.03008	1.0
255.02901	0.9
257.04568	0.6
257.08170	2.2
260.01962	0.5
269.04547	2.8
284.03271	8.3
285.04044	100.0
286.04367	4.4
300.87985	0.4
335.22433	0.5
375.10959	1.0
390.02261	0.4
419.13474	1.0
446.08051	0.5
447.09381	2.6
483.27753	0.4
489.10095	2.5
643.88733	0.4
645.35303	0.6
661.15613	8.7
662.16382	0.8
667.38977	1.1
668.38818	0.7
669.40564	6.0
687.17194	5.5
688.17151	0.5
705.18188	30.8
705.37189	8.3
706.18396	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	705.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92596	0.4
59.01386	1.7
66.45513	0.4
67.01877	0.6
69.03465	0.9
70.50324	0.5
71.01369	2.1
75.89208	0.4
85.02950	1.3
87.00887	1.3
89.02455	1.0
91.05585	0.4
93.03454	2.2
95.05038	1.3
96.96014	2.7
97.02968	1.2
99.00872	0.6
101.02457	1.5
107.05019	0.5
109.02942	0.7
115.00390	0.6
119.05029	82.7
120.04569	0.4
120.05377	1.9
121.02896	0.6
123.04504	0.6
127.04014	1.3
133.02980	1.7
135.04514	1.0
139.00319	0.6
147.04524	0.7
161.02467	0.8
161.04568	0.5
163.04013	100.0
164.04329	2.1
164.07159	0.8
173.04570	2.1
177.01938	0.7
179.03415	0.7
191.05611	11.9
192.05957	0.5
229.01480	2.6
244.02844	1.1
245.03038	0.5
265.05014	0.5
271.64758	0.5
283.98639	0.4
293.04578	0.6
295.06165	1.1
297.48746	0.5
309.67065	0.5
321.04037	1.8
325.09265	20.6
326.09604	0.7
339.05045	2.1
351.07321	0.9
373.11237	0.8
379.16000	2.0
418.73343	0.5
463.10980	2.2
513.10272	3.3
626.48822	0.4
626.87238	0.5
705.15948	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	705.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.4
61.98826	2.8
64.36082	0.3
66.77224	0.2
68.99790	0.4
69.03437	0.3
69.57181	0.6
71.01385	1.7
73.02939	0.8
83.01353	0.4
83.73583	0.3
85.02962	1.1
89.02454	1.0
90.77262	0.3
93.03457	0.8
96.96017	1.5
97.02959	0.3
98.21767	0.3
101.02462	2.0
106.06580	0.3
111.71006	0.3
113.02461	0.5
116.92838	0.3
119.03461	0.4
121.02930	0.5
122.06129	0.7
123.03288	0.3
133.02948	0.5
135.04507	1.2
136.04057	0.5
137.02475	0.3
152.07149	1.0
155.03493	0.7
157.17477	0.3
161.02480	1.1
161.04651	0.4
179.03551	0.7
179.05566	0.3
186.09406	0.3
190.05127	0.4
191.05602	1.1
200.10760	0.4
212.33562	0.3
213.06682	1.3
214.07162	2.0
214.09100	0.5
215.08253	0.8
221.87445	0.3
227.11745	1.4
228.09003	0.6
229.09735	5.0
230.10336	0.3
231.07777	0.3
231.11298	0.8
243.11383	9.7
244.08595	1.8
244.12149	4.9
245.09344	2.2
255.11400	4.4
257.09311	23.8
258.09653	1.1
259.10849	10.0
260.11566	2.5
269.04556	0.7
271.10895	0.8
272.11658	14.5
273.12427	2.1
275.10370	12.7
277.12009	0.4
285.04117	1.0
290.12732	9.8
291.13141	0.4
303.09894	1.0
316.10703	3.8
317.10666	0.4
331.13007	3.8
334.11691	6.1
347.17099	3.6
349.14032	100.0
350.14398	3.6
355.13141	2.1
597.23651	1.3
629.26086	3.8
630.26447	0.4
645.34717	0.5
705.29590	2.1
705.44348	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
55.19310	0.5
57.03471	1.3
59.01378	14.9
61.85460	0.6
61.98833	1.1
63.76084	0.5
67.01893	8.3
68.79140	0.5
68.99812	7.6
69.03442	3.3
69.66779	1.1
69.67128	1.4
71.01377	19.1
72.99303	0.6
73.02943	8.5
75.00884	0.9
83.01381	4.4
85.02950	13.4
86.00074	0.8
87.00871	1.5
89.02467	2.9
93.03456	2.3
95.01399	2.6
95.04412	1.4
95.05024	28.7
97.02933	1.1
99.00905	3.1
99.01466	0.6
99.04519	1.0
101.02440	32.5
111.00883	5.6
112.01642	0.7
113.02450	12.6
121.02953	5.9
121.06547	0.6
122.03741	5.6
123.04547	1.1
125.02434	2.9
127.04015	19.1
133.02937	0.7
135.04565	1.1
137.02466	0.9
139.00380	9.9
139.04001	6.4
143.03479	1.9
149.02480	1.0
150.03221	44.8
151.03615	0.9
159.02995	1.6
161.02440	2.0
161.04536	6.5
165.05562	55.7
166.05888	2.1
185.11803	1.7
191.05594	2.2
195.06699	0.6
197.26376	0.7
209.04597	1.1
213.07581	3.2
241.07166	9.2
319.14227	0.6
329.16040	30.1
330.16360	1.6
347.17090	100.0
348.17450	5.3
371.17200	1.1
389.18134	7.5
390.18292	0.7
401.17987	0.7
413.18265	2.2
431.19351	1.0
443.19174	4.6
451.03296	0.8
491.21335	9.8
513.10376	1.6
674.19562	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22709	0.3
55.01877	3.1
57.03445	2.2
58.00604	0.3
59.01381	26.8
69.03461	2.0
69.19952	0.3
71.01383	19.6
72.99306	0.6
73.02947	9.9
74.03267	0.3
75.00896	0.3
81.03484	0.7
83.01389	6.9
83.38898	0.3
85.02953	13.6
86.00112	1.8
87.00882	1.5
89.02451	4.3
95.01375	2.0
97.02979	0.6
98.21797	0.6
99.00893	2.6
101.02447	27.1
102.02829	0.4
111.00900	1.1
113.02451	8.3
119.03503	1.0
125.02477	0.7
129.01920	0.4
131.03508	0.3
133.06618	1.0
133.87247	0.3
143.03525	0.5
159.03069	0.9
161.04556	1.4
185.11841	2.2
211.13376	0.4
229.33786	0.3
303.18027	0.5
347.17108	100.0
348.17450	6.8
375.13223	0.4
481.24762	0.3
668.77576	0.3
705.29742	27.2
706.30096	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	705.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.9
57.03444	2.7
59.01114	2.5
59.01381	35.0
61.98533	2.4
61.98827	25.8
64.87983	1.5
69.03454	2.6
71.01386	44.1
72.44190	1.4
72.99306	4.2
73.02946	13.6
75.00876	2.6
83.01412	8.1
83.05015	2.3
85.02953	17.4
87.00877	4.3
88.98788	2.6
89.02445	17.4
93.03420	2.0
95.01360	3.3
96.95966	1.8
97.02917	2.6
99.00860	3.1
101.02448	36.4
106.06598	2.3
107.01389	2.5
111.00921	2.6
111.97945	1.8
113.02458	14.0
116.92857	2.1
119.03471	6.6
125.02441	4.9
131.03471	2.3
133.02919	9.1
134.03714	4.2
135.04530	11.2
143.03436	1.6
151.00366	8.1
155.03474	1.7
159.02994	3.9
161.02507	14.3
161.04559	15.2
161.05756	2.6
173.04573	2.0
177.01967	1.9
178.02740	2.3
179.03503	4.8
179.05655	4.2
191.05592	6.2
209.11780	5.9
221.06497	2.6
240.04312	1.9
245.06671	1.6
253.09854	2.3
255.02936	2.2
269.04568	15.8
270.04907	3.6
280.54300	1.7
284.03293	20.1
285.04019	35.3
286.04541	3.8
293.10284	2.3
313.03595	4.1
321.24356	2.5
323.09683	1.9
353.92780	1.7
408.93091	1.7
483.29675	14.9
511.16046	6.1
533.04846	1.9
536.68341	2.1
537.27197	2.5
607.11060	1.9
608.11633	13.4
609.12201	2.4
629.22406	3.3
642.23639	2.3
645.34882	100.0
646.35352	9.5
669.30933	15.1
669.40344	3.3
670.32025	2.2
673.21252	4.2
705.18353	2.8
705.37970	5.0
706.18988	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	705.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	15.6
61.38622	0.8
61.98836	8.0
65.00316	1.0
71.01016	0.9
71.01385	11.4
73.02939	3.5
83.01398	2.0
83.68449	0.8
84.36084	0.8
85.02954	4.8
87.00860	1.6
88.98810	1.8
89.02441	8.0
95.01375	1.6
97.02959	0.9
98.21810	2.0
99.00890	1.5
101.02447	12.4
107.01379	1.0
108.02162	0.8
109.02898	1.0
110.72768	0.7
111.00863	1.4
113.02464	5.4
119.03495	2.0
121.02954	2.3
125.02459	1.7
133.02950	3.2
135.04494	2.4
137.02412	1.5
143.03503	0.9
150.03117	1.1
151.00342	3.0
153.05516	1.0
159.03036	1.1
159.04279	0.9
161.02458	5.3
161.04584	1.2
165.69145	1.0
173.04539	1.5
175.03954	1.3
179.03540	2.0
179.05620	2.6
181.08723	2.2
187.07616	2.0
191.05608	3.5
199.04002	1.2
209.11836	1.6
215.07140	1.7
217.05150	1.1
257.08258	1.1
269.04578	5.2
270.04962	1.4
284.03342	4.3
285.04053	40.4
286.04385	2.0
293.08783	3.3
326.79367	1.0
345.30005	1.6
371.15192	1.0
447.09021	1.3
474.01093	0.9
507.35315	2.7
543.20490	1.1
593.13513	1.0
645.35107	1.6
667.39246	4.4
668.39606	1.3
669.40656	100.0
670.40955	10.9
687.18066	1.9
705.19043	7.0
705.38245	46.9
706.19153	1.4
706.38794	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	705.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59003	1.1
59.01372	16.8
61.98824	6.5
66.69676	1.0
68.94370	1.0
69.03437	1.3
69.08507	7.9
71.01371	11.1
73.02956	2.4
83.01411	1.5
85.02952	6.3
87.00904	1.4
88.98820	2.0
89.02439	8.0
96.96001	1.9
97.02933	1.9
99.00909	1.4
101.02425	11.5
109.02918	2.1
109.06602	4.2
113.02447	4.8
116.92878	1.2
119.03523	2.2
125.02460	1.4
126.90407	5.0
133.02916	3.3
135.04521	6.1
137.02415	1.6
161.02443	6.4
161.04552	1.3
163.11298	2.8
179.03429	3.1
179.05508	1.4
191.05621	3.6
203.34056	1.1
207.10260	3.8
225.11290	1.5
269.04626	5.7
284.03250	2.8
285.04004	16.2
286.04324	1.5
293.08603	1.3
345.30182	1.8
359.84869	1.1
371.14920	1.7
507.35580	3.4
553.42462	1.1
645.34680	2.6
651.37738	4.8
667.39032	3.0
669.40631	100.0
670.41083	10.7
705.18848	2.0
705.38257	45.5
706.38452	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	707.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
55.43427	0.1
56.24469	0.2
57.03440	0.5
58.37568	0.1
59.01380	26.8
61.98826	0.6
67.01905	0.3
68.68880	0.1
69.03445	0.3
71.01380	3.6
73.02955	1.6
78.91541	0.1
79.95741	3.3
83.01385	0.9
85.02951	1.4
87.00880	0.3
89.02441	0.9
93.03456	0.7
95.01398	0.5
95.05019	0.2
96.96013	100.0
97.02966	0.4
97.95949	0.4
99.00897	0.9
101.02453	2.5
107.01387	0.3
109.02948	0.3
111.00890	0.2
113.02463	1.3
116.92816	0.2
119.03481	0.3
119.05032	0.3
123.04522	0.5
125.02419	0.3
125.09689	0.2
127.04012	0.4
127.11217	0.2
129.01892	0.3
133.02943	0.7
134.03642	0.2
134.70491	0.2
135.04526	0.8
136.01645	0.4
137.02501	0.3
139.11298	1.2
143.03528	0.3
143.48660	0.1
145.02898	0.3
149.02443	0.2
149.06169	0.2
151.00343	0.6
151.04004	0.3
155.03545	0.8
159.02972	0.4
160.08781	0.4
161.02502	1.2
161.04555	3.9
163.11295	0.3
164.01175	0.4
165.05632	0.2
167.03470	0.2
173.04495	0.7
175.04025	0.3
177.01974	0.2
179.03470	0.2
181.12315	1.4
183.10283	1.6
191.05643	0.8
197.11803	0.3
199.03937	0.3
199.13394	1.8
201.01941	0.2
207.10262	1.5
213.05499	0.7
225.11334	3.6
240.04071	0.2
241.02809	0.3
241.05064	3.4
242.05760	0.3
243.12375	12.0
244.12396	0.2
256.07428	2.6
257.08145	0.3
271.06741	0.2
271.09732	3.7
284.03146	0.3
285.01141	0.3
285.04044	3.9
286.04337	0.3
301.03879	0.2
301.07156	3.7
305.10098	0.2
319.11777	0.5
339.09045	0.2
387.16296	0.4
481.34222	0.2
511.03436	0.2
545.18689	0.2
609.12451	4.9
610.11938	0.5
646.54272	0.2
647.06232	0.2
647.34332	2.5
671.38214	0.2
707.29303	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.2
59.01375	1.5
60.30184	0.1
65.91093	0.1
67.01886	0.2
69.03449	0.3
71.01398	0.7
73.02940	0.2
80.26189	0.1
83.01397	0.2
83.05016	0.1
85.02951	5.9
87.00877	1.1
89.02430	0.3
93.02143	0.1
93.03458	2.2
94.24574	0.1
95.05052	0.1
96.96003	0.2
97.02966	0.3
99.04535	0.7
101.02457	0.3
106.09238	0.1
109.02959	0.5
110.55586	0.1
111.00871	0.2
111.04531	0.8
113.02417	0.3
123.04553	0.1
127.04018	1.5
133.02931	1.0
135.04482	0.6
135.28226	0.1
136.01620	0.1
137.02451	0.1
139.00378	0.3
149.06094	0.1
151.04010	0.2
153.02000	0.1
157.01411	0.8
161.02449	2.7
171.02989	0.4
173.04535	1.0
179.03496	0.8
191.05629	100.0
192.05980	2.3
193.06030	0.4
312.49503	0.1
319.06729	0.3
353.08783	22.0
354.09012	1.1
355.09363	0.2
363.16702	0.7
373.11349	0.5
539.91937	0.1
707.17633	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72991	0.1
59.01375	0.7
60.99294	0.2
67.01889	0.2
69.72115	0.4
71.01373	0.4
73.02925	0.2
83.04984	0.1
85.02950	4.8
87.00867	1.0
93.03456	2.3
99.04523	0.3
101.65211	0.1
105.50383	0.1
109.02955	0.4
111.04521	0.6
113.02441	0.1
127.03990	1.4
133.02946	0.8
135.04561	0.8
155.03479	0.2
161.02403	1.6
171.03006	0.4
173.04535	0.9
179.03525	0.8
181.23233	0.1
183.19318	0.1
191.05603	100.0
192.05945	2.5
215.05486	0.2
313.65402	0.1
351.07224	0.2
352.07635	0.2
353.08743	17.5
354.09058	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02101	0.4
57.03449	0.7
59.01382	10.1
60.99285	0.5
61.54939	0.4
61.98833	2.4
67.01894	2.3
68.99819	3.6
69.03447	1.8
69.47466	1.6
71.01385	8.5
73.02943	1.3
78.91885	0.4
80.30961	0.4
81.03459	1.6
83.01385	0.9
83.05022	0.6
85.02943	2.3
87.00861	0.6
88.98793	2.2
89.02452	4.8
93.02859	0.7
93.03461	13.1
95.01393	22.1
95.05026	0.4
96.96000	4.1
97.02943	0.6
99.00883	0.6
101.02441	9.7
107.05067	0.5
108.02193	0.5
109.02940	1.0
111.04498	3.0
113.02460	2.4
117.03451	0.6
119.03503	1.8
119.05022	3.7
121.02946	1.1
123.00916	1.0
123.04530	8.1
127.04021	1.0
129.01935	0.7
133.02934	1.6
135.04529	5.4
137.02435	1.2
145.02913	2.5
149.02455	0.7
151.00378	0.7
151.03986	0.6
155.03508	87.2
156.03822	3.2
157.05032	0.5
161.02449	4.0
161.04613	0.9
163.04039	2.3
165.05641	0.5
171.10254	1.2
173.04552	10.7
176.16972	0.4
177.01976	1.2
179.03444	2.9
180.03825	0.6
187.13446	0.5
191.03911	0.4
191.05617	1.9
193.05080	0.7
257.09351	1.1
259.10883	0.6
269.04388	0.7
272.11630	1.1
285.03870	1.0
286.95914	0.5
291.13174	0.7
297.06329	0.8
329.08740	1.5
349.13977	2.9
349.18604	2.1
350.14233	2.7
351.14600	1.8
418.21222	0.4
479.21365	4.7
485.29114	0.7
561.18243	100.0
562.18658	10.9
562.27478	0.6
669.31671	2.0
707.20721	0.9
714.79651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71357	0.4
57.03449	0.6
59.01380	9.8
59.87933	0.4
61.98826	2.3
67.01885	3.2
68.61684	0.3
68.99820	3.3
69.03465	2.3
71.01382	7.6
72.99343	0.5
73.02937	0.7
79.01889	0.5
81.03454	1.1
82.95411	0.6
83.01390	1.0
83.05020	1.0
85.02962	2.1
87.00889	0.8
88.98826	0.4
89.02450	5.1
93.03452	12.4
95.01385	19.4
96.95999	2.2
97.02945	1.2
99.00858	0.5
101.02451	9.6
107.05006	0.5
109.02953	1.3
111.00874	0.8
111.04507	2.8
113.02454	2.5
117.03474	0.6
119.03517	1.2
119.05006	0.6
121.02961	1.1
123.00914	0.5
123.04538	7.4
125.02424	1.1
127.03992	1.2
129.01901	0.5
133.01370	0.5
133.02988	1.2
134.03792	0.5
135.04494	1.5
136.99306	0.4
137.02435	1.3
143.03549	0.4
145.03000	0.8
149.02457	0.8
149.06029	0.5
150.03239	0.6
151.00386	0.8
151.04021	0.5
155.03505	91.9
156.03847	2.7
157.05077	1.3
161.02434	2.8
161.04568	1.0
162.03011	0.5
163.04034	0.7
165.05528	0.5
173.04543	10.4
174.50255	0.4
177.05602	1.1
179.03494	1.3
179.05608	0.4
179.07092	0.5
181.05052	0.9
191.05602	4.0
193.05109	1.0
209.11781	2.7
226.42854	0.4
227.12856	1.4
269.04535	1.6
284.03308	0.7
285.03983	2.5
286.04462	0.7
329.08795	1.3
352.03055	0.5
367.10587	0.5
420.10553	0.4
447.09149	1.2
479.21210	2.6
545.23047	0.6
561.18237	100.0
562.18579	11.5
591.17291	0.7
633.85065	0.5
669.40277	1.5
689.25446	0.4
707.20099	0.9
707.38263	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.6
58.00595	3.0
59.01379	100.0
61.98825	7.2
65.03953	2.5
68.99814	19.2
69.03449	14.3
69.08473	5.4
69.08893	7.7
71.01379	73.6
72.99291	3.2
73.02940	5.9
83.01394	6.2
85.02950	20.5
87.00875	3.5
89.01926	3.7
89.02444	66.3
91.01895	4.4
93.03458	17.4
95.01389	3.2
96.96013	2.5
98.21854	3.9
101.02440	55.5
107.05029	10.5
113.02447	35.3
117.03446	2.1
119.03503	27.7
119.04980	2.0
121.02944	16.7
121.06581	4.5
125.02424	3.1
131.03516	4.0
133.02924	6.6
133.06595	74.3
135.04555	14.3
139.20184	2.4
143.03523	3.0
147.04541	5.9
149.04636	2.1
149.06090	3.1
151.04022	5.2
153.05623	12.8
153.33148	2.2
159.02942	2.0
161.02415	8.0
161.04547	19.9
163.07697	2.8
171.04512	4.4
171.10271	3.1
173.06055	7.6
179.03529	16.6
179.05591	14.2
189.05577	3.5
191.05560	9.9
191.07147	4.9
205.08740	4.9
231.06404	2.8
249.07616	5.0
269.04562	13.6
284.03152	3.5
285.04059	12.3
286.04495	3.6
309.09668	4.0
309.20660	5.5
326.94449	2.6
341.08762	18.2
377.27173	2.7
393.12088	2.5
397.13373	3.1
411.12936	7.7
421.48938	2.8
429.13986	16.9
443.17087	6.5
473.32767	7.8
475.16113	70.9
476.16406	2.6
477.48627	2.3
485.32224	10.1
513.17065	3.0
545.20477	13.5
593.12274	2.6
647.36133	10.1
669.31213	15.4
671.32056	5.5
707.38080	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	707.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	23.9
60.78868	2.9
61.98830	16.4
69.11544	16.7
69.11938	6.5
71.01385	15.0
73.02973	5.6
77.28723	2.8
79.94446	2.7
82.95387	5.6
83.01331	2.9
83.05010	6.0
85.02949	5.4
87.00887	5.4
88.98809	3.3
89.02477	6.7
93.03467	3.9
96.96008	4.4
101.02461	13.5
109.06564	15.2
113.02465	5.5
133.03004	5.1
134.03738	3.9
135.04556	6.1
137.02464	4.4
151.00424	5.8
161.02455	5.6
161.04539	7.5
163.11307	8.8
173.04550	3.8
177.02013	3.5
179.03600	4.9
179.05568	4.4
181.12428	3.7
185.11864	3.4
191.05638	12.3
207.10252	63.3
209.11829	100.0
210.12129	3.6
225.11327	27.4
227.12811	28.0
235.08167	3.6
241.09779	3.6
253.09172	17.6
259.09998	3.2
269.04489	22.0
269.13785	5.4
284.03201	14.1
285.03906	20.6
336.96091	2.8
399.21844	8.1
417.23010	3.6
443.19382	5.2
445.20966	5.3
461.20285	17.7
485.32706	6.8
496.19348	3.4
592.12024	7.3
610.12915	5.2
635.30609	39.0
647.35022	14.6
653.31439	34.0
654.32562	3.7
671.22412	5.2
671.32703	46.9
675.64691	3.6
707.29987	57.4
708.30554	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	707.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	2.0
63.02388	1.3
65.00010	0.3
65.00313	1.3
69.36691	0.8
78.95874	0.1
83.01370	1.0
93.59218	0.2
99.75238	0.2
100.04487	0.2
101.96780	0.1
105.03484	0.4
107.01381	2.5
108.02180	0.2
108.44669	0.1
109.02971	0.6
117.23653	0.2
117.46326	0.1
121.02974	0.5
125.02529	0.2
128.41533	0.1
132.02220	0.4
133.02951	5.1
134.03766	1.0
135.04530	0.2
147.00867	0.2
148.01657	0.4
149.02454	1.7
149.99590	0.3
151.00374	5.2
171.04526	0.3
172.05162	0.2
174.03218	0.2
175.04012	2.0
177.01932	0.4
183.04539	0.4
185.06102	0.5
187.03981	0.4
188.04715	0.3
195.04488	0.4
197.06039	0.2
198.03195	0.5
199.03967	2.3
200.04683	0.8
201.01926	0.6
211.03960	1.3
212.04718	0.2
213.05533	0.6
215.03477	0.5
216.04298	0.2
217.05040	1.5
223.04005	0.2
227.03543	1.6
228.04199	0.4
229.05029	0.3
239.03529	0.7
240.04298	0.2
241.04958	0.9
243.02979	0.9
254.06870	0.2
255.02962	1.3
256.03769	4.0
257.04459	0.3
267.03000	0.5
269.04489	0.3
283.02405	1.0
284.03256	59.1
285.04013	100.0
286.04407	4.8
297.04037	0.5
299.05716	0.3
327.05042	1.1
429.08395	0.3
447.08984	0.2
459.12399	0.2
520.04559	0.2
707.30670	68.3
708.31006	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	707.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04002	0.6
56.95886	0.6
58.45916	0.5
59.01405	0.8
61.98836	0.8
63.02404	1.0
65.00342	1.4
65.22184	0.6
67.38116	0.5
72.35909	0.6
78.95925	1.4
83.01403	0.7
107.01409	1.8
117.03488	2.8
149.02432	1.6
151.00374	3.1
159.04494	0.7
171.04483	0.7
182.77951	0.7
183.04488	1.1
197.06242	0.9
199.36143	0.6
200.04875	1.1
211.04027	1.0
225.05623	1.6
231.10049	0.7
239.03552	2.9
240.04300	3.7
253.82399	0.8
267.02988	1.3
268.03760	97.6
269.04523	100.0
270.04916	5.0
281.04492	1.0
297.04025	2.8
311.05594	2.2
413.08496	1.4
485.11035	1.8
503.20215	0.7
527.16382	0.8
609.23273	6.8
610.23438	1.3
707.30695	89.0
708.30957	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	707.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
57.03439	0.7
58.28633	0.5
59.01380	12.5
66.05373	0.4
67.64790	0.5
69.03445	1.2
69.40348	2.5
71.01382	11.1
73.02949	2.9
80.55076	0.5
81.91483	0.5
82.45327	0.5
83.01386	1.8
85.02945	3.3
87.00883	0.9
89.02431	3.2
93.03452	1.6
95.01372	0.8
96.96026	2.8
99.00875	1.3
101.02452	7.7
105.88285	0.5
111.00857	0.9
113.02441	1.9
119.03512	1.2
125.02443	0.7
133.02927	2.0
135.04495	2.4
137.02486	0.5
141.12842	2.3
149.06143	0.8
150.31935	0.5
151.00346	0.7
151.04041	0.5
155.03496	2.4
161.02460	3.2
161.04506	0.5
169.12277	0.7
173.04575	1.5
177.02000	0.6
177.99767	0.5
179.03503	0.8
181.05125	0.5
185.06090	2.1
187.13383	25.8
188.13797	0.8
191.05591	3.4
209.11807	4.1
223.10107	0.7
227.12906	1.5
249.09827	2.9
250.10048	3.2
251.09619	5.9
259.02756	0.5
269.04547	2.8
269.75061	0.6
285.04108	2.5
286.04449	0.5
313.53400	0.6
331.17532	1.7
347.17236	0.7
349.18665	100.0
350.19073	6.4
413.22040	0.9
439.89810	0.6
478.23737	1.4
479.22006	6.7
479.31070	0.7
613.28754	1.1
707.31647	9.6
708.30920	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.2
56.39407	0.4
57.03439	1.8
59.01380	20.0
61.90748	0.4
61.98823	1.3
65.92508	0.4
71.01380	21.4
72.94447	0.4
72.99313	0.7
73.02947	10.3
75.00859	0.9
83.01386	5.2
85.02950	13.8
86.00093	1.4
87.00861	1.4
89.02442	5.4
95.01400	2.4
96.96016	3.8
97.02964	0.9
99.00891	3.1
101.02444	23.0
111.00811	1.0
113.02449	11.6
119.03505	1.8
125.02502	1.0
129.01923	0.6
133.02939	1.2
135.04497	1.5
141.01939	0.5
141.36931	0.4
143.03462	0.5
149.04567	0.5
159.02972	2.0
161.02505	3.1
161.04553	4.8
163.04077	0.4
179.03535	1.1
191.05568	1.0
224.74832	0.4
271.09668	0.5
341.08630	0.5
397.31122	0.6
409.31085	0.5
411.32693	0.8
427.32193	3.3
428.32330	0.9
439.32300	3.8
459.34741	5.8
460.35464	0.6
503.33774	2.8
547.21790	0.8
621.40033	16.6
622.40741	2.9
645.27698	0.9
665.39056	100.0
666.39355	20.1
695.71869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.2
61.98828	1.8
63.07294	0.7
67.01868	1.1
69.03452	1.1
69.25791	1.6
69.26201	2.4
71.01379	2.5
71.45994	0.7
73.02937	0.9
73.13451	0.7
77.03386	0.7
78.46261	0.7
78.54845	0.7
84.00914	1.7
85.02953	1.3
89.02438	2.4
93.03426	1.6
95.05025	1.9
101.02439	3.0
101.67500	0.8
108.02144	1.3
111.00901	1.4
113.02460	1.5
114.02000	1.2
119.03482	1.3
121.02956	1.0
123.00880	2.2
124.01648	2.0
126.02039	0.8
127.04005	1.5
133.02957	1.3
135.04530	2.9
136.01649	1.3
139.00420	0.9
150.45076	0.8
151.04077	0.8
152.10411	0.9
161.02460	3.4
161.04596	1.4
165.05606	1.3
173.04553	1.1
179.03450	1.8
191.05620	8.4
204.05115	2.2
221.04536	1.3
241.07428	0.9
272.06827	1.5
287.09335	10.0
299.09641	1.0
368.76184	0.9
483.16565	1.3
487.30615	6.0
493.41818	0.9
503.33810	100.0
504.34134	14.1
514.54871	0.8
529.77435	0.7
545.34650	0.9
665.39252	2.0
691.26062	1.5
708.28448	1.1
708.39215	5.1
709.20020	2.3
709.39984	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	709.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.3
59.01377	0.3
61.98832	1.7
63.02393	0.9
65.00321	16.6
66.00649	0.3
70.94246	0.2
78.95921	0.3
79.01905	0.3
81.03449	0.4
83.01385	6.0
88.19740	0.2
93.03468	0.7
96.55195	0.2
97.02944	0.3
99.51418	0.2
103.01931	0.3
107.01389	22.5
107.05042	0.6
108.01658	0.4
108.99302	0.4
109.02959	2.4
121.02956	0.5
123.00887	0.2
125.02457	4.7
126.45951	0.2
131.01408	1.5
133.02953	0.5
134.03746	1.5
135.04523	60.6
136.04846	2.1
137.02441	0.7
137.19641	0.2
149.02437	0.6
151.00368	100.0
152.00708	2.9
161.02455	1.3
165.01915	1.2
169.01401	1.5
175.00349	5.9
176.00739	0.2
177.01872	0.8
183.04483	0.2
193.01418	1.5
205.01382	0.2
209.11681	0.3
217.01448	0.3
217.32487	0.2
223.56407	0.2
225.05573	0.3
249.22130	0.2
269.04535	0.7
269.13971	0.9
285.03967	0.5
287.05594	100.0
288.05939	6.8
288.09140	0.4
311.05658	0.5
329.06744	0.3
356.84988	0.2
410.90463	0.2
490.87064	0.2
573.27063	0.5
632.06366	0.2
636.19501	0.2
709.32043	2.4
709.43256	0.3
710.32233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27422	0.6
59.01368	0.5
60.60064	0.5
61.98830	3.5
63.02411	1.7
65.00338	2.0
69.14643	3.5
78.95927	0.7
83.01405	0.6
93.10641	0.7
94.93931	0.6
107.01391	3.8
107.93890	0.6
116.92915	0.7
129.72371	0.6
133.02957	4.6
134.03760	0.9
135.04504	1.9
149.02493	0.9
151.00356	7.4
152.99611	1.0
169.48555	0.6
171.04591	0.7
175.04015	1.8
177.01910	1.1
199.04037	1.8
201.01909	1.0
211.03984	0.8
212.04723	0.8
213.05566	0.9
217.05084	1.3
227.03487	1.4
239.03487	1.0
241.05135	0.8
255.03001	1.5
256.03830	4.0
283.02435	1.0
284.03275	56.8
285.04031	100.0
286.04379	6.9
287.05585	2.6
327.05154	0.9
467.36533	0.6
709.32220	69.3
710.32416	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	709.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	34.4
59.64594	0.3
61.98817	1.4
65.12943	0.3
69.03481	0.4
71.01379	1.5
76.84843	0.3
77.49759	0.3
85.02947	0.6
86.36398	0.3
89.02451	1.0
93.03475	0.4
98.21877	0.9
101.02463	1.9
113.02435	1.0
119.03498	0.5
135.04526	0.4
146.92973	0.3
158.37012	0.3
161.02420	0.7
161.04596	0.5
173.04533	0.5
191.05563	1.1
200.24548	0.4
226.74937	0.3
238.65718	0.3
265.05203	0.7
283.06345	1.0
285.04144	0.7
371.15213	0.4
381.09628	0.4
381.13727	2.1
487.34293	100.0
488.34686	12.0
488.41885	0.5
501.35638	0.5
519.68848	0.3
529.35272	0.9
562.79547	0.4
612.83026	0.3
649.39087	1.9
650.39148	0.4
671.32117	0.4
709.41290	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	711.214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16883	0.2
57.03436	0.3
59.01373	1.4
60.99293	1.1
67.01888	2.9
69.03447	1.0
71.01373	1.2
73.02947	0.3
81.03453	0.4
83.05014	0.7
85.02944	4.5
87.00874	4.8
89.02452	0.2
93.03456	19.9
94.03780	0.4
97.02946	0.3
99.00876	0.4
99.04500	0.4
101.02325	0.3
109.02910	0.5
111.00867	0.9
111.04494	3.2
113.02491	0.3
117.03475	0.3
119.05019	5.8
122.20123	0.2
125.02416	0.3
127.04016	1.2
129.01920	0.6
137.02393	0.3
143.03424	0.3
145.02936	1.1
155.03465	0.5
163.03999	6.1
163.05379	0.4
171.03006	0.5
173.00874	0.4
173.04544	7.3
191.05606	100.0
192.05942	2.5
193.05159	0.3
287.75076	0.2
296.03336	0.2
324.31720	0.3
337.09271	32.0
338.09506	1.5
373.11420	0.7
439.42282	0.3
473.86221	0.2
638.21729	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
59.01379	1.6
60.99288	1.0
62.13193	0.2
65.24920	0.2
67.01885	2.4
69.03455	1.7
69.40982	0.3
70.10003	0.2
71.01380	1.7
73.80077	0.2
81.03445	0.5
83.05004	0.4
85.02947	4.7
87.00871	5.0
89.02428	0.5
93.03458	19.6
94.03785	0.4
95.47869	0.2
97.02929	0.8
98.75410	0.2
99.00871	0.9
99.04472	0.6
101.02458	0.3
109.02955	0.5
111.00875	1.7
111.03912	0.3
111.04534	3.0
113.02431	0.6
115.00380	0.3
115.04053	0.3
117.03467	0.3
119.05014	5.8
127.04008	1.3
129.01923	0.6
135.04518	0.5
145.02925	1.0
149.06042	0.4
155.03532	0.5
161.02429	0.6
163.04001	6.2
173.00909	1.1
173.04539	7.4
175.02545	0.4
177.01932	0.6
191.05605	100.0
192.05957	2.8
193.05049	0.4
208.33179	0.3
233.04520	0.2
277.03568	0.6
279.21967	0.2
302.97052	0.3
337.09274	33.2
338.09662	2.0
349.30676	0.3
373.11526	1.3
387.67508	0.2
392.14682	0.2
429.55731	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.5
60.32879	0.4
61.33578	0.4
61.98837	2.8
69.03492	0.4
69.14258	2.1
71.01373	3.2
79.83480	0.6
85.02962	1.6
89.02447	1.3
89.04033	0.5
93.03497	1.0
96.96013	1.0
98.21870	1.0
99.92584	5.3
101.02451	1.3
105.03458	0.6
107.05044	0.7
109.02965	1.8
113.02480	1.0
116.92864	46.1
117.03475	1.8
117.47881	0.5
117.92886	2.1
121.02970	1.2
123.04518	0.7
132.02144	2.7
133.02966	40.5
134.03812	4.4
135.04530	31.3
136.01695	5.1
136.04840	0.8
137.02467	2.1
139.04028	0.5
145.02963	1.1
146.19395	0.5
147.04546	1.2
149.02289	0.5
149.06097	1.9
151.00366	2.8
151.04010	5.6
159.04538	0.7
160.01662	1.5
161.02454	100.0
162.02821	2.4
163.04018	0.8
166.02737	6.6
173.04672	0.7
173.06128	0.6
174.38225	0.5
175.04041	4.0
176.04744	1.5
177.01912	1.4
177.05586	4.6
178.02701	0.8
179.03505	18.1
180.03862	0.7
181.05103	5.0
185.32306	0.5
187.04045	0.6
189.05493	0.5
191.03709	0.5
191.05614	1.7
191.07156	1.1
193.04958	2.4
195.06500	0.5
203.03548	1.5
205.05150	0.8
217.05049	0.6
221.04524	3.8
221.08069	0.6
263.05652	0.8
280.05878	0.7
282.05698	0.6
285.04025	3.2
286.04477	0.6
290.01208	0.4
309.07724	0.7
323.07730	24.6
324.08069	0.8
330.88000	0.5
337.09320	1.0
342.11270	0.9
343.11752	1.7
357.09671	1.0
357.13541	1.6
372.11896	0.8
373.12924	4.3
425.09311	0.5
487.30533	0.8
488.30820	0.9
489.32190	2.7
549.23462	0.6
593.12952	3.0
648.54858	0.5
649.20874	0.7
675.04321	1.0
681.21680	1.0
711.22882	61.6
712.23157	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.7
61.98830	3.7
63.32842	0.4
68.99847	0.4
71.01377	2.3
73.02953	1.3
75.00880	0.8
83.01379	0.9
85.02945	1.0
87.00864	0.5
88.24364	0.3
89.02460	1.1
89.03988	0.5
93.03457	0.8
95.08257	0.4
96.96001	0.9
101.02433	2.1
105.03458	0.9
107.05025	0.6
108.02158	1.2
109.02975	1.1
113.02464	0.8
115.01929	0.4
116.92859	0.8
117.03465	1.5
119.05035	0.4
121.02886	0.9
122.03796	0.6
123.04543	1.1
123.85470	0.4
130.16962	0.4
132.02173	3.4
133.02959	43.0
134.03760	6.4
135.04524	26.4
135.05592	0.6
136.01659	15.0
137.02448	2.7
147.04494	0.8
148.05290	0.6
149.06082	2.2
151.00395	0.5
151.04005	10.4
155.03549	0.5
158.03778	0.7
159.03291	0.4
159.04482	1.8
160.01640	4.4
160.05269	3.9
161.02440	100.0
161.06036	1.6
162.02779	3.0
163.03894	0.4
173.06032	0.5
175.03999	7.4
175.07603	2.3
177.01991	1.0
177.05559	2.5
178.02684	1.2
178.06378	1.0
179.03484	13.3
191.05592	1.0
193.05060	6.4
203.03511	1.1
204.04303	0.6
205.05048	1.2
217.05063	2.3
218.05754	1.1
219.06631	3.5
221.04558	2.5
233.08168	0.9
235.06104	1.1
236.06641	0.4
280.05994	0.5
284.10751	0.5
285.03979	1.1
299.12897	0.7
323.07690	18.1
324.08014	0.8
329.13818	2.4
337.09286	7.1
341.10248	0.6
355.11728	2.4
373.12900	3.5
377.22870	0.4
377.39575	0.4
387.14413	5.4
487.34106	1.3
488.34610	4.9
489.34534	0.8
516.66882	0.5
517.17072	1.1
535.18060	1.3
549.19592	2.2
635.21973	0.6
651.37384	0.5
657.42468	0.6
667.23322	2.1
679.20325	8.8
680.20764	1.2
711.22858	41.7
712.23041	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	711.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.3
69.62717	0.7
71.01376	2.2
73.02941	0.6
85.02953	1.6
86.48424	0.3
87.00890	0.4
89.02435	0.8
93.03454	0.6
95.01419	0.5
101.02428	1.4
103.03394	0.3
108.02156	0.4
109.02949	0.8
111.00871	2.3
113.02452	1.0
121.02955	2.0
122.03760	1.4
123.00901	0.6
123.04471	0.4
125.02408	0.4
133.03000	0.3
134.03754	1.4
135.04517	0.6
136.01660	20.9
137.02487	3.4
149.06137	0.5
151.00389	5.2
151.04008	38.9
152.04474	1.1
155.03436	0.3
157.51756	0.3
159.02969	0.3
160.05312	0.6
161.02443	0.7
161.04544	1.7
162.03275	0.5
165.01900	0.3
166.02715	22.5
167.03271	1.0
173.00894	0.4
173.04530	0.3
175.03993	0.6
175.07632	0.5
177.01981	0.9
177.05568	0.6
179.03607	0.4
179.05638	0.3
181.05067	34.1
182.05397	1.2
189.05621	0.7
191.03796	0.4
191.05580	4.6
192.04230	0.4
193.05025	1.9
205.05074	0.6
205.08733	0.6
207.06546	0.4
241.31367	0.3
271.06079	0.3
311.09164	0.4
324.80203	0.3
329.10242	0.9
341.14072	0.5
353.08789	0.6
357.09769	6.3
358.10077	0.5
372.12103	7.1
373.12366	0.5
387.14487	100.0
388.14835	9.2
549.20099	1.7
711.21442	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11719	0.8
59.01377	5.6
69.79610	1.6
69.79970	1.6
71.01374	3.1
75.87754	0.7
85.02940	1.8
89.02432	2.1
93.03458	4.7
95.34261	0.8
98.22556	1.1
99.00864	0.9
101.02432	3.0
108.02148	2.2
113.02437	1.5
119.03520	0.9
121.02938	4.6
122.03748	10.5
123.04527	1.7
126.30628	0.8
133.02927	2.4
134.03734	11.3
135.04536	4.3
136.01665	49.9
137.02484	1.2
147.04536	1.2
149.02449	17.3
149.06073	5.2
150.01999	1.9
150.03224	54.1
151.04010	65.8
152.04675	2.0
153.05588	1.0
155.03479	1.3
156.56516	0.9
161.02443	2.3
161.04541	0.8
162.03232	1.5
164.04823	5.0
165.05569	54.2
166.05893	2.3
167.07066	1.0
170.66553	0.8
173.04526	2.6
175.03960	1.6
177.05624	1.6
179.03497	1.2
179.75050	0.9
180.04251	3.1
185.06004	1.9
191.05609	16.7
195.06631	37.1
196.05324	1.0
197.06073	0.9
213.05576	11.3
223.04076	1.9
224.04767	2.4
226.12779	0.7
240.04245	2.3
241.05048	59.1
242.05479	3.0
243.42209	0.9
245.13878	0.8
247.55940	0.8
252.04292	1.2
253.04836	0.9
255.06650	1.4
256.07407	48.1
257.07901	3.9
267.06772	1.3
270.08960	1.4
271.09747	100.0
272.10095	6.2
284.06793	1.0
285.04004	1.7
285.07898	1.0
299.09222	6.2
313.10666	2.0
315.12439	1.9
319.11850	29.1
320.12213	2.0
321.15851	1.3
329.10242	1.9
337.09338	1.7
343.11865	16.9
353.08728	1.6
373.12933	5.6
391.13904	3.3
419.15036	2.4
467.17102	10.2
495.16492	1.1
515.19153	9.4
569.19867	1.2
663.24420	7.6
664.24493	1.1
693.25031	2.2
711.27112	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.1
68.99811	0.5
69.11422	1.6
69.11826	1.3
70.56888	0.5
71.01384	5.4
73.02953	1.1
77.03880	0.5
81.03481	0.5
83.01408	0.5
83.05017	0.8
85.02940	2.4
87.00865	0.6
89.02441	3.5
93.03436	1.1
94.03023	0.5
95.01376	0.5
96.96014	0.9
99.04597	0.5
101.02433	2.4
105.03453	0.7
107.55270	0.5
113.02477	0.9
113.51057	0.5
117.03481	1.9
119.03528	0.9
121.02973	0.9
123.04526	0.5
125.09711	0.9
127.11329	0.7
132.02170	2.1
133.02957	36.8
134.03656	1.9
135.04527	13.2
149.04604	0.5
150.03227	0.9
151.03967	0.5
161.02443	100.0
162.02803	3.2
163.03979	0.6
163.11314	0.6
165.05573	0.9
165.09113	0.6
174.13620	0.4
177.01897	0.8
177.05550	0.9
179.03500	8.7
191.05603	7.2
195.06564	0.8
201.11320	12.4
209.04686	0.7
209.11818	17.1
221.04541	1.0
221.07678	0.5
221.90543	0.5
227.12892	7.8
230.43782	0.4
245.13954	9.7
270.64221	0.5
273.46881	0.5
285.04077	0.8
353.08780	2.0
354.09097	0.6
465.23795	2.2
519.15558	0.6
549.23706	0.8
693.27307	0.6
711.28705	61.2
712.29022	7.0
738.83618	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.1
68.99806	0.7
71.01366	3.6
71.44797	1.0
73.02957	0.8
83.01398	0.6
85.02967	2.1
85.85252	0.6
89.02463	3.2
93.03465	1.1
96.96027	0.9
101.02449	3.7
111.00922	0.7
113.02448	1.4
116.92854	1.3
117.03435	0.7
119.03483	0.8
121.02969	0.9
122.03692	1.0
129.28725	0.5
132.02156	1.8
133.02954	32.2
133.79880	0.6
134.03691	2.1
135.04535	13.5
136.01688	3.3
136.42139	0.7
149.02486	0.9
150.03235	4.1
151.04012	5.6
155.03481	1.5
161.02444	100.0
162.02791	3.4
165.05582	4.2
173.04575	0.7
177.05579	1.3
179.03491	8.0
184.46761	0.7
191.05621	6.8
195.06624	2.4
201.11214	0.9
221.04546	1.4
241.05136	0.8
256.07300	1.7
271.09720	1.9
281.06619	2.0
292.86765	0.6
341.08615	2.0
380.71704	0.7
387.14462	1.6
415.06183	0.7
489.32300	6.6
519.14783	0.8
549.23480	6.6
550.23828	0.8
633.09717	0.7
652.17841	0.7
711.28693	61.2
712.28760	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	711.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.0
59.01380	24.1
69.03455	36.0
69.42989	2.7
71.01382	10.1
73.02946	0.8
81.03467	0.9
85.02955	3.1
87.00862	2.0
89.02446	12.4
93.03442	2.4
95.05025	16.3
95.08630	1.3
96.05379	0.6
98.31384	0.8
99.04520	5.5
101.02453	6.7
107.05026	6.6
109.06552	1.3
111.04543	0.7
111.08026	0.7
113.02456	17.1
119.03509	4.2
125.06064	3.0
126.37522	0.5
127.04026	0.6
131.07132	3.2
133.03024	0.9
133.06613	1.3
148.62801	0.5
151.07643	5.2
169.08708	15.4
170.09013	1.0
173.04442	1.0
179.05644	0.9
184.15544	0.7
191.05617	8.8
195.06654	0.8
213.07683	31.7
214.08099	1.0
244.02950	1.2
279.15320	0.7
293.12393	8.8
294.12723	0.8
299.06110	0.6
305.47830	0.7
335.13446	0.9
349.14975	2.6
361.15375	0.7
375.12936	100.0
376.13263	7.4
417.13818	1.2
537.16266	0.8
641.11841	0.6
711.21564	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	711.3444
Annotation	Cyclomontanin D
Peak:m/z	Relative Intensity
55.01863	1.5
57.03442	1.3
58.00583	1.2
59.01382	52.0
69.03439	1.0
69.19778	2.0
71.01384	34.2
72.99306	0.9
73.02948	10.3
75.00863	1.2
81.03436	0.7
82.22622	0.4
83.01389	3.1
85.02955	10.5
87.00867	1.6
88.92921	0.4
89.02446	28.1
95.01373	2.6
97.02948	2.0
99.00880	8.8
99.04526	0.4
99.50939	0.5
101.02447	20.2
111.00890	0.5
113.02457	10.6
113.03231	0.6
115.04056	0.6
118.85033	0.4
119.03509	4.9
122.89474	0.5
125.02470	2.8
129.01967	0.8
131.03496	1.9
133.02946	0.9
135.04578	0.5
143.03502	1.1
149.04549	2.2
159.02971	0.7
160.69670	0.4
161.02454	2.0
161.04565	2.9
176.03140	0.5
176.84593	0.6
179.05637	1.0
179.92020	0.4
181.43806	0.4
191.05684	2.1
235.14040	0.5
264.36710	0.4
277.00702	0.5
293.08823	1.0
344.66949	0.4
417.24829	1.1
456.93784	0.5
504.70425	0.6
531.27698	1.8
549.22595	0.5
549.29474	3.8
579.30176	4.5
611.65240	0.6
658.66675	0.5
711.34473	100.0
712.34833	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	713.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69984	0.3
59.01369	0.4
62.97625	0.3
71.01380	14.7
84.63396	0.3
86.02636	0.3
89.02439	0.4
89.03979	1.5
98.21859	0.8
115.00380	5.5
117.03468	5.0
121.02964	0.3
134.03741	55.0
135.04118	1.4
137.02434	0.6
149.06073	6.4
149.95473	0.3
161.02399	0.3
161.36911	0.4
178.02698	4.6
179.03423	0.8
188.56110	0.3
191.05557	0.7
193.05054	100.0
194.05399	3.3
217.35411	0.3
221.06900	0.3
232.06079	0.4
309.06149	3.2
399.77164	0.4
600.04803	0.4
713.22693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03715	0.2
57.03427	0.3
59.01371	1.7
60.99300	0.3
62.80503	0.2
67.01883	0.9
69.03436	0.5
69.52500	0.6
71.01376	0.8
81.03426	0.3
83.05016	0.3
85.02946	6.3
87.00857	1.3
89.02411	0.3
93.03454	3.6
95.05019	0.3
96.96092	0.3
98.22583	0.3
99.04562	0.4
105.03468	0.4
107.05035	0.4
109.02929	1.1
111.04510	1.0
119.05023	0.3
123.04555	0.3
127.04007	1.7
129.01826	0.2
133.02957	3.1
134.03319	0.3
135.04503	1.9
137.02472	0.3
149.87077	0.3
155.03514	0.3
159.14369	0.2
161.02425	2.0
163.04004	0.7
171.02950	0.3
173.04570	2.1
177.01949	0.9
179.03473	1.4
191.05600	100.0
192.05945	2.5
193.06068	0.4
215.05566	1.6
255.32008	0.2
337.09500	0.3
351.07172	3.2
352.07489	0.4
353.08740	11.9
354.08936	0.5
373.11230	0.3
375.06949	1.2
405.96027	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.5
61.98833	9.5
69.03442	0.9
69.80153	2.1
69.80505	0.8
71.01385	5.3
73.02958	1.7
75.73135	0.8
85.02945	1.8
87.00879	1.1
89.02454	2.4
92.02661	0.9
93.03455	10.1
95.01382	0.8
96.96020	3.7
98.22572	1.0
101.02471	4.1
105.03469	1.4
107.05031	1.5
109.02977	1.0
111.00914	0.8
113.02497	1.2
117.03481	1.2
119.03513	1.0
121.02956	11.0
123.04546	1.5
125.02452	3.0
132.02180	1.7
133.02962	45.3
134.03787	5.9
135.04532	23.3
137.02467	8.9
139.04028	1.7
145.02890	0.9
147.04530	0.9
148.05280	1.3
149.06067	2.8
150.03230	0.9
151.00331	1.0
159.04477	1.2
160.01689	1.5
161.02452	100.0
162.02858	2.8
173.04579	1.5
175.04004	2.9
177.01952	3.7
177.05547	5.8
178.02747	4.8
179.03500	27.3
179.05133	1.3
191.05595	2.1
197.06108	2.3
203.03508	2.7
211.13460	1.0
220.03819	1.5
220.60388	0.8
221.04543	10.1
225.11304	0.7
227.07126	4.4
240.04320	1.2
250.04774	1.9
251.05583	5.7
269.04462	4.8
280.05890	3.9
281.06680	12.4
285.04053	5.0
293.06564	0.8
309.15164	1.1
323.07712	4.7
325.14713	0.9
327.16132	1.0
329.13861	0.9
341.08780	4.9
345.17056	2.0
371.14957	2.6
382.09140	1.6
383.09833	40.0
384.10107	2.1
389.15973	0.9
407.10037	1.1
413.10791	0.8
425.10907	11.0
461.18350	2.6
485.13010	48.2
486.13336	2.6
491.19379	4.6
502.13440	1.3
533.20837	1.1
551.21497	9.4
605.15234	5.9
623.23370	1.5
713.20038	8.8
714.21722	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	713.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32154	1.4
54.67450	1.2
57.96673	1.3
59.01380	23.6
61.98826	5.8
62.98920	1.1
68.99813	1.9
71.01378	9.9
72.99280	1.4
73.02965	3.3
81.03450	2.2
83.01414	1.6
85.02957	2.9
87.00886	1.7
88.27934	1.3
88.98792	1.9
89.02457	5.5
93.03458	4.2
95.01404	3.1
96.96010	4.7
97.02972	2.3
98.95615	2.2
99.00900	2.2
99.92616	2.1
100.93350	2.0
101.02435	9.4
105.03484	1.3
107.01373	1.6
107.05005	2.0
108.02190	4.0
109.02948	3.5
111.00885	4.1
113.02454	3.2
113.84869	1.2
116.92885	4.1
117.03463	3.0
119.03491	1.6
119.05018	3.0
120.69193	1.1
121.02966	3.7
123.04520	4.6
125.02442	1.7
132.02092	1.7
133.02966	23.6
134.03773	5.8
135.04523	27.9
136.01672	10.3
136.04842	1.4
137.02489	2.5
145.02908	2.8
150.03261	2.2
151.00366	1.7
151.03998	10.1
152.01154	4.7
153.01920	1.9
155.03481	2.5
159.04524	3.6
160.05283	5.4
161.02446	56.3
161.06044	1.8
162.02867	3.6
163.04065	3.2
165.05548	2.7
167.03477	9.6
172.05287	24.0
173.04536	3.8
173.06041	3.7
175.04001	4.9
176.04807	1.6
177.01920	1.7
177.05586	5.5
179.03477	19.2
179.90443	1.4
185.06035	6.7
186.06659	1.3
187.04041	4.2
187.07668	1.5
188.04771	2.1
189.05557	1.4
190.06299	1.9
191.05597	6.3
191.07195	3.1
193.05026	2.4
197.06073	3.3
199.04008	4.5
200.04802	3.6
201.05580	5.4
202.06316	2.5
203.06812	1.4
204.04268	1.6
221.04480	2.3
223.83928	1.4
225.58376	1.5
226.06485	1.4
227.03510	21.5
228.04285	11.2
239.07121	1.8
245.04555	1.6
255.13925	2.0
257.15393	3.8
269.04547	2.2
283.13388	100.0
284.13812	5.9
285.04056	4.1
301.14462	35.3
302.14752	3.3
309.14960	14.8
311.12933	7.8
323.07700	9.7
323.12906	1.8
325.14352	4.3
327.12344	30.1
327.16016	8.4
328.12610	2.0
329.13904	8.3
337.09570	1.5
343.15485	2.0
345.13345	22.4
345.17126	13.8
346.17474	1.6
353.13916	9.2
369.13483	4.9
371.14978	74.9
372.15408	5.0
387.14474	26.8
388.14587	1.3
395.14792	1.5
417.15359	3.8
419.14905	2.1
429.15048	1.4
431.16922	4.3
447.16495	10.9
461.18082	14.7
473.31876	1.5
489.17932	1.6
489.32141	4.5
490.32419	12.0
491.12054	1.9
491.19217	37.6
491.32559	7.1
492.19482	3.4
503.17026	1.5
507.18781	13.1
551.21368	96.7
552.21692	9.2
579.20392	2.1
593.22650	1.9
605.22418	1.8
623.23389	24.4
624.24121	2.5
677.14343	4.8
713.21472	35.6
714.22418	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	713.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92582	0.9
57.03431	3.4
59.01376	75.3
60.01677	1.1
60.77697	1.0
61.98539	1.3
61.98827	16.1
65.00307	3.9
67.01861	1.2
69.03460	8.5
71.01378	43.0
71.43505	1.0
72.99275	2.0
73.02949	6.1
75.00871	1.5
75.78754	1.2
81.03450	1.9
83.01390	5.2
85.02946	23.6
87.00871	3.0
89.02437	31.9
93.03465	10.7
95.01393	5.4
95.05045	7.0
96.96051	1.4
97.02966	1.1
99.00853	2.3
101.02438	25.5
104.85871	1.1
107.01366	4.1
111.25233	1.0
112.64626	1.0
113.02445	16.9
114.03399	1.2
119.03493	11.5
119.04935	1.7
121.02947	72.3
121.06561	2.6
122.03262	2.4
123.04517	5.2
125.02449	11.0
129.07077	2.7
130.04225	1.7
131.03505	1.2
131.04950	1.3
133.02919	4.3
135.04474	4.2
137.02422	1.1
139.03954	1.8
143.03464	3.1
145.06557	4.0
147.04503	2.9
147.08183	6.7
149.02501	1.7
151.00348	22.0
151.03986	1.3
159.02910	1.9
161.02397	3.9
161.04578	7.5
161.05769	1.6
161.89934	1.4
163.03922	1.4
163.07590	2.9
165.01932	1.6
167.03467	8.3
172.05307	1.7
173.06021	12.6
179.03461	2.3
179.05522	3.7
180.82765	1.1
181.80608	1.2
187.07632	14.7
189.05566	2.0
191.05605	1.7
191.07135	17.1
193.73688	1.1
201.05482	2.1
202.06335	5.2
207.13889	1.2
209.08014	1.4
215.07054	4.1
217.05045	2.8
230.35603	1.0
231.10197	2.4
257.08209	1.6
269.04495	4.3
284.03091	1.3
285.04004	3.3
315.18127	4.8
339.08661	4.0
371.13461	1.7
383.11343	28.1
383.19904	1.3
388.79001	1.3
397.11218	5.5
437.21735	17.6
438.22125	1.8
463.23599	1.8
481.20767	100.0
482.21088	10.1
489.24887	6.4
507.25613	1.8
533.23956	6.4
551.25031	15.8
552.25348	2.3
618.15607	1.1
630.03314	1.1
675.74017	1.2
713.30115	62.7
714.30420	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	713.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82635	5.3
59.01369	20.6
61.98819	9.1
62.66491	6.1
70.11473	16.7
71.01373	16.9
78.95905	10.3
87.08788	5.8
89.02423	13.3
101.02405	10.3
119.03438	7.3
152.99567	11.2
235.08179	10.1
279.23257	47.0
397.13495	100.0
398.13702	6.8
415.14532	27.7
492.15121	6.6
539.03723	6.5
593.27252	14.1
677.38550	10.5
713.35144	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.2
57.03445	5.8
59.01381	45.9
61.98831	11.0
63.21373	1.0
65.00325	14.1
68.24685	0.9
68.99809	0.8
69.03466	5.9
69.03791	1.2
69.62573	1.0
69.62898	4.4
69.80717	0.9
71.01379	26.9
72.99290	0.9
73.02927	3.8
80.71385	0.9
81.03452	3.4
83.01387	11.9
85.02954	13.8
87.00870	2.0
89.01922	1.5
89.02435	16.1
93.03465	5.2
95.01383	2.2
95.05019	3.9
96.95987	2.2
99.00912	1.4
101.02446	14.1
107.01381	18.6
113.02451	8.7
116.92802	1.0
119.03491	6.0
119.42731	0.8
121.02960	48.0
122.03234	1.1
123.04521	18.3
125.02451	38.2
129.07100	2.0
131.03448	0.9
133.02950	3.8
134.03728	1.4
135.04495	4.0
137.02472	0.9
143.03520	1.3
145.06602	2.2
147.04501	2.4
147.08136	3.7
151.00372	84.0
151.03989	3.1
151.07700	1.2
152.00676	3.2
158.03723	1.9
159.04532	2.1
161.02472	6.2
161.04584	4.6
161.05917	1.6
163.07616	1.2
165.01889	2.0
167.03511	28.0
169.01337	1.3
172.05217	5.8
173.06027	8.6
179.03534	1.3
179.05615	2.4
187.04016	2.8
187.07629	55.1
188.07941	3.6
189.05565	1.2
191.07153	9.3
195.03125	1.1
200.04767	1.9
201.05574	7.3
202.06360	20.3
203.06851	1.3
209.08125	1.6
213.09222	2.0
215.07138	12.9
216.07791	1.1
217.04962	0.9
231.10246	15.4
245.89120	0.9
257.08264	4.5
269.00708	0.9
269.04492	3.5
285.03998	2.1
309.04639	1.1
310.04608	1.4
311.05991	1.0
315.18149	2.5
329.23215	2.6
338.09222	0.9
339.08667	15.1
339.12503	0.9
340.08969	1.2
365.10388	4.4
383.11340	100.0
384.11612	7.1
397.11285	1.6
437.21646	10.7
444.62717	1.0
454.90942	1.0
472.56403	1.0
481.20786	55.6
482.21188	6.5
489.24951	2.7
491.33917	2.2
507.26398	1.0
521.23865	1.0
533.23846	3.4
551.25018	9.7
552.25482	1.7
713.29999	31.2
714.30890	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	713.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	33.0
61.98835	8.5
62.13570	0.9
69.03455	1.1
69.29462	3.2
71.01383	22.3
72.99287	1.0
73.02952	4.0
78.95895	1.5
83.01395	3.1
85.02977	4.9
85.03418	1.2
87.00880	4.7
89.02451	22.8
95.01411	2.6
96.95996	7.3
97.02968	4.6
101.02450	19.7
104.12403	1.0
113.02447	9.5
119.03510	7.7
125.02439	9.1
131.03479	1.0
143.03508	2.7
157.54193	1.0
161.04564	4.0
179.05614	4.2
217.53049	0.9
221.06741	1.4
235.08195	8.7
253.09305	1.7
255.23294	63.3
256.23550	4.4
263.07782	1.6
265.14841	10.6
287.07703	3.1
305.08749	4.6
323.09875	1.3
371.22659	0.9
397.13492	100.0
398.13962	4.0
415.14542	27.6
416.14935	1.7
653.37244	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	713.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	37.4
61.98830	10.7
69.03458	1.7
71.01376	25.0
73.02956	3.8
78.95916	2.3
81.03473	1.3
83.01398	3.4
84.77057	1.3
85.02963	5.7
87.00897	4.0
89.01904	3.0
89.02431	23.1
95.01394	1.5
95.96270	1.6
96.96024	2.9
97.02946	5.1
101.02434	18.3
105.76228	1.5
107.12331	1.3
113.02460	10.3
117.15570	1.3
119.03558	7.3
119.04307	1.3
125.02438	6.4
143.03506	2.0
152.99490	2.2
161.04590	3.8
179.05597	5.1
216.17245	1.5
217.07188	1.6
235.08244	10.8
252.62169	1.3
253.09264	1.9
255.23300	72.2
256.23596	3.4
279.23199	1.4
287.07755	3.4
305.08804	4.5
389.78217	1.5
397.13510	100.0
398.13715	4.5
399.17859	1.6
415.14539	27.7
513.06372	1.5
653.37439	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51495	0.4
54.93426	0.4
59.01379	0.7
61.98815	0.5
71.01396	0.5
82.70863	0.4
98.21883	1.1
98.70111	0.4
101.02543	0.4
102.34865	0.4
118.14205	0.4
125.02429	0.4
133.03021	0.5
135.04451	0.7
139.09839	0.4
161.02440	1.0
239.59656	0.4
323.07800	0.6
677.49829	2.5
713.47375	100.0
714.47693	15.9
714.60339	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47601	1.5
52.22724	1.6
57.86385	1.5
59.01324	1.5
61.98835	12.8
70.47607	1.9
70.47942	1.9
72.72790	1.9
78.95930	1.8
91.49290	1.5
100.41479	1.6
124.15233	1.6
152.99593	2.0
193.47827	1.7
298.23273	2.0
355.11847	2.0
495.83563	1.7
515.01282	1.7
539.15155	2.9
553.17841	2.8
597.20807	2.6
671.23615	6.2
714.24133	100.0
715.24780	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	22.4
67.38934	1.8
68.01506	1.7
75.94025	1.9
92.93478	1.7
93.67921	1.8
98.22592	4.7
139.12808	1.7
152.22868	1.7
154.72041	1.8
179.75342	1.6
185.17145	2.1
553.17267	4.5
585.20270	4.1
618.16162	2.0
671.23468	6.9
714.24200	100.0
715.24207	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35957	1.7
54.11921	1.5
59.01384	15.1
68.48332	1.6
68.99802	7.3
69.03442	2.0
69.37986	5.3
71.01375	4.9
79.39358	1.4
85.02951	1.8
86.29552	1.4
89.02451	7.7
93.03436	2.0
96.95971	1.6
98.22555	3.0
100.56560	1.5
101.02427	3.4
107.05032	4.2
113.02449	3.2
115.05615	1.6
119.03483	3.1
121.02946	2.6
122.03767	2.5
123.04467	1.9
125.02489	1.9
128.32477	1.7
130.04242	3.4
135.04532	16.9
136.05270	4.8
137.02420	1.8
137.06119	8.2
143.05000	5.2
145.06587	11.9
147.04471	4.6
149.02437	3.6
150.03235	10.9
151.03987	3.0
153.01837	3.1
158.03703	9.9
159.04553	2.3
161.02419	4.4
161.06059	3.6
163.04028	4.2
165.05568	5.2
171.04478	3.5
173.02483	2.5
173.06096	12.3
174.03221	7.0
177.01924	3.7
178.02730	5.4
179.03494	4.3
183.04584	2.8
183.08141	2.0
186.03270	7.7
187.04036	22.3
188.04466	1.6
189.01956	4.2
189.05618	9.9
191.03546	2.6
191.05556	3.8
193.01378	4.3
199.03954	9.1
201.01854	4.2
201.05565	11.3
202.02647	5.2
207.03001	5.6
208.03670	10.5
209.04532	6.4
210.06969	1.9
211.07584	2.3
213.01848	2.8
213.09227	2.9
214.02727	13.7
215.03549	9.1
215.10698	1.9
217.05042	19.8
219.02994	3.1
223.07631	3.4
225.09219	4.5
227.03453	4.7
230.02243	3.4
231.02936	7.3
240.02672	3.4
241.05017	2.9
243.02910	3.6
244.03865	8.2
245.04568	37.5
246.01678	4.4
251.07166	1.7
252.04219	2.0
253.08752	4.2
257.08121	3.7
259.02332	8.9
261.03992	3.8
267.06598	4.1
269.08224	6.0
271.02463	2.8
271.05847	1.7
283.06009	2.5
287.09192	3.8
288.02771	3.7
289.03574	67.9
289.06836	3.9
290.03925	3.3
293.06644	2.8
297.07748	12.1
311.05682	2.7
311.70654	1.8
313.07111	4.3
315.08585	2.3
317.53137	1.6
321.06274	2.1
331.08167	3.7
341.06683	16.5
342.07172	2.0
361.25113	1.6
400.76639	1.8
451.08765	20.1
452.09152	2.6
477.14105	5.7
483.11197	6.0
521.13220	9.1
553.15649	60.9
554.15863	4.7
561.89600	2.3
653.47565	1.7
683.18433	4.0
715.20905	100.0
716.21680	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.2
59.01391	8.6
61.98830	7.7
68.99827	1.5
69.01148	1.0
69.03448	1.7
69.21287	6.1
71.01385	10.2
73.02924	2.4
78.95889	1.1
82.95425	1.4
83.01377	1.7
85.02930	3.9
89.02434	3.0
93.03452	2.2
95.01363	2.2
96.80334	1.0
96.96011	1.4
97.02940	1.3
101.02431	5.9
107.01398	9.4
108.02149	3.3
109.02966	7.1
109.69302	1.3
111.00891	1.8
113.02434	4.0
119.03465	2.3
119.04972	1.3
119.11012	1.2
121.02969	12.4
121.46291	1.0
122.03757	1.6
123.00892	9.7
123.04495	3.2
124.01691	5.9
125.02464	3.1
132.02148	1.2
133.02953	7.0
134.03804	2.4
135.04532	9.5
136.01648	11.0
136.98784	1.3
137.02449	13.4
138.03169	4.4
139.00314	2.9
139.04021	12.3
145.02887	2.5
146.03712	2.2
147.04552	13.3
148.05299	8.6
149.02435	2.6
150.03180	2.3
151.00401	1.8
151.04004	12.6
153.05568	9.7
155.03366	1.9
158.03671	2.4
159.04536	11.2
160.05309	23.6
161.02480	14.8
161.04710	2.0
161.06085	20.7
162.02774	2.6
162.06776	4.5
163.03938	1.7
164.04803	1.6
165.05565	2.4
166.99817	3.6
168.00629	6.0
169.01352	2.2
173.04622	1.5
173.06046	2.8
174.06612	1.4
175.03979	1.2
175.07643	18.3
177.05486	5.1
177.94086	1.3
178.02715	1.1
178.06334	7.3
179.03484	5.0
179.07063	2.1
181.01414	3.7
182.02194	8.3
183.02983	42.4
183.10234	1.2
186.05003	1.2
191.05640	6.2
192.07907	2.3
193.04977	1.2
193.08559	2.2
195.06676	1.3
197.04535	22.1
209.08093	1.2
209.11771	1.2
217.05048	1.4
221.04456	1.4
223.06027	1.3
225.03963	1.7
253.79768	1.2
268.07373	4.2
269.04562	6.7
269.07809	1.2
270.04892	1.4
283.09735	1.9
284.10547	6.4
285.04065	13.6
286.04297	4.1
287.05237	1.6
299.13129	6.1
299.18610	10.4
312.04800	2.3
326.06396	7.2
327.07193	26.0
329.13879	19.8
341.08777	16.0
342.08945	1.5
373.12897	9.0
387.14630	1.8
535.18274	1.2
553.22913	1.6
610.13531	1.4
643.14105	1.3
653.22400	1.4
683.19720	7.0
684.19763	1.5
715.22180	100.0
716.22827	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.2
59.01368	1.1
67.01888	0.2
67.16727	0.1
67.66074	0.1
69.03451	0.3
71.01374	0.7
73.02929	0.3
78.08296	0.2
81.03440	0.2
83.05025	0.2
85.02947	6.3
87.00885	1.2
89.02402	0.2
93.03458	2.7
98.21769	0.3
99.04511	0.2
109.02934	0.5
111.04514	0.7
127.04028	1.7
133.02959	1.3
135.04552	1.1
137.02513	0.2
151.48537	0.2
161.02434	1.8
171.02921	0.4
173.04512	1.3
177.01935	0.6
179.03484	1.1
191.05600	100.0
192.05948	2.5
193.04951	0.2
212.55180	0.2
215.05499	0.2
244.41325	0.2
339.07544	0.2
351.07181	0.5
352.07376	0.3
353.08740	15.6
354.09283	0.7
373.11362	0.2
375.06952	0.3
386.66849	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46311	0.2
57.03484	0.2
59.01374	2.3
66.15814	0.1
69.03440	1.2
71.01385	0.8
73.02952	0.2
79.95715	0.3
81.03448	0.2
83.04987	0.2
85.02947	5.8
87.00871	1.4
89.02441	0.6
93.03464	2.5
95.05015	0.4
95.97611	0.5
97.02975	0.2
99.04515	0.3
101.02428	0.5
101.10733	0.2
105.03488	0.2
109.02946	0.7
111.04523	0.6
113.02448	0.6
118.06620	0.3
119.03481	0.2
121.02931	0.2
123.04514	0.6
127.03999	1.5
133.02954	1.9
135.04517	3.5
137.02428	0.2
139.04041	0.6
147.04512	0.3
149.02470	1.0
149.06042	0.3
151.03943	0.4
151.07663	0.3
161.02435	3.7
162.03044	0.2
163.03992	0.3
164.07159	0.6
169.08705	0.2
171.03017	0.2
173.04539	1.0
177.01988	0.3
177.05582	1.0
179.03491	3.9
180.03836	0.3
187.33168	0.2
191.05606	100.0
192.05946	2.7
213.07703	0.7
215.05623	0.3
221.04535	1.5
244.02821	1.6
251.05533	1.6
279.05072	1.6
281.06644	2.6
288.32452	0.2
341.08755	3.0
343.07819	0.2
351.07214	0.4
353.08762	15.7
354.09067	0.9
355.26431	0.2
373.11343	0.6
375.07935	0.2
375.12845	1.7
376.13373	0.3
446.87143	0.2
473.41507	0.2
500.22989	0.2
524.96497	0.2
554.12921	0.2
669.45679	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78173	3.1
56.94777	3.3
57.12515	3.1
59.01377	8.3
60.11171	3.2
61.37483	3.0
61.98831	100.0
63.94646	3.1
71.01376	4.6
78.89417	3.7
78.95911	5.1
85.57874	3.5
89.02484	6.6
92.07192	3.1
101.02483	8.4
190.26979	3.2
212.38983	3.4
235.08276	3.6
272.63919	3.4
281.24899	16.7
322.34067	3.9
397.13507	28.5
398.13858	3.6
415.14474	11.1
484.46573	3.4
704.18146	3.7
715.36572	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	716.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67120	0.4
59.01384	2.9
64.97028	2.3
69.03462	1.9
71.01377	1.5
72.00627	0.3
72.00915	3.9
79.95278	0.8
79.95733	11.2
80.96515	7.4
85.02949	0.7
89.02438	1.6
92.77198	0.4
93.03441	0.9
95.05013	0.8
95.97615	29.1
96.96035	0.4
97.02952	0.9
101.02454	0.7
101.38359	0.4
113.02438	0.9
118.06629	15.2
135.04518	1.4
147.04524	16.6
148.04892	0.4
151.07632	1.0
151.98068	0.4
161.02490	0.7
162.05618	1.1
164.07161	41.2
165.07500	1.8
177.05495	0.4
179.03476	1.6
179.05547	0.5
180.03749	0.7
191.05617	10.6
192.05972	1.8
193.05037	0.4
193.91212	0.4
198.02306	1.2
213.07672	0.6
221.04448	0.4
226.01682	2.1
226.09239	0.4
244.02829	100.0
245.03145	3.5
281.06842	0.4
341.08630	1.3
342.09387	0.4
349.14890	0.4
353.08658	1.0
354.09155	0.7
373.11453	1.1
374.11725	1.1
375.12729	2.1
442.92032	0.5
614.59961	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
65.53087	0.2
65.60612	0.3
69.80064	0.6
73.52006	0.3
73.70525	0.2
93.03454	0.3
96.95985	0.3
104.23120	0.3
151.99197	0.3
398.14371	0.3
399.13702	0.4
466.18903	0.3
512.13501	0.4
527.15833	0.3
544.11206	0.3
614.19958	1.2
615.20721	0.4
647.55438	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.6
67.01891	0.7
69.03451	1.0
70.86215	0.3
71.01369	2.1
72.99287	0.4
81.03476	0.3
83.01376	0.5
89.00335	0.7
89.02414	1.7
93.03452	1.8
95.01372	1.4
101.02441	1.0
106.00577	0.7
111.04498	0.5
113.02439	1.2
119.03499	0.5
119.05058	0.4
121.02954	12.7
123.00884	14.5
125.02434	0.4
127.00402	0.4
133.02942	1.3
133.06580	0.5
135.04518	1.0
136.01653	0.9
137.02434	1.1
138.03227	20.0
139.03482	0.4
149.06111	0.5
150.03212	0.5
151.04041	0.6
151.07608	0.4
153.05576	17.9
154.05760	0.5
155.03496	0.5
161.02431	3.6
165.05565	0.8
166.99844	6.8
168.00133	0.5
173.04553	7.0
174.04842	0.8
177.05592	0.9
179.03459	0.5
179.05659	0.6
181.05087	0.4
182.02214	25.3
183.02591	0.9
183.10208	0.7
185.11830	5.2
191.05653	0.9
197.04544	100.0
198.04880	2.9
209.04478	0.4
210.72891	0.4
261.00815	0.4
357.11703	1.7
357.15601	2.8
359.09842	9.2
359.16803	2.9
360.10031	0.5
397.13321	0.4
507.20346	0.7
555.16949	7.1
556.17426	0.8
717.24011	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	717.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87101	0.9
51.58108	0.9
54.58089	1.0
57.03461	1.2
59.01377	51.1
61.98822	1.5
67.01888	1.0
68.99844	0.9
71.01378	32.4
72.99303	1.6
73.02966	2.4
74.25087	0.8
81.03448	1.1
83.01398	1.0
85.02953	6.0
87.00871	2.5
89.02442	43.2
89.03008	2.1
89.60108	1.0
93.03455	3.1
94.51513	1.0
95.01385	2.5
95.05009	1.1
96.95988	1.6
97.02925	1.0
101.02435	21.3
108.02195	2.0
109.02953	10.6
111.00900	1.1
113.02447	15.0
114.44435	1.0
117.45564	0.8
119.03506	19.8
121.02943	9.2
122.03767	5.2
123.00889	3.8
124.01625	1.3
125.02455	1.8
131.03598	2.1
133.02957	3.4
135.04541	9.9
136.01657	10.5
137.02458	8.5
138.03223	3.4
139.00342	1.5
143.03514	3.8
143.04939	0.9
145.02931	1.0
146.03761	3.0
147.04541	1.4
149.02451	9.8
149.04492	1.1
150.03215	27.0
151.00298	1.1
151.04030	8.4
153.05563	5.9
155.03543	1.6
160.05273	1.5
161.02458	4.6
161.04558	3.8
161.05917	2.0
164.04758	1.9
165.02019	1.0
165.05566	29.0
166.99892	2.6
173.04526	2.6
173.05980	0.9
175.04021	4.7
176.04793	4.1
177.01909	1.7
179.03500	3.9
179.05627	10.2
180.04225	2.8
181.01372	4.2
181.05061	1.3
182.02180	6.6
183.02960	2.5
189.05579	2.5
190.06314	1.2
191.05585	2.4
191.07140	4.7
195.06635	16.6
196.03738	1.3
197.04529	23.1
225.04024	1.2
250.06340	0.9
261.05444	1.3
263.07193	0.9
266.05945	0.9
267.06558	7.4
268.03604	0.9
279.06671	7.4
282.08896	5.8
283.09741	3.1
290.04074	0.9
293.08173	1.1
294.08929	4.9
297.07709	2.6
297.11273	7.7
309.11508	1.8
311.03986	1.2
311.09222	8.3
312.10031	10.2
315.12106	1.2
316.65756	1.0
317.65457	1.0
326.06427	7.7
326.11584	6.8
327.12363	39.6
328.12619	2.2
341.08780	100.0
341.13757	14.4
342.09042	4.2
345.13351	3.9
357.13403	5.0
375.14502	2.4
489.19318	5.3
493.13531	2.2
519.20630	2.0
669.25543	2.0
687.22656	2.0
717.24634	18.9
718.24786	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	717.242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14781	2.5
57.20068	3.0
59.01379	87.3
61.98814	11.6
71.46094	2.9
71.64684	2.6
75.69902	3.0
78.95894	3.1
93.54079	2.7
96.96017	5.6
109.99527	3.3
152.99605	3.2
186.61668	3.0
201.91180	3.6
237.45844	3.3
371.60071	3.4
446.61334	3.0
457.18570	3.7
495.13016	3.9
496.13760	17.8
497.14560	12.7
510.15268	6.5
511.16168	9.7
512.16119	4.4
513.18011	7.0
539.19427	5.8
544.15814	4.0
567.18976	13.3
571.18463	12.9
598.20758	6.1
599.21490	30.6
600.22144	7.0
657.21698	16.7
685.69836	3.3
709.93555	3.2
717.24182	100.0
718.24255	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	717.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.3
57.03436	0.9
58.00592	0.5
59.01381	26.3
62.25258	0.3
69.03453	17.7
69.59541	0.3
69.87263	0.2
71.01381	14.8
73.02946	0.8
81.03460	0.7
83.01404	0.8
85.02953	2.3
87.00876	1.8
89.02443	17.5
93.03455	1.0
95.01384	0.9
95.05026	8.2
99.04509	3.1
101.02438	8.0
107.05043	3.7
107.08667	3.1
109.06588	0.7
113.02453	12.6
119.03501	5.8
121.06606	1.0
123.08164	0.4
125.06085	5.2
129.00171	0.3
131.03514	0.9
133.06535	0.4
143.03494	1.0
149.04559	1.7
149.06038	0.5
151.07640	8.0
161.04597	1.3
169.08702	10.6
179.05614	4.8
195.06624	4.0
213.07689	17.3
263.94666	0.3
331.13968	5.3
341.10867	23.9
342.11252	0.7
373.11325	0.5
374.11435	0.3
375.12936	100.0
376.13257	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	717.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51058	0.5
59.01383	6.5
61.98826	4.0
65.25947	0.5
67.01924	0.5
67.14532	0.4
68.99812	0.6
71.01388	2.6
82.02981	3.2
85.02984	1.2
89.02424	2.4
93.03486	1.0
95.01433	0.8
101.02471	2.0
106.06635	4.7
107.05016	0.5
108.04633	0.9
110.02496	0.7
113.02444	1.1
119.03490	1.1
122.06149	1.1
132.04558	14.6
133.02986	2.7
133.05348	13.2
134.03761	1.4
134.06129	21.7
135.04518	3.8
135.06531	0.7
136.04047	1.0
137.02486	0.9
149.04826	1.5
150.03227	0.8
155.03542	1.4
160.04041	13.6
161.02655	6.0
161.04817	35.4
162.05609	48.9
163.05989	1.7
165.05598	1.2
173.04671	1.4
176.03525	1.1
179.03542	2.2
179.05695	0.7
186.05621	1.9
188.03555	0.9
191.05653	1.2
193.03763	16.7
194.04257	0.9
195.06523	0.5
203.03659	0.6
212.07155	2.9
213.07951	1.4
214.08757	2.2
226.08798	1.4
238.04971	0.5
240.10239	0.8
241.06339	2.4
242.11896	3.1
243.11484	2.1
251.09299	0.7
254.07016	0.6
257.09280	5.0
267.11511	0.5
268.09857	2.3
269.09360	4.5
271.09781	1.5
285.12436	30.6
286.12964	0.9
301.11026	0.6
311.10315	5.2
329.11420	100.0
330.11661	6.7
347.17108	0.8
357.13675	0.9
369.13333	1.9
545.78107	0.6
555.20697	2.1
625.80359	0.5
657.73645	0.6
699.24237	1.6
700.24567	0.7
717.25018	25.7
718.25507	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	717.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.6
59.01378	9.0
60.11241	0.3
60.99277	0.8
67.01894	2.7
69.03457	5.6
69.26296	0.8
69.26698	1.4
71.01377	5.6
72.21078	0.3
81.03459	0.6
83.05005	0.4
85.02949	5.0
85.12949	0.3
87.00877	4.6
87.30232	0.3
89.02446	4.0
93.03455	21.5
94.03799	0.7
95.01379	0.4
96.95954	0.4
97.02946	7.0
99.04524	0.5
101.02441	2.0
105.03473	0.3
109.02979	0.4
111.04517	2.8
113.02414	1.7
116.28060	0.3
119.03541	1.8
119.05019	5.4
120.78299	0.3
123.04532	1.4
127.04028	1.5
129.01938	1.0
133.02890	0.3
134.03763	0.4
135.04536	1.1
136.04883	0.5
137.02409	0.5
143.03461	0.5
143.85089	0.3
145.02942	1.1
147.12952	0.3
149.06081	2.7
155.03503	0.8
161.04408	0.4
163.03984	5.5
167.07147	0.8
171.02979	0.5
173.04556	7.8
179.03485	1.8
179.05513	0.7
180.03841	0.6
191.05602	100.0
192.05983	3.0
193.03311	0.4
193.05051	6.2
193.10312	0.3
257.86893	0.3
337.09271	34.2
338.09537	2.1
341.08844	0.7
342.09222	0.4
343.09048	0.7
357.12149	0.4
367.11035	0.3
373.11377	13.9
374.11652	1.3
375.12515	0.6
405.32864	0.3
555.21368	0.5
612.06702	0.5
613.17157	0.3
641.30457	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	718.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
57.03444	1.1
59.01379	45.3
60.01703	0.5
61.98824	2.4
69.03445	1.7
70.34946	0.5
71.01380	28.8
72.99270	0.5
73.02945	4.1
74.01353	0.4
76.99407	0.5
81.03442	1.3
83.01378	3.9
85.02949	5.4
87.00883	5.5
89.02445	26.9
91.03952	0.5
95.01360	2.1
95.53786	0.4
97.02943	4.6
99.00857	1.4
99.04533	0.4
101.02442	20.8
103.03960	0.5
109.02979	0.5
111.04494	1.2
113.02449	9.5
115.04028	0.8
119.02738	0.7
119.03511	8.0
119.16277	0.6
125.02437	9.3
127.03947	0.5
131.03514	1.2
133.05048	0.9
134.72734	0.5
141.01848	0.6
143.03520	3.6
143.15953	0.4
160.95561	0.4
161.04572	4.7
169.04982	0.5
179.05624	5.6
184.48093	0.4
185.04613	0.4
199.06290	0.6
206.20264	0.4
217.07178	0.5
221.06624	1.6
235.08203	10.4
245.06737	0.7
253.09308	2.0
263.07724	1.1
277.21719	71.0
278.22009	3.1
286.07272	0.5
287.07736	3.5
305.08789	4.2
323.09811	1.6
379.12686	1.1
397.13498	100.0
398.13736	4.1
409.12079	0.5
415.14554	35.4
416.14822	1.1
428.99139	0.5
524.93823	0.5
646.02490	0.6
675.36188	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.03437	1.1
58.00593	1.0
58.79710	0.6
59.01381	41.9
61.98824	1.2
68.70034	0.8
68.99863	0.7
69.03443	1.9
71.01385	28.6
72.99309	1.3
73.02946	4.8
74.92399	0.6
75.00844	0.8
81.03453	1.1
83.01386	3.6
84.74359	0.8
85.02937	5.1
87.00877	6.7
89.02444	23.7
95.01405	1.8
97.02952	4.3
99.00891	1.8
99.44368	0.7
101.01781	1.2
101.02446	20.6
111.04473	0.8
113.02449	10.6
119.03512	7.9
121.02937	0.9
125.02434	9.7
131.03510	1.3
143.03508	4.4
161.04553	6.0
167.03523	1.1
179.05672	3.9
221.06668	2.6
234.08734	0.8
235.08228	11.4
253.09274	2.5
263.07642	1.0
277.21735	73.7
278.22034	3.5
287.07721	2.4
293.85751	0.7
305.08713	3.7
323.09818	1.4
379.12576	0.8
397.13492	100.0
398.13904	5.4
415.14563	33.1
415.20169	1.6
416.14886	1.4
437.85889	0.9
675.35968	2.9
732.46545	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
59.01380	36.6
66.74384	0.6
69.03452	1.7
69.24609	3.0
71.01382	24.4
73.02936	1.0
83.01395	0.9
85.02943	3.7
86.44145	0.6
87.00874	0.8
89.02448	19.6
95.01358	1.0
95.05035	0.6
98.21877	1.5
101.02441	10.4
105.07089	3.9
107.05025	2.8
113.02448	7.6
119.03496	7.0
123.04507	0.7
123.08158	9.9
127.52411	0.6
131.03516	1.4
133.06552	0.9
135.04433	1.2
135.08179	7.0
143.03506	1.5
149.06139	0.6
151.07745	1.5
153.09195	1.2
161.04575	1.7
167.07173	6.9
169.08665	2.0
179.05594	5.0
179.07095	1.2
191.05615	1.7
197.08194	32.5
213.07695	0.8
215.03288	2.0
216.34891	0.7
228.96068	0.6
331.13724	0.8
333.15051	1.0
341.10864	9.6
342.11200	1.3
347.13489	1.2
375.12875	3.1
376.13202	2.6
377.08585	36.1
377.14447	100.0
378.08917	2.1
378.14816	3.9
719.19244	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	719.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.9
59.01379	33.9
67.30418	0.6
69.03465	0.7
69.93100	2.0
71.01382	22.5
72.99282	0.6
73.02945	1.3
74.01899	0.6
83.01380	0.9
85.02959	2.9
87.00861	1.0
89.02443	21.6
93.03414	0.8
95.01416	1.1
98.22647	0.8
101.02441	10.1
105.07107	4.0
107.05019	4.1
109.06625	0.9
113.02459	6.8
119.03505	8.5
123.08168	10.4
133.06606	1.1
135.08171	7.7
143.03468	1.0
149.04599	0.7
151.07658	0.8
153.05605	0.7
153.09221	1.8
161.04558	1.5
167.07153	6.9
169.08710	1.5
179.05605	4.8
179.07063	1.0
191.05592	1.6
196.03482	0.6
197.08191	32.7
198.08553	0.7
211.02580	0.6
213.07759	1.0
214.79718	0.6
215.03249	2.8
341.10880	14.6
342.11234	0.9
347.13599	1.0
375.12823	3.3
376.13242	1.6
377.08572	57.4
377.14456	100.0
378.09204	3.3
378.14148	3.1
439.50946	0.7
719.20880	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
56.11239	0.7
57.03444	1.2
59.01377	13.8
61.97094	0.6
61.98830	1.4
67.01889	4.5
68.99815	0.7
69.03447	2.0
70.02007	0.6
70.77381	0.6
71.01377	10.2
71.47148	0.7
73.02954	3.7
74.88073	0.7
80.79035	0.6
81.03465	0.8
83.01398	1.8
83.05027	1.0
83.52501	0.6
85.02954	5.9
87.00889	1.4
89.02444	3.4
92.56836	0.8
93.03462	29.6
94.03852	0.7
96.96016	1.3
97.02972	1.5
99.00887	1.1
101.02449	9.3
109.02910	0.9
109.68464	0.8
111.00893	1.9
111.04509	5.7
113.02450	3.1
119.03510	0.8
123.04614	0.7
125.02409	1.0
126.09940	0.7
133.02956	1.7
133.76822	0.7
135.04533	2.2
137.02449	6.4
139.00385	0.7
155.03500	5.4
155.10815	4.4
161.02367	3.6
161.04543	1.5
173.04546	96.4
174.04910	1.8
175.13855	0.7
177.37492	0.7
179.03549	1.2
191.05624	2.6
199.09825	3.6
243.87607	0.8
262.29312	0.8
283.87204	0.8
301.07269	1.9
317.21194	1.6
335.22244	3.9
342.02109	0.7
347.17084	19.2
376.67896	0.6
405.18018	0.8
424.02405	0.7
449.97147	0.7
458.65369	0.9
465.77271	0.7
497.27570	23.2
521.22388	100.0
522.22931	6.4
541.13196	1.7
557.22009	1.7
598.22565	0.8
659.32660	1.8
683.25385	4.1
683.36865	4.3
719.26947	1.8
719.39233	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96229	0.4
64.97015	2.3
69.38898	1.1
72.00900	3.2
79.95728	10.2
79.96204	0.5
80.71376	0.2
80.96033	0.3
80.96512	5.7
81.94082	0.2
91.05516	0.4
95.97610	26.9
96.96002	0.3
103.05524	0.5
118.06628	13.0
119.06973	0.4
127.62624	0.3
147.04510	13.5
162.05582	0.5
164.07156	36.6
165.07465	1.3
177.66443	0.3
190.64294	0.3
198.02309	1.2
226.01793	1.9
240.39349	0.3
244.02818	100.0
245.03108	4.0
305.57620	0.3
308.91983	0.3
326.39288	0.3
495.42053	0.3
565.11346	0.3
736.96942	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20036	0.9
55.01863	1.4
59.01379	32.7
59.96268	1.2
61.98818	3.1
68.24865	1.0
69.03444	2.2
71.01383	25.3
73.02931	5.3
81.03432	2.0
82.24910	1.0
83.01389	2.2
85.02966	5.2
87.00862	5.6
89.02450	23.0
95.01374	2.3
97.02939	3.1
99.00894	1.6
101.02431	21.5
106.98268	0.9
110.14210	1.1
111.04503	1.7
113.02445	8.4
119.03522	7.4
125.02456	9.6
127.03990	1.3
139.03909	1.2
143.03484	2.9
149.04480	1.0
161.04552	5.6
161.05705	1.1
177.77757	1.1
179.05592	4.7
221.06647	1.3
235.08234	10.0
253.09320	3.1
279.23270	77.8
280.23773	5.2
280.78238	1.0
287.07751	3.9
305.08801	4.0
397.13495	100.0
398.13760	7.0
415.14572	32.1
416.14624	1.8
575.44043	1.1
677.37494	3.0
716.17480	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.5027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71524	0.4
69.28813	1.6
81.03452	3.0
83.05025	7.3
91.65495	0.3
98.22733	0.6
98.36926	0.3
125.07194	0.7
141.97388	0.3
149.50623	0.3
207.15042	0.7
212.90724	0.3
219.32718	0.3
224.17561	1.3
225.16051	8.0
320.26355	0.3
324.26413	0.5
341.29065	0.4
367.26981	0.8
433.31958	0.8
450.34290	0.8
451.32867	5.3
474.97296	0.3
495.78485	0.3
518.89362	0.4
550.43365	0.6
593.43719	0.5
626.15381	0.4
659.48956	1.2
677.49646	100.0
678.49945	14.8
678.59607	0.3
720.50238	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	721.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66927	0.5
54.22124	0.5
55.01877	0.9
57.03425	0.7
57.24895	0.5
58.00595	0.6
59.01380	28.7
61.98825	2.1
64.92169	0.5
65.00300	0.5
67.01858	0.6
69.03460	5.0
71.01384	22.9
72.99299	0.8
73.02948	3.4
75.00861	1.1
79.01910	1.2
80.91656	0.7
81.03455	1.8
83.01385	2.2
85.02951	4.0
87.00864	0.8
88.98819	0.7
89.02448	23.0
93.03447	0.7
95.01395	1.8
96.96000	1.3
97.02945	5.7
99.00881	5.3
99.04530	0.8
101.02449	6.3
107.01411	2.8
108.02184	13.6
109.02958	13.7
113.02430	2.3
115.04009	3.1
119.03500	0.7
121.02952	1.2
122.03716	0.7
125.02449	16.7
127.04044	0.6
131.03493	2.0
133.02951	1.6
135.00900	4.3
135.04498	2.0
137.02428	1.5
143.03494	1.2
149.04539	3.6
150.03212	1.2
151.00328	2.6
151.03920	0.6
151.99921	1.2
152.01157	24.4
153.01947	15.4
155.03528	1.9
161.02475	2.7
163.03952	1.1
165.02023	0.8
167.03506	0.8
172.05270	0.6
173.04573	1.0
177.01924	0.7
179.03581	0.9
183.10260	2.0
191.05559	4.3
197.06055	1.3
227.03464	0.6
233.06654	6.9
243.06609	2.0
243.28960	0.5
269.04477	1.4
284.03140	1.2
285.04028	3.2
293.08798	17.9
309.04007	0.6
315.07333	1.1
326.15149	0.8
411.09329	0.7
426.56909	0.7
429.10373	100.0
430.10675	7.0
433.13522	0.6
452.14493	1.2
478.15891	0.7
495.16602	1.3
496.16895	5.3
497.17633	1.1
581.48370	0.6
658.22168	10.1
659.22650	1.0
685.38654	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19711	1.4
57.03445	6.1
59.01374	6.1
59.37726	1.3
60.99283	1.4
61.25348	1.5
61.98831	37.4
65.00312	11.0
68.99828	1.5
69.03460	1.4
70.82118	1.4
71.01376	3.6
74.02498	1.6
80.91650	1.8
81.03455	3.3
82.95444	3.4
83.01383	8.9
87.00854	3.4
88.98802	6.4
89.02429	3.9
93.03464	2.7
95.01408	1.7
96.95991	6.9
100.00414	4.4
101.02410	2.5
107.01383	12.6
109.02948	1.8
121.02940	2.6
122.02494	2.4
123.04514	21.8
125.02447	64.5
126.02762	2.4
133.02965	3.4
135.04507	4.4
137.02483	2.4
149.02423	4.8
151.00366	56.7
151.04022	2.2
152.00697	1.8
153.01984	2.3
159.04523	4.6
160.05298	4.8
161.02467	6.8
163.04004	2.1
164.40108	1.4
165.00183	1.5
165.01968	1.6
165.05588	1.6
167.03506	52.6
168.03841	1.7
172.05266	6.7
173.04581	3.1
173.05876	2.8
175.00388	6.0
177.01926	3.4
179.03500	3.4
185.06194	1.5
186.06833	1.9
187.03976	3.2
187.07629	1.7
191.03487	10.0
191.05589	8.1
192.01212	1.5
197.05849	1.6
199.04143	3.4
200.04788	6.0
201.05550	3.8
202.06296	2.5
209.04492	2.7
212.08662	1.7
221.04510	1.8
227.03522	7.9
228.04332	6.9
237.05128	1.7
239.07098	1.4
245.20007	1.6
269.04556	3.2
283.10458	2.8
283.13419	42.8
283.16544	3.0
284.03183	2.7
284.13620	5.5
285.04099	9.2
299.16443	1.8
301.14511	15.2
309.03885	6.9
309.14880	9.2
310.04807	5.0
311.12909	14.8
327.12225	4.7
327.16003	10.6
329.08505	2.5
329.09814	2.4
329.13904	25.1
330.14355	1.7
343.15424	1.8
345.16922	4.3
353.13901	6.0
371.15039	30.4
372.15381	2.7
453.15213	9.4
479.16791	7.5
497.18207	100.0
498.18613	11.3
520.12994	2.6
521.18152	2.2
615.21002	3.2
621.14172	4.4
641.22607	2.6
659.23480	83.2
660.23566	9.9
691.18353	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	722.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56251	0.5
59.01381	1.0
60.97508	0.5
61.98829	100.0
65.00334	0.6
65.26628	0.4
69.59125	1.8
71.01367	0.6
79.17802	0.5
83.01355	0.5
83.45822	0.5
98.21786	0.7
99.79461	0.4
107.01418	1.5
125.02434	1.3
133.02968	1.0
134.03784	1.5
135.04509	2.0
136.01640	0.9
151.00377	5.0
161.02550	0.6
164.01132	2.8
174.03255	1.2
175.00427	0.8
179.03397	0.6
191.05573	0.6
196.00153	0.7
199.03979	2.3
200.04451	0.7
201.01993	1.2
211.13304	0.5
240.04520	0.6
241.05147	1.5
242.05835	1.4
257.04599	0.8
269.04562	0.8
285.04028	7.0
286.04785	5.1
287.05627	1.1
307.22525	0.6
334.34702	0.6
340.41513	0.6
371.15149	0.7
448.10281	2.0
472.37106	0.5
497.18179	27.7
498.18585	3.1
539.19043	0.9
560.73560	0.6
659.23438	7.9
660.23993	1.1
722.32159	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.5
59.01382	4.1
60.99312	0.9
64.56818	0.4
67.01898	2.7
69.03456	2.0
70.26514	0.3
71.01374	2.6
71.44014	0.4
73.02939	0.7
78.84169	0.3
81.03458	1.1
82.96069	0.4
83.05019	1.1
84.04574	0.4
85.02953	6.6
87.00878	6.1
89.02446	0.6
89.95278	0.4
93.03458	25.9
95.05022	0.9
95.97599	0.5
96.96004	0.5
99.00857	0.4
101.02475	0.8
105.03457	1.9
105.73692	0.4
107.05032	1.3
109.02955	1.6
111.04525	4.2
113.02443	0.5
115.04046	0.4
123.04524	1.0
127.04020	1.9
129.01947	0.6
133.02960	20.2
135.04553	2.8
137.02486	0.6
150.03215	0.6
151.03954	0.7
155.03513	1.1
161.02434	2.1
163.04056	0.8
164.07152	1.3
169.08707	0.6
170.06451	0.4
171.03017	0.6
173.04559	16.4
177.01926	4.6
179.03484	1.3
191.05618	100.0
192.05971	3.7
193.06143	0.4
195.03009	4.0
213.07780	0.5
215.05609	5.1
222.45445	0.4
244.02847	1.0
246.02655	0.5
266.23233	0.4
295.06024	0.6
307.08264	0.9
311.35989	0.4
349.15063	1.3
351.07196	14.8
352.07339	1.0
353.08777	11.3
353.12598	0.3
354.08939	1.2
369.08295	22.0
369.12830	1.4
370.08551	1.5
373.11395	0.8
375.13016	0.9
375.59238	0.4
531.15479	0.4
692.91028	0.4
753.46539	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.3
56.66940	0.3
57.03443	0.7
57.89405	0.2
59.01379	6.9
67.01884	2.3
68.99814	3.2
69.03468	1.4
69.33430	1.2
71.01382	6.7
73.02946	0.2
77.98583	0.3
79.01905	0.4
81.03458	1.1
83.01386	0.4
83.05037	0.5
85.02969	1.5
87.00882	0.6
89.02450	3.8
93.02856	0.5
93.03459	12.6
95.01388	19.5
96.01730	0.5
96.95988	0.3
97.02948	0.5
98.22593	0.5
99.00916	0.3
101.02445	8.1
108.02164	0.4
109.02949	1.0
111.00912	0.4
111.04520	3.6
111.89589	0.2
113.02460	1.3
119.03498	1.1
121.02980	0.8
123.00887	0.9
123.04527	8.1
127.04006	1.2
133.02950	1.4
134.03725	0.6
135.04550	1.3
137.02423	0.8
143.03574	0.4
149.02455	1.4
149.06149	0.5
150.03201	0.3
151.03983	0.3
155.03508	100.0
156.03838	2.0
157.05028	1.2
161.02437	3.9
163.04095	0.3
165.05606	0.4
173.03056	0.5
173.04558	9.4
173.58412	0.3
175.04053	0.4
179.03523	0.9
181.05052	0.7
191.05647	0.5
193.05156	0.6
225.07593	0.5
297.06235	0.6
297.09656	0.3
311.07791	0.5
329.08850	2.0
381.12054	0.4
399.13382	0.3
471.70212	0.3
561.18237	97.7
562.18549	6.0
687.22742	0.7
723.22162	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40139	1.8
56.95676	1.8
59.01379	100.0
61.22007	2.2
65.37640	2.0
69.03461	5.4
70.00986	3.4
70.01306	3.4
71.01381	35.3
72.99301	3.9
73.02944	6.6
83.01389	3.3
84.86263	2.0
85.02962	10.1
85.50741	2.0
86.43629	2.4
87.00870	5.0
87.01701	2.1
89.02448	28.6
91.32927	2.2
93.03466	8.4
95.01385	4.3
95.05030	3.0
96.96019	4.7
101.02438	25.0
109.02925	2.2
113.02451	15.3
119.03500	17.4
119.04954	2.9
121.02940	14.7
122.02478	2.7
123.04518	2.4
125.11932	2.4
133.02946	6.0
135.04533	15.3
137.02457	2.4
143.03491	4.0
145.06593	2.7
147.04546	3.4
147.08202	6.2
148.05304	49.9
149.06084	3.7
149.68712	2.1
150.03206	3.0
151.00385	6.3
155.03523	3.6
161.02426	8.1
161.04578	5.8
163.04001	2.3
163.07642	38.5
173.04558	6.9
173.05966	5.3
179.03578	5.4
179.05617	7.3
189.05635	3.4
191.05583	13.2
191.07166	8.0
269.04507	2.7
285.04047	25.5
287.05289	2.9
327.07208	2.5
371.13391	3.9
397.11777	2.5
447.16531	6.2
491.15668	5.5
501.32306	13.4
543.18585	4.2
559.16473	3.5
663.36572	3.7
723.24860	61.7
724.25153	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	723.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.6
57.03447	2.5
58.00581	1.8
59.01377	100.0
60.99323	0.5
61.98840	2.7
65.03955	1.7
67.01882	2.0
68.99810	1.6
69.03067	0.9
69.03452	21.9
71.01379	52.8
71.44024	0.5
72.01736	0.8
72.99309	2.0
73.02934	5.3
73.03239	0.5
75.00877	0.6
75.78977	0.5
80.02729	0.4
81.03446	1.2
82.95415	1.4
83.01384	6.4
83.04999	0.5
84.95123	0.9
85.02946	20.6
87.00867	5.3
88.98811	4.5
89.02442	50.2
90.02772	0.7
91.05525	0.8
93.03457	17.1
95.01373	4.8
95.05023	17.5
96.95982	1.2
97.02955	1.2
99.00890	1.3
99.04501	0.5
100.14805	0.5
101.02439	32.8
105.03468	0.6
107.05032	1.5
109.02968	2.3
109.06573	0.6
111.00877	1.6
113.02440	23.9
115.05498	0.5
117.03468	0.8
117.07057	1.1
119.03503	20.9
119.04867	2.5
119.08633	0.6
120.02165	1.9
121.02953	67.2
121.06588	6.3
121.42130	0.5
122.03312	1.9
123.04524	3.2
125.02441	2.4
127.03999	0.7
129.01958	1.0
129.07080	3.1
130.04234	2.2
131.03520	2.8
131.05031	2.3
132.05815	1.0
133.02962	2.4
135.04524	4.6
135.08144	0.7
137.02435	0.8
137.06131	1.3
139.00499	0.6
139.03992	3.4
143.03517	4.7
143.05002	1.5
145.02939	0.5
145.06575	6.2
147.04520	4.9
147.08162	13.1
148.05301	97.1
149.02409	1.5
149.04538	1.2
149.05934	4.5
151.04034	0.5
153.01973	0.6
158.03758	1.2
159.08211	0.5
161.02443	5.7
161.04549	7.5
161.06050	3.3
162.02797	0.7
163.04027	4.2
163.07643	61.9
164.07927	2.7
165.01921	4.7
165.05545	2.0
165.09195	5.3
166.02246	0.5
171.04521	0.9
171.08109	1.1
173.04575	1.2
173.06046	11.5
174.06390	0.6
175.07660	0.7
175.50568	0.5
177.05556	1.1
179.03531	1.6
179.05594	11.7
181.05087	1.7
187.03894	0.5
187.07664	0.9
189.05580	5.6
191.05576	2.5
191.07130	22.1
192.07443	1.1
199.04027	0.8
201.09267	0.7
205.08832	0.6
207.02994	1.7
209.06310	0.7
209.08203	5.1
215.06947	2.7
217.05084	4.6
221.04608	0.6
225.04025	2.0
227.06946	0.5
229.07121	2.1
233.08168	2.5
235.06114	1.6
249.03986	0.9
257.08139	0.9
259.06140	3.4
267.05026	0.9
273.07498	0.8
277.07217	2.2
283.08246	6.3
284.03278	0.8
285.03949	1.9
286.04428	0.8
295.08194	1.8
301.07062	1.7
309.06326	0.7
309.09540	0.7
314.20267	0.5
319.08090	1.1
327.07196	14.4
328.07645	1.1
328.16312	0.5
335.11377	4.7
353.12460	3.8
371.13440	25.5
372.13730	2.2
379.10165	1.9
393.15353	1.0
397.06378	0.9
397.11365	13.5
398.11554	1.5
413.14304	2.7
415.12393	10.8
416.13055	0.7
439.12540	2.9
447.16553	14.2
447.22324	0.5
448.16757	1.9
457.13525	7.2
458.13824	0.8
481.13440	4.9
491.15564	73.4
492.15829	8.6
499.13824	3.9
499.20651	1.1
501.32074	0.6
511.14392	0.9
517.20770	0.8
543.18719	6.6
544.18866	1.4
559.16602	15.7
560.17072	1.7
561.19672	8.0
562.19617	1.2
650.62012	0.6
663.36865	2.5
685.37543	1.7
723.24896	67.4
724.25195	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	723.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
61.98825	0.3
63.02404	0.8
65.00343	0.6
69.38107	0.9
76.02505	0.2
83.01413	0.3
90.45975	0.2
98.22610	0.4
107.01397	1.7
109.02930	0.5
113.03278	0.2
113.58305	0.2
121.02962	0.6
132.02222	0.2
133.02959	2.8
134.03738	0.3
135.92479	0.2
149.02454	0.9
151.00365	3.1
175.03943	1.2
177.01923	0.3
183.04465	0.3
185.06059	0.2
187.03992	0.3
197.06081	0.3
199.04018	1.5
200.04727	0.3
201.01987	0.3
211.04027	0.6
212.04788	0.4
217.05180	0.9
227.03441	0.9
239.03436	0.3
241.05060	0.7
243.03004	0.4
255.03027	2.4
256.03735	2.0
257.04514	0.3
269.04517	0.5
283.02509	2.0
284.03253	36.8
285.04025	100.0
286.04385	6.4
297.03955	0.6
299.05759	0.3
313.03604	1.4
327.04990	0.8
339.05124	0.2
429.08051	0.3
447.09247	0.3
488.09534	0.5
501.10791	1.1
515.11969	0.4
529.13470	0.3
585.19550	0.5
602.79749	0.2
625.23114	2.4
626.23071	0.5
717.53308	0.2
723.30200	55.4
724.30530	10.1
724.43390	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.01376	43.0
67.01886	1.1
69.03455	27.2
69.62400	0.4
70.03776	0.6
71.01379	21.9
72.99302	0.8
73.02948	0.7
82.85588	0.5
83.01369	0.8
85.02943	3.9
87.00875	1.3
89.02441	23.2
93.03455	7.1
94.03861	0.5
95.01387	1.8
95.05030	0.9
97.02946	33.0
98.03265	0.7
98.22650	1.6
101.02431	10.5
105.03467	2.1
111.00889	1.0
113.02440	7.7
119.03486	7.2
119.05000	0.9
120.24101	0.4
121.02930	1.0
121.06586	1.9
121.24767	0.5
123.04518	8.2
125.02444	0.5
133.02969	1.2
135.04462	0.6
141.01945	1.2
143.03513	1.2
147.04422	0.8
149.06071	13.3
150.06390	0.7
161.04597	0.7
167.03532	0.5
167.07118	5.5
169.08826	0.6
173.66891	0.4
177.01917	1.1
179.05649	2.5
191.05573	3.4
193.05045	28.0
194.05424	1.1
349.14819	2.5
373.11362	100.0
374.11722	7.6
484.72098	0.5
517.51093	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71395	0.2
61.98840	0.3
63.02412	0.2
65.00330	1.2
69.17889	1.4
73.87663	0.2
75.31557	0.3
78.78792	0.3
79.83211	0.2
80.02647	0.2
80.46510	0.3
83.01373	1.9
107.01381	2.9
108.02176	2.1
116.92857	0.3
121.02963	0.2
124.01666	0.6
125.02449	3.8
132.16153	0.2
133.02844	0.3
134.03740	4.2
135.04526	0.8
136.01662	4.2
149.06096	1.1
149.99579	0.3
151.00369	8.3
152.01070	0.3
158.03725	1.3
160.01649	0.4
164.01157	12.0
165.01712	0.3
172.05275	0.3
173.06062	0.6
174.03215	3.1
176.04770	0.3
177.01886	0.5
185.02415	0.4
185.58743	0.3
188.04744	0.4
196.00125	2.0
199.03987	3.7
200.01013	0.4
200.04855	1.4
201.01926	3.1
202.02658	0.4
211.03763	0.2
213.05469	0.6
214.06364	0.9
215.03510	1.4
215.07141	0.4
216.04274	0.7
217.05055	0.8
224.04742	0.3
227.03502	1.1
230.05882	0.4
240.04324	0.8
241.05049	1.7
242.05852	6.5
257.08224	3.4
258.05319	1.8
259.05994	0.3
268.03812	0.9
283.06128	1.3
285.04013	1.1
286.04813	6.9
287.05414	0.4
301.07162	100.0
302.07516	4.9
343.08328	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87434	0.9
56.81241	0.8
59.01376	11.3
60.99282	0.9
67.01881	3.7
69.03453	3.4
71.01381	8.3
73.02948	1.6
74.56743	0.8
77.03978	0.9
81.03473	1.3
82.22316	0.9
83.05042	0.9
85.02948	9.7
87.00868	10.9
89.02441	3.1
93.03459	27.7
95.05029	3.4
97.02946	3.4
99.00906	0.9
99.04557	1.1
101.02445	1.9
105.03465	10.6
107.05010	1.4
108.77636	0.8
109.02939	3.8
111.00877	2.6
111.04535	5.0
113.02431	2.6
117.03445	1.5
119.03451	1.0
119.05006	1.1
121.02912	2.2
123.04523	2.3
125.92522	0.8
127.03972	1.4
132.02145	2.0
133.02962	68.9
134.03722	2.8
135.03609	1.6
135.04538	22.0
136.04890	0.9
137.02470	1.8
145.02983	2.0
147.04608	0.9
149.02461	1.9
149.06070	1.5
151.04005	1.6
155.03511	2.3
161.02452	34.8
163.03960	2.5
164.04779	1.0
173.04552	19.4
177.01929	23.2
177.05473	1.6
179.03531	12.2
179.07108	1.2
184.92656	0.9
191.05612	100.0
192.05896	2.2
193.05078	1.7
194.05664	1.6
197.04521	1.5
201.05379	1.2
203.03430	1.2
209.08282	2.1
215.05586	12.9
219.02989	1.9
221.04617	1.6
228.88843	1.1
233.04456	0.9
234.05219	1.4
239.07025	1.0
249.07549	1.7
257.08051	1.2
265.07080	1.2
291.08707	1.3
303.23511	0.9
307.08325	1.7
321.09628	1.8
323.07690	16.5
337.09280	7.0
351.07208	40.3
351.16373	5.2
352.07608	2.5
373.11356	3.2
374.11563	2.0
376.36118	1.0
387.16452	2.3
521.12689	1.6
551.17725	2.1
629.59625	1.2
707.18256	12.4
708.19128	1.1
725.22198	26.4
726.22650	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	725.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65673	0.7
57.03448	1.2
59.01375	4.8
67.01872	1.6
69.03436	1.6
69.41801	3.4
71.01382	4.1
72.99293	1.1
73.02936	1.7
75.93323	0.8
83.01367	0.9
85.02946	9.3
87.00872	4.3
89.02396	1.0
93.03452	10.0
97.02915	4.1
99.00848	1.0
99.04543	1.0
101.02419	2.2
109.02927	1.7
111.00845	1.3
111.04523	2.7
113.02449	1.6
117.03484	1.0
119.04983	1.6
120.17958	0.7
121.02946	1.0
123.04495	2.1
127.04004	2.1
129.02000	1.0
133.02962	11.2
134.03690	1.6
135.04526	14.6
137.02420	0.8
142.99844	1.6
145.02917	1.8
149.05972	1.0
151.00319	1.0
153.05595	1.1
155.03522	2.0
161.02443	38.1
162.02760	0.9
163.04004	4.1
164.04642	0.7
166.02711	1.9
167.07143	1.6
171.03043	1.2
173.04535	5.9
176.04828	1.0
177.01897	0.8
177.05531	2.6
178.06314	0.9
179.03488	13.9
179.07169	1.1
181.05037	1.8
191.05608	100.0
192.04189	0.7
192.05963	1.9
194.05878	1.0
203.07143	0.9
206.05914	0.7
209.08101	1.4
218.48238	0.6
218.72327	0.8
219.03035	2.1
220.03889	0.8
221.04555	3.0
233.04413	0.7
234.05354	2.2
247.02460	0.8
249.07552	1.7
257.08109	1.7
262.04858	0.9
263.05542	1.3
276.06345	0.9
277.07086	0.9
280.05865	1.2
291.08734	1.0
295.96201	0.8
307.04984	0.8
312.96500	0.8
321.09875	0.9
322.07037	1.6
323.07721	19.9
324.08337	0.8
337.09247	9.2
395.43005	0.8
395.49854	0.8
505.13718	1.6
521.13037	1.6
545.16333	1.0
551.17712	2.0
661.17981	1.1
663.19879	0.9
707.18237	15.9
708.18848	1.5
725.21967	31.7
726.21179	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.7
59.01382	4.9
60.99293	0.5
61.98820	0.6
67.01889	3.9
68.99821	0.4
69.03448	1.1
71.01382	4.7
73.02950	0.6
81.03468	1.1
83.01380	0.5
83.05033	0.8
85.02952	1.7
87.00871	0.6
87.04482	0.2
88.52040	0.2
88.98782	0.3
89.02458	1.2
93.03461	25.6
94.03778	0.9
95.01394	2.1
96.95994	0.8
97.02937	0.4
98.22654	0.6
99.00877	0.4
99.04499	0.3
101.02451	2.3
102.53173	0.2
107.83453	0.3
109.02943	1.1
111.00884	1.3
111.04529	5.0
113.02488	1.1
114.70009	0.2
117.03518	0.3
119.03500	0.6
121.02986	1.1
122.03757	0.4
123.04524	0.9
127.03942	0.3
132.02226	0.3
132.28845	0.3
133.02962	1.5
134.03746	4.5
135.04558	1.7
137.02449	3.9
147.04506	0.3
149.02449	1.6
149.06087	1.3
150.03238	4.1
151.03691	0.4
153.05571	0.4
155.03503	12.8
156.03871	2.5
157.03986	0.8
161.02451	4.0
161.04549	0.4
162.02840	0.2
164.04846	0.5
165.04265	0.4
165.05574	4.7
173.04553	100.0
174.04916	2.8
177.01839	0.4
178.02682	2.2
179.03506	1.8
180.04185	0.3
191.05637	3.0
193.05054	6.9
194.05467	0.4
195.06607	2.1
239.07133	0.4
250.06282	0.3
254.09457	0.3
267.06943	0.3
282.08917	0.8
329.08929	0.3
335.07809	0.3
339.09821	0.3
341.10239	2.7
353.08313	0.3
375.97357	0.2
389.12506	3.1
390.12933	0.3
439.32385	0.3
484.66116	0.3
503.33859	3.3
513.55243	0.3
561.18378	1.3
562.18616	3.6
563.17896	36.5
564.18188	3.8
621.39941	0.4
665.39148	5.7
676.64838	0.3
725.21539	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48703	0.3
57.03432	0.3
58.69580	0.3
59.01373	2.7
60.99287	1.2
62.23548	0.3
67.01890	2.5
69.03453	0.7
69.41253	1.3
71.01395	2.0
71.09448	0.3
73.02943	0.4
81.03439	0.7
83.05043	0.9
85.02960	5.4
87.00876	4.7
89.02443	0.8
92.89727	0.3
93.03461	21.2
94.03826	0.4
98.22652	0.4
99.00908	0.5
99.04558	0.5
101.02454	0.7
105.69331	0.3
109.02898	0.6
111.04530	3.0
113.02480	0.9
116.59317	0.3
117.03481	0.9
119.03486	0.5
119.05014	0.8
119.39140	0.3
123.04577	0.6
127.04044	1.5
129.01950	0.4
134.03731	5.5
134.04678	0.3
134.95226	0.3
136.21274	0.3
137.02403	0.4
145.02995	0.3
145.30026	0.3
149.06033	0.4
154.41736	0.3
155.03520	0.6
163.04001	0.9
171.02975	0.6
173.04546	8.7
173.06003	0.6
175.04027	0.3
191.05617	100.0
192.05991	3.0
193.05058	3.9
200.96649	0.4
203.07224	0.4
224.43898	0.3
257.08243	0.5
337.09235	1.9
367.10330	26.2
368.10611	1.9
551.17865	0.6
564.70172	0.4
653.55225	0.3
665.58807	0.3
725.22955	5.7
726.23608	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.5
60.99301	0.4
67.01887	1.2
69.03458	0.6
70.01031	0.7
71.01381	1.6
73.02951	0.4
81.03477	0.6
83.05020	0.3
85.02946	7.7
87.00867	3.2
88.95410	0.2
89.02438	0.7
93.03455	9.0
94.03821	0.3
95.01418	0.3
96.96014	0.7
97.02930	0.3
99.04505	0.3
101.02434	0.7
109.02931	0.6
111.04520	1.8
117.03434	0.6
119.05019	2.9
121.02934	0.4
123.04495	0.5
127.04012	2.2
133.02960	0.3
135.04549	0.3
137.02448	0.4
143.04958	0.3
145.02945	1.2
146.64281	0.2
147.04509	0.6
151.04010	0.2
155.03467	0.5
161.02448	0.3
163.04002	3.1
171.03008	0.6
171.04520	0.5
173.04544	5.1
173.05991	0.5
191.05602	100.0
192.05959	2.7
197.06133	0.2
203.07127	2.4
227.07057	0.2
229.08733	0.4
239.07076	0.3
251.07202	0.2
257.08148	2.2
268.07324	0.7
268.47800	0.2
277.08722	0.4
283.09781	1.3
295.09668	0.5
309.11163	0.3
327.12411	1.7
337.09247	3.8
338.09717	0.2
353.10004	0.3
545.16608	1.2
546.16827	0.3
551.17627	1.8
651.35645	0.2
725.22882	17.5
726.23279	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	725.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64872	0.3
56.31816	0.2
57.03432	0.4
59.01374	3.5
60.81473	0.2
60.99294	0.5
67.01913	1.6
69.03464	0.6
69.11171	1.8
71.01386	2.1
71.07526	0.2
73.02940	0.4
81.03448	0.7
81.46614	0.3
83.05016	0.3
85.02947	8.1
87.00874	2.9
89.02431	1.0
93.03452	9.7
94.03805	0.6
99.04511	0.5
101.02410	0.8
107.37714	0.3
109.02941	0.9
111.04510	1.8
113.02431	0.4
117.03426	0.4
119.03495	0.5
119.05001	1.2
121.02977	0.4
123.04515	0.9
123.79015	0.3
127.04021	2.1
133.03003	0.4
134.67203	0.2
137.02434	0.3
145.02946	1.3
147.04509	0.3
151.03976	0.4
155.03543	0.6
161.02460	0.5
163.03999	1.1
171.02956	0.7
173.04550	4.5
191.05608	100.0
192.05940	2.6
203.07120	0.9
218.00603	0.2
255.74135	0.3
257.08179	1.3
330.15128	0.3
337.09253	4.8
421.53958	0.3
505.71606	0.3
545.16425	0.6
551.17743	1.3
725.22931	22.6
726.23346	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.0
59.01381	6.2
61.21153	0.8
61.98826	2.7
67.01890	2.3
71.01382	4.3
81.03471	1.2
82.46226	0.8
83.05003	1.1
84.95133	0.9
85.02940	5.6
87.00874	1.3
88.98817	1.5
89.02435	1.3
93.03463	21.1
95.01367	1.5
96.96010	2.5
97.03007	0.8
101.02442	1.9
109.02941	1.2
111.00854	1.0
111.04496	4.4
113.02408	1.3
114.43676	0.8
116.92889	1.1
117.03491	0.9
127.03984	1.4
133.02991	2.0
134.03734	3.0
134.07248	0.8
135.04529	44.4
136.60301	0.7
137.02444	5.3
145.02960	1.5
153.20020	0.7
155.03517	6.3
159.04546	1.8
160.05290	3.7
161.02466	6.6
172.05302	11.4
173.04552	60.6
173.05856	2.2
174.04829	1.8
179.03497	35.8
180.03792	1.5
185.06065	1.1
187.04065	1.9
191.05623	37.6
192.05963	1.0
195.31493	1.0
196.05293	0.9
197.05995	1.5
199.03976	6.3
200.04727	3.6
201.05544	2.0
202.06339	2.5
203.03464	2.5
204.04297	1.0
214.06342	1.7
227.03505	19.6
228.04274	12.6
229.04713	1.0
239.14479	1.0
240.78282	0.9
257.15552	1.2
259.72754	0.9
267.13855	0.9
271.09744	1.8
283.13397	62.8
284.13742	4.6
285.03979	1.6
301.14465	21.2
302.14664	1.6
309.14932	10.4
311.12878	3.6
325.14267	1.1
327.12357	2.1
327.15970	7.7
329.13855	3.7
329.17261	0.9
345.13550	2.4
345.17087	26.8
346.17374	2.0
353.08713	40.4
353.13794	7.5
354.09021	2.8
354.13510	1.1
371.14981	100.0
372.15305	7.7
389.16010	8.4
503.33704	1.8
514.98962	0.8
519.18298	2.1
545.20227	1.0
563.21240	27.5
564.21582	2.9
725.24170	14.9
726.24969	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	725.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69997	0.2
51.55506	0.2
57.03458	0.3
59.01114	0.3
59.01379	3.0
67.01891	1.0
69.03445	0.5
71.01384	1.3
73.02943	0.4
80.47631	0.2
81.03446	0.3
83.05045	0.4
85.02953	7.7
87.00864	1.7
89.02438	1.0
93.03458	7.1
95.01376	0.5
95.05065	0.3
96.96007	0.5
97.02968	0.6
99.00869	0.3
99.04511	0.5
101.02415	0.6
109.02935	0.5
111.00912	0.2
111.04512	1.3
113.02458	0.5
114.47367	0.3
117.03455	0.4
119.05026	2.3
121.02933	0.4
123.04556	0.7
127.04012	1.7
133.02919	0.4
135.04535	0.5
137.02487	0.3
145.02953	0.9
151.03984	0.3
155.03476	1.4
161.02428	0.6
162.08905	0.2
163.03998	2.9
165.93492	0.2
171.02972	0.5
173.04546	4.4
179.03496	0.3
191.05614	100.0
192.05989	2.9
203.07056	0.6
257.08209	1.2
283.09732	0.4
327.12415	0.3
337.09286	16.3
338.09680	0.7
371.11484	0.3
551.17664	0.9
553.61279	0.3
725.23059	9.7
726.23804	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.1
61.98834	2.3
63.02403	1.1
65.00323	13.3
69.23932	4.5
83.01391	6.7
93.03465	1.0
107.01381	19.1
109.02965	2.0
125.02419	3.9
133.02971	0.9
134.03761	1.0
135.04521	53.3
136.04886	1.8
151.00371	83.2
161.02470	1.2
165.01981	1.1
169.01431	1.5
175.00389	3.1
193.74118	0.7
235.61414	0.8
269.04501	0.8
287.05612	100.0
288.06039	5.4
589.26178	1.7
707.87140	1.1
725.31970	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	725.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48550	0.6
52.86352	0.6
55.01890	0.7
57.03426	1.3
58.00563	0.6
59.01380	24.0
67.01888	0.5
69.03455	33.7
71.01384	14.1
73.02921	0.8
81.03465	1.2
85.02953	3.0
87.00877	3.1
89.02444	15.0
93.03471	2.7
95.01383	1.3
95.05024	15.6
95.08659	10.0
97.02925	0.8
98.22642	1.6
99.04520	5.1
101.02434	6.7
107.05029	6.4
109.06586	1.2
111.04549	0.7
113.02450	20.2
114.02766	0.8
119.03510	4.9
119.05000	0.8
125.06063	3.1
131.30557	0.6
133.02916	2.8
133.06606	1.2
135.04547	1.4
143.03439	0.7
151.07635	7.7
152.00775	0.5
161.02431	1.4
161.04498	0.8
163.04060	1.0
164.07123	0.7
169.08701	36.6
170.09000	1.4
173.04573	1.3
177.01994	0.6
179.03470	1.0
179.05647	1.8
191.05600	11.4
195.06725	0.7
213.07674	35.7
214.08095	1.0
215.05614	1.3
278.04593	0.6
293.12384	0.6
306.35358	0.6
337.09308	0.8
349.15045	20.7
350.15356	1.6
351.07193	2.4
375.12930	100.0
376.13330	6.8
480.95917	0.7
525.11829	0.7
707.18494	1.0
725.23370	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	725.412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.0
57.03437	1.7
58.00584	0.5
59.01381	19.5
61.68703	0.4
71.01385	21.0
73.02946	8.6
81.23608	0.5
83.01378	4.7
85.02956	11.5
86.00079	1.1
87.00876	1.1
89.02448	4.7
95.01392	2.2
97.02969	0.6
98.21842	0.8
99.00877	3.7
101.01779	1.0
101.02448	21.0
107.65762	0.4
111.00864	1.5
113.02448	9.7
116.92861	1.3
119.03500	2.1
129.01941	0.5
143.03522	1.1
151.51166	0.5
155.03479	0.9
159.02983	1.5
161.02428	1.4
161.04562	4.1
173.04604	0.9
179.05615	0.6
191.05629	0.7
193.05103	0.9
197.31592	0.4
427.32175	4.6
439.32162	3.0
459.34915	5.9
460.35236	1.1
503.33578	2.1
563.18695	0.9
589.37097	0.6
621.40045	17.7
622.40308	2.8
665.39081	100.0
666.39349	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.9
57.03443	3.8
59.01375	48.7
60.99309	1.7
61.98824	30.6
64.24313	2.3
66.53134	1.5
67.01904	3.0
69.41420	6.2
71.01381	34.6
72.99313	3.2
73.02956	11.0
82.95407	3.4
83.01380	5.1
84.89953	1.8
85.02940	19.0
86.00066	1.6
87.00875	4.4
87.13695	1.9
88.98795	6.1
89.02444	21.3
93.03454	7.6
95.01385	4.8
96.95997	12.6
97.02941	2.5
99.00863	3.7
101.02447	28.2
107.27524	1.7
109.02942	2.8
111.00912	2.1
111.04485	1.7
113.02472	15.0
115.31039	1.5
116.92869	21.3
119.03508	6.0
119.04994	3.3
121.03003	2.0
123.00859	1.7
123.04520	2.6
125.02433	2.4
127.03965	2.2
128.97697	1.7
133.02927	7.6
134.03702	6.2
135.04538	14.1
137.02374	2.9
143.03603	2.7
150.03166	3.7
151.00386	2.7
151.04028	3.5
153.66531	1.9
155.03476	5.0
157.05034	2.1
159.02969	3.4
161.02463	20.4
161.04559	6.4
162.02817	2.0
165.05553	4.3
171.10233	2.6
173.04593	12.8
177.01840	2.4
177.05573	2.2
179.03502	7.0
179.05576	5.0
179.07147	2.0
191.03760	2.7
191.05588	23.6
195.06505	2.8
229.14308	2.1
244.99086	1.9
269.04556	3.5
285.04056	3.6
327.21814	11.4
427.32172	4.6
439.32349	2.4
459.34924	5.9
503.33725	28.4
563.17847	3.0
601.21179	1.9
621.39941	20.9
622.40491	2.0
665.39075	100.0
666.39447	13.1
687.41180	2.8
689.30322	5.3
725.27771	4.3
725.39557	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	725.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09973	0.2
55.01884	2.1
57.03453	1.9
58.00607	0.6
59.01380	20.9
61.98827	1.3
68.99821	0.3
69.03454	0.7
69.24039	1.1
70.43253	0.2
70.53243	0.2
71.01383	21.3
72.99310	0.6
73.02944	10.5
75.00869	0.4
83.01389	5.4
84.15597	0.2
85.02951	13.4
86.00101	1.3
86.03316	0.2
87.00871	1.5
88.08512	0.2
89.01920	0.4
89.02446	5.4
93.03436	0.5
95.01364	2.0
96.96017	0.3
97.02937	1.0
99.00882	3.2
99.92504	0.3
101.02447	23.6
102.59750	0.3
111.00855	1.2
113.02452	10.6
116.92869	3.3
117.92838	0.3
119.03524	1.6
125.02420	0.7
129.01924	0.5
131.03519	0.5
133.02953	0.7
134.03772	0.3
135.04521	0.6
136.01740	0.2
141.01898	0.4
143.03494	0.7
151.03983	0.3
155.03522	0.5
159.03035	1.4
161.02522	1.4
161.04562	4.6
163.04030	0.3
171.10265	0.4
173.04541	0.9
179.03558	0.4
179.05528	0.4
180.01381	0.2
191.05623	2.4
193.05020	2.5
194.05247	0.3
208.13939	0.2
212.32799	0.2
285.04120	0.5
327.21780	2.8
369.27545	0.3
397.31000	0.4
409.31171	0.6
411.32690	0.5
415.14545	1.1
427.32214	4.0
428.32593	0.7
439.32101	3.5
440.32428	0.4
449.88232	0.3
459.34869	6.6
460.34985	0.7
503.33795	4.5
504.34158	0.6
563.18402	0.5
621.40039	17.2
622.40399	2.7
665.39063	100.0
666.39417	15.8
666.50964	0.5
741.01270	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.3
67.01888	22.1
68.99813	16.5
69.03444	2.3
70.99638	0.3
71.01378	2.2
73.02945	0.6
81.58749	0.3
83.01432	0.3
85.02950	1.6
87.00877	0.7
89.02448	1.1
93.03457	3.1
95.01362	0.5
95.05025	100.0
96.05359	2.6
96.95982	0.4
97.02924	0.5
99.04552	0.7
101.02441	34.9
102.02753	0.8
108.02164	0.3
109.02964	0.3
111.00883	9.6
111.04524	1.8
112.01660	1.0
113.02483	0.4
116.92841	0.4
119.03493	0.3
119.05019	3.7
121.02960	11.4
121.06615	0.5
122.03334	0.3
123.04543	2.8
125.02406	0.5
127.04010	67.4
128.04352	1.6
129.01974	0.3
133.02953	0.7
135.04547	0.7
136.05302	0.3
137.02399	0.4
137.06073	0.5
139.00372	26.4
139.04005	17.6
139.05629	0.4
140.00641	0.5
140.04361	0.6
143.03545	0.5
147.04514	2.1
149.02419	1.2
150.15002	0.3
151.04022	0.4
151.07697	0.5
155.03400	0.5
161.02440	1.2
163.04001	2.4
165.05556	7.4
166.05952	0.5
171.03027	2.1
171.04420	0.5
173.04570	3.0
179.03596	0.3
179.05624	0.7
179.07101	3.9
181.05074	0.7
191.05611	15.7
192.05896	0.5
203.07132	0.9
209.04536	3.9
212.66223	0.4
223.06128	3.6
227.09155	0.5
233.06555	0.3
239.07260	0.4
241.07166	47.7
242.07498	2.7
255.08791	1.9
257.08188	1.2
269.04477	0.3
273.09814	4.6
274.10162	0.3
283.09653	0.8
295.09686	0.4
308.25266	0.3
327.12277	1.0
337.09247	0.7
400.79477	0.4
445.53287	0.3
451.32785	1.0
551.17407	1.7
552.17554	0.4
725.22565	2.4
726.22980	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	5.5
57.21395	2.6
59.01106	4.0
59.01373	37.2
59.26458	2.3
67.01893	3.3
68.49681	2.6
69.03441	12.9
71.01379	18.4
71.01725	2.7
73.02947	15.8
81.03432	6.1
83.01382	5.6
85.02950	58.9
87.00875	100.0
90.89048	2.7
93.03468	7.8
95.01389	24.1
97.02934	31.4
99.04523	6.0
101.02428	6.7
103.04005	11.6
109.02937	11.3
111.00877	7.9
113.02460	20.9
115.00363	10.2
125.02443	3.0
127.03998	16.9
133.02989	2.6
135.04468	2.9
139.00417	13.6
145.05054	10.2
155.03482	4.3
157.01433	9.0
173.04564	4.5
175.02466	54.4
181.01448	3.4
191.05621	30.2
199.02478	44.6
217.03568	17.0
226.36722	2.4
303.07101	19.6
321.08188	8.9
322.64700	2.6
324.34821	3.3
345.08081	15.3
353.08643	4.1
364.70911	3.2
387.09323	19.5
396.03812	2.8
405.10577	6.5
449.05072	3.3
563.12378	5.5
578.91589	2.8
623.14581	7.9
624.15582	3.2
653.35419	3.2
709.18671	16.0
727.19073	25.3
728.19690	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	727.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.3
59.01162	0.2
59.01376	2.3
60.99286	0.4
67.01876	0.9
69.03433	0.7
69.54560	0.4
69.54935	0.3
71.01375	1.5
73.02932	0.5
78.95870	0.3
81.03452	0.4
83.01402	0.2
83.05046	0.4
85.02444	0.5
85.02944	6.3
87.00872	2.4
89.02424	0.6
93.02857	0.4
93.03453	7.0
95.05023	0.5
99.04494	0.3
101.02429	0.3
105.03461	0.9
107.05033	0.3
109.02945	1.5
109.92385	0.2
111.04514	1.6
113.02445	0.3
123.04520	0.3
125.02297	0.2
127.04002	1.8
133.02951	6.2
134.03372	0.2
135.04530	3.2
137.02449	0.6
145.02899	0.3
146.99193	0.2
150.03210	0.3
151.03917	0.3
155.03500	0.4
161.02423	1.9
163.04059	0.4
171.02991	0.6
173.04538	4.5
177.01917	1.9
179.02158	0.3
179.03505	2.0
189.01758	0.3
191.05606	100.0
192.05956	2.8
193.06026	0.2
201.01683	0.4
203.07100	0.2
215.05605	3.1
219.75810	0.3
229.03978	0.2
229.08804	0.3
268.38681	0.2
301.78650	0.3
307.08249	0.6
351.07193	8.2
352.07678	0.8
353.08749	11.8
354.09149	0.7
375.06934	2.5
375.12646	0.4
462.81317	0.2
565.11780	0.5
727.13477	0.5
727.24701	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	727.247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.3
61.98824	0.7
70.36229	0.4
71.01382	2.0
73.02937	0.5
81.03454	0.4
82.02708	0.4
83.01363	0.6
85.02944	0.9
89.02448	1.7
89.03971	2.0
93.03479	0.9
96.96004	0.5
99.92587	1.7
101.02429	1.3
105.03466	4.2
109.02956	0.9
111.04556	0.4
113.02433	1.2
116.92869	15.0
117.92895	0.8
119.03503	0.4
123.04562	0.5
133.02960	13.9
134.03497	0.4
135.04529	4.9
136.01674	0.7
136.04900	0.5
147.04466	0.4
149.02477	1.2
149.06090	0.4
151.00371	0.6
151.04073	0.7
153.05565	0.4
161.02448	10.8
161.04523	0.7
162.02832	0.4
173.04527	1.6
175.04073	0.8
176.01109	0.6
177.01924	100.0
178.02306	2.6
179.03523	2.9
179.05582	1.0
181.04964	0.5
181.12128	0.4
191.03465	0.6
191.05577	1.3
199.04002	0.7
203.03430	0.6
205.05066	0.4
210.59668	0.3
217.05019	0.3
219.06567	0.6
221.04509	0.8
225.11395	0.9
234.05260	0.4
249.07632	1.6
284.03241	0.7
285.04041	13.8
286.04391	1.4
310.04794	0.4
323.07693	10.5
331.64386	0.4
355.11691	0.6
385.12769	1.7
403.13992	0.5
463.53021	0.4
489.18454	0.5
504.34305	0.4
547.09619	0.7
547.18170	14.3
548.18579	1.4
549.21851	1.4
565.18793	0.6
575.17896	0.7
609.12439	12.5
610.12927	2.6
679.20508	0.8
709.21167	1.3
727.24402	15.5
728.24750	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	727.247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.3
61.98824	0.7
70.36229	0.4
71.01382	2.0
73.02937	0.5
81.03454	0.4
82.02708	0.4
83.01363	0.6
85.02944	0.9
89.02448	1.7
89.03971	2.0
93.03479	0.9
96.96004	0.5
99.92587	1.7
101.02429	1.3
105.03466	4.2
109.02956	0.9
111.04556	0.4
113.02433	1.2
116.92869	15.0
117.92895	0.8
119.03503	0.4
123.04562	0.5
133.02960	13.9
134.03497	0.4
135.04529	4.9
136.01674	0.7
136.04900	0.5
147.04466	0.4
149.02477	1.2
149.06090	0.4
151.00371	0.6
151.04073	0.7
153.05565	0.4
161.02448	10.8
161.04523	0.7
162.02832	0.4
173.04527	1.6
175.04073	0.8
176.01109	0.6
177.01924	100.0
178.02306	2.6
179.03523	2.9
179.05582	1.0
181.04964	0.5
181.12128	0.4
191.03465	0.6
191.05577	1.3
199.04002	0.7
203.03430	0.6
205.05066	0.4
210.59668	0.3
217.05019	0.3
219.06567	0.6
221.04509	0.8
225.11395	0.9
234.05260	0.4
249.07632	1.6
284.03241	0.7
285.04041	13.8
286.04391	1.4
310.04794	0.4
323.07693	10.5
331.64386	0.4
355.11691	0.6
385.12769	1.7
403.13992	0.5
463.53021	0.4
489.18454	0.5
504.34305	0.4
547.09619	0.7
547.18170	14.3
548.18579	1.4
549.21851	1.4
565.18793	0.6
575.17896	0.7
609.12439	12.5
610.12927	2.6
679.20508	0.8
709.21167	1.3
727.24402	15.5
728.24750	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	727.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.4
58.00593	1.4
59.01377	100.0
61.98829	5.0
65.03960	1.3
68.99815	21.8
69.03455	6.9
71.01379	63.9
72.99293	2.0
73.02928	5.2
83.01389	3.3
85.02938	15.0
87.00879	3.4
89.02441	67.9
91.01901	2.5
93.03442	9.5
95.01389	5.3
95.04993	0.8
96.96018	3.0
97.02974	0.9
98.22684	1.9
99.00865	1.3
100.44125	0.8
101.02441	52.8
103.52027	0.7
107.05020	9.4
113.02449	25.3
116.92892	0.9
119.01426	1.3
119.03500	27.8
120.02177	1.5
121.02952	14.8
121.06599	3.1
129.01907	1.7
131.03534	2.8
133.02986	1.3
135.04515	3.6
136.01703	0.9
143.03497	5.4
145.06590	1.8
147.04530	5.5
149.02458	1.2
149.04546	2.5
151.03999	3.7
153.05589	9.0
159.03004	1.0
161.02444	1.4
161.04562	9.2
163.04018	2.1
163.07661	1.8
165.01924	2.2
171.04518	3.0
173.04651	1.4
173.06036	5.3
177.04073	1.5
179.03500	14.3
179.05598	12.2
179.07133	1.4
187.07639	1.6
189.05569	3.1
191.05539	1.3
191.07097	1.6
199.03877	0.8
205.08707	2.3
207.06674	1.3
217.05103	2.6
221.08170	1.3
231.06595	7.4
235.06059	1.2
249.07651	3.8
267.08884	0.9
274.10025	0.8
285.04044	1.8
309.09738	2.1
315.18216	2.6
341.08734	17.8
342.08777	1.1
411.13092	3.7
429.13892	5.6
463.23389	13.0
481.23566	0.9
495.22369	78.1
496.22586	4.3
504.05295	0.9
515.22546	1.1
529.24445	1.4
529.35260	1.6
533.23969	2.0
547.25360	3.4
565.26691	16.8
689.38818	0.9
709.31543	0.9
727.39130	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	17.3
60.92404	0.6
61.98823	1.0
65.00320	0.8
65.03970	1.9
66.95993	0.6
67.01893	0.8
68.99818	1.2
69.03458	17.3
69.04926	0.7
69.10155	4.2
69.59656	0.6
71.01383	11.1
73.02953	1.2
73.40323	0.6
83.01386	1.2
85.02949	3.3
87.00883	0.9
89.02441	10.3
91.01897	14.9
93.03465	4.9
95.01392	1.2
95.05077	1.0
97.02950	19.9
101.02447	6.6
105.03482	2.0
105.07115	0.8
107.05048	1.2
108.02148	1.0
109.02953	15.3
111.00924	1.2
113.02431	5.8
117.03471	0.9
119.03509	2.8
119.05005	0.8
121.02949	3.3
121.06608	1.8
121.32220	0.6
123.04517	6.4
125.02496	0.8
131.05061	1.3
132.02170	1.5
133.02965	29.9
134.03752	3.6
135.00887	39.2
135.04526	26.8
137.02469	2.0
140.33876	0.6
141.01945	1.4
147.04500	0.9
149.02419	4.8
149.06088	11.0
151.04041	0.8
153.01942	37.1
154.02313	1.2
155.03511	1.0
160.01657	1.9
161.02449	100.0
162.02753	3.3
163.04018	1.7
165.05560	0.8
167.07149	1.3
173.38687	0.6
175.04015	3.2
177.01955	1.6
177.05602	5.2
178.02623	1.0
179.03494	23.8
179.05562	1.8
191.03545	0.7
191.05513	0.9
193.05074	14.2
203.03499	1.3
209.08223	0.9
221.04483	5.5
225.11310	0.9
243.06604	1.4
246.52715	0.7
251.05469	1.2
263.05704	0.9
280.05896	1.1
281.06683	2.2
297.06256	1.0
312.38980	0.6
322.06845	1.2
323.07712	46.0
324.08115	2.0
341.08887	1.4
355.10352	5.0
373.11386	16.7
405.11404	0.8
420.88492	0.7
459.09320	29.3
460.09534	3.0
476.09515	1.2
485.12903	1.6
497.13388	1.1
567.14923	66.0
568.15332	7.0
609.22083	0.7
610.96747	0.9
621.14899	3.3
693.27637	1.0
711.22125	0.9
729.22400	34.0
730.22974	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	729.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.8
57.03439	1.5
57.25657	0.7
59.01378	46.3
61.98540	0.9
61.98824	14.1
67.01862	1.9
68.99774	0.9
69.03453	39.8
70.51193	0.8
71.01378	24.3
72.99268	0.8
73.02945	7.5
79.01881	0.8
83.01369	1.9
83.05024	0.8
85.02951	10.9
87.00864	1.9
89.02440	22.3
89.05882	0.7
93.03449	9.9
95.01378	2.7
95.05003	1.6
97.02948	73.9
98.03227	1.6
101.02436	15.6
105.03434	2.4
106.04195	1.0
107.05032	1.0
109.02950	1.8
111.04498	4.1
113.01709	1.2
113.02446	17.1
116.92815	0.8
119.03515	8.3
119.04994	1.6
120.03768	0.8
121.02966	6.4
121.06581	3.8
123.04526	13.2
125.02393	1.5
131.05017	0.9
133.02953	4.4
134.03683	1.9
135.04512	11.2
137.02408	2.7
137.06100	0.8
139.04025	7.1
141.01941	5.8
143.03525	2.0
144.11519	0.7
145.06432	0.7
147.04454	2.6
149.06087	19.0
151.03952	1.5
161.02441	12.0
161.04515	3.1
161.05864	0.7
163.03972	1.1
163.07610	1.0
165.05580	3.4
167.07179	4.6
169.05019	0.9
177.05589	1.6
178.02525	1.0
179.03444	6.0
179.05562	1.7
181.05113	0.8
189.05600	1.5
191.05602	1.3
191.07144	1.6
192.44359	0.7
193.03273	1.1
193.05048	21.3
193.08603	1.1
221.04497	1.8
225.11340	1.1
229.07146	0.7
230.91531	0.8
251.05598	1.2
251.09256	1.0
281.06552	2.6
285.03860	0.7
295.08130	1.8
296.90082	0.8
308.72144	0.7
341.08578	2.7
373.07352	1.0
373.11395	12.8
374.11945	0.9
403.48761	0.8
453.14038	8.2
454.13910	0.9
475.14365	3.3
497.12827	2.7
497.20145	3.0
505.20331	1.0
517.15613	0.8
523.18042	4.0
537.21710	0.7
549.16107	1.5
567.24072	1.3
685.24396	2.7
693.33441	5.8
729.22205	100.0
730.22797	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	729.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.6
67.01891	0.9
68.99830	2.3
69.03455	1.1
69.12919	2.9
69.13321	0.7
71.01379	3.0
73.02962	0.5
75.95542	0.5
77.03957	0.8
83.05014	0.7
85.02947	11.2
85.32802	0.5
87.00878	3.6
89.02451	1.8
89.61210	0.4
91.54967	0.5
93.03463	12.8
95.05039	0.6
99.00867	0.5
99.04535	0.8
101.02454	4.5
103.98145	0.5
108.02190	0.8
109.02958	2.7
111.00863	0.9
111.04521	2.3
113.02473	1.3
113.04621	0.5
121.02955	3.6
127.04015	2.6
133.02933	0.8
135.04506	0.6
136.01665	0.7
137.02451	10.9
144.29419	0.5
148.05363	0.6
152.01241	0.9
153.01950	0.7
155.03490	1.0
159.04533	6.5
161.02428	3.6
165.01932	1.6
173.04584	4.0
179.03448	0.9
191.05623	100.0
192.06017	2.4
201.05595	0.7
203.03490	1.0
209.04535	3.4
209.06328	0.6
229.05096	1.7
229.08687	0.9
243.06619	0.8
255.02943	0.9
268.45367	0.5
281.08289	0.8
313.10587	0.7
327.07199	0.6
377.08871	0.5
421.11667	0.5
493.17072	1.0
512.25482	0.5
519.15265	2.9
591.19299	3.5
597.55542	0.5
606.94415	0.6
711.21252	9.2
712.21545	0.8
729.22223	26.0
730.22986	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	729.225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.8
62.41127	0.2
68.36221	0.2
69.46864	0.7
70.19806	0.2
70.30039	0.2
71.01376	0.6
73.02942	0.2
74.28006	0.2
80.24894	0.2
85.02953	5.8
86.42036	0.2
87.00867	1.4
93.03458	2.6
99.04501	0.2
109.02934	0.5
110.88040	0.2
111.04513	0.8
127.04034	1.6
127.68533	0.2
133.02962	0.9
134.03740	0.6
135.04539	3.2
151.07664	0.4
161.02428	2.8
162.02942	0.2
171.02989	0.4
173.04533	1.4
179.03490	3.1
189.01721	0.5
191.05617	100.0
192.05949	2.9
193.06075	0.5
195.06693	0.4
201.01712	1.4
295.80762	0.2
351.06903	0.3
353.08768	15.8
354.09183	1.0
372.12186	0.2
375.06979	11.6
376.07184	1.0
396.53003	0.2
567.13190	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.6
67.01891	0.9
68.99830	2.3
69.03455	1.1
69.12919	2.9
69.13321	0.7
71.01379	3.0
73.02962	0.5
75.95542	0.5
77.03957	0.8
83.05014	0.7
85.02947	11.2
85.32802	0.5
87.00878	3.6
89.02451	1.8
89.61210	0.4
91.54967	0.5
93.03463	12.8
95.05039	0.6
99.00867	0.5
99.04535	0.8
101.02454	4.5
103.98145	0.5
108.02190	0.8
109.02958	2.7
111.00863	0.9
111.04521	2.3
113.02473	1.3
113.04621	0.5
121.02955	3.6
127.04015	2.6
133.02933	0.8
135.04506	0.6
136.01665	0.7
137.02451	10.9
144.29419	0.5
148.05363	0.6
152.01241	0.9
153.01950	0.7
155.03490	1.0
159.04533	6.5
161.02428	3.6
165.01932	1.6
173.04584	4.0
179.03448	0.9
191.05623	100.0
192.06017	2.4
201.05595	0.7
203.03490	1.0
209.04535	3.4
209.06328	0.6
229.05096	1.7
229.08687	0.9
243.06619	0.8
255.02943	0.9
268.45367	0.5
281.08289	0.8
313.10587	0.7
327.07199	0.6
377.08871	0.5
421.11667	0.5
493.17072	1.0
512.25482	0.5
519.15265	2.9
591.19299	3.5
597.55542	0.5
606.94415	0.6
711.21252	9.2
712.21545	0.8
729.22223	26.0
730.22986	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	729.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00573	1.5
59.01379	57.7
65.03960	2.1
67.01885	3.5
68.99808	4.7
69.03456	59.2
69.41272	6.9
71.01380	40.2
73.02923	1.8
78.45661	1.3
83.01366	2.4
85.02528	1.4
85.02952	10.5
87.00858	4.1
89.02445	26.5
91.01904	16.0
93.03458	15.3
95.01366	5.3
95.05025	1.4
97.02952	62.9
101.02443	17.0
105.03452	5.5
106.04227	1.3
107.05029	2.0
107.24673	1.4
109.02958	14.8
111.00851	1.7
113.02439	15.2
119.03502	10.5
119.04944	1.9
121.02927	10.4
121.06563	5.3
123.04533	18.1
131.03474	1.6
131.05093	1.8
131.89981	1.2
132.02148	1.7
133.02945	30.5
134.03725	6.0
135.00887	37.4
135.04527	30.7
137.02458	3.6
141.01939	3.2
147.04514	3.6
149.02441	13.3
149.06073	28.1
153.01939	35.2
155.03516	2.3
161.02443	95.4
162.02731	2.4
163.03862	1.5
167.07100	2.8
175.04140	3.1
177.05550	5.7
179.02008	2.0
179.03471	21.4
179.05646	3.4
189.05496	2.3
191.03506	2.6
191.05464	1.4
193.03258	2.0
193.05058	39.9
194.05336	2.0
203.03561	2.2
221.04520	5.0
251.05746	1.5
281.06677	2.5
323.07712	42.8
324.07816	2.7
355.10248	16.8
372.39609	1.4
373.11349	55.9
374.11826	1.5
459.03247	2.1
459.09311	31.3
475.15002	1.5
497.13083	3.2
539.52740	1.8
549.16046	3.5
567.14880	61.3
568.15601	7.6
621.14270	2.4
708.27802	1.6
729.22430	100.0
730.22766	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
59.01377	47.6
61.98829	13.5
65.01243	0.4
67.01877	1.9
68.99811	4.1
69.03452	36.9
69.41179	0.5
69.41460	2.5
70.03791	0.6
71.01381	24.0
72.19650	0.5
72.99300	1.1
73.02936	1.4
73.29413	0.5
79.01842	0.7
82.93514	0.5
83.01371	1.6
85.02945	5.6
87.00877	5.0
89.02441	24.8
93.03446	8.3
94.86492	0.5
95.01376	2.9
95.05003	1.7
97.02945	55.5
98.03260	1.0
99.00889	0.5
101.02432	12.5
101.93677	0.5
103.05560	0.5
105.03454	2.9
105.07094	0.6
106.04208	0.7
107.05061	0.5
108.02137	1.1
109.02885	0.6
111.00874	1.9
111.04456	0.5
113.02439	8.7
117.19812	0.5
119.03502	9.9
119.04978	2.2
121.02951	6.0
121.06567	3.5
123.00901	3.4
123.04518	19.1
125.02394	1.0
129.01926	0.6
131.03516	1.0
131.05006	1.9
133.02927	2.0
134.03716	1.6
135.04509	2.3
137.02408	2.0
141.01953	4.4
143.03493	1.0
147.04475	2.0
149.02434	6.1
149.04387	0.9
149.04776	0.7
149.06073	17.3
150.06348	0.6
151.03978	0.9
161.02448	4.8
161.04547	2.1
161.05888	0.8
163.03960	1.8
165.01883	1.0
165.05566	1.3
167.03484	0.8
167.07150	2.6
175.03941	1.3
177.05470	0.7
179.03485	1.7
179.05598	6.0
183.02983	5.1
191.03612	0.9
191.05576	2.2
193.05040	24.9
194.05446	0.7
195.06685	0.5
213.03932	0.5
227.12766	0.6
235.06049	0.7
253.07112	0.7
265.07327	0.7
304.68692	0.5
323.07733	1.2
329.10339	1.6
355.10339	5.3
373.11380	29.9
374.11670	1.5
415.12393	2.1
443.11453	0.6
453.14005	1.0
475.14288	0.7
497.13028	1.0
506.34293	0.7
549.17444	0.5
729.22418	100.0
730.22668	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	729.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02343	1.3
53.58638	1.3
55.01849	1.4
56.75957	1.1
59.01378	77.7
67.01849	3.9
68.99785	3.1
69.03456	59.7
71.01379	38.8
72.99278	1.5
73.02915	2.5
85.02956	6.4
87.00881	7.1
89.02447	41.0
93.02942	1.0
93.03466	17.1
95.01377	6.3
95.05017	2.2
97.02952	75.9
98.21815	4.3
101.02437	23.4
105.03410	4.8
107.05009	1.6
109.02899	1.6
111.00807	2.2
113.02444	14.9
119.03503	15.8
119.04966	2.8
121.02952	6.1
121.06539	4.0
123.00838	2.2
123.03630	1.5
123.04514	20.1
129.01897	1.2
131.04990	1.3
133.02904	7.2
134.03693	2.4
135.04564	7.2
137.02344	3.6
141.01862	4.4
143.03465	2.5
147.04471	2.5
149.02367	4.7
149.04825	1.6
149.06071	25.6
149.36765	1.1
153.63896	1.3
159.04369	1.3
161.02457	25.1
161.04462	2.0
163.03926	4.0
165.01952	6.6
167.07011	4.8
176.50487	1.2
177.05476	1.5
179.03479	6.4
179.05719	8.0
179.07043	2.0
183.02872	2.4
189.05475	1.6
191.03398	2.8
191.05505	3.1
193.05069	34.8
194.05475	1.7
205.05190	1.2
209.08034	1.5
221.04375	1.9
249.35355	1.2
355.10242	6.1
370.22275	1.4
373.11386	92.5
374.11368	4.7
497.12936	2.8
550.50873	1.2
658.68396	1.4
729.21796	100.0
730.22449	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	729.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85580	1.0
59.01380	64.4
61.98825	8.0
67.01870	3.5
68.99806	2.4
69.03457	52.0
69.27261	3.4
69.27659	2.3
70.03775	1.3
71.01379	35.1
73.02912	2.2
79.01883	1.8
83.01389	2.3
85.02956	7.9
87.00874	5.9
87.04491	1.2
89.02444	40.4
92.97137	1.0
93.03461	12.8
95.01384	5.9
95.05006	1.8
97.02950	94.8
98.03254	0.9
99.00829	1.1
99.21099	1.0
101.02448	20.5
105.03413	4.8
108.02122	1.5
109.02956	1.9
109.60274	1.0
111.00810	1.4
111.04501	1.3
113.02459	15.1
119.02761	1.3
119.03506	13.8
119.04958	2.2
121.02962	7.5
121.06534	3.3
123.00825	3.8
123.04530	24.2
125.02412	1.5
131.03439	1.5
131.04996	1.8
133.02908	4.0
134.03738	1.1
135.04532	8.3
137.02412	4.6
141.01950	9.2
143.03439	1.5
146.03780	5.8
147.04506	3.2
149.02399	5.5
149.06091	23.6
161.02455	14.1
161.04517	3.3
161.06004	3.3
163.03926	4.8
164.04726	3.7
165.01926	8.5
165.05557	1.6
167.03456	1.8
167.07153	6.0
177.05484	1.3
179.03415	4.9
179.05540	9.1
179.07066	11.3
181.12311	2.2
183.03004	6.9
189.05461	1.7
191.03452	2.3
193.05072	29.5
194.05312	1.4
207.06511	3.2
217.05057	2.4
221.67194	1.0
225.11354	7.0
235.06107	5.1
249.11197	1.6
263.12677	1.5
281.06592	2.6
291.12396	2.6
309.13425	1.6
351.95520	1.1
355.10104	3.8
369.15247	3.7
373.11386	59.0
374.11639	2.4
385.11163	4.9
415.12183	4.1
453.13828	3.2
497.12738	2.6
549.15588	1.5
549.23407	19.0
567.18921	2.0
729.21948	100.0
730.22632	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	729.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00573	1.5
59.01379	57.7
65.03960	2.1
67.01885	3.5
68.99808	4.7
69.03456	59.2
69.41272	6.9
71.01380	40.2
73.02923	1.8
78.45661	1.3
83.01366	2.4
85.02528	1.4
85.02952	10.5
87.00858	4.1
89.02445	26.5
91.01904	16.0
93.03458	15.3
95.01366	5.3
95.05025	1.4
97.02952	62.9
101.02443	17.0
105.03452	5.5
106.04227	1.3
107.05029	2.0
107.24673	1.4
109.02958	14.8
111.00851	1.7
113.02439	15.2
119.03502	10.5
119.04944	1.9
121.02927	10.4
121.06563	5.3
123.04533	18.1
131.03474	1.6
131.05093	1.8
131.89981	1.2
132.02148	1.7
133.02945	30.5
134.03725	6.0
135.00887	37.4
135.04527	30.7
137.02458	3.6
141.01939	3.2
147.04514	3.6
149.02441	13.3
149.06073	28.1
153.01939	35.2
155.03516	2.3
161.02443	95.4
162.02731	2.4
163.03862	1.5
167.07100	2.8
175.04140	3.1
177.05550	5.7
179.02008	2.0
179.03471	21.4
179.05646	3.4
189.05496	2.3
191.03506	2.6
191.05464	1.4
193.03258	2.0
193.05058	39.9
194.05336	2.0
203.03561	2.2
221.04520	5.0
251.05746	1.5
281.06677	2.5
323.07712	42.8
324.07816	2.7
355.10248	16.8
372.39609	1.4
373.11349	55.9
374.11826	1.5
459.03247	2.1
459.09311	31.3
475.15002	1.5
497.13083	3.2
539.52740	1.8
549.16046	3.5
567.14880	61.3
568.15601	7.6
621.14270	2.4
708.27802	1.6
729.22430	100.0
730.22766	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34146	0.4
59.01383	6.1
61.98825	6.4
68.99810	0.8
69.03458	1.2
69.17150	2.9
71.01379	5.4
73.02948	1.0
80.65405	0.4
83.01377	0.5
85.02940	1.5
87.00880	0.6
88.98823	0.5
89.02444	2.3
93.03468	1.8
95.01360	0.8
95.05054	0.6
97.02960	1.7
99.00927	0.7
101.02434	2.7
105.03453	1.0
107.05054	1.0
109.02966	0.9
113.02465	1.5
116.92867	0.9
117.03499	1.1
119.03477	1.3
121.02972	1.2
122.03751	1.3
123.04546	1.5
127.04008	0.7
132.02190	2.5
133.02957	36.9
134.03787	5.4
135.04529	32.6
136.01660	0.6
136.04915	0.6
137.02481	2.5
140.04231	0.5
146.03767	1.1
147.04564	1.6
148.05325	1.2
149.02397	3.3
149.06091	3.3
150.03221	7.5
151.04070	3.2
153.05588	1.4
159.04483	0.7
160.01657	1.4
161.02446	100.0
162.02901	3.0
163.03998	1.7
164.04810	1.8
165.01942	3.4
165.05556	6.9
165.06833	0.8
166.02673	0.7
173.04549	1.1
175.04016	2.2
176.04761	2.4
177.01958	3.8
177.05562	8.0
178.02568	2.5
179.03500	30.6
179.07133	1.9
180.04309	5.4
181.05135	1.1
181.12405	0.6
191.05579	1.3
191.07124	1.1
192.04211	0.5
193.05034	3.1
194.05833	5.8
195.06631	6.8
203.03481	1.5
209.08159	3.3
219.06541	0.5
220.03738	0.7
221.04527	8.2
225.11330	1.9
233.04657	0.6
235.06084	1.5
251.05571	2.6
253.74919	0.4
263.05435	0.8
271.06082	0.7
280.05762	1.1
281.06625	4.5
295.08301	1.6
307.08554	0.5
323.07709	22.0
337.09415	2.4
340.07971	1.0
341.08633	2.0
357.13599	0.6
369.09982	0.6
373.11526	0.8
405.17661	1.0
435.14276	1.6
443.12198	0.8
465.15610	0.6
502.14548	1.8
503.15247	0.7
519.15118	34.8
520.15308	1.9
533.16357	2.3
549.17694	1.0
557.16718	2.0
566.18396	0.5
567.20947	6.3
609.22168	0.6
681.21558	1.3
693.21814	1.1
693.33337	0.9
711.23279	3.0
729.23737	29.9
730.24353	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	729.24
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15025	0.5
52.20941	0.5
57.03433	0.9
59.01380	11.5
61.98833	11.9
66.44224	0.5
68.99827	0.6
69.03457	4.1
69.08607	1.3
69.09008	1.5
71.01385	7.4
73.02956	1.5
78.95871	0.8
81.03467	1.2
82.95443	0.9
83.01379	0.9
85.02979	2.5
87.00871	0.9
88.98801	2.0
89.02456	4.7
92.31713	0.5
93.03454	1.0
95.01383	1.4
95.05039	0.6
96.96011	1.6
97.01673	0.5
97.02937	0.7
98.21804	0.9
100.03246	0.5
101.02438	4.4
103.01534	0.6
108.02181	1.3
109.02926	1.3
111.00877	0.5
113.02453	2.7
116.92808	0.8
119.03506	1.6
119.05031	0.8
121.02963	1.9
121.06614	0.8
122.02498	0.5
123.04507	1.6
125.02435	1.2
133.02931	2.5
133.06598	2.0
134.03778	1.1
135.04501	3.5
136.71114	0.6
137.02414	0.9
145.02951	1.9
146.03714	1.1
147.04524	2.9
148.05319	3.9
149.06137	0.9
150.03241	0.7
150.06839	1.4
150.42851	0.6
151.03992	1.3
151.07661	2.0
155.03525	0.8
159.04468	1.1
160.05281	1.6
161.02451	5.5
161.04507	0.7
162.03157	0.5
162.06787	0.5
163.07597	0.6
165.05559	0.7
173.02400	1.3
173.04564	1.3
174.01859	0.7
174.03221	5.0
176.04802	1.4
177.05617	2.7
179.03520	2.4
179.05617	1.0
180.04272	0.9
187.04024	0.6
188.04797	1.3
191.03496	2.7
191.05615	1.2
191.07115	3.2
192.04181	0.7
193.05002	0.7
195.06586	0.9
195.08229	1.0
197.06117	0.7
202.02705	1.7
206.05739	1.2
207.08247	0.9
207.10202	0.7
209.06084	1.2
211.07603	1.0
215.03491	1.6
216.04152	0.6
220.03749	0.7
221.06215	1.2
222.06842	1.0
223.07635	1.9
225.11209	0.6
229.04993	1.3
233.06223	1.1
235.05878	1.1
235.07703	1.7
237.05602	1.5
238.04755	0.9
239.07098	3.3
249.05733	2.7
250.06390	2.9
251.07129	9.3
253.08899	0.7
261.05573	0.6
262.06311	2.3
263.07111	5.1
264.04959	0.6
264.07904	3.4
265.05054	1.7
265.08688	1.8
266.05841	1.0
267.06631	21.0
268.07263	1.4
269.04437	1.4
277.05154	1.2
277.08401	0.6
278.05682	1.0
279.06662	14.7
279.10175	2.0
280.06976	0.9
281.08194	0.8
282.08997	9.6
283.09787	0.8
285.04105	1.3
292.49088	0.5
293.04623	1.8
293.08212	1.5
294.05362	5.9
294.08987	5.8
295.06140	4.9
295.09253	0.9
297.11246	3.0
305.04510	0.7
306.05530	0.7
307.06039	3.8
308.06827	3.0
309.07770	5.7
310.08444	2.7
311.05615	1.4
320.07132	0.7
321.07651	1.0
322.08441	5.2
323.05569	15.1
323.09244	7.5
326.07950	6.0
327.12454	1.0
335.22205	0.8
338.07956	17.1
339.08627	1.1
341.10300	41.9
342.10562	1.9
353.10300	100.0
354.10571	3.3
357.11920	1.5
371.11374	18.7
372.11523	0.8
375.12918	1.3
387.14462	0.6
426.70886	0.6
487.17136	0.6
651.37109	2.0
668.38232	0.6
669.40631	10.6
699.23004	2.2
711.23297	1.2
729.24207	2.5
729.39423	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	730.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80800	1.0
61.98817	2.4
63.73555	1.0
70.06903	1.4
70.07237	2.9
140.99382	1.2
159.44643	1.2
515.40131	1.4
526.14813	1.5
601.19495	3.4
614.20276	2.0
687.23053	2.5
730.23621	100.0
731.23914	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	730.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24841	27.5
57.40084	25.1
61.98819	100.0
81.87550	25.4
96.95999	36.0
131.03554	32.7
183.72633	28.2
228.82393	31.3
556.67444	29.3
760.21277	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.4
67.01852	1.2
68.99812	1.8
69.03449	4.7
69.29305	5.3
71.01373	6.5
78.89817	0.9
85.02931	1.8
87.00867	2.9
89.02441	3.2
93.03451	3.9
95.05022	2.5
96.96029	1.6
97.02921	2.4
98.21940	2.1
100.80156	1.2
101.02418	4.6
107.05004	4.1
108.02141	2.4
108.90565	1.1
109.02888	1.4
113.02431	1.9
113.91273	1.0
119.04977	1.1
121.02886	1.6
123.04456	2.2
128.47400	1.0
133.02942	4.6
133.06599	1.3
134.03740	64.7
135.04440	4.8
136.01662	82.0
137.02365	1.8
149.04863	2.4
149.06078	43.1
150.03197	1.1
150.06483	1.5
151.04007	100.0
152.04356	3.1
155.03397	1.1
161.02452	5.0
163.03975	1.8
167.77005	1.0
173.04514	2.1
177.01997	1.9
178.02705	3.6
179.03511	6.3
181.05176	1.1
191.05600	13.0
192.05879	2.8
192.80095	1.1
193.04951	12.4
195.06572	4.2
211.06151	5.6
213.07758	3.0
215.05521	1.8
221.08147	1.2
226.24864	1.1
229.83296	1.0
241.07054	1.6
303.32593	1.2
341.08734	2.3
351.07318	2.5
357.11856	1.9
373.11319	1.9
375.13065	2.5
569.18585	1.5
713.23053	1.5
731.23969	63.5
732.24298	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	731.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.4
67.01852	1.2
68.99812	1.8
69.03449	4.7
69.29305	5.3
71.01373	6.5
78.89817	0.9
85.02931	1.8
87.00867	2.9
89.02441	3.2
93.03451	3.9
95.05022	2.5
96.96029	1.6
97.02921	2.4
98.21940	2.1
100.80156	1.2
101.02418	4.6
107.05004	4.1
108.02141	2.4
108.90565	1.1
109.02888	1.4
113.02431	1.9
113.91273	1.0
119.04977	1.1
121.02886	1.6
123.04456	2.2
128.47400	1.0
133.02942	4.6
133.06599	1.3
134.03740	64.7
135.04440	4.8
136.01662	82.0
137.02365	1.8
149.04863	2.4
149.06078	43.1
150.03197	1.1
150.06483	1.5
151.04007	100.0
152.04356	3.1
155.03397	1.1
161.02452	5.0
163.03975	1.8
167.77005	1.0
173.04514	2.1
177.01997	1.9
178.02705	3.6
179.03511	6.3
181.05176	1.1
191.05600	13.0
192.05879	2.8
192.80095	1.1
193.04951	12.4
195.06572	4.2
211.06151	5.6
213.07758	3.0
215.05521	1.8
221.08147	1.2
226.24864	1.1
229.83296	1.0
241.07054	1.6
303.32593	1.2
341.08734	2.3
351.07318	2.5
357.11856	1.9
373.11319	1.9
375.13065	2.5
569.18585	1.5
713.23053	1.5
731.23969	63.5
732.24298	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	731.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50216	1.4
52.50376	1.1
58.86604	1.1
59.01379	100.0
61.98820	1.4
69.11214	7.9
71.44224	1.2
79.97459	1.3
123.47391	1.3
130.20920	1.2
145.49258	1.2
285.04016	2.0
289.38171	1.3
354.52951	1.2
438.09344	1.6
451.13770	1.6
496.13754	2.6
510.15433	2.3
511.16043	1.7
539.15839	6.3
553.17621	6.4
554.17853	2.7
583.17145	1.5
585.19604	1.7
597.19843	3.3
598.20782	11.5
598.29431	2.1
648.73090	1.3
654.89716	1.5
671.23669	11.2
672.22583	1.6
731.25690	74.9
732.26044	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	731.2564
Annotation	Ilicifoline
Peak:m/z	Relative Intensity
56.20862	1.4
59.01378	100.0
60.01702	1.7
61.30001	1.6
61.98818	5.7
72.47410	1.5
78.95891	2.2
99.92561	3.0
131.75348	1.5
140.70885	1.5
153.94238	1.7
171.68214	1.8
187.62674	1.5
301.07391	2.0
464.23160	1.8
496.13797	3.4
511.16080	2.7
539.15735	5.3
553.17316	5.0
585.19922	4.0
597.20245	2.4
598.20593	9.5
599.21259	2.2
638.42389	1.8
671.23633	12.0
672.23706	2.1
731.25757	83.9
732.26117	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	732.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66608	0.2
59.01374	1.2
61.98830	100.0
62.98534	0.3
66.85509	0.2
69.54941	0.4
69.55306	0.7
69.76913	0.2
70.90408	0.2
71.01391	0.7
73.02977	0.3
80.20061	0.2
85.02964	0.3
89.02445	0.4
98.22723	0.2
101.02451	0.5
101.69405	0.2
107.05003	0.2
131.03516	0.3
133.02957	2.3
134.03749	1.6
135.04533	7.4
151.00334	0.3
151.75392	0.2
153.02547	0.2
161.02448	6.2
162.02905	0.3
179.03493	4.2
191.05670	0.5
320.37222	0.2
372.33478	0.2
375.21777	0.6
537.27063	2.3
621.85754	0.2
669.31305	31.9
670.31659	4.5
670.42517	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39422	0.4
59.01386	1.4
61.98829	100.0
66.81364	0.3
69.28652	0.3
69.36796	1.5
71.01389	1.3
78.31336	0.3
78.46741	0.3
82.95435	0.4
85.02946	0.9
90.95203	0.3
99.00895	0.5
101.02457	1.0
110.74728	0.4
115.03957	0.3
125.02457	0.4
126.62186	0.3
133.02982	2.5
134.03746	2.0
135.04535	9.1
152.99597	0.4
161.02452	13.5
162.02769	0.4
164.63548	0.4
179.03490	6.6
180.03844	0.6
191.05690	0.7
285.03815	0.4
287.38791	0.4
375.21808	1.0
537.26855	2.7
597.28625	0.4
669.31256	45.3
670.31512	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	732.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.4
61.98830	100.0
69.03464	0.2
69.61521	0.4
69.61909	0.4
71.01388	1.1
73.02954	0.3
79.43795	0.1
81.03468	0.4
85.02960	0.5
89.02459	0.7
95.32595	0.2
96.96036	0.7
101.02467	0.7
102.02848	0.2
113.02507	0.3
119.03458	0.2
121.02957	0.3
125.02461	1.0
133.02983	0.2
133.53777	0.2
135.04550	0.5
137.02435	0.2
148.84784	0.2
149.02449	0.4
150.03244	0.9
151.04070	0.3
161.02473	0.7
161.04594	0.3
161.06044	0.2
165.05602	0.7
173.04655	0.2
179.03514	0.3
179.05664	0.3
180.04338	0.3
191.05653	0.7
195.06689	0.8
209.08165	0.3
221.04573	0.2
323.55688	0.2
343.12131	0.2
500.75131	0.2
523.20093	0.2
548.46893	0.2
669.33551	0.2
671.33948	0.4
672.34552	0.9
685.24927	0.3
732.26129	0.5
733.24725	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
61.98831	100.0
63.99257	0.1
66.63494	0.1
69.03443	0.1
71.01389	0.3
73.02944	0.1
73.06176	0.1
82.95425	0.2
83.01414	0.1
85.02985	0.2
87.00905	0.1
88.98847	0.1
89.02464	0.4
93.03480	0.3
96.96030	0.3
99.00878	0.1
101.02457	0.3
119.03462	0.1
120.05741	0.1
123.04567	0.1
133.02968	0.5
135.04561	0.7
136.01715	0.2
137.02495	0.2
147.04620	0.1
149.06100	0.1
150.03299	0.2
151.04073	0.4
155.03555	0.1
161.02455	1.3
173.04584	0.3
174.05283	0.1
179.03542	0.5
180.03914	0.1
191.05624	0.5
195.06662	0.1
211.13530	0.1
249.47946	0.1
255.02995	0.6
256.03464	0.1
269.04709	0.2
283.02545	0.5
283.13385	0.2
284.03204	0.2
285.04041	1.3
328.12958	0.1
329.13882	0.1
447.09552	0.4
669.30963	0.6
670.31989	0.2
714.26093	0.1
732.40167	0.5
733.25446	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.3
59.79328	0.6
61.98822	2.1
69.03455	2.6
71.01376	2.7
77.03957	2.3
89.02454	2.5
89.03963	1.3
93.03452	1.3
95.05025	4.3
96.96039	1.2
101.02454	2.7
105.03459	16.6
107.05021	1.3
108.02176	0.8
109.02912	0.8
113.02423	1.0
117.03418	1.8
119.05017	1.3
121.02951	1.1
121.06593	0.8
122.03711	1.0
123.04544	2.5
123.22836	0.6
131.05005	0.8
132.02194	2.1
133.02960	100.0
134.03780	20.0
135.04526	70.6
136.04868	2.8
137.02455	5.1
139.04039	1.4
140.79984	0.8
146.03738	1.9
149.02417	1.1
149.06088	3.0
150.03259	5.3
151.00371	1.1
151.07773	0.9
159.04494	1.3
160.01653	2.7
161.02454	25.9
161.06104	2.8
162.02835	1.8
164.04764	1.2
165.05582	3.1
177.01932	62.4
178.02716	16.7
179.03500	46.9
179.06935	4.7
180.03958	1.5
191.05611	1.7
193.05077	2.0
195.06602	1.4
203.03564	0.9
205.05069	1.8
215.03506	0.7
233.04535	15.7
251.05640	1.1
285.03986	1.2
313.10825	1.4
325.03421	1.7
327.08841	6.5
330.11203	0.9
331.11829	1.7
339.08685	8.6
357.09741	13.8
375.10385	3.2
381.98837	0.8
397.83759	0.8
418.34866	0.7
527.19855	0.8
535.14703	6.0
536.15399	3.5
537.16174	13.6
538.16565	2.2
571.09729	0.8
591.17212	2.8
715.21875	4.1
733.13721	1.6
733.24359	9.1
734.24457	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	733.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.8
57.03425	1.9
59.01382	21.3
67.01872	0.9
68.99437	0.7
68.99821	16.9
69.03459	27.9
71.01381	25.8
72.99294	1.0
73.02947	2.2
73.45710	0.7
79.95735	1.0
81.03448	2.2
83.01389	1.8
85.02953	7.0
87.00869	9.3
89.02441	13.0
90.76280	0.9
90.98566	1.6
93.03461	7.0
95.01406	1.3
95.05036	13.3
95.97610	1.9
96.96001	1.1
97.02936	1.0
98.22677	1.6
99.00842	0.8
99.04529	6.0
101.02438	13.8
107.05037	18.2
109.02953	1.2
109.06622	1.2
111.00897	1.2
111.04493	1.1
113.02455	23.4
113.03243	1.3
118.06643	0.7
119.03513	5.3
121.02939	2.0
122.03739	11.3
123.04514	1.4
125.02483	1.6
125.06091	3.6
126.06031	0.7
133.02980	1.9
133.06607	3.6
135.04547	6.1
136.01636	1.1
137.02420	1.6
143.03513	1.8
147.04474	1.2
149.02444	1.1
150.03229	82.7
151.03629	2.3
151.07655	6.9
155.03502	1.0
161.02422	1.6
161.04550	2.8
163.04053	1.3
164.07172	2.7
165.05573	100.0
166.05872	3.4
169.08725	10.9
173.04556	7.0
179.03548	4.0
179.05588	6.2
182.76144	0.7
185.08218	0.6
191.05620	24.0
195.06635	20.4
213.07687	33.1
214.08029	1.2
231.05138	5.3
237.07649	3.2
244.02873	6.4
245.03372	0.7
255.08742	14.6
256.08978	0.9
257.06656	2.4
263.09094	0.9
267.08722	1.5
285.09689	1.2
291.08728	0.9
297.09900	1.7
353.08701	8.9
357.11899	45.0
358.12244	1.8
375.12952	74.4
376.13303	3.3
391.11908	1.4
406.82797	0.7
417.14099	5.1
445.13431	9.1
459.15179	2.1
471.14972	2.4
472.15366	0.9
519.17102	14.3
520.17474	1.2
553.18701	0.9
571.20349	32.7
572.20593	2.6
665.85828	0.7
733.26129	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.8
59.69922	0.5
61.98829	33.1
67.01878	4.8
68.99816	5.2
69.03450	39.1
71.01381	7.7
72.99316	2.8
73.02943	0.8
77.03957	0.8
81.03453	1.9
85.02945	1.2
87.00852	0.8
89.02441	5.3
93.03448	2.3
95.05023	6.4
96.96014	2.0
97.02928	1.2
99.04512	1.9
101.02441	6.9
105.03455	3.6
105.07114	0.7
107.05022	3.1
108.02168	6.2
109.02975	3.2
111.00871	1.3
113.02449	2.0
118.07496	0.5
119.03503	1.7
119.05006	0.7
121.02947	9.5
121.06575	1.0
122.03741	0.9
122.75688	0.6
123.04521	33.4
123.08151	0.7
124.04845	0.7
127.04012	2.0
133.02936	2.7
133.06561	2.4
134.03679	0.5
135.04504	1.0
136.05339	0.7
139.00349	1.1
147.04509	0.9
149.02429	2.7
150.03224	0.9
151.03999	100.0
152.04327	2.4
153.05574	4.3
161.02415	2.8
161.04474	0.9
164.04797	0.5
165.01883	0.8
165.05621	3.2
173.06050	2.5
175.07657	0.8
177.01877	0.7
179.05602	5.0
179.07021	0.9
180.04185	0.8
183.06613	7.9
183.08197	0.7
191.05653	0.8
195.06641	4.6
209.04503	2.6
221.08170	40.7
222.08527	2.0
223.06076	3.6
227.05591	14.8
265.07126	20.1
269.10287	3.8
283.11841	1.7
289.72629	0.7
297.09756	10.5
329.12436	5.9
345.15378	1.2
354.99844	0.5
371.09726	3.8
403.12485	3.3
512.55042	0.6
733.23663	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.5773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62765	0.1
65.41090	0.1
66.69613	0.1
69.28082	0.5
69.28482	0.2
69.28899	0.1
74.11806	0.1
78.14862	0.1
85.00446	0.1
97.06596	0.1
98.22014	0.4
175.95023	0.1
183.62402	0.1
196.41606	0.1
277.21729	2.6
278.22168	0.2
278.93384	0.1
391.29660	0.2
407.33191	0.8
424.00403	0.1
455.35300	100.0
456.35651	10.8
606.18030	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43085	0.2
53.16324	0.2
59.01379	0.4
61.98829	100.0
69.10366	0.4
69.10777	0.7
71.01411	0.2
82.95376	0.2
83.96509	0.2
85.00452	0.2
116.92917	0.3
123.23685	0.2
133.03029	0.2
134.03641	0.2
135.04562	0.3
139.80388	0.2
140.20625	0.1
151.00369	0.5
161.02448	0.2
179.03487	0.3
191.05641	0.3
191.26131	0.2
285.04184	0.6
286.04675	0.5
287.04968	0.2
487.35107	0.2
572.22461	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89330	0.2
57.03425	0.3
59.01378	1.1
60.99313	0.6
61.98814	0.4
62.05443	0.2
63.02396	0.3
65.00324	1.0
67.01882	1.1
68.99824	0.4
69.03482	0.5
69.62395	0.3
69.62734	0.8
71.01365	1.0
73.02949	0.3
81.03453	0.4
83.01395	0.9
85.00439	0.3
85.02943	1.4
87.00867	2.0
89.02422	0.4
93.03458	9.7
96.96021	0.4
97.02937	0.3
97.86257	0.2
98.21873	0.4
99.04528	0.2
101.02452	0.5
105.03448	0.5
107.01398	2.0
108.02202	0.3
109.02947	0.6
111.04514	1.7
113.02441	0.4
121.02970	0.8
123.04492	0.6
124.01693	0.3
125.02431	0.8
127.04002	0.4
132.02191	0.7
133.02957	11.7
134.03758	2.1
135.04518	5.2
136.05339	0.6
137.02446	0.7
143.07104	0.3
149.02432	2.3
149.06120	0.3
150.03252	1.4
151.00368	5.9
151.03992	0.7
155.03525	0.4
160.01671	1.8
161.02481	1.5
162.03171	0.7
165.05565	0.9
167.03505	0.5
173.04550	5.3
173.05991	0.5
175.04027	2.6
177.01965	0.6
178.02687	0.5
179.03532	1.4
180.04242	0.3
191.05608	14.0
192.05943	0.4
195.04701	0.3
195.06573	0.4
197.06110	0.3
198.03203	0.6
199.04019	2.2
201.01952	1.0
213.05534	0.3
215.03583	0.3
217.05074	1.8
223.03984	0.3
231.10240	0.5
233.64017	0.2
241.05147	1.2
243.03026	0.7
257.04480	0.4
257.08261	0.9
267.03113	0.3
275.09277	1.0
284.03299	0.9
285.04044	100.0
286.04401	6.7
287.04648	1.1
343.11835	0.5
351.06998	0.4
352.07941	0.7
403.17310	0.3
404.17896	0.3
447.09396	1.0
448.09473	0.7
449.14578	21.1
450.14929	1.6
573.22253	0.4
735.25354	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	735.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94554	0.7
55.03876	0.7
55.10622	0.7
57.03457	1.1
58.00561	0.7
59.01380	40.1
60.99311	0.6
62.26801	0.7
64.95572	0.6
67.01887	1.1
69.03459	30.2
71.01383	21.8
71.43733	1.0
83.01391	0.8
83.74883	0.7
85.02954	4.2
87.00873	2.0
89.02447	21.8
93.03464	8.8
95.01363	1.7
95.05018	1.5
96.96017	3.4
97.02952	32.8
101.02443	10.7
105.03480	2.7
107.05023	1.0
111.04533	0.8
113.02462	8.0
119.03520	7.9
119.05022	4.1
121.06613	2.0
123.04522	10.1
132.28281	0.7
133.02936	0.8
141.01967	1.6
143.03510	1.0
145.19907	0.7
147.04547	1.0
149.06084	14.2
151.07706	0.8
163.04018	7.7
167.07135	8.2
173.04558	1.1
176.07143	1.2
177.01920	3.9
179.05606	3.8
179.94817	0.7
191.05615	9.9
193.05055	33.4
194.05476	1.0
211.06110	3.3
213.07587	0.7
227.87263	0.7
250.28441	0.8
281.05164	0.8
288.21298	0.8
337.09290	4.4
339.07123	2.2
359.09879	0.8
373.11407	100.0
374.07211	1.1
374.11691	7.9
375.12979	3.0
461.89716	0.7
698.47626	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92023	0.1
52.00502	0.1
59.01366	0.4
61.98826	100.0
62.98526	0.1
69.83167	0.2
69.83515	0.2
71.01429	0.1
78.95892	0.1
88.98869	0.1
89.02435	0.1
101.02444	0.1
113.99542	0.1
116.92844	0.1
117.27705	0.1
125.02502	0.1
133.02989	0.2
135.04526	0.4
137.02451	0.1
149.06070	0.1
150.03285	0.1
161.02466	0.4
173.04703	0.1
177.05627	0.1
179.03529	0.3
191.05658	0.3
209.11932	0.2
221.04636	0.2
227.40012	0.1
251.05467	0.1
281.06659	0.1
285.03928	0.1
341.08899	0.1
345.36069	0.1
370.91486	0.1
376.05118	0.1
512.15204	0.1
736.35693	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	737.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16144	0.5
55.13226	0.6
57.03443	0.9
59.01382	7.7
60.99310	4.3
61.98813	1.8
65.00321	1.1
67.01894	9.2
69.03458	3.2
71.01382	7.1
73.02941	1.0
75.02787	0.6
76.26385	0.6
81.03460	1.4
83.01384	0.9
83.05025	1.5
85.02944	2.6
85.26683	0.6
87.00878	12.5
89.02450	2.1
93.03460	70.8
94.03784	2.0
95.01401	0.7
96.96026	1.4
99.00896	1.7
99.04520	1.3
101.02429	2.6
107.01405	1.7
109.02929	1.2
111.04522	8.5
113.02457	1.9
117.03464	0.5
119.05014	0.8
120.36852	0.6
123.04468	0.8
125.02447	0.8
127.04013	1.0
129.01918	1.4
132.02226	0.9
133.02948	3.3
134.03748	6.9
135.04529	13.0
136.05222	1.2
137.02443	0.9
149.02393	0.6
151.00356	4.2
151.04076	0.7
155.03557	3.1
160.01675	3.2
161.02449	2.1
161.04630	0.6
162.03217	2.3
163.03902	0.7
167.62044	0.6
173.04552	34.4
174.04906	1.0
179.03529	1.3
191.05612	24.0
192.05977	0.7
231.10254	3.1
257.08298	1.0
269.04526	1.8
275.09219	7.1
276.09677	0.6
285.04074	4.8
286.04434	2.2
287.05542	2.8
333.72339	0.6
352.07993	1.1
449.14536	100.0
450.14871	8.5
451.14798	0.7
556.31165	5.0
557.31757	3.6
736.37823	2.0
737.39368	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	737.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36423	0.3
52.86474	0.3
53.57244	0.2
59.01382	1.6
67.01894	0.5
69.50272	0.3
69.50652	0.6
71.01389	0.7
73.02943	0.3
83.05038	0.2
85.02957	4.9
87.00877	1.1
89.02435	0.6
91.53224	0.2
93.03465	2.5
93.49721	0.2
99.04528	0.4
101.02477	0.3
109.02949	0.6
111.04535	0.5
113.61345	0.2
127.04008	1.7
130.77783	0.2
133.02988	1.2
134.03362	0.3
135.04535	1.1
142.16103	0.2
161.02464	2.2
171.03018	0.6
173.04568	1.6
179.03479	1.0
191.05621	100.0
192.05968	3.3
215.05406	0.3
254.73328	0.2
297.48267	0.2
312.26358	0.2
341.10757	0.4
351.07150	0.4
352.07590	0.4
353.08780	15.9
354.09088	1.0
395.15182	0.3
417.79129	0.2
666.38385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.5
57.03437	1.1
58.00591	0.6
59.01379	100.0
60.01723	0.9
61.98826	0.9
65.03969	1.5
67.01881	1.4
67.73698	0.5
68.99816	18.8
69.03455	15.7
71.01379	64.0
72.01701	0.5
72.99290	1.5
73.02944	5.4
75.00866	1.0
83.01383	3.3
85.02954	15.5
87.00877	2.9
89.02444	67.9
89.32507	0.4
90.02789	1.0
91.01893	1.9
92.02692	0.6
93.03457	12.4
95.01389	4.8
97.02938	1.3
98.21875	1.3
99.00892	1.4
99.04543	0.7
101.02444	59.1
102.02767	0.9
107.05022	8.9
113.02449	32.8
114.02814	0.7
117.03384	0.5
119.01352	1.1
119.03503	27.7
119.04940	1.1
120.02164	1.3
121.02960	17.3
121.06590	5.3
123.04543	0.9
125.02424	1.6
130.04222	0.5
131.03514	3.2
131.05054	0.7
135.04541	2.5
137.02444	1.5
143.03505	7.3
143.05032	1.0
145.06604	3.4
147.04506	4.0
147.08180	0.4
148.05305	52.5
149.02443	1.0
149.04507	2.0
149.05774	1.7
151.04036	3.7
153.05577	16.5
158.03764	1.2
159.02962	1.3
159.04340	0.4
161.02467	0.9
161.04564	14.7
161.06000	1.0
163.03999	2.5
163.07649	35.9
164.07977	1.4
165.01909	1.3
165.05504	0.8
171.04507	2.3
173.06076	8.7
174.06412	0.4
175.04021	0.8
179.02042	0.5
179.03474	8.2
179.05576	13.8
179.07051	0.8
181.05054	0.8
187.04065	0.4
187.07625	1.5
189.05580	1.9
190.06461	0.5
191.05617	0.6
191.07161	5.2
193.05164	0.5
195.06648	0.9
197.04521	1.4
199.03961	0.6
203.07108	0.6
205.08685	4.3
207.06575	1.7
217.04987	2.0
221.04549	1.2
221.08214	0.8
223.09727	1.0
231.06619	3.6
235.06146	2.3
239.09300	0.5
243.12842	0.5
249.07664	5.8
250.07941	0.5
265.96310	0.4
267.08743	2.4
285.03763	0.7
291.08734	1.4
309.06482	0.6
309.09772	5.0
341.08771	25.4
342.08926	1.8
353.12280	1.0
361.09113	1.1
375.10666	0.9
379.09738	0.5
393.11945	2.4
397.11237	1.3
411.12897	10.6
412.13303	0.7
429.13983	26.7
430.14124	1.8
453.13870	0.5
471.14594	0.6
473.18115	6.0
474.18185	0.8
505.17188	48.7
506.17627	5.5
525.16736	1.5
539.18671	0.8
543.18237	1.4
557.20239	0.9
573.18103	1.4
575.21393	9.8
576.21228	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84725	1.1
61.98817	3.4
63.04229	1.1
65.00329	1.7
69.61940	3.9
74.25220	1.0
75.83112	1.1
83.08634	1.3
86.13462	1.1
86.21889	1.1
96.95922	1.3
107.01373	2.0
133.02951	2.7
142.32570	1.1
149.02454	2.0
151.00314	5.7
175.04001	2.4
199.04037	1.5
200.04695	1.3
211.04086	1.2
217.05089	1.8
243.02919	1.3
255.03000	5.8
256.03693	4.4
283.02466	6.4
284.03256	41.5
285.04041	100.0
286.04352	5.2
297.03625	1.2
413.18170	1.3
449.80069	1.2
575.22864	3.1
639.20776	2.6
719.27191	1.6
737.28180	56.3
738.28607	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	737.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
56.02759	0.3
57.03434	0.4
59.01378	22.8
61.69934	0.3
69.03458	5.4
69.08196	1.3
69.08604	0.7
71.01380	13.7
72.99313	0.5
73.02949	4.5
83.01376	1.2
85.02940	3.6
87.00895	0.5
89.02443	13.7
93.03462	1.3
95.01401	0.8
95.04043	0.4
97.02951	8.8
99.00865	0.4
99.04517	55.5
100.04881	0.6
101.01779	0.7
101.02442	10.4
105.03468	0.8
113.02443	6.7
119.02731	0.6
119.03501	5.0
119.27159	0.3
121.02931	0.5
122.56055	0.4
123.04514	1.7
126.81670	0.4
143.03511	0.6
149.06078	1.6
161.04549	2.3
167.07138	0.9
179.05597	2.1
183.10268	1.5
191.05634	0.4
193.05069	4.9
201.01617	0.4
201.11218	0.4
263.11325	2.4
319.17682	0.7
345.15527	4.8
347.81299	0.4
353.02267	0.3
363.16595	100.0
364.16953	5.2
373.11383	14.9
374.11896	0.7
640.80914	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61618	0.4
57.03436	1.3
58.91924	0.4
59.01380	21.3
59.04670	0.4
59.25296	0.3
69.03456	32.6
69.35519	2.1
70.03777	0.5
71.01383	10.1
72.99279	0.4
73.02950	0.7
81.03429	0.8
83.01406	0.6
85.02950	2.4
87.00880	2.1
89.02439	9.2
89.02936	0.8
93.03453	0.8
95.01389	0.6
95.05029	13.7
99.04520	4.7
101.02441	5.5
105.73258	0.4
107.05038	5.7
109.06611	0.7
113.02448	17.3
113.56816	0.4
119.03512	3.1
125.06087	2.9
131.07159	1.8
133.06575	0.9
151.07654	6.0
161.04553	0.7
169.08696	10.6
179.05664	0.8
191.05663	1.1
195.06613	1.0
213.07677	28.7
214.07982	1.1
220.60742	0.4
244.02719	0.9
290.84821	0.4
293.12381	5.8
361.15091	2.9
375.12943	100.0
376.13269	7.2
443.19186	2.4
664.62531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.9
67.01891	21.2
68.99816	14.5
69.00104	0.2
69.03456	2.6
71.01402	1.9
73.02950	0.5
80.95522	0.4
89.02471	2.7
93.03456	0.7
95.05028	100.0
96.05367	2.2
97.02947	0.5
98.22598	0.9
99.00925	0.5
99.04506	2.3
101.02444	34.2
102.02766	0.6
111.00883	9.5
111.04513	0.7
112.01663	1.1
119.05023	1.5
121.02959	11.3
121.06609	0.6
123.04532	2.5
125.02415	0.5
127.04015	64.5
128.04350	1.2
137.06081	0.5
139.00375	24.9
139.04013	17.5
139.05110	0.7
140.00734	0.8
140.04326	0.4
147.04477	1.8
149.02460	0.9
149.04620	1.9
161.02510	0.5
163.04103	0.4
165.05556	6.0
167.48009	0.4
171.03020	1.3
179.07166	3.0
181.05034	1.1
191.05664	1.4
195.06714	0.5
209.04561	3.3
213.07631	0.5
223.06148	3.8
241.07184	49.1
242.07515	2.4
255.08754	1.3
273.09808	5.0
349.18539	0.5
454.73315	0.4
463.21844	4.8
464.21927	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	47.9
61.98816	3.9
69.15293	5.1
69.15697	3.8
71.01379	32.6
73.02940	4.6
81.03457	1.5
83.01384	4.1
85.02937	4.3
87.00880	6.0
89.02444	24.9
90.56828	1.5
95.01402	2.6
97.02924	4.8
98.22699	2.9
99.00828	2.6
101.02438	23.4
113.02459	12.9
119.03484	5.7
119.04317	1.3
125.02463	11.5
131.03435	2.3
133.05194	1.3
143.03456	5.1
161.04550	5.8
162.04811	1.5
179.05557	5.4
191.26411	1.4
221.06548	1.4
235.08290	13.6
253.09322	2.3
279.23300	91.5
280.23578	5.9
287.07632	3.3
305.08801	3.8
305.28665	1.6
397.13483	100.0
398.13879	8.8
415.14514	31.3
647.02795	1.7
677.37164	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	737.5184
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02968	0.3
59.01380	16.1
71.01389	0.2
81.03458	4.8
82.06619	0.3
83.05029	14.2
86.80404	0.2
98.22612	0.5
104.78143	0.3
106.81682	0.2
107.06175	0.3
108.04558	0.5
125.07207	0.8
126.05548	0.3
126.46384	0.2
143.08199	0.4
147.55099	0.3
152.01169	0.3
161.02446	0.4
167.03490	0.4
183.26865	0.2
207.15048	0.9
208.13309	0.3
224.17686	2.5
225.16078	11.3
226.16513	0.6
228.73117	0.3
229.14554	0.3
242.18735	0.6
251.13937	0.3
309.21768	0.7
324.26544	0.5
333.22839	0.5
341.29150	0.4
367.27008	1.1
386.42386	0.3
433.31781	0.9
450.34708	1.2
451.32898	7.8
452.33398	1.1
463.35782	0.3
550.43439	1.1
559.39758	0.3
565.44733	0.4
567.44971	0.3
593.43207	0.4
659.48291	1.4
660.49030	0.5
677.49683	100.0
678.49982	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99004	0.1
59.01377	0.3
61.98829	100.0
62.98515	0.1
71.01404	0.1
76.90017	0.1
82.67345	0.1
91.66273	0.1
95.08092	0.1
101.02473	0.1
122.85869	0.1
131.24008	0.1
151.00349	0.1
158.78568	0.1
277.21582	0.1
278.22150	0.2
279.22382	0.2
285.04105	0.3
398.14133	0.2
399.13953	0.4
399.18701	0.1
400.14456	0.2
417.15009	0.1
418.15375	0.1
422.82504	0.1
424.47928	0.1
433.48438	0.1
458.63766	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	738.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.5
61.98829	100.0
68.29618	0.1
69.61722	0.3
77.81888	0.1
78.95916	0.2
81.38252	0.1
89.02456	0.1
117.72162	0.1
141.44431	0.1
150.06839	0.1
152.99591	0.2
170.53242	0.1
177.80620	0.1
277.21625	0.2
278.22012	0.3
279.22592	0.2
285.04156	0.5
392.09650	0.1
397.13574	0.2
398.13968	0.5
399.14166	0.4
400.14352	0.2
447.09467	0.2
483.39392	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.297
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57497	0.3
61.98830	0.6
63.02407	0.9
65.00330	1.2
69.61940	0.3
69.75192	1.0
71.70378	0.3
78.53136	0.3
83.01385	0.7
95.97136	0.3
107.01389	2.3
109.02946	0.8
121.02957	0.4
125.02380	0.3
133.02942	4.2
134.03745	0.6
149.02435	1.6
151.00359	4.6
153.11015	0.3
160.06117	0.3
167.03450	0.3
167.04932	0.3
171.04541	0.5
175.04001	1.5
185.06113	0.5
187.04053	0.4
196.00053	0.3
197.06076	0.6
199.04031	2.0
201.01973	0.6
211.04031	0.8
213.05702	0.4
214.38876	0.3
215.03363	0.4
217.05038	0.8
217.11949	0.3
227.03456	1.1
241.05028	0.7
243.03053	0.8
255.02960	3.8
256.03793	2.5
257.04623	0.4
269.04526	1.4
283.02484	2.8
284.03262	36.8
285.04031	100.0
286.04388	4.9
297.04056	0.5
313.03452	0.4
327.05002	0.6
380.16245	0.3
420.24680	0.3
446.08423	3.4
447.09116	0.5
450.32443	0.3
576.97351	0.3
577.24689	1.0
599.21869	0.4
739.29681	49.7
740.29932	6.1
749.47913	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.1
59.01376	1.1
61.98830	2.3
63.02396	1.2
65.00333	2.8
70.32075	1.0
70.32373	1.1
77.09143	0.7
83.01399	1.8
96.95999	1.2
107.01384	5.4
114.98820	0.7
125.01587	1.3
125.02440	9.1
126.35309	0.7
133.02899	4.0
134.03769	3.5
135.04523	15.2
149.02390	0.8
151.00359	16.2
161.02460	1.6
164.01155	1.3
174.03249	0.8
175.00351	1.0
175.03975	1.7
177.01949	1.6
199.03978	2.5
200.04753	0.9
215.03510	0.8
217.05151	1.0
241.05017	0.9
242.05791	0.9
243.06679	1.6
244.63829	0.8
255.02922	4.6
256.03735	2.6
269.04474	2.3
270.04953	0.8
283.02533	3.5
284.03268	37.3
285.04025	100.0
286.04520	6.8
287.05579	3.3
407.22198	2.3
446.08215	3.5
577.24414	29.1
578.24719	3.7
739.29675	47.8
740.30176	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	740.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48881	0.8
55.01863	2.5
57.03437	2.0
59.01378	22.9
60.99297	0.9
61.98821	3.6
63.41474	0.9
65.00301	0.8
69.03460	1.3
71.01381	25.3
73.02943	10.6
75.00847	0.9
83.01390	4.0
85.02454	1.0
85.02957	14.4
86.06509	0.8
86.58210	0.8
87.00884	2.1
88.98808	3.1
89.02440	7.0
93.03454	1.5
95.01376	2.6
96.96001	2.2
97.02948	3.1
99.00874	3.7
101.02442	22.0
109.02923	1.3
111.00854	1.3
113.02456	10.4
116.92868	5.4
117.03438	1.5
119.03499	3.0
123.04459	1.2
132.02205	3.0
133.02960	29.5
134.03738	2.5
135.04529	19.1
136.01755	1.0
137.02409	2.0
143.03528	1.0
149.06067	1.4
151.00410	2.0
151.03996	1.5
156.00623	1.2
159.03018	1.7
159.04410	0.9
161.02443	82.9
161.04378	5.4
162.02867	1.1
166.02675	2.1
173.04568	3.4
175.03917	1.0
177.05566	2.1
179.03502	14.6
179.05241	1.2
179.05679	1.2
181.05014	1.9
181.74628	0.9
182.54872	0.8
191.05573	5.3
195.06313	1.0
209.11913	1.0
211.07631	1.3
213.29164	0.9
221.04556	3.0
227.12878	1.0
251.05663	1.0
252.93752	0.9
269.04599	2.1
281.06604	2.3
285.04071	1.2
318.81586	1.0
323.07788	6.5
373.27505	7.2
431.09793	2.1
531.16705	1.0
535.32880	5.4
697.38031	100.0
698.38269	14.6
741.23816	5.5
741.33966	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
61.98830	100.0
62.98531	0.1
69.42947	0.2
69.43330	0.3
83.05025	0.2
90.43856	0.1
93.03527	0.2
107.29514	0.1
120.16988	0.1
126.70190	0.1
133.03017	0.1
135.04568	0.3
161.02480	0.4
173.04616	0.4
191.05684	0.4
218.68684	0.2
225.16217	0.3
226.16464	0.1
253.41922	0.1
387.49512	0.1
453.33777	0.2
678.50348	0.2
679.50537	0.3
680.50555	2.1
681.50525	0.2
740.25519	0.1
740.49292	1.9
741.26605	0.2
741.50134	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03156	0.6
59.01381	1.5
60.41682	0.6
61.97331	0.6
71.43518	0.7
74.67124	0.6
85.02953	2.7
85.98609	0.6
89.02415	1.1
92.75167	0.6
101.02428	2.4
103.03982	1.0
105.03451	0.8
119.03471	0.6
119.05013	1.0
129.01045	1.2
129.01950	13.6
133.02933	3.6
134.03729	1.2
135.04564	1.1
136.01682	1.0
147.03000	15.4
149.02438	0.7
150.03206	1.3
151.00345	2.6
151.03987	1.9
161.02492	1.1
163.04007	1.8
171.34364	0.6
173.04553	1.5
175.03947	0.9
177.01959	1.6
179.03593	0.7
191.05638	6.8
195.06621	0.9
213.05569	0.7
241.05006	2.1
256.03796	1.9
256.07278	1.0
271.09738	3.0
284.03262	38.0
285.04037	83.4
286.04297	4.8
293.06851	1.0
327.05032	1.0
353.08844	1.0
447.09323	100.0
448.09610	8.7
519.32898	0.7
626.42957	0.6
648.24048	0.6
741.24139	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.2
59.01381	3.1
67.01893	0.7
68.99796	0.3
69.03448	0.5
71.01375	1.9
73.02927	0.5
77.29015	0.2
79.88228	0.2
81.03452	0.4
83.05007	0.4
85.02945	6.9
87.00862	1.8
89.02444	1.2
93.03455	4.0
95.01382	0.5
95.05018	0.8
96.95988	0.4
97.02969	0.2
98.21897	0.9
99.00873	0.2
99.04514	0.3
100.15137	0.3
101.02477	1.3
106.49200	0.3
109.02946	1.2
111.04505	1.2
113.02426	0.6
119.03494	0.3
119.05015	0.4
123.04521	0.3
127.04025	2.6
129.35410	0.2
133.02972	1.5
135.04530	3.5
137.02400	0.6
143.03448	0.3
151.00381	0.4
155.03497	1.1
161.02451	2.9
163.03983	0.5
166.02737	1.9
171.02963	0.5
173.04553	3.0
177.01886	0.3
179.03497	2.8
181.05038	2.9
191.05612	100.0
192.05936	3.6
193.05055	0.3
199.93414	0.2
205.92816	0.2
209.81184	0.3
215.14961	0.2
217.29326	0.2
219.06689	0.5
255.06491	0.3
284.03387	0.5
285.04041	1.1
304.41992	0.3
343.11621	0.5
351.07022	0.5
353.08728	9.5
354.09052	0.8
369.09668	0.3
387.10852	0.7
417.15558	4.5
418.15588	0.6
447.09283	0.3
519.24750	0.5
561.16199	0.4
579.13953	0.6
681.29877	1.1
723.21582	0.8
741.22302	4.2
742.22784	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32887	0.3
59.01371	0.7
60.81804	0.3
69.53202	0.6
69.53600	0.6
71.01375	1.3
73.02941	0.4
85.02966	1.3
93.03455	0.3
95.01377	0.4
97.02940	0.4
98.22594	0.5
101.02454	0.6
109.02934	1.4
111.00812	0.3
113.02439	0.6
121.03008	0.4
123.00849	1.4
123.04506	0.4
125.02448	0.8
133.02940	0.6
135.04539	0.4
137.02448	6.7
139.04074	0.4
149.02432	0.7
150.03247	0.5
151.00375	12.0
151.03992	1.0
152.01077	1.1
152.04768	2.7
153.01891	0.5
160.05301	0.3
161.02480	0.4
161.04553	0.8
162.82503	0.3
163.03867	0.4
164.04744	0.5
165.01918	0.9
166.02710	52.7
167.03252	2.5
175.02666	0.3
175.04016	1.2
177.01920	2.4
178.02531	0.4
179.03511	0.8
180.04144	0.3
181.05066	77.8
182.05379	2.6
189.05620	0.3
190.02647	0.3
190.06410	1.3
191.03430	0.9
191.05588	2.7
192.04250	1.4
193.04994	0.6
205.05051	0.8
205.08675	1.5
207.06601	1.1
209.12346	0.3
210.05324	0.3
218.05797	0.3
221.04472	0.3
232.72287	0.3
235.06271	0.3
285.04050	0.6
299.36136	0.3
299.39594	0.3
301.07388	0.3
310.07620	0.3
329.10339	0.4
341.57819	0.3
353.08444	0.3
356.12363	0.4
357.09637	0.4
359.11353	1.4
371.14978	0.5
387.10834	12.2
388.11264	1.0
402.13193	10.6
403.13190	0.7
417.15543	100.0
418.15909	9.9
418.20682	0.2
579.20837	0.6
692.07568	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
56.39535	0.3
57.03453	0.9
59.01379	6.6
61.98822	0.8
69.03459	0.6
69.48094	0.3
71.01381	5.4
72.99310	0.5
73.02942	1.4
75.00864	0.8
77.62634	0.3
83.01376	0.7
85.02950	3.2
87.00853	0.9
87.83572	0.4
88.98797	1.3
89.02448	2.7
89.99052	0.3
93.03458	0.8
95.01371	0.7
97.02938	0.6
98.21772	0.7
99.00897	0.9
101.02448	3.6
103.95333	0.4
104.57929	0.3
105.03445	0.9
106.45237	0.3
107.05016	0.6
109.02931	0.9
113.02470	1.6
113.94542	0.3
116.92871	0.5
117.03479	1.9
119.03501	0.7
125.02428	0.4
129.01952	1.0
132.02170	2.3
133.02957	36.7
134.03688	2.0
134.22789	0.3
135.04520	22.8
137.02437	0.6
146.03636	0.4
149.06145	0.9
150.03232	0.4
153.30815	0.3
159.02945	0.6
159.04471	0.5
161.02443	100.0
162.02779	3.3
166.02681	0.4
169.43901	0.4
173.04523	0.9
175.03990	0.7
177.01927	0.5
177.04050	1.9
177.05574	1.7
178.02748	0.5
179.03506	14.7
180.03856	0.5
181.05063	0.7
191.05553	1.8
194.80412	0.3
199.82460	0.4
209.11807	0.6
211.07700	1.1
219.03020	0.5
221.04547	1.0
233.04419	0.4
268.03751	0.8
269.04507	0.9
281.06598	0.5
285.04102	0.7
319.27182	0.4
323.07678	2.4
339.07248	1.5
359.13956	0.3
395.69885	0.4
417.17291	0.5
431.09863	1.7
439.13889	0.4
518.84406	0.4
549.17694	1.2
561.27063	1.0
579.30316	0.6
697.37463	0.8
697.79468	0.4
698.38312	3.3
732.68158	0.4
741.33545	63.7
742.34131	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	741.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.2
61.98815	0.9
69.32806	3.6
69.60409	0.7
71.01379	5.7
73.02940	1.8
73.93767	0.7
80.02670	1.1
81.03457	1.4
83.01395	1.4
83.05023	6.1
84.02166	1.8
85.02949	2.3
88.13133	0.5
89.02450	3.2
92.91544	0.6
93.03464	1.6
95.05007	0.6
96.24829	0.7
96.95991	1.2
98.21889	1.5
101.02454	3.6
105.03457	0.8
107.01381	0.7
111.00904	0.7
113.02452	2.7
117.03477	1.7
119.03534	0.8
121.02961	23.1
124.32491	0.8
132.02162	1.6
133.02963	30.6
134.03728	1.9
135.04541	12.5
135.08173	1.1
137.02451	0.8
145.02986	1.3
146.03738	0.8
151.00389	1.7
161.02449	82.3
162.02788	2.7
163.11266	5.3
165.05688	1.0
165.12924	3.5
169.97678	0.7
173.04581	1.8
177.02003	1.0
177.05582	0.9
179.03484	6.7
180.03905	0.8
191.05641	3.7
191.10776	1.0
209.11838	100.0
210.12195	3.0
219.02992	0.7
227.12903	36.4
228.13240	1.4
230.72650	0.8
269.04559	3.3
284.03281	0.8
285.04184	3.3
332.32388	0.7
347.17017	1.6
391.16064	8.2
399.26443	0.7
563.28705	3.1
722.60925	0.7
741.33368	43.9
742.34326	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	741.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	14.3
61.98824	44.2
67.01877	3.3
67.76211	2.4
71.01363	6.6
71.43768	3.0
71.44438	2.8
73.02943	3.0
73.98835	2.9
82.95430	8.1
84.95115	4.6
85.00451	2.8
85.02946	5.3
88.98794	5.6
89.02484	3.8
93.03468	8.8
96.96053	4.7
101.02444	9.4
103.05039	2.5
104.78728	2.5
106.46682	3.6
106.55463	2.6
109.02930	3.5
116.92900	3.6
125.02490	2.7
133.02948	4.5
135.04529	7.3
151.00372	5.9
161.02428	7.5
173.04506	8.4
179.03485	4.5
191.05594	19.0
209.11827	100.0
210.12144	3.1
211.13388	4.4
227.12926	20.9
229.01476	3.1
230.67793	2.6
241.04778	3.2
253.09314	4.7
269.04663	4.6
284.03262	6.3
285.04041	10.4
293.04489	4.2
339.97931	2.7
445.20813	13.3
464.92789	3.2
579.29504	8.9
637.32233	4.9
647.35425	2.7
655.33337	3.1
741.34796	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69079	0.8
55.01880	1.2
57.03421	1.1
58.00585	0.9
59.01377	89.8
59.49105	0.9
61.78214	0.7
67.01884	3.6
67.31426	0.7
68.99815	35.2
69.03451	14.5
71.01379	38.7
73.02940	2.0
73.69284	0.8
74.49966	0.8
83.01341	1.9
85.02957	6.3
87.00862	2.5
89.02446	34.0
93.03459	4.4
95.01384	4.9
95.05017	1.4
97.02928	3.1
99.00867	3.7
101.02441	57.4
111.00869	1.3
112.83117	0.7
113.02452	12.8
119.03515	12.2
119.05017	3.5
121.02932	4.7
122.98244	0.7
123.04517	10.8
125.92179	0.9
127.03953	4.3
130.04205	1.3
131.03500	1.7
131.04994	1.5
135.04463	1.6
143.03452	1.3
145.06526	1.0
147.04500	7.7
149.02443	3.3
149.06055	2.8
151.03964	1.4
153.05586	3.0
159.04482	1.2
161.04541	2.0
163.03973	2.1
171.04544	1.1
173.02562	0.9
173.06059	2.0
175.03999	10.7
175.07643	3.5
179.05583	5.1
181.05115	7.4
185.06030	1.3
191.05663	4.1
191.07109	1.3
199.07663	1.6
201.05524	1.6
203.03496	17.1
203.07159	0.9
209.06003	1.0
227.07076	3.8
229.05023	1.6
235.06142	5.1
247.02498	2.2
255.10220	2.4
287.09216	3.6
339.12222	1.7
409.39871	0.9
447.09271	1.2
467.15372	6.6
479.15646	9.0
480.15817	1.3
511.14584	13.9
512.14752	1.9
519.18616	4.1
537.19666	1.6
563.17633	6.0
699.25250	1.4
743.23993	100.0
744.24414	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	743.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15395	1.0
58.00589	1.6
59.01378	94.5
60.13725	1.1
61.93036	1.1
67.01887	6.2
68.99815	32.3
69.03460	17.6
69.09225	3.2
69.09634	3.4
69.19906	1.0
71.01379	42.0
72.99312	1.4
73.02938	1.9
81.43265	1.0
83.01385	2.1
85.02945	10.8
87.00871	1.4
89.02444	39.8
93.03451	3.2
95.01369	4.9
95.05016	4.8
97.02939	4.8
98.13813	1.1
98.22659	2.5
99.00876	3.1
101.02438	60.9
107.05083	1.2
111.00923	1.1
113.02457	13.8
119.03493	15.3
119.04986	2.4
121.02937	4.2
123.04507	8.5
127.04028	7.4
131.03438	1.8
133.02942	1.7
135.04517	4.3
139.00363	1.7
139.04030	1.4
147.04517	9.0
149.02397	3.9
149.04570	1.7
149.06027	2.8
151.03987	1.2
153.05550	1.6
157.06580	1.1
159.04681	1.1
161.02431	3.3
161.04507	2.0
165.05502	2.2
169.12299	2.5
171.76343	1.1
173.04559	2.4
173.05988	2.4
175.04010	8.4
175.07611	4.4
179.03419	4.2
179.05629	6.3
181.05064	6.0
191.05598	3.9
191.07126	1.8
203.03497	17.7
203.07187	1.7
219.06578	1.3
225.05563	1.1
227.06995	1.6
233.04588	1.3
235.06094	3.6
241.10770	1.6
247.02434	1.9
255.10159	2.1
285.03864	1.1
287.09250	3.6
297.79123	1.1
357.13199	1.8
399.12753	1.5
425.71698	1.2
435.16605	1.5
467.15402	6.7
474.27228	1.2
479.15604	10.9
511.14481	14.1
519.18323	5.2
563.17340	5.2
619.30939	1.2
680.96716	1.5
743.23987	100.0
744.24359	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	743.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.8
57.03444	2.0
58.00595	1.7
59.01377	100.0
60.01736	1.1
61.98830	2.3
67.01886	2.1
67.91304	0.6
68.99813	17.2
69.00164	1.3
69.03455	21.9
69.23270	4.2
70.03777	0.7
71.01379	48.3
72.99268	3.4
73.02950	4.6
75.00899	0.7
79.01897	1.3
81.03478	1.4
83.01387	2.8
83.05041	0.8
85.02946	16.0
87.00892	3.1
89.02441	36.9
93.03474	4.5
95.01382	24.2
95.05037	1.0
96.95991	1.0
97.02948	31.4
98.22683	1.5
99.00905	1.0
101.02441	50.1
102.02773	1.0
103.01515	2.2
105.03435	1.0
107.05051	1.0
108.02174	2.0
109.02956	1.3
111.04507	3.8
113.02448	27.6
114.02819	1.2
119.03490	12.3
119.05030	1.4
121.02952	6.9
121.06630	1.4
123.04520	46.2
124.04817	1.4
125.02457	1.6
131.03511	1.6
133.02974	1.7
134.03766	1.0
135.04535	3.7
139.04033	6.8
141.01945	0.8
143.03499	5.6
147.04539	2.2
149.02429	3.9
149.04912	1.2
149.06108	5.7
151.04036	2.2
155.03497	64.0
156.03893	2.9
161.02420	2.2
161.04568	8.1
165.05573	3.0
167.07130	6.8
169.05043	1.4
173.04544	1.1
175.04044	1.8
179.03511	1.7
179.05609	6.4
181.05115	4.5
191.05589	2.6
191.07198	1.5
193.05069	8.0
193.08733	1.3
207.06601	2.2
209.08217	1.5
225.07678	11.2
233.08264	0.8
251.09256	3.8
259.08334	1.5
268.74951	0.8
269.10312	7.7
285.03998	0.9
329.12460	1.7
355.10492	0.8
373.11398	21.5
374.11688	1.2
413.14563	1.4
421.98373	0.8
457.13379	3.3
475.14532	11.7
476.14825	1.2
511.14871	3.9
512.15002	0.9
515.83264	0.7
517.15674	4.4
537.19720	2.3
563.17639	10.1
564.18158	2.0
587.20013	3.1
711.21185	1.8
743.24127	79.5
743.36975	10.4
744.24359	14.9
744.37738	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
57.03445	2.6
59.01377	32.6
61.98812	2.1
62.30774	0.6
67.01886	2.8
68.99815	22.7
69.03453	47.6
70.00158	0.9
70.03786	1.0
70.50939	1.1
71.01382	22.3
73.02941	9.2
75.00845	1.4
79.01903	1.1
81.03456	2.6
82.95395	2.1
83.01364	1.0
85.02949	15.4
87.00890	1.5
89.02441	15.1
92.43916	0.6
93.03455	13.1
95.01385	16.1
95.05032	1.2
96.96017	0.7
97.02947	56.2
98.03262	0.8
99.92598	0.7
101.02442	60.6
102.02755	1.0
105.03457	3.1
106.04239	0.7
108.02164	1.2
108.64206	0.6
109.02920	3.5
111.04578	0.8
113.02453	18.8
115.24706	0.6
116.92854	7.4
119.03496	5.8
119.04990	1.7
121.02956	6.6
121.06582	2.8
123.04523	23.7
125.02422	1.6
127.03989	1.2
131.03461	0.9
133.02960	2.0
134.03706	1.2
135.04482	2.3
137.02441	3.6
137.06111	0.6
139.03951	0.9
141.01938	3.6
143.03516	1.7
147.04555	2.0
149.02458	3.7
149.06078	13.1
150.06595	0.6
151.03981	1.3
155.03503	65.0
156.03833	1.5
161.02415	2.8
161.04616	3.3
163.03897	0.7
165.01891	1.3
165.05537	2.0
167.03539	0.9
167.07137	2.2
169.05051	4.3
170.38219	0.6
173.04530	0.8
179.03505	2.7
179.05667	1.3
179.07129	0.7
181.05052	2.1
191.05586	1.6
193.05054	20.6
194.05486	0.9
197.04561	6.2
210.71797	0.7
225.07637	3.5
227.05594	1.6
227.89815	0.7
239.05711	0.9
257.06668	2.5
285.03949	1.1
295.08322	0.8
309.09802	1.1
309.14743	0.7
317.08823	1.5
365.05051	0.7
387.12994	1.3
471.15228	5.8
479.15860	3.0
489.15915	0.7
511.14600	14.6
512.15326	1.1
549.16217	3.6
655.36908	0.8
743.24036	100.0
744.24384	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	743.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
59.01381	17.6
61.98841	1.0
67.01878	1.6
68.99813	1.7
69.03459	0.8
69.43945	2.5
71.01382	12.0
72.99297	0.8
73.02951	2.8
83.01388	0.9
85.02959	4.9
87.00861	2.8
89.02444	12.4
91.05572	0.6
93.03468	5.7
95.01430	0.8
96.96058	0.6
97.62679	0.6
98.22620	1.1
99.00888	0.8
99.04520	67.5
100.04868	1.1
101.02450	13.0
111.04523	1.2
113.02465	5.5
119.03505	4.1
119.05006	1.2
119.06496	0.7
123.04451	1.1
127.04037	2.7
127.89473	0.7
131.03494	0.8
134.03731	1.2
135.04480	0.8
143.03529	0.9
145.02940	0.9
149.04501	1.1
155.03497	2.7
161.04538	2.0
163.04033	1.3
173.04504	2.6
179.03574	0.7
179.05666	1.0
183.10269	1.0
191.05617	35.2
192.05907	2.2
193.05014	1.3
227.09270	1.6
263.11185	1.5
337.09308	5.1
345.15689	4.4
363.16592	100.0
364.16980	4.0
379.16122	2.2
419.40564	0.7
521.20203	1.2
743.23633	4.2
744.24561	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.6
63.20257	0.4
65.00324	0.7
67.01891	1.2
68.99817	1.8
69.03452	10.6
69.91644	1.1
71.01044	0.3
71.01375	2.1
72.00402	0.4
72.99294	1.0
83.01372	0.6
85.02951	0.5
89.02446	1.1
93.03463	1.7
95.05050	1.3
98.22658	0.6
101.02465	2.2
105.03465	1.2
107.01437	0.6
107.05017	1.4
108.02179	1.4
109.02963	0.8
113.02455	0.7
116.64531	0.4
118.22902	0.4
119.03602	0.4
119.16276	0.4
121.02947	1.6
121.06599	0.5
122.03631	0.4
123.03618	0.5
123.04524	8.3
123.08226	0.3
124.04889	0.4
129.01962	1.5
129.79636	0.4
132.10425	0.4
133.02960	2.6
133.06667	0.6
134.03792	0.5
135.04543	1.0
136.05051	0.4
147.03015	2.0
147.04428	0.5
149.02449	2.0
149.06087	0.5
150.03165	0.7
151.00372	3.1
151.04010	24.2
152.04311	1.1
153.05579	3.7
155.03444	0.4
158.13004	0.4
163.04056	0.4
165.05573	1.0
173.06078	0.9
175.04015	1.2
179.85992	0.4
183.06656	2.0
195.06604	1.2
199.04019	1.1
201.01920	0.4
203.07214	0.4
209.04558	1.5
211.04045	0.7
212.04808	0.5
221.08212	10.3
227.03690	0.5
227.05661	3.5
241.04990	0.7
256.03821	1.9
265.07166	4.3
284.03271	37.4
285.04041	84.3
286.04382	4.6
287.05545	1.5
288.05789	0.7
295.08145	1.0
297.09851	1.7
307.03604	0.5
327.05103	1.0
447.09314	100.0
448.09656	8.4
583.22015	0.6
641.53693	0.4
745.24750	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	745.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01709	0.6
61.98815	0.2
67.30460	0.2
73.25192	0.2
79.62832	0.2
103.01495	81.3
104.01839	0.3
234.54657	0.2
242.65765	0.2
249.39880	0.2
263.27301	0.2
481.15161	1.2
482.15848	0.3
495.16617	0.4
497.18140	0.4
540.16406	0.8
554.17938	0.3
555.18915	4.1
556.18707	0.3
572.15430	0.3
641.22516	1.3
659.23071	0.7
701.24652	3.2
702.24487	0.4
745.24554	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.3
57.03440	7.9
58.00596	2.6
59.01383	23.9
60.41202	2.3
61.98815	9.0
63.55931	2.1
67.01874	2.9
69.03445	2.2
69.11210	16.6
71.01385	16.3
73.02934	8.9
73.32642	2.6
77.44987	2.7
81.03468	2.7
83.01380	5.2
85.02962	13.1
87.00880	53.6
87.04517	17.6
88.30672	2.6
89.02419	7.4
97.02941	7.2
99.00877	11.6
99.49243	2.5
101.02451	13.3
111.00889	7.2
112.98820	9.1
113.02463	2.6
116.92860	4.9
121.02986	2.5
125.02440	3.8
129.01929	11.5
133.03011	3.1
135.04498	4.0
135.08144	3.6
137.02428	3.0
137.09753	15.2
138.03175	3.5
139.07669	5.2
142.99855	8.1
147.02986	13.6
149.02441	12.6
150.03197	9.8
151.00366	6.6
151.03943	3.5
151.11307	3.3
153.05615	2.8
155.09554	3.2
155.10789	59.8
161.01474	2.2
161.02478	23.9
163.03986	10.6
164.04782	25.7
165.01863	3.3
165.05559	16.1
166.02670	8.1
167.10925	3.0
173.00885	6.7
173.04488	3.0
174.01706	5.9
175.04016	3.3
176.04810	16.9
177.01909	2.8
177.05496	3.1
178.06328	2.7
179.03539	30.7
179.05663	2.9
179.07132	32.7
179.10759	6.1
181.05084	9.8
181.08699	6.6
190.02832	3.6
191.01929	14.4
191.03545	11.4
191.05547	11.0
191.07178	8.8
191.10765	4.0
192.04326	3.8
192.05972	3.4
193.08630	2.6
193.12251	3.7
194.05811	34.7
195.06584	7.0
195.10272	6.2
198.68230	2.1
199.09761	49.0
200.10106	3.3
203.03445	3.9
205.05020	9.6
205.81316	2.4
206.05849	3.9
207.02946	4.9
209.08215	30.1
219.03015	19.2
221.08284	3.4
222.05263	3.3
223.06230	3.1
225.11414	2.7
231.02965	8.8
234.05327	25.2
237.07625	6.2
241.10788	14.2
246.05440	12.4
249.07681	47.8
253.10753	3.6
261.07700	9.5
261.87772	2.6
265.07227	16.9
265.09613	2.8
283.11868	23.0
291.05615	3.0
291.08768	8.0
306.07413	7.5
309.09854	6.8
321.09778	100.0
322.10254	6.3
337.09430	4.8
339.10873	54.2
343.14014	40.6
368.64880	2.6
593.22290	6.4
683.25830	5.3
703.79877	3.0
727.24402	24.6
745.25549	95.9
746.25958	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	745.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
55.03702	0.5
55.11347	0.5
56.31977	0.5
57.03464	0.7
58.00595	1.2
59.01380	100.0
60.01715	1.0
61.98834	1.3
68.99818	0.9
71.01382	54.5
72.99313	1.5
73.02951	1.8
83.01402	1.9
85.02949	9.3
85.03392	0.7
87.00893	2.2
88.98811	0.8
89.02447	65.6
91.01919	2.2
93.03474	1.9
95.01387	3.6
96.96045	0.7
101.02446	28.9
102.02815	0.7
109.02956	2.9
113.02453	20.7
113.88293	0.5
119.03503	30.5
121.02962	2.6
122.03754	6.4
123.04570	1.2
125.02362	0.6
131.03522	3.6
133.02985	3.4
135.00902	2.4
135.04527	3.1
136.01711	1.3
143.03493	5.0
147.33919	0.5
149.02464	8.1
149.04509	2.6
150.03230	30.4
151.03951	1.7
153.01933	8.8
155.03558	0.6
160.01668	0.7
161.02452	10.9
161.04507	4.2
162.02905	0.9
164.04817	1.5
165.05576	25.5
166.02640	0.6
173.04623	0.6
177.05617	1.1
179.03596	2.5
179.05663	10.7
179.07123	1.3
180.04311	2.4
184.77893	0.5
191.05641	1.0
194.05865	0.8
195.06642	16.2
196.07039	0.9
209.08232	2.4
228.81847	0.5
240.07991	0.8
268.07602	1.7
280.07513	0.8
283.09766	0.7
296.06949	0.8
308.06958	2.1
309.07669	1.6
311.09253	1.4
322.08475	1.1
323.09424	2.9
324.10071	1.0
339.08728	10.6
340.09314	0.8
354.11078	4.3
369.13437	22.7
370.13925	2.4
373.12909	1.0
387.14603	1.1
447.13004	7.8
448.13519	0.9
496.76767	0.6
517.18774	6.8
518.19360	1.2
528.70044	0.5
535.19629	3.1
536.19507	0.9
547.21539	0.7
583.22168	2.2
709.26935	0.9
745.26624	3.0
746.27991	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	745.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	16.2
59.01651	1.0
61.98845	2.3
67.01909	1.5
68.99826	1.5
69.03462	1.5
69.19282	3.2
71.01385	8.8
73.02956	1.0
85.02970	2.4
86.03399	0.4
87.00906	0.7
87.39407	0.5
88.98794	0.6
89.02441	9.0
93.03459	6.0
93.20013	0.6
95.01417	1.4
95.05063	1.6
97.02962	0.7
101.02441	8.6
104.90737	0.4
105.03436	0.6
107.05015	0.6
108.02180	1.2
109.02936	1.3
111.00883	0.6
113.02464	3.9
119.03526	4.1
121.02960	10.5
121.06561	0.6
122.03747	19.9
123.00910	0.8
123.04587	1.2
125.02531	0.6
127.04000	2.9
129.27879	0.5
132.02151	0.8
133.02957	3.3
134.03711	1.2
135.04530	8.3
136.01656	14.6
137.02472	3.3
139.00381	0.9
139.04005	0.7
143.03566	1.1
145.02956	0.6
146.03691	0.7
147.04515	2.3
148.01627	0.8
149.02441	27.6
149.06067	1.3
150.03223	100.0
151.00380	3.2
151.04013	19.1
152.01122	1.7
152.04710	0.7
153.01848	0.6
160.05305	1.7
161.02420	2.8
161.04555	1.3
161.06042	1.2
162.03249	2.7
163.03992	2.8
164.04794	6.9
165.05565	92.8
166.02701	11.6
166.05876	3.7
167.03450	1.9
172.05348	1.7
175.04016	4.4
175.07614	0.9
176.04703	0.9
177.01897	0.9
177.05511	3.2
179.03476	1.7
179.05656	2.5
179.07004	0.7
180.04280	5.8
181.05069	16.7
182.05420	0.9
187.04060	0.6
188.04871	0.6
189.05574	3.8
190.06343	7.3
191.03668	0.8
191.05566	1.6
193.04996	0.6
195.06619	58.7
196.07042	2.8
203.27061	0.6
205.08681	1.2
209.08296	0.6
212.42743	0.5
221.08208	1.1
227.09250	2.7
252.04298	0.6
254.43983	0.5
266.05835	1.5
276.72559	0.5
279.06531	0.9
282.05252	1.7
297.07614	0.8
309.07684	0.6
314.07907	1.2
315.08603	1.9
324.09818	0.8
325.07013	0.7
325.10638	1.5
326.11771	0.7
327.08475	0.8
329.10382	3.2
339.08783	0.9
339.12402	1.2
340.13345	0.6
342.10989	2.0
349.06897	0.6
355.11600	1.1
356.12384	2.4
357.09641	2.7
357.13284	8.2
369.13370	3.2
372.12204	3.3
373.12823	1.3
386.13452	2.4
387.14487	42.7
388.14709	3.8
490.16388	1.2
505.18954	3.6
517.18457	0.9
521.19934	0.6
535.19739	60.9
536.20160	8.3
553.20953	1.0
565.20740	2.6
583.21844	38.2
584.22021	5.6
697.24524	1.8
745.26440	6.4
746.26428	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20311	1.1
58.00591	1.5
59.01376	100.0
61.98834	8.2
68.99817	2.8
69.03453	4.3
71.01380	56.6
71.85622	1.1
72.99347	1.4
83.01382	2.0
83.92682	1.2
84.28420	1.0
85.02950	9.6
87.00871	3.4
88.98824	2.2
89.02442	70.0
93.03449	4.0
95.01393	7.5
95.05051	1.8
96.95971	2.0
97.02971	1.1
101.02438	32.0
109.02974	1.3
113.02442	26.3
119.03497	28.6
121.02937	7.2
122.03748	10.9
123.04553	2.4
125.02462	1.3
131.03474	3.6
133.02951	4.0
135.04533	5.2
136.01671	9.5
137.02473	2.9
143.03496	4.8
143.57245	1.3
147.04524	1.4
149.02452	17.7
149.04514	3.1
150.03223	80.9
151.00372	1.8
151.04007	13.4
152.01160	1.3
153.01924	1.8
155.03505	10.9
160.01598	1.8
160.05251	1.4
161.02426	6.4
161.04533	5.2
163.03969	1.6
164.04764	3.4
165.05565	70.9
166.02759	6.3
166.05904	1.9
167.03456	1.3
173.04651	1.6
175.03992	2.3
177.05630	1.8
179.03493	2.2
179.05650	9.7
180.04269	5.3
181.05090	7.8
189.05670	1.6
190.06424	2.5
191.05647	3.1
192.05827	1.5
195.06627	54.1
196.06938	1.4
202.31580	1.2
207.06474	1.2
213.07570	1.2
240.07901	2.0
268.07529	1.5
295.05911	1.4
296.06860	2.4
308.06924	2.6
323.05603	1.5
323.09128	3.9
324.06366	2.6
324.09952	1.6
339.08765	12.6
339.12408	1.9
347.17068	1.6
348.17291	1.7
349.17508	1.4
354.11038	4.6
357.09634	2.1
357.13495	2.7
369.09531	4.7
369.13434	22.0
372.11935	1.4
387.09772	1.4
387.14499	19.8
388.14758	3.4
460.80222	1.3
505.18579	1.6
513.15460	1.6
535.19653	22.2
536.20068	3.7
565.20984	2.4
583.21875	20.2
584.22327	3.0
603.12207	1.3
707.29974	2.8
715.22205	2.3
745.25409	10.1
746.26129	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	746.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	23.0
59.90750	5.7
61.98833	100.0
67.60046	4.5
71.01377	15.2
73.02894	6.4
82.95399	6.8
85.02951	6.8
93.03455	5.9
95.01427	5.3
96.95993	13.6
97.02942	5.4
98.21765	11.0
101.02413	13.7
113.02482	8.5
116.92867	9.7
121.02951	7.2
124.08508	5.7
126.90588	6.1
133.02953	30.6
133.70671	5.3
134.03691	7.4
135.04530	29.8
136.01715	8.7
137.02470	7.5
149.02341	5.5
150.03226	5.8
161.02431	65.0
165.05632	6.1
173.04568	6.6
177.05557	6.9
178.02696	7.6
179.03516	41.6
181.22249	5.3
191.05534	17.6
211.13434	15.3
266.45956	6.7
269.04471	19.8
285.03946	14.9
323.07220	7.2
327.16119	9.9
329.13907	10.5
371.14856	23.0
383.09790	23.9
405.08884	5.6
417.18985	6.3
473.47076	5.7
535.13739	6.0
536.15442	52.6
557.06842	7.3
593.35590	7.5
678.94159	6.1
747.28723	24.5
747.41742	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	747.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41580	1.0
59.01382	77.8
67.01887	1.7
69.03457	48.2
70.02132	2.4
71.01383	34.4
72.99272	1.1
73.02953	1.5
83.01353	1.3
85.02937	6.3
87.00842	1.1
89.02447	41.9
93.03454	11.7
95.01400	2.6
95.05046	1.1
97.02950	61.1
101.02436	16.3
105.03475	3.8
113.02454	13.6
119.03516	12.6
119.04976	0.8
121.02979	1.2
121.06576	1.5
123.04528	12.6
141.01942	2.9
143.03532	1.7
149.04848	1.4
149.06076	21.3
150.06435	0.8
161.04524	1.7
167.07143	6.6
176.95198	0.8
179.05624	3.4
193.05061	37.8
194.05373	1.2
215.17061	0.9
290.93195	1.0
309.13754	0.8
323.43375	0.9
368.75528	0.9
373.11395	100.0
374.11584	4.7
386.57700	0.9
679.43976	1.1
730.82257	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	20.5
61.98832	6.2
68.99834	0.8
69.03457	3.6
70.49770	0.8
71.01380	11.1
72.99277	0.9
73.02949	1.7
76.00807	0.7
80.91705	0.8
81.03480	1.6
83.01435	1.1
85.02966	2.6
87.00879	1.8
88.98786	0.9
89.02443	9.2
93.03438	5.2
95.01410	2.0
95.05062	1.5
96.39923	0.8
97.02918	0.9
101.02439	6.4
106.04356	0.8
113.02448	4.2
117.03466	1.3
119.03487	4.0
119.05035	0.8
121.02947	18.5
122.03753	13.9
123.04546	2.1
125.02466	1.9
132.02101	1.1
133.02960	4.7
133.06596	5.7
134.03743	65.4
135.04489	4.7
136.01662	2.2
137.02475	4.0
139.03996	1.5
142.09279	0.8
145.75586	0.8
147.04504	1.2
149.01227	1.8
149.02441	28.2
149.06090	12.9
150.03227	100.0
151.03548	5.9
151.07668	2.6
152.03842	0.7
160.01610	0.9
161.02461	5.9
161.04604	1.6
163.04079	1.1
164.04797	5.0
165.05568	95.6
166.05907	6.3
175.04025	0.8
176.04581	1.1
177.05589	5.6
178.02722	23.8
179.03409	3.1
179.05614	2.7
179.07037	1.1
180.04303	7.0
181.05031	1.3
191.05560	1.5
193.05055	98.0
194.05518	4.8
195.06622	59.5
196.06932	3.6
205.06581	1.2
209.08093	1.2
221.06143	1.7
222.06726	0.9
233.06056	1.1
234.06888	1.7
235.07454	1.4
238.06145	1.0
239.07097	3.6
250.06303	4.0
251.07008	1.4
252.07712	0.9
253.08771	1.1
254.09555	1.0
267.06577	3.9
282.08966	12.7
283.09314	1.7
285.04034	1.4
297.07697	1.0
297.11301	0.8
311.09128	1.3
313.10596	0.9
326.08032	1.4
327.12299	1.2
341.10284	51.8
342.10587	5.6
357.11847	3.8
371.11224	1.9
373.43524	0.9
388.15054	1.4
389.12305	20.2
390.12378	1.9
503.15384	1.1
506.17682	2.2
521.20288	13.3
522.19940	0.9
523.88751	0.9
533.20190	13.8
534.20587	1.7
551.20807	1.5
585.22601	0.9
604.13513	0.8
681.25439	2.8
684.22870	1.1
699.26331	7.0
728.76459	0.8
729.26270	1.1
747.27209	8.0
747.39386	3.6
748.26062	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	747.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53479	0.9
59.01379	100.0
61.98827	1.1
69.38814	3.8
78.95906	1.1
96.82766	0.8
98.21823	1.6
152.99544	1.1
309.54614	0.9
455.17447	2.5
467.13538	1.1
468.10831	1.2
473.18185	4.9
483.13705	1.3
496.13959	2.1
512.13159	10.1
513.13599	1.8
526.14838	9.5
527.15564	3.6
569.16595	1.2
600.18585	1.4
601.19519	3.5
613.19312	1.6
614.20184	68.7
615.20313	14.3
632.17975	1.0
646.19214	1.9
687.22571	4.4
688.23376	1.3
747.25238	49.0
748.25330	10.0
751.69391	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72828	0.4
55.52383	0.4
56.34288	0.6
58.00572	0.5
59.01380	15.0
67.01896	0.7
68.99813	1.3
69.03452	6.1
71.01376	7.6
72.99306	1.6
73.02944	1.0
74.67300	0.5
85.02956	2.3
87.00886	0.6
87.04531	1.6
89.02454	5.2
89.23838	0.5
93.03460	1.1
95.01390	0.9
95.05037	1.4
97.02950	1.2
98.22603	1.4
99.04501	0.6
101.02467	4.1
105.03474	1.6
107.01403	1.0
107.05006	1.2
108.02179	1.9
109.02941	3.3
113.02468	2.3
116.92876	1.0
119.03514	2.0
121.02930	1.2
123.04522	5.3
125.02437	0.9
129.01929	1.0
131.01376	0.5
133.02917	0.8
134.03773	4.7
135.04526	100.0
136.04901	3.1
137.02435	10.4
137.06136	0.6
139.82709	0.5
143.03456	0.5
146.03853	0.4
147.02998	1.5
149.02412	0.8
149.06114	3.2
150.03203	0.9
151.00374	6.8
151.04007	12.9
152.04407	0.9
153.05602	3.6
154.05940	0.5
161.02377	0.7
163.11273	1.1
165.05591	1.3
179.03523	1.5
179.05682	1.1
181.12328	2.7
182.05754	0.6
183.06609	1.5
191.05637	1.1
195.06708	0.6
197.08206	0.8
201.11351	0.7
205.12257	0.7
209.04509	1.5
221.08167	4.1
225.11296	6.3
227.05635	2.0
227.12732	0.9
231.10222	1.5
242.04106	0.6
249.11340	1.5
263.12778	1.3
265.07080	1.6
284.03363	2.7
285.03961	7.3
286.04260	4.1
287.05588	11.5
288.05914	1.0
291.12369	3.2
297.09824	0.8
309.13376	1.2
330.63611	0.6
369.15479	2.4
447.09262	5.2
448.09488	3.3
449.10223	5.6
549.22113	1.3
567.20465	22.4
568.21307	2.3
599.98627	0.6
747.27386	22.9
748.27374	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	747.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	19.3
69.03465	0.6
69.88108	1.4
71.01381	9.2
73.02943	0.5
79.60932	0.4
83.01395	0.7
84.01038	0.5
85.02959	2.3
87.00878	4.4
89.02451	7.6
90.14883	0.5
91.05524	0.7
93.03455	2.2
95.01418	1.1
101.02448	3.2
107.04990	0.6
109.06586	13.4
113.02448	3.3
117.07105	0.6
119.03520	1.6
127.64869	0.5
133.14229	0.4
135.08163	54.1
136.08469	1.8
139.20070	0.4
148.11548	0.5
150.03188	1.0
153.09213	33.8
154.09550	1.2
160.01642	0.6
161.02435	0.7
165.05533	1.2
173.04562	1.1
179.05534	0.5
179.07140	0.7
185.11836	10.1
191.05536	0.8
197.08186	59.5
198.08542	2.1
271.09717	0.5
359.13452	100.0
359.16910	4.7
360.13885	6.4
497.74045	0.5
598.19220	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.3
59.01379	39.6
60.89349	1.8
61.85770	1.9
61.98830	50.1
67.01900	2.5
68.99821	3.4
69.57723	1.9
71.01382	24.6
72.01686	2.1
73.02940	3.3
83.01398	4.4
85.02975	10.1
89.02451	17.5
89.89449	1.7
93.03450	7.1
95.01391	4.5
96.96054	2.9
97.02936	2.4
99.00892	2.8
101.02460	18.2
108.02140	2.9
113.02464	10.4
119.03500	7.2
121.02993	9.1
122.03752	17.1
123.04594	4.8
133.02954	11.3
134.03680	4.5
135.04512	13.3
136.01640	3.6
137.02428	3.0
146.03719	5.6
149.02426	27.6
149.06075	3.1
150.03227	100.0
151.03673	7.2
155.03532	6.9
161.02440	32.2
161.04530	4.3
161.05905	2.6
162.03122	3.0
163.04080	3.1
164.04782	6.8
165.05569	93.1
166.05894	7.1
177.05481	2.7
179.03558	10.2
179.05635	2.8
179.07140	5.1
180.04262	8.5
181.04980	2.1
191.05630	7.0
195.06636	39.4
196.06960	3.6
264.39896	1.8
269.04501	19.3
270.04968	2.0
281.06506	2.0
313.10852	2.1
329.10236	3.1
343.11816	3.4
344.12723	3.5
357.13510	3.6
359.14929	9.5
371.14902	3.6
387.14554	2.2
389.14816	2.1
391.00208	1.9
395.47119	2.1
503.15408	4.1
506.17868	3.1
521.20355	26.3
522.21820	3.5
533.20172	26.3
537.20416	6.6
585.22937	5.5
646.27972	2.6
669.25684	5.0
681.25342	20.7
682.26080	3.8
699.26526	38.4
700.27295	6.5
711.21350	6.1
729.27191	2.8
747.28143	28.0
748.28229	4.1
749.37286	2.5
749.71533	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	747.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.3
59.01379	39.6
60.89349	1.8
61.85770	1.9
61.98830	50.1
67.01900	2.5
68.99821	3.4
69.57723	1.9
71.01382	24.6
72.01686	2.1
73.02940	3.3
83.01398	4.4
85.02975	10.1
89.02451	17.5
89.89449	1.7
93.03450	7.1
95.01391	4.5
96.96054	2.9
97.02936	2.4
99.00892	2.8
101.02460	18.2
108.02140	2.9
113.02464	10.4
119.03500	7.2
121.02993	9.1
122.03752	17.1
123.04594	4.8
133.02954	11.3
134.03680	4.5
135.04512	13.3
136.01640	3.6
137.02428	3.0
146.03719	5.6
149.02426	27.6
149.06075	3.1
150.03227	100.0
151.03673	7.2
155.03532	6.9
161.02440	32.2
161.04530	4.3
161.05905	2.6
162.03122	3.0
163.04080	3.1
164.04782	6.8
165.05569	93.1
166.05894	7.1
177.05481	2.7
179.03558	10.2
179.05635	2.8
179.07140	5.1
180.04262	8.5
181.04980	2.1
191.05630	7.0
195.06636	39.4
196.06960	3.6
264.39896	1.8
269.04501	19.3
270.04968	2.0
281.06506	2.0
313.10852	2.1
329.10236	3.1
343.11816	3.4
344.12723	3.5
357.13510	3.6
359.14929	9.5
371.14902	3.6
387.14554	2.2
389.14816	2.1
391.00208	1.9
395.47119	2.1
503.15408	4.1
506.17868	3.1
521.20355	26.3
522.21820	3.5
533.20172	26.3
537.20416	6.6
585.22937	5.5
646.27972	2.6
669.25684	5.0
681.25342	20.7
682.26080	3.8
699.26526	38.4
700.27295	6.5
711.21350	6.1
729.27191	2.8
747.28143	28.0
748.28229	4.1
749.37286	2.5
749.71533	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	748.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37132	0.3
59.01369	1.4
63.96225	0.6
64.97025	2.6
69.03455	0.9
71.01375	0.9
72.00906	3.7
79.95728	11.5
79.96199	0.6
80.96511	7.2
89.02448	0.7
95.97614	27.6
96.96046	0.4
101.02469	0.4
114.56610	0.3
118.06631	13.8
119.06975	0.5
120.01075	0.3
132.10971	0.3
135.04543	0.7
147.04527	14.8
148.04839	0.7
162.05591	0.7
164.07164	38.2
165.07545	1.6
178.93364	0.4
179.03433	0.5
182.02759	0.4
191.05685	0.4
198.02307	1.2
226.01738	1.9
227.82942	0.4
244.02831	100.0
245.03201	3.4
246.02403	0.4
266.01056	0.7
283.53336	0.4
370.25238	0.3
373.11237	0.5
375.13043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	11.8
62.37971	1.2
67.69295	1.5
69.21529	1.6
70.89200	2.4
101.72610	1.5
133.02888	2.0
147.31384	1.6
151.00368	3.1
179.50546	1.8
208.10634	1.7
284.03253	55.7
285.04034	100.0
286.04398	5.2
327.05530	1.7
597.53033	1.8
657.27692	1.6
685.32214	95.5
686.32562	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	749.251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78260	0.1
52.87178	0.2
57.03435	0.2
57.69366	0.1
59.01379	1.2
61.88207	0.2
63.20414	0.2
67.01859	0.2
71.01366	0.5
71.42879	0.2
72.78288	0.2
73.02950	0.3
81.03490	0.3
83.05032	0.3
85.02950	5.7
87.00867	1.3
88.96356	0.2
89.02446	0.2
93.03465	2.7
94.03783	0.3
99.04510	0.3
103.57829	0.2
109.02959	0.6
111.04511	0.7
125.02448	0.2
127.03999	1.5
133.02966	1.3
135.04549	1.6
137.02429	0.2
148.13644	0.2
160.04044	0.6
161.02457	1.6
171.03032	0.3
173.04533	1.1
177.01920	0.2
179.03519	0.9
189.29021	0.2
191.05615	100.0
192.05974	3.1
215.05614	0.4
243.41888	0.2
345.97464	0.2
351.07199	0.6
352.07535	0.3
353.08774	17.4
354.08969	1.0
366.08395	0.3
375.06879	0.2
465.73987	0.2
636.25348	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.5354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.4
61.98809	1.1
69.70277	0.5
101.30125	0.2
116.92879	0.4
120.76173	0.2
121.10223	2.9
162.87483	0.2
171.10263	7.6
177.16444	0.2
185.11810	0.3
231.21196	0.7
255.63402	0.2
275.20132	17.3
276.20465	0.9
293.21216	24.9
294.21527	1.4
377.28513	0.7
401.58368	0.3
407.29562	0.5
455.31644	100.0
456.31979	9.0
513.36243	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.5377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.7
61.64342	0.6
61.98825	1.1
70.10777	1.2
95.04993	0.7
96.96010	0.7
98.70435	0.6
99.00152	0.5
115.19172	0.5
116.92859	1.5
121.27627	0.6
123.73750	0.6
161.30885	0.6
179.14284	0.6
195.13889	6.5
196.14560	1.2
223.13388	4.7
256.13010	0.9
275.20044	3.6
293.21219	100.0
294.21524	4.8
295.44525	0.5
351.17035	0.9
455.31683	30.4
456.32065	2.7
483.37698	0.6
522.10980	0.6
523.07861	0.7
583.16815	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.4
60.76341	0.2
67.01897	0.3
69.03461	0.5
71.01389	0.8
73.02943	0.2
85.02947	5.9
87.00880	1.4
93.02926	0.3
93.03456	2.4
99.04470	0.3
101.02454	0.3
106.96589	0.2
109.02961	0.3
111.04522	0.9
112.48407	0.2
113.40821	0.2
127.03997	1.3
133.02942	1.0
134.03741	0.2
135.04549	1.7
143.03455	0.2
161.02408	2.2
171.03001	0.4
171.78049	0.2
173.04582	1.2
177.01920	0.4
179.03459	1.1
191.05611	100.0
192.05959	2.1
291.10638	0.2
306.87833	0.2
351.07156	0.4
352.07288	0.3
353.08755	15.6
354.09061	1.1
371.09796	0.2
375.07077	0.9
389.10806	0.3
435.20105	0.2
453.24756	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.266
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31563	0.2
55.00985	0.2
55.01878	0.6
57.03446	1.0
58.00586	0.4
59.01377	18.0
67.01894	0.4
69.03452	30.6
69.38278	1.1
70.03774	0.4
71.01378	8.4
71.76847	0.2
72.99316	0.3
73.02947	0.4
81.03454	1.2
83.01402	0.5
84.14779	0.3
85.02941	1.7
87.00869	1.9
89.02442	8.6
93.03463	0.9
95.01394	0.8
95.05025	15.3
95.97622	0.3
98.22670	0.3
99.04518	4.9
101.01794	0.3
101.02439	4.6
101.03089	0.3
107.05022	6.2
109.06597	1.3
113.02441	18.6
114.02793	0.3
114.83767	0.2
119.03490	3.0
125.06083	2.5
133.06596	1.0
134.03685	0.3
135.04486	1.2
143.03551	0.4
146.15138	0.2
151.07639	6.7
161.02411	0.3
161.04565	0.5
164.07204	0.6
165.07510	0.3
169.08699	11.4
170.09039	0.5
179.03514	1.0
179.05623	0.7
191.05603	1.0
195.06599	0.8
201.01675	0.4
213.07669	31.5
214.07967	1.2
214.82436	0.3
244.02806	1.4
245.03131	0.6
259.37991	0.2
337.69556	0.2
375.07510	4.1
375.12912	100.0
376.13251	6.8
416.64124	0.2
417.20605	0.3
426.52704	0.2
471.19336	0.3
507.49561	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.5
60.99310	0.3
61.98821	0.4
65.00323	0.8
65.96275	0.2
67.01881	0.9
67.09900	0.2
67.77681	0.2
69.03423	0.5
71.01379	1.3
72.99274	0.3
73.02962	0.6
78.75626	0.2
80.42860	0.3
82.95416	0.3
83.01392	0.9
85.02950	1.0
87.00869	1.1
89.02448	0.5
93.03463	6.4
96.96037	0.5
98.21755	0.4
99.90723	0.3
101.02447	1.0
107.01381	2.2
111.04543	0.7
113.02475	0.6
117.65369	0.3
117.85122	0.3
121.02952	0.3
132.02188	0.3
133.02953	10.2
134.03712	1.2
135.04535	2.4
137.02435	0.5
139.04057	0.3
149.02470	2.1
150.03177	0.6
151.00377	4.4
155.03503	0.4
161.02457	1.0
165.05493	0.5
173.04552	4.0
175.04016	2.7
177.01926	0.6
178.02705	0.6
179.03506	1.1
189.05652	0.3
191.05592	2.9
199.03978	2.1
201.01945	0.6
213.05582	0.3
215.03560	0.4
217.05048	1.5
223.04036	0.3
241.04953	0.7
243.03018	0.4
271.19315	0.3
271.44305	0.3
285.04047	100.0
286.04358	6.6
350.35724	0.3
449.14481	4.5
450.14954	0.4
467.15591	6.4
468.16083	0.8
617.36975	0.6
693.38580	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	753.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88393	0.6
59.01382	45.3
60.45780	0.8
61.47173	0.7
63.88064	0.6
69.03456	31.0
69.50191	2.0
69.50576	1.4
71.01385	19.2
83.01391	1.2
85.02943	4.4
87.00882	0.9
88.88809	0.7
89.01926	1.3
89.02448	19.6
93.03463	6.4
93.46394	0.7
95.01421	1.5
95.05019	0.9
97.02952	38.3
98.03313	0.9
98.27909	0.8
101.02448	10.4
105.03474	2.6
111.00835	0.8
113.02453	6.9
119.03501	7.0
121.06590	1.1
123.04528	9.8
125.78374	0.8
141.01959	1.0
143.03525	1.1
149.06100	13.6
167.07143	7.1
179.05635	3.4
193.05052	32.1
194.05405	1.0
211.06133	1.1
225.79375	0.7
373.11392	100.0
374.11658	5.9
379.15695	1.2
409.95996	1.0
437.06348	1.0
460.71390	0.7
637.84119	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96934	0.2
57.03455	0.3
57.04784	0.2
59.01371	1.5
60.99308	1.3
63.63159	0.2
65.03954	0.3
67.01885	4.0
69.03444	0.7
71.01379	1.9
73.02940	0.3
78.94351	0.2
81.03453	1.1
83.05031	1.1
85.02943	4.1
87.00874	5.3
88.98822	0.3
89.02451	0.4
93.03458	27.2
94.03795	0.5
99.00869	0.4
99.04534	0.4
107.12379	0.2
109.02926	0.2
111.04521	3.9
113.02435	0.5
117.03436	0.9
127.04055	1.4
129.01964	0.7
132.02185	0.2
134.03738	7.9
135.04076	0.3
137.02464	0.3
149.06075	0.8
155.03513	0.7
160.01640	0.4
171.02983	0.3
173.04549	10.0
174.04869	0.3
175.03973	0.7
178.02655	0.3
191.05608	100.0
192.05963	2.5
193.05049	5.0
194.05545	0.2
198.57104	0.2
229.60127	0.2
245.17105	0.2
367.10306	49.2
368.10660	3.5
385.10876	0.3
565.64685	0.2
692.47498	0.2
757.98053	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.5
61.78271	0.8
61.98822	2.0
65.61514	0.8
69.18833	4.9
71.01392	3.9
75.77800	0.7
80.90342	0.8
85.00446	3.7
85.02978	1.8
87.00880	9.0
89.02459	2.8
93.03451	6.9
95.01392	1.5
95.04236	0.8
95.04993	1.1
96.96023	9.4
101.02470	2.3
105.03450	1.2
108.02177	2.1
109.02977	2.0
113.02499	1.0
117.03459	0.8
121.02960	11.4
122.03748	18.5
123.04520	3.4
132.02174	2.3
133.02975	11.4
134.03772	7.5
135.04536	17.3
136.01648	1.6
137.02473	1.2
145.02945	5.0
146.03705	4.5
147.04549	6.7
149.02451	29.9
149.06090	9.6
149.67192	1.1
150.03227	100.0
151.03615	4.5
155.03539	1.0
159.04581	1.1
160.05270	1.1
161.02458	16.9
161.06105	3.6
162.03169	3.7
163.03989	1.0
164.04796	7.4
165.05566	92.9
166.05841	4.2
173.04462	1.5
177.01929	0.9
177.05551	6.6
178.06248	1.5
179.03505	16.9
179.07072	4.3
180.02867	0.9
180.04256	5.7
181.05099	1.8
191.05658	4.9
191.07141	1.0
193.05110	1.5
195.06619	42.1
196.07019	1.5
197.86343	1.0
209.11844	1.0
221.04437	6.3
251.05576	2.7
251.09225	1.2
255.06752	1.3
281.06726	5.8
285.04037	1.8
297.11093	1.0
298.08435	1.1
301.10953	1.3
313.07236	1.9
313.10748	1.8
316.09195	1.0
329.14014	1.1
331.11816	2.7
341.08725	3.2
343.11801	4.6
347.14862	3.4
361.16577	17.6
362.16998	1.1
366.71039	0.9
383.09808	1.1
415.17667	2.7
443.11868	5.2
455.72699	0.9
477.19186	1.3
479.20053	1.3
495.20676	1.0
509.21793	29.5
510.22214	1.3
521.21716	4.0
525.21576	1.3
531.33203	1.3
539.22595	7.1
547.21979	2.4
557.24078	8.3
563.22723	3.6
591.20715	3.7
593.23914	1.7
611.25037	4.0
657.27087	11.3
669.27106	2.0
687.27820	10.5
693.32996	1.3
699.28638	1.8
705.28857	12.5
706.29272	1.8
717.28015	3.1
735.30731	6.4
753.29633	6.7
766.67419	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
59.01074	1.9
59.01377	35.3
61.68018	1.4
66.05626	1.6
67.01883	9.3
68.99818	5.7
69.03451	3.8
71.01378	18.9
72.00533	1.4
73.02943	6.2
79.33862	1.6
83.01387	4.2
85.02954	11.4
87.00876	5.6
89.02441	15.4
93.03452	16.6
95.01359	3.0
95.05023	24.6
96.96015	6.4
97.02978	1.6
98.22665	3.9
98.95647	1.7
99.00882	3.0
101.02443	26.7
101.48218	1.5
102.02821	2.1
111.00867	4.7
111.04531	2.1
113.02439	7.6
115.00466	1.6
119.03492	5.0
119.05016	5.2
121.02938	5.4
127.04010	20.5
133.02931	2.2
134.03748	7.3
135.04462	2.5
139.00380	8.2
139.03983	5.4
161.02483	3.7
161.04500	2.0
163.04089	8.1
173.04510	6.2
179.03453	2.4
179.05598	1.8
183.10252	4.1
186.56442	1.7
191.05617	77.9
192.05881	3.7
193.04999	3.8
227.29124	1.6
241.07210	14.3
307.08487	3.6
314.36670	1.7
345.15506	16.2
346.16003	2.2
347.16956	1.8
363.16602	100.0
364.16974	8.6
365.17593	8.2
367.10373	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.99858	0.2
73.39139	0.2
151.00383	0.4
211.04002	0.3
239.03496	0.4
240.04410	0.7
267.03180	0.2
268.03757	15.1
269.04471	3.8
311.05667	0.3
527.94867	0.3
691.31177	13.6
692.31519	1.9
714.70026	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
57.03433	0.5
58.00579	0.4
59.01379	30.6
60.01722	0.4
60.99305	0.4
67.01890	0.8
69.03455	37.9
70.03796	0.7
70.51665	0.6
71.01382	15.8
72.99325	0.5
73.02939	1.3
73.84892	0.3
81.03471	2.0
83.01380	0.6
85.02940	4.2
87.00863	0.6
89.02443	15.0
91.57528	0.3
93.07074	0.3
93.98014	0.3
95.01394	1.3
95.05022	4.7
97.02950	1.3
98.22513	0.4
99.04522	3.1
101.02443	8.7
102.02783	0.5
105.03455	1.3
106.04224	0.4
107.05023	1.2
109.06612	0.4
113.02451	7.3
115.00340	0.8
119.03497	5.6
119.04945	0.3
121.02956	0.6
121.06590	7.5
123.04545	0.7
125.02507	0.3
125.06078	2.3
127.03996	0.5
131.03461	0.8
133.01404	0.8
133.02971	0.7
134.03723	0.6
135.04507	0.7
138.14117	0.3
139.00427	0.4
139.07632	1.4
143.03497	2.2
151.07642	12.7
161.02466	0.5
161.04553	1.4
163.03989	0.6
165.05540	0.4
169.08708	3.8
177.01857	0.4
179.03484	0.7
179.05620	1.0
191.05606	2.3
193.05060	1.1
195.06621	8.5
203.94405	0.3
213.07741	0.4
244.02849	0.4
344.81879	0.4
353.08554	0.4
373.11252	1.6
374.11575	0.9
375.12924	100.0
376.13309	4.8
537.12335	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75677	1.2
52.76799	1.3
57.03430	1.3
59.01383	8.4
61.98814	5.8
67.01879	5.2
68.99828	7.5
69.03071	1.9
69.03451	34.7
69.37070	3.3
69.37460	2.9
71.01385	7.3
72.99303	4.2
73.02933	1.7
81.03451	2.1
85.02962	6.5
87.00889	2.0
89.02449	2.5
93.03455	9.6
95.05014	5.1
96.96006	3.4
99.04520	3.0
101.02469	8.3
105.03452	3.3
107.05037	3.9
108.02177	5.4
109.02940	4.5
119.03455	1.6
121.02956	5.2
121.06595	3.1
123.04524	29.0
124.07688	2.9
127.03993	2.6
133.02950	6.0
133.06580	2.6
134.03757	1.5
135.04509	4.5
137.02391	1.5
149.02452	4.0
150.03207	1.7
151.04005	100.0
152.04370	3.2
152.07170	1.3
153.05544	11.2
161.02454	2.2
165.05539	3.4
173.04517	5.7
173.05936	3.3
177.01999	1.4
179.03477	2.2
183.06566	8.8
191.05611	45.7
192.05997	2.3
193.05061	2.1
195.06575	3.5
198.35815	1.6
206.51724	1.4
209.04556	6.7
221.08176	33.7
222.08487	2.0
227.05611	14.2
265.07220	16.7
284.03177	4.1
285.03964	11.3
297.09744	3.4
447.09341	10.9
458.11032	5.5
473.24948	1.4
756.27081	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	757.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
55.58727	0.5
57.03433	0.7
58.00585	0.8
59.01382	34.1
61.98843	0.6
67.01887	2.0
68.99818	45.6
69.03455	13.5
70.00155	0.6
71.01382	24.8
72.99301	0.8
73.02945	6.1
75.00861	1.1
81.03478	1.0
82.95421	0.8
83.01385	2.3
84.95116	3.3
85.02953	9.1
87.00869	1.3
88.98812	0.9
89.02444	22.8
93.03471	3.5
95.01389	27.6
95.04997	0.7
96.96012	2.0
97.02945	3.1
99.00900	0.9
99.04549	0.6
100.19202	0.4
101.02444	100.0
102.02768	1.4
108.02167	1.4
109.02954	1.5
111.00881	0.5
111.04507	0.6
111.38053	0.4
113.02451	14.3
114.02766	0.6
115.04016	0.7
119.03507	8.6
119.04970	0.5
121.02956	4.2
123.00899	0.8
123.04527	38.9
124.04814	1.1
125.02447	1.1
127.04015	1.1
131.03529	1.4
133.02972	3.4
134.03682	0.7
135.04550	2.8
136.01619	0.6
137.02454	1.3
137.06039	0.9
143.03506	4.7
147.04504	0.8
149.02464	4.3
149.06171	0.6
151.00351	0.6
151.03944	1.2
155.03505	84.2
156.03874	2.2
161.02464	10.1
161.04536	8.2
163.04008	0.6
165.05545	0.7
169.05077	5.1
175.04001	1.6
177.05455	0.5
179.03540	1.4
179.05608	6.1
181.05087	6.1
191.05571	1.0
193.04945	0.6
197.04562	4.7
205.04915	0.6
207.06667	1.2
223.06160	0.6
225.05566	1.0
225.07675	12.7
226.08054	0.6
227.05600	1.6
232.70575	0.5
257.06546	1.2
269.04456	0.8
285.03961	0.7
309.09821	4.0
317.08731	6.5
331.09674	0.4
369.11908	0.7
387.12909	1.7
458.98947	0.5
471.15082	17.4
472.15518	1.3
489.15988	1.0
525.16162	6.3
526.16650	1.0
563.17957	0.9
595.20148	2.8
624.40814	0.6
757.36450	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	757.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03439	1.4
58.00596	1.3
59.01377	100.0
60.01713	0.9
65.16853	0.3
67.01891	0.8
68.99427	0.6
68.99815	18.9
69.03455	5.6
71.01379	52.0
71.88689	0.3
72.99304	1.3
73.02955	1.6
83.01389	1.6
85.02945	7.6
87.00877	2.3
89.02443	62.1
90.02791	0.7
93.02076	0.3
93.03434	1.4
95.01388	4.1
97.02946	0.6
98.21853	0.5
99.00885	1.0
101.02442	46.0
102.02793	0.7
107.03527	0.3
113.01608	0.3
113.02448	19.6
119.03500	24.0
120.03857	0.6
121.02952	2.7
123.04485	0.7
125.02454	0.9
127.04014	0.9
129.01863	0.6
131.03508	2.6
135.04579	0.4
143.03510	5.4
145.02945	1.4
145.06618	0.3
146.03706	0.3
147.04492	0.9
149.02461	2.3
149.04538	2.6
149.06024	0.8
153.01955	0.7
153.05566	0.5
155.03470	1.2
157.02968	0.5
158.03719	0.4
161.02440	0.7
161.04564	4.4
161.05923	0.4
163.03923	0.6
173.02412	1.4
173.06041	0.7
174.03032	0.4
174.79369	0.3
177.05544	0.3
179.05608	13.7
180.05869	0.6
181.05070	6.2
189.05539	1.0
195.06607	0.4
199.03967	0.4
201.01888	0.4
201.05495	0.9
205.04985	1.2
217.05045	0.8
220.87804	0.3
233.04539	3.8
233.08188	1.1
251.09268	0.6
261.04105	1.5
261.07629	0.6
293.06854	0.5
313.10654	0.9
345.09546	0.4
413.14377	0.7
415.13425	0.6
467.15121	0.4
478.75385	0.3
493.17206	15.2
494.17554	1.6
525.16107	32.0
526.16223	2.4
545.16528	0.6
577.18890	1.1
595.20386	4.5
596.20020	0.9
725.22052	0.4
757.26239	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.7
57.03431	1.4
58.00595	1.6
58.58358	0.6
59.01377	100.0
61.37878	0.7
61.39393	0.6
61.98838	0.6
65.35284	0.6
67.01889	1.6
68.99432	1.3
68.99813	27.1
69.03452	8.3
69.21490	1.7
69.21897	2.0
71.01380	54.3
72.99315	1.9
73.02942	1.6
78.91909	0.8
83.01402	2.2
84.61441	0.7
85.02950	8.9
87.00879	2.6
89.02442	68.2
90.02772	0.8
93.03448	3.0
95.01382	3.6
96.96008	0.6
97.03019	1.4
99.00903	1.3
101.02443	68.2
102.02796	1.4
113.02449	24.9
119.03502	24.8
121.02953	4.1
121.06603	1.1
123.04571	1.0
125.02470	1.1
127.04047	2.7
131.03560	2.5
133.02989	0.8
135.04552	1.2
138.83904	0.6
143.03526	5.7
145.02986	1.8
147.04559	1.2
149.02423	4.9
149.04610	1.9
149.06059	1.4
151.00377	0.6
151.04013	0.6
153.01999	0.9
153.05566	4.4
155.03452	2.8
158.03789	1.0
161.02463	2.0
161.04605	4.7
161.05959	0.9
173.02493	2.0
173.04607	0.9
173.06107	1.2
175.04037	0.7
179.03416	1.0
179.03964	1.1
179.05609	14.4
179.07112	0.9
181.05048	9.9
189.05562	1.3
191.05629	1.2
193.05136	1.5
201.01924	0.7
201.05569	1.2
205.05096	1.6
217.05194	0.8
225.04155	0.9
233.04489	3.9
233.08354	1.5
251.09332	0.7
261.04169	2.9
261.07776	0.9
295.08249	1.1
313.10892	1.1
319.48679	0.7
401.14749	1.1
413.14682	1.0
493.17233	18.6
494.17734	2.3
501.39261	0.7
525.08124	1.6
525.16125	33.0
526.16553	3.7
543.05115	0.6
545.17352	0.8
563.17670	0.8
577.20276	0.7
595.20264	8.3
595.28632	0.8
596.20178	0.8
736.74542	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19762	0.3
54.30949	0.2
57.03430	0.4
59.01370	1.9
60.99300	1.1
65.03963	0.3
67.01891	3.7
68.99815	0.4
69.03450	0.9
69.98215	0.9
71.01384	1.8
73.28050	0.2
81.03452	1.2
83.05008	0.8
85.02943	4.4
87.00878	5.8
93.03459	26.8
94.03819	0.6
94.04611	0.3
95.05054	0.5
96.96020	0.7
99.00897	0.6
101.02454	0.8
102.45798	0.3
104.33305	0.3
109.02973	0.8
111.04517	3.6
113.02399	0.4
116.20670	0.3
117.03442	1.0
119.05048	0.4
119.54787	0.3
120.29656	0.3
127.03987	2.1
129.01942	0.8
131.93954	0.3
134.03740	7.6
143.03517	0.5
149.06039	0.9
149.47707	0.3
155.03479	1.1
160.01640	0.5
163.03986	0.5
173.04552	7.8
175.03993	0.7
191.05611	100.0
192.05956	2.9
193.05014	5.1
241.07214	0.5
286.73529	0.3
307.08588	0.9
345.89221	0.3
367.10318	36.8
368.10489	2.2
450.10739	0.3
479.14108	0.3
591.91748	0.3
712.81848	0.3
757.25128	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.0
59.01380	63.9
61.12399	1.4
61.98821	11.0
69.03448	1.9
71.01374	27.5
73.02966	2.7
78.98933	1.4
83.01369	2.1
85.02944	6.5
88.33588	1.6
88.98794	4.0
89.02446	19.9
93.03455	8.8
95.01385	3.6
96.95968	1.9
99.04523	24.2
101.02447	16.6
109.02974	2.2
111.04488	1.8
113.02446	10.5
117.03477	9.2
118.04247	1.9
119.03514	4.9
119.05022	69.5
120.05297	1.9
121.02964	4.6
126.26898	1.8
131.03516	1.7
131.05043	1.9
132.05785	4.7
133.02971	8.0
133.06601	24.1
134.03668	1.6
135.04510	5.6
145.02953	65.5
146.03392	2.1
147.04543	3.1
155.03532	2.7
159.04515	2.2
159.65904	1.6
161.02432	11.5
161.04785	1.2
161.06084	49.7
162.06374	4.0
163.04015	70.4
164.04324	2.7
165.05533	2.1
169.74956	1.7
173.04529	3.5
177.01941	1.7
177.05573	21.0
179.03426	3.7
179.05681	3.9
187.03957	2.4
189.12889	8.4
191.05614	5.2
205.05060	48.4
206.05356	1.8
207.06593	2.6
207.13892	45.1
211.07602	2.1
215.84547	1.6
218.04483	2.1
233.11775	2.5
235.06110	21.0
251.12878	76.0
252.13177	3.6
265.07126	47.2
266.07346	2.3
269.04446	3.2
269.13919	2.2
269.93405	1.9
285.03949	11.3
325.09317	17.4
348.36722	1.8
399.00507	1.7
431.09973	3.2
431.19199	67.9
432.19379	4.9
447.09113	6.0
577.22864	78.6
578.23352	11.4
595.23962	2.7
611.25970	10.9
757.29169	100.0
758.29486	13.0
763.54767	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	757.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39141	1.4
59.01373	6.0
61.98824	7.2
65.00329	8.8
69.30889	1.6
70.05894	3.2
73.35301	1.6
83.01418	2.9
107.01387	15.6
108.02168	4.6
109.02997	2.0
114.52768	1.5
122.98534	3.3
125.02459	12.2
133.02968	2.8
134.03758	15.6
135.04533	28.9
136.01649	7.8
136.07272	1.4
137.02571	1.7
147.04500	2.2
150.12914	1.4
151.00374	72.3
152.00821	3.1
153.02008	1.5
153.72903	1.6
164.01161	26.9
165.01872	4.5
167.03465	2.0
169.01375	1.7
174.03291	9.3
175.00368	7.7
175.03987	3.2
177.01932	5.0
185.02373	1.8
185.06076	2.1
188.04776	1.7
191.05652	2.2
193.01353	1.9
196.00122	6.9
198.03258	2.6
198.33522	1.6
199.04018	20.9
200.04572	2.0
201.01912	11.4
209.04504	1.9
213.05603	5.1
215.03505	3.6
217.05147	2.4
223.04048	3.0
240.04236	3.6
241.05055	12.9
242.05815	6.8
254.75981	1.6
255.02995	2.2
257.04715	7.6
258.05240	5.7
266.29343	1.8
269.04529	2.7
284.03308	2.7
285.04050	57.5
286.04782	31.3
287.05588	53.4
288.05951	4.7
299.05508	3.8
309.20624	5.0
416.90805	1.7
447.09192	6.2
448.10126	12.8
449.10687	5.4
469.22162	4.0
595.25470	100.0
596.25793	17.9
616.24487	2.3
757.30652	14.9
758.30731	3.2
778.83630	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	757.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	10.0
59.01372	10.0
61.98829	9.9
65.00319	17.7
67.40268	2.1
69.03483	4.1
69.27004	11.4
69.32370	2.2
71.01377	7.1
81.03459	7.6
82.95430	8.2
83.01384	14.7
84.95154	2.4
85.02936	3.4
87.00901	3.0
93.03454	4.5
96.95998	25.8
99.14706	2.3
101.02433	4.2
103.00376	2.1
103.01479	4.4
107.01395	23.2
109.02956	2.9
116.92840	4.7
122.76589	2.2
123.04521	34.1
125.02444	100.0
126.02787	3.0
131.01381	2.2
133.02969	4.6
134.03734	2.5
135.04518	7.5
137.02420	4.8
146.03725	3.1
149.02397	6.4
151.00371	80.6
152.01024	3.5
153.01839	3.9
155.03528	2.5
159.04527	3.5
160.05322	5.5
161.02502	4.6
165.01915	3.7
167.03496	72.6
167.07242	2.8
168.03838	3.6
169.01463	3.4
172.05293	14.1
173.04578	3.2
173.05983	3.6
174.06877	2.2
175.00372	13.9
177.01996	5.1
179.03517	5.9
180.61375	2.5
181.05049	3.5
185.06076	5.4
186.06865	3.2
187.03944	4.0
187.07623	3.0
188.04733	2.4
191.03542	12.0
191.05594	15.7
199.03981	5.8
205.01465	2.4
209.04503	3.2
231.06667	2.5
269.04553	7.4
283.02414	2.7
283.13385	63.0
284.03204	6.4
284.13770	6.0
285.04056	54.4
285.14896	2.5
286.04288	4.3
297.15039	3.1
299.16391	2.7
301.14413	26.5
303.16190	3.9
309.04034	19.0
310.04800	11.4
313.05539	2.6
315.15808	2.8
327.12531	12.7
329.08862	8.0
329.13885	5.6
331.06702	7.1
358.14404	4.2
371.15323	2.9
391.19232	3.1
400.15637	2.5
407.22458	5.1
409.20282	4.6
417.23071	3.9
427.21259	56.5
428.21524	6.9
435.14526	5.5
443.24326	5.8
447.10294	3.5
451.21695	3.4
453.15436	40.8
454.15881	4.5
469.22302	48.7
470.22522	7.7
577.24292	5.0
595.25446	93.0
596.25574	16.0
615.20850	16.7
619.24829	4.2
739.29321	4.8
757.30658	70.5
757.42242	4.5
758.30518	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	757.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	12.0
58.10853	1.8
59.01374	8.2
61.98820	6.7
65.00328	20.8
69.03445	2.2
70.68845	2.1
71.01398	4.4
71.41202	2.2
72.90891	1.7
79.95766	1.9
81.03457	5.5
82.95407	6.9
83.01385	16.2
84.95122	2.9
85.00358	1.7
89.02451	2.5
93.03428	3.9
96.96005	21.3
97.02966	2.2
98.07928	1.8
101.02454	5.4
107.01408	20.8
109.02940	1.9
121.02965	3.6
121.82977	2.1
123.04520	32.9
125.02448	100.0
126.02879	2.7
131.01334	3.6
133.03004	4.9
134.03772	3.5
135.04515	7.6
137.02423	5.2
146.03781	2.5
149.02422	4.9
151.00377	82.3
152.00876	3.0
155.03545	3.6
159.04506	5.5
160.05312	5.4
161.02475	4.4
165.01941	3.2
167.03493	68.9
168.03778	2.1
169.01431	3.0
172.05339	15.2
173.04611	3.1
173.06078	6.7
174.06848	2.8
175.00397	13.0
175.04018	3.0
177.01903	4.2
177.68950	2.4
179.03506	4.8
179.72110	1.8
185.06125	6.6
186.06947	2.6
187.03979	3.4
187.07610	3.1
189.05557	2.8
191.03668	12.5
191.05594	10.7
199.03882	4.9
209.04549	5.7
211.04095	2.0
213.05522	6.3
227.03444	3.9
255.02925	2.6
269.04596	5.0
283.13388	68.8
284.03229	4.2
284.13708	4.5
285.04050	48.2
285.15005	3.6
286.04520	4.3
297.14902	2.4
299.16589	5.1
301.14484	26.8
303.16180	3.2
309.04007	15.6
310.04727	12.2
311.12894	4.9
313.05817	3.7
315.15948	3.5
327.12396	15.0
327.15768	3.3
329.08554	3.1
329.14084	5.3
331.06699	5.7
369.13235	2.3
400.15283	2.9
417.22974	3.0
427.21216	52.8
428.21472	4.7
435.14343	2.4
443.24234	6.7
451.21298	3.1
453.15491	33.2
453.21652	2.7
454.15530	4.4
469.22351	50.2
470.22687	2.8
577.24640	3.1
595.25415	83.4
596.26007	12.0
615.21149	13.6
619.25549	5.8
699.38184	2.6
739.29590	5.5
757.30664	62.9
758.31110	14.0
769.04742	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	757.402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.1
57.03441	2.2
58.00592	0.8
59.01380	33.0
61.98828	8.4
64.06013	0.6
65.16741	0.6
68.99827	1.8
69.03449	1.2
71.01382	34.3
71.11668	0.7
71.43664	0.8
72.99307	1.5
73.02946	11.5
75.00858	1.1
76.97292	0.6
82.43708	0.7
82.44180	0.6
83.01388	5.6
83.05025	0.7
85.02953	15.5
87.00875	2.8
88.98790	1.0
89.02446	12.4
93.03470	2.1
95.01393	3.3
97.02956	2.1
99.00880	3.7
99.04524	5.7
101.02445	26.7
111.00973	0.9
111.04564	1.0
113.02456	9.9
114.02828	0.7
117.03474	1.9
118.04227	0.7
119.03561	3.6
119.05036	12.4
121.02956	1.3
125.02412	2.3
129.65469	0.6
132.05807	1.1
133.01396	0.6
133.02982	1.6
133.06575	3.4
135.04504	2.2
143.03531	1.5
145.02966	12.2
146.03311	0.6
147.04529	1.1
150.03236	1.0
155.03494	2.1
159.03078	1.4
159.04414	0.6
161.02466	3.8
161.04561	5.9
161.06076	6.8
163.04016	12.5
165.05565	0.9
169.66570	0.6
173.04529	1.3
177.05577	3.1
179.03450	1.9
181.04974	0.8
187.03897	1.2
189.12827	1.1
191.05612	5.0
195.06607	1.2
201.84550	0.6
205.05087	7.3
207.13925	8.5
209.11757	2.2
225.05472	1.4
227.12939	1.4
228.08440	0.7
233.04562	1.5
235.06090	2.4
237.05447	0.9
251.12848	11.6
252.13243	1.8
265.07181	9.9
269.04541	2.4
285.04031	2.5
294.07733	0.7
325.09375	3.2
329.39435	0.6
355.26141	0.7
373.27405	8.0
374.27649	0.8
384.08548	1.0
394.18945	0.6
399.10818	2.6
426.50995	0.7
431.19156	9.8
432.19427	1.0
454.74130	0.7
535.32965	6.3
536.33044	1.0
577.22736	10.5
578.23358	2.2
611.25391	1.1
697.38037	100.0
698.38348	19.3
757.29163	17.5
758.30084	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	759.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81093	1.3
55.80953	1.3
56.15704	1.2
59.01377	37.3
60.99298	3.4
61.98823	3.3
67.01884	2.6
68.23470	1.4
68.99801	6.2
69.03441	3.2
69.18108	7.9
71.01375	14.0
72.99239	1.1
73.02965	1.7
73.08588	1.2
81.03462	4.8
83.01375	8.7
85.02950	6.8
87.00886	2.0
88.98810	26.1
89.02443	15.3
93.03458	7.5
95.01415	1.6
96.96014	2.3
98.21869	2.8
101.02438	13.5
107.05025	2.6
109.02964	1.4
113.02430	6.7
119.03463	3.2
121.02975	2.7
122.91750	1.4
123.04526	7.3
124.91022	1.3
125.02449	6.0
127.03978	1.4
132.98239	1.4
135.04552	3.0
138.03273	2.9
146.03746	4.7
149.02454	2.0
150.03206	1.8
151.03978	2.5
153.05551	2.7
161.02547	3.0
163.03931	2.0
164.04744	2.6
166.02710	14.0
167.03522	10.0
171.04437	1.9
173.04536	9.4
173.05922	2.6
179.03522	5.1
179.05585	3.8
179.07172	4.8
191.03546	4.0
191.05618	12.2
192.04230	3.1
193.05038	6.9
195.06668	1.6
197.06099	2.7
203.03508	1.6
205.08679	1.7
208.03726	1.7
211.07626	1.4
213.05617	1.5
213.07639	3.7
227.07211	1.8
229.05156	3.0
229.08699	2.6
238.06558	1.7
239.06979	2.6
247.06418	1.3
253.08655	2.5
255.06609	6.4
255.08809	1.4
257.08081	1.4
259.05847	1.4
271.06033	1.8
273.07706	3.7
281.08215	3.7
297.07645	3.5
299.09406	2.0
313.10760	3.8
315.08704	10.9
325.07181	5.5
357.09732	76.6
358.10214	8.5
371.13474	5.2
375.13037	7.0
381.09695	13.6
399.10825	5.3
435.12628	2.2
461.14670	1.6
463.12390	1.4
477.14197	1.9
487.12393	2.6
495.15100	1.8
505.13742	8.2
519.07281	2.8
519.15106	62.8
520.15723	5.2
537.16058	100.0
538.16345	11.4
653.58765	1.4
667.18866	8.7
668.18933	2.2
699.21417	20.3
700.21429	2.7
759.31879	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.9
61.98811	1.9
68.99818	0.9
69.03454	0.7
69.16681	1.4
69.17086	2.6
70.47080	0.6
71.01384	4.2
73.02950	0.9
75.00870	1.2
77.03955	0.8
83.01368	0.9
85.02931	1.7
85.18514	0.6
86.00094	2.9
87.00874	2.4
87.38516	0.6
89.02444	2.9
89.03974	1.3
93.03447	1.2
95.05025	0.8
96.96015	3.4
99.00888	2.5
101.02435	4.1
103.36819	0.9
105.03439	1.3
107.05040	0.8
109.03002	1.6
113.02467	1.9
116.92867	2.4
117.03445	1.1
119.03507	0.7
119.05016	1.4
121.02945	3.5
123.00896	1.2
123.04525	1.5
124.01659	1.2
132.02153	4.8
133.02953	53.0
134.03767	13.9
135.04521	41.0
136.01649	1.2
136.04890	0.7
137.02448	10.3
138.03236	2.4
138.53238	0.7
138.82480	0.7
139.04005	2.2
147.04518	2.3
148.05292	5.1
149.02472	1.4
149.06091	8.6
150.03227	2.6
151.00381	1.5
151.03999	2.0
153.05563	1.2
160.01659	1.9
161.02435	100.0
162.02768	4.8
165.01923	24.9
165.05574	1.8
166.02701	4.4
173.04625	0.8
175.04002	5.3
176.04713	3.1
177.01952	2.2
177.05557	13.4
178.02719	10.1
178.04347	0.9
178.04836	0.9
179.03490	44.3
180.04271	14.6
181.05019	5.6
182.06989	0.6
191.05614	3.4
191.07133	2.5
192.04239	1.1
193.05037	15.1
194.05867	3.3
195.02910	1.0
195.06622	11.9
196.07005	0.8
203.03555	2.2
204.03951	0.9
205.05121	0.7
207.06564	3.0
209.08191	2.6
210.05287	2.5
211.06084	2.3
220.03766	3.0
221.04520	15.9
222.04846	0.9
223.93007	0.7
225.07671	1.6
235.06088	14.3
235.08217	1.2
247.05978	0.7
251.05556	5.6
252.06421	0.9
265.07074	4.1
269.04547	1.5
279.05194	1.0
280.05914	1.1
281.06647	17.0
282.06876	1.2
285.03897	2.8
286.04367	1.2
287.04361	0.7
295.08194	9.6
307.08118	1.6
323.07556	1.0
324.08347	0.9
340.07996	16.4
341.08679	7.0
355.10214	2.1
385.13013	0.8
387.14377	0.8
448.09183	0.8
449.10092	0.9
531.14948	0.8
532.15796	16.2
533.16223	2.5
544.25244	0.6
545.16119	1.4
580.25122	0.7
587.17554	5.5
605.18805	3.9
711.23169	0.9
741.24194	1.8
759.24945	52.3
760.25110	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	759.249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41671	0.7
58.49699	0.8
59.01108	1.1
59.01381	12.8
61.98810	2.0
65.91293	0.8
67.01907	4.5
68.99807	4.3
69.03445	3.8
71.01385	10.9
71.46243	1.0
73.02953	1.7
76.08658	0.8
81.03475	1.0
83.01369	1.3
85.02949	3.2
86.43041	0.9
87.00851	1.3
88.98799	1.2
89.02451	7.2
91.05548	0.9
93.03470	5.1
95.01387	6.6
95.05032	8.9
96.96023	1.5
97.02927	1.2
101.02448	11.6
103.15777	0.7
105.03507	1.6
108.02199	1.5
109.02958	2.1
111.00873	3.8
111.04559	1.4
113.02468	4.3
117.03456	1.9
119.03490	2.4
119.05052	1.3
121.02971	13.4
121.06554	1.1
122.03872	1.1
123.00911	1.4
123.04546	6.4
124.01616	1.0
125.02428	1.4
127.04021	7.8
132.02158	3.7
133.02969	38.1
134.03818	5.6
135.04539	38.8
136.01720	1.5
136.04851	2.2
137.02461	9.8
139.00378	5.3
139.04027	2.1
143.03513	0.9
147.04524	1.7
149.02458	2.3
149.06071	3.6
150.03169	2.1
151.03979	3.7
152.01166	1.9
153.05573	1.5
155.03522	27.6
159.04503	1.6
160.01721	1.8
161.02458	100.0
162.02904	4.3
163.04050	1.8
165.01953	15.3
165.05589	3.3
166.02654	1.9
167.03465	2.4
173.04607	4.8
173.05835	0.9
175.04079	3.9
176.04794	4.8
177.01917	2.1
177.05605	6.4
178.02710	1.3
178.04185	0.9
179.03503	35.2
179.05550	3.0
179.07037	1.8
180.04288	14.1
181.05009	3.2
183.81715	1.0
189.05606	1.7
191.05614	2.8
191.07120	2.0
192.04277	1.2
193.05034	2.8
194.05858	10.6
195.03058	1.2
195.06648	15.5
203.03583	2.0
207.06583	1.6
209.08208	10.5
210.05351	1.6
217.04977	1.3
220.03792	0.9
221.04547	5.0
223.06113	2.0
225.07683	2.0
235.06108	4.1
241.07219	4.7
263.05472	1.7
274.10037	0.8
323.07718	54.1
324.08054	2.0
337.09338	2.6
341.10098	1.2
371.09903	1.3
373.11340	2.2
387.10770	2.5
403.12415	2.9
408.91382	1.0
549.16125	63.5
550.16504	6.4
561.18250	23.7
562.18384	3.9
563.17670	3.0
597.19171	1.0
600.14197	1.1
727.21179	1.3
759.24829	29.8
760.25128	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	759.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25167	0.3
59.01382	1.6
60.99305	17.3
61.98819	1.0
68.99818	0.5
69.03444	0.2
71.01389	1.2
73.02938	0.3
75.00867	0.6
75.14621	0.2
83.01380	0.3
84.95134	0.3
85.02975	0.4
88.98808	100.0
89.02467	0.7
89.99143	1.1
96.96006	0.8
97.02947	0.3
101.02470	1.4
107.71777	0.3
111.00874	0.3
116.92857	0.4
119.03524	0.4
122.02448	0.2
123.04585	0.4
125.02481	0.3
126.62049	0.2
133.02937	1.7
134.03760	0.3
135.04518	2.6
137.02429	0.3
138.27441	0.3
148.33827	0.2
149.06139	0.3
150.03172	0.4
153.43100	0.3
155.03517	0.6
155.92645	0.3
161.02449	5.0
165.05498	0.3
167.03464	0.3
179.03485	1.5
191.05641	0.5
195.38239	0.2
209.68407	0.3
213.92857	0.3
269.04523	0.3
270.08856	0.5
283.13522	0.4
340.56650	0.3
462.15240	0.3
537.26862	0.7
625.05066	0.3
669.31323	9.2
670.31671	1.4
759.30573	2.2
760.31573	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	761.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.3
59.01382	43.0
62.33538	0.3
68.63346	0.4
69.03459	3.3
70.78520	0.4
71.01382	10.5
71.47137	0.4
73.02949	0.6
85.02964	2.9
87.00866	0.6
88.73360	0.4
89.02449	11.1
93.03458	1.3
95.01405	0.8
97.02957	4.0
101.02453	7.6
113.02452	3.9
119.03514	3.7
123.04532	1.4
131.53714	0.3
143.03456	0.4
149.06067	1.2
151.04001	0.4
162.29688	0.3
163.11290	21.6
164.11650	0.8
167.07120	0.7
179.05623	0.7
191.05592	2.9
193.05060	3.4
337.09244	0.4
373.11380	10.1
387.16608	100.0
388.16931	6.4
483.19226	0.4
652.67761	0.4
761.25128	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65994	0.9
59.01381	64.2
60.20757	1.0
69.03075	1.4
69.03455	28.1
69.31364	1.0
69.36961	2.0
69.37345	2.3
71.01384	24.1
77.68429	1.0
83.01369	1.3
84.39862	1.0
85.02944	5.3
87.00867	1.1
88.23433	1.0
89.01924	2.1
89.02442	26.3
93.03455	6.1
95.01386	2.3
97.02950	35.6
101.02441	11.3
103.05460	1.0
105.03480	2.2
109.61596	0.9
110.74115	0.9
113.02446	8.0
119.03504	9.8
121.06544	2.0
123.04520	8.6
131.03442	1.2
138.18317	1.0
141.01958	1.2
149.04948	1.6
149.06081	13.0
157.75337	0.9
161.04501	2.5
163.11270	12.9
167.07126	4.6
179.05630	2.8
193.05052	29.8
261.70102	1.1
373.11383	100.0
374.11728	6.5
387.16595	48.0
387.20911	1.0
388.17038	3.3
498.74817	1.0
514.28888	1.5
628.31097	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25961	0.4
59.01377	5.6
61.15809	0.4
63.75461	0.4
63.76374	0.4
67.01891	22.6
67.99487	0.4
68.99819	18.4
69.03454	4.0
69.52914	0.4
71.01400	2.0
71.44710	0.5
73.02943	1.1
81.03448	7.8
87.00926	0.4
89.02439	4.1
95.05028	100.0
96.05368	2.3
96.96001	0.9
97.02952	3.9
99.00876	1.7
99.04507	0.9
101.02441	36.7
102.02784	0.5
111.00884	10.5
111.04510	1.2
112.01652	1.2
113.02449	0.4
119.03551	0.5
121.02966	13.3
121.06611	0.7
123.04528	3.8
125.02448	15.5
127.04014	66.5
128.04367	1.9
131.03523	0.5
133.05495	0.4
137.06143	0.5
139.00374	27.9
139.04010	18.0
139.05104	0.8
140.00711	0.7
143.03528	0.6
147.04550	1.0
149.02486	1.7
149.04559	4.0
151.07645	1.9
161.04314	0.4
165.05565	6.5
167.07124	0.9
171.02974	1.1
177.05486	0.6
191.05620	1.5
195.06592	2.5
197.08229	0.8
209.04559	3.6
223.06023	0.4
231.52728	0.4
241.07173	48.2
242.07524	2.3
273.09766	0.9
274.61395	0.4
293.08865	0.7
297.10956	0.4
368.26672	0.4
461.86179	0.5
489.16125	12.7
490.16498	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70766	0.9
59.01380	41.2
61.98821	2.6
63.87597	0.9
69.03462	1.4
69.17395	4.4
71.01379	18.7
72.09879	0.9
73.02937	6.6
83.01389	1.4
85.02960	3.7
87.00889	1.3
88.98808	1.0
89.02440	13.9
93.03458	1.2
95.01392	2.0
95.05007	1.7
96.96012	4.0
101.02454	8.3
108.02132	0.9
109.02930	1.1
113.02439	6.6
116.92912	1.0
119.03498	3.8
123.86802	0.8
125.02392	1.0
134.03749	2.5
135.04501	2.8
136.01631	1.5
148.57735	0.9
149.02443	1.2
149.06180	1.0
150.03218	1.5
161.02393	4.3
163.11259	5.6
164.04875	1.0
165.05629	1.5
168.25781	0.9
169.78876	0.9
178.02650	1.5
179.03470	2.6
179.05605	1.7
181.12344	48.2
182.12561	1.3
183.10242	1.7
187.10896	0.8
187.13445	1.2
191.05580	3.6
193.05104	4.5
207.10321	1.3
225.11331	100.0
226.11635	4.4
243.12508	1.7
269.04520	3.6
275.84314	0.9
285.04056	1.2
323.07559	1.3
343.70709	0.9
349.18695	3.5
405.17661	55.2
406.17990	3.6
441.87146	0.9
583.23932	27.6
584.24280	2.8
667.55396	1.1
763.30292	45.6
764.30725	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	763.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.0
59.01378	62.3
60.01734	1.4
61.91087	1.1
62.61242	1.2
69.03458	3.2
69.26958	2.5
69.27364	5.2
71.01382	31.4
72.99344	1.2
73.02925	7.4
83.01394	2.6
85.02956	10.1
87.04512	6.0
89.02441	23.2
90.54201	1.3
93.03439	2.2
95.01405	1.6
95.05050	5.5
96.96026	2.8
97.02983	4.3
99.04566	1.8
101.02444	16.7
113.02448	10.8
115.60953	1.4
119.03506	8.5
121.02923	1.7
121.06599	1.5
122.03698	6.6
123.04548	5.7
133.02943	6.6
134.03728	1.9
135.04527	4.1
135.08148	2.4
137.06151	2.4
143.03465	1.7
146.03758	4.3
149.02449	2.2
149.06157	1.8
150.03227	61.1
151.03860	6.3
151.07675	1.4
161.02429	16.6
161.04541	2.2
162.02756	1.4
163.11276	6.1
164.04803	2.7
165.01913	3.4
165.05568	95.0
166.02785	2.8
166.05949	4.1
175.07675	1.8
177.12878	1.3
179.03545	3.7
179.05620	4.9
179.07179	5.6
180.04335	4.7
181.05086	5.0
181.12376	12.6
187.11281	1.4
191.05638	2.7
195.06580	10.7
201.12965	1.4
205.12413	3.0
207.10190	2.4
213.07751	3.4
219.14021	2.7
221.11783	2.8
225.11322	24.2
226.11656	1.4
231.10292	7.0
248.24130	1.3
249.11295	10.1
263.12766	6.1
267.12485	2.4
291.12436	14.5
309.13638	4.7
323.07800	4.4
345.15561	4.1
357.13437	2.3
369.15555	12.3
373.11652	1.3
375.12915	1.4
390.12558	1.4
405.15033	1.4
421.15225	3.9
468.22159	1.3
489.20480	1.5
519.15179	3.9
549.22266	3.2
583.23907	100.0
584.24335	7.6
763.30542	63.0
764.30725	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	763.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.8
61.98813	1.4
65.49232	0.7
69.11207	3.0
69.11612	1.3
74.51916	0.8
81.95689	0.6
82.78885	0.7
89.40417	0.6
97.06604	0.8
102.22289	0.7
118.16417	0.6
121.10252	7.1
121.84729	0.6
125.09715	3.2
141.12834	0.8
148.74274	0.7
157.58595	0.7
185.11832	9.1
197.11804	1.9
273.18753	0.9
291.19659	100.0
292.19928	6.6
368.34329	0.8
389.16315	1.9
471.34787	95.6
472.35107	12.0
621.34479	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.0
57.15960	1.8
59.01378	75.2
61.98826	19.6
69.03433	2.1
71.01382	43.9
72.99296	2.0
73.02942	5.1
79.46458	1.8
83.01373	3.5
85.02947	12.5
87.00845	3.4
88.23434	1.8
88.98782	3.0
89.02445	29.5
94.84151	1.8
94.98073	6.0
95.01382	3.9
96.96001	6.8
99.00887	2.5
101.02451	25.6
109.02971	2.6
113.02464	11.7
119.03503	9.7
122.02457	1.8
133.02982	3.7
135.04520	4.9
137.02467	1.8
161.02379	8.8
165.12842	9.3
173.04468	2.3
179.03288	1.9
183.13809	2.5
188.68130	1.8
191.05603	5.4
211.13287	1.8
226.18123	6.6
263.20032	2.6
269.04477	7.5
270.04779	3.2
283.13354	3.1
285.03998	7.3
286.04327	2.9
327.21664	2.6
357.49564	2.2
432.22308	3.1
584.34399	100.0
585.34558	12.1
764.40753	68.3
765.41046	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	765.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	39.9
67.01892	0.8
69.03455	25.2
70.37902	0.5
71.01380	20.6
85.02952	3.0
87.00874	1.2
89.02441	21.4
90.58552	0.5
93.03446	6.9
95.01404	1.2
95.05033	0.7
97.02953	31.7
98.22669	1.1
101.02455	10.7
105.03455	1.8
113.02448	7.6
119.03510	8.4
119.04928	0.7
121.02962	1.0
121.06570	1.6
123.04520	5.9
123.08206	1.3
131.03484	0.6
139.79776	0.4
141.01947	1.4
143.03474	0.5
149.06079	11.6
161.04543	1.2
162.92601	0.4
167.07137	3.9
179.05620	2.7
191.05664	1.1
193.05063	25.4
196.39867	0.5
211.05952	0.6
263.52423	0.5
347.13507	1.2
373.11386	100.0
374.11810	2.5
378.43207	0.5
391.12390	11.9
391.16928	0.8
392.12939	0.6
525.54315	0.5
537.96155	0.5
542.83350	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
59.01378	27.8
61.98825	2.3
69.03459	1.5
69.09709	1.4
69.10115	3.3
71.01381	17.9
71.01777	0.9
72.99326	0.8
73.02955	1.1
73.47954	0.7
81.03463	1.0
83.01413	1.0
83.05016	1.0
85.02934	8.0
87.00888	1.5
89.02448	14.3
93.03458	35.5
94.03825	0.7
95.01379	1.1
95.68156	0.6
96.96008	1.0
99.00873	1.1
99.04513	1.9
101.02441	8.7
109.02982	1.8
111.00858	1.4
111.04525	9.5
113.02454	4.8
119.03477	4.6
127.04015	2.2
133.02951	3.2
135.04506	3.1
136.11388	0.7
137.02469	8.5
149.02380	1.1
150.03241	2.6
153.01929	0.7
155.03511	7.9
161.02432	8.0
161.13354	7.6
164.04855	0.7
165.05563	2.5
173.04549	100.0
174.04932	2.6
175.07549	0.8
179.03456	1.9
179.05623	1.4
187.11267	1.0
191.05612	50.6
192.05994	1.4
194.17542	0.7
195.06657	1.1
199.09689	0.6
205.12321	16.2
220.66716	0.6
241.48894	0.7
249.11319	8.5
269.04385	0.7
330.20700	0.7
335.07623	0.9
343.11862	0.8
353.08649	1.3
373.12912	1.2
379.17661	1.3
385.18619	1.1
423.16599	31.9
424.16919	3.1
429.17627	7.8
430.17938	1.0
521.17865	1.0
569.19403	0.7
585.19891	8.2
586.19861	1.6
603.22937	89.7
604.23334	11.1
765.26031	21.0
766.26648	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	765.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98114	0.4
54.98452	0.4
55.01867	0.7
58.00580	0.5
59.01379	44.8
60.01711	0.8
65.79298	0.4
67.01888	1.0
69.03454	26.7
69.12138	0.7
69.12543	2.3
70.03790	0.8
71.01383	24.1
72.99298	0.7
73.02946	0.5
82.95418	2.6
83.01376	1.0
85.02948	4.1
86.90627	0.4
87.00870	1.3
89.02444	25.1
93.03465	6.4
95.01394	1.7
95.05039	0.6
97.02953	38.9
98.03272	1.0
98.22778	0.4
101.02446	11.7
105.03434	3.3
105.07126	0.5
113.02446	8.5
119.03504	7.8
119.05022	0.7
121.02955	1.4
121.06587	2.5
123.04532	8.6
131.03502	0.8
141.01950	1.5
143.03537	0.6
147.04510	0.7
149.06073	14.4
150.06468	0.7
161.04543	1.3
167.07138	5.9
179.05641	3.6
191.05574	1.2
193.05058	30.1
194.05403	1.5
232.32445	0.4
242.00961	0.4
274.68649	0.4
347.13507	0.7
373.11383	100.0
374.11716	6.4
391.12256	3.5
391.15955	0.6
515.98846	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.1
69.09997	1.9
69.10402	0.6
71.01384	9.7
72.83595	0.3
73.02936	1.6
83.01390	0.9
85.02950	2.3
87.00881	0.9
89.02444	10.8
95.01432	0.7
96.96005	1.3
97.02937	1.1
99.00874	0.9
99.04520	83.6
100.04852	1.6
101.02441	6.6
113.02439	5.0
119.03490	4.6
123.04585	0.4
131.03526	0.4
149.04501	0.6
159.03012	0.5
161.04579	2.4
163.04016	0.4
166.62781	0.4
167.07057	0.6
179.05582	1.0
183.10199	0.8
191.05692	0.6
193.04958	0.4
255.05629	0.5
256.01831	0.4
263.11349	3.2
307.08521	2.0
345.15546	7.0
346.15900	0.5
363.16602	100.0
364.16949	9.0
670.95660	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27364	0.6
59.01386	0.8
60.99010	1.3
60.99308	18.8
61.98823	2.6
67.71247	0.7
71.01373	1.2
71.46265	0.7
85.00442	1.9
87.00877	2.5
88.00400	1.2
88.98808	100.0
89.02442	52.1
89.08906	0.6
101.97353	0.7
263.35202	0.7
277.21683	1.5
397.13412	3.6
415.14481	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	7.2
61.98802	7.6
62.36141	5.0
69.65781	10.2
78.16708	7.5
78.95911	26.5
96.83460	6.8
98.21891	8.2
99.51157	5.7
110.89915	5.5
142.44957	5.4
145.51613	5.3
152.99602	35.7
154.65100	5.3
175.94765	5.1
179.18076	5.2
190.41928	5.3
285.71936	5.2
295.22668	12.0
296.59482	5.2
318.65823	6.4
397.95865	6.0
423.32684	36.3
431.21912	12.6
469.33163	100.0
545.11218	5.7
594.02478	6.5
602.36292	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	767.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
57.03451	1.1
58.00591	1.5
59.01380	90.4
60.01688	0.8
61.98830	7.1
66.92001	0.6
68.99829	0.9
69.03448	1.7
71.01382	54.5
72.99303	2.1
73.02951	16.6
74.97672	0.7
75.00867	1.1
79.95742	1.2
81.03461	1.1
82.95421	1.7
83.01383	3.7
85.02958	12.3
87.00903	1.5
89.02447	49.4
90.02791	0.9
90.68206	0.7
90.80247	0.6
92.77723	0.7
93.03482	1.1
95.01395	3.3
96.96016	27.4
97.02972	2.2
98.95617	0.9
99.00884	28.7
99.92589	1.6
101.01785	1.5
101.02448	26.9
108.02186	1.4
108.26903	0.9
109.02955	1.7
113.02455	12.2
115.04044	1.0
116.92868	3.1
119.03522	6.9
119.05052	0.8
121.02937	1.8
122.02574	0.9
125.02461	3.6
126.90328	1.1
131.03513	5.5
133.02936	2.3
135.04550	3.2
137.02469	1.7
143.03462	0.7
149.04573	4.6
150.03171	1.2
151.00420	0.9
152.01166	1.8
155.03537	1.6
161.02452	5.6
161.04550	2.3
161.07939	0.8
170.77054	0.7
171.18520	0.8
173.04581	1.1
179.03511	2.8
191.05629	10.0
195.06766	0.9
211.13495	2.7
285.04114	3.5
293.08853	0.9
411.07880	1.0
429.10284	5.7
497.20258	0.9
543.31519	1.4
567.24060	0.9
587.30768	100.0
588.31067	13.0
697.28143	0.8
767.37170	79.9
768.37598	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	768.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.7
57.03442	2.4
59.01376	25.8
59.61713	0.7
61.98829	63.6
65.01823	0.8
68.15804	0.8
69.03445	3.1
69.12357	5.0
71.01011	1.3
71.01379	20.0
72.97526	0.7
72.99309	1.1
73.02946	10.6
74.27798	0.7
75.22683	0.7
81.03454	0.9
82.41761	0.7
82.95410	2.5
83.01384	6.9
85.02949	13.6
86.00091	1.8
87.00867	2.1
89.02436	3.7
93.03430	1.5
95.01375	2.2
96.96008	2.1
99.00891	4.0
101.02440	28.8
111.00874	2.0
113.02430	8.9
116.92816	1.3
119.03509	1.5
125.02562	0.8
133.02977	2.8
135.04507	6.3
137.02377	1.1
138.03206	1.0
150.03162	1.0
159.02901	1.3
161.02454	11.2
161.04550	1.3
162.02788	0.9
165.05434	1.1
173.04610	1.3
177.05475	1.0
179.03488	4.2
185.06078	0.8
185.11806	1.6
191.05611	4.3
197.04524	1.0
211.13359	1.5
283.32074	0.8
285.03983	1.0
289.07849	0.7
313.64069	0.8
347.17087	100.0
348.17432	8.4
607.16876	1.2
608.07684	0.9
705.29688	66.6
706.30060	11.5
768.29163	1.6
769.19543	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	769.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.4
59.91819	0.3
61.98836	1.2
62.91299	0.4
68.58450	0.4
71.01392	2.3
73.02932	0.5
82.95415	0.5
84.95110	0.4
85.02957	1.2
89.02449	1.6
89.04025	0.4
93.03462	0.6
96.96011	1.0
98.22653	0.9
99.00796	0.3
101.02441	1.4
103.01514	4.6
105.03466	0.6
107.05035	1.1
109.02934	0.6
110.96899	0.3
113.02437	0.8
115.84895	0.3
117.03474	1.3
119.05077	0.4
121.02995	0.4
121.05045	0.5
123.04506	0.4
132.02188	1.9
132.33127	0.3
133.02963	30.9
134.03760	4.1
135.04532	51.2
136.04834	1.2
137.02435	0.6
146.03729	0.5
159.04518	0.9
161.02452	100.0
161.06021	3.7
162.02782	3.2
165.05623	0.5
173.04594	0.7
177.05630	0.5
178.02713	0.4
179.03505	32.4
180.03886	1.0
191.05598	1.2
203.07133	0.5
205.05034	3.3
221.04489	0.5
221.08192	0.4
241.42690	0.4
265.07407	0.5
274.78302	0.4
300.84164	0.4
309.03412	0.4
330.99283	0.4
427.12479	7.8
428.12741	0.4
445.13562	13.2
446.14136	0.5
574.55194	0.4
589.15472	3.9
607.16669	23.8
608.17419	1.8
769.19897	43.4
770.20087	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	769.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78130	0.3
59.01375	9.2
61.98833	2.7
63.57293	0.4
71.01369	2.6
73.02962	0.5
81.03479	0.4
82.95414	0.7
85.02958	0.9
87.00869	0.4
89.02441	1.5
93.03460	0.5
96.96021	1.4
98.22631	0.7
99.93448	0.3
101.02448	1.0
103.00391	0.7
103.01486	4.1
105.03476	0.6
107.05026	1.2
109.02953	1.0
112.40056	0.3
113.02466	0.8
116.92847	0.4
117.03477	0.9
119.03526	0.6
121.05126	0.4
132.02151	1.8
133.02953	29.4
134.03767	3.7
135.04521	47.1
136.04887	1.3
137.02441	0.7
139.19746	0.4
146.03709	0.4
150.03238	1.0
159.04567	0.8
161.02437	100.0
161.06018	4.1
162.02722	2.5
165.05588	0.5
173.04526	0.5
175.03931	0.4
179.03490	30.6
180.03957	1.1
182.87425	0.3
191.05643	1.1
193.05031	0.6
203.07053	0.5
205.05009	3.1
221.04533	0.6
224.24049	0.3
265.07098	0.6
269.04510	0.5
285.03897	0.4
343.03683	0.4
427.12485	7.4
445.13464	12.8
446.13940	1.0
477.60297	0.4
589.15601	4.3
590.15411	0.5
607.16626	22.3
608.16913	1.6
703.52527	0.5
769.19775	42.2
770.20166	5.4
773.92395	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
56.24895	0.9
58.00584	1.0
59.01378	54.0
60.01686	1.0
64.87244	0.8
67.01887	2.8
69.03455	53.8
71.01009	1.7
71.01378	27.1
73.02946	1.2
79.01860	0.9
85.02951	7.0
87.00854	2.6
88.64759	1.0
89.01922	1.7
89.02440	23.1
91.59551	1.0
93.03459	12.3
95.01373	4.4
95.05029	1.0
97.02950	84.4
98.03322	0.9
101.02440	10.4
105.03460	5.4
109.85867	0.9
113.02449	10.3
119.03510	6.8
119.05003	2.3
121.02933	3.1
121.06555	1.9
123.04526	31.9
125.02244	2.7
125.88997	0.9
134.03717	3.5
135.04454	1.2
137.02238	1.8
141.01918	21.5
145.02695	2.3
149.06070	15.9
151.03801	6.1
161.02463	1.3
161.04587	1.3
163.00177	6.8
163.03796	9.3
167.07098	3.5
171.04236	5.0
179.05591	2.1
183.02782	1.6
189.01691	6.2
189.05368	2.1
191.05580	6.6
193.05054	21.0
194.05363	1.0
215.03258	6.4
231.06345	1.1
233.04213	3.5
337.09195	1.7
349.09387	1.0
373.06696	1.6
373.11401	32.0
374.11630	2.6
375.11826	1.0
395.09555	100.0
396.09879	4.8
422.02740	1.0
767.71838	1.1
769.21667	81.3
770.22321	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	769.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26343	0.3
57.03436	0.6
59.01380	2.0
60.99300	1.5
67.01884	4.5
68.99824	0.3
69.03446	1.3
69.25405	0.3
71.01388	2.3
71.43598	0.4
73.02934	0.7
81.03439	0.8
83.05034	0.8
85.02954	4.8
87.00875	6.1
89.02442	0.5
93.03459	25.3
94.03789	0.6
95.05017	0.4
97.02951	0.5
99.00883	0.7
99.04518	0.7
101.02452	0.7
109.02956	0.6
111.04524	3.5
113.02460	0.6
115.03999	0.4
117.03463	0.8
127.04018	1.4
129.01953	0.6
134.03740	8.1
137.02463	0.5
143.03517	0.3
149.06064	0.8
155.03485	0.8
160.01772	0.3
161.02460	0.5
163.03935	0.6
173.04550	9.1
175.03993	0.6
178.02744	0.4
191.05612	100.0
192.05968	1.8
193.05025	4.8
213.41440	0.3
241.07359	0.5
270.64529	0.3
307.08783	0.4
365.18155	1.0
366.18472	0.7
367.10315	43.2
368.10645	2.8
488.72678	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.4
69.03473	1.0
71.01383	3.9
71.23181	0.6
73.16521	0.4
79.25685	0.5
79.95737	0.5
80.96542	0.6
85.02955	1.1
85.06598	0.6
89.02444	4.7
91.54366	0.5
94.39775	0.5
95.97625	0.9
101.02448	3.1
105.03448	0.8
108.22543	0.5
113.02462	1.0
117.03432	0.6
119.03483	1.7
119.04951	0.8
131.07126	1.8
131.83385	0.6
132.02164	0.6
133.02959	21.1
134.03777	0.5
135.04532	11.5
145.85516	0.5
151.03967	0.8
151.06151	1.3
154.48334	0.5
155.82666	0.5
161.02441	85.5
162.02782	2.1
163.03935	0.7
164.07208	1.3
177.01944	1.2
177.05611	1.2
179.03488	10.9
182.19078	0.5
185.78354	0.5
191.05603	1.0
192.49380	0.6
195.06569	0.7
221.04538	1.4
244.02812	2.4
251.05530	1.0
266.00983	1.2
281.06589	1.6
293.12531	4.1
323.13422	1.5
375.12927	1.4
408.23373	0.6
428.11447	0.6
443.19363	1.0
445.13443	1.5
475.14548	100.0
476.14941	4.1
678.73865	0.6
769.22205	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01113	0.6
59.01380	8.2
62.95007	0.4
63.09304	0.3
66.58791	0.3
69.03472	0.6
69.66409	1.1
70.02289	0.3
71.01392	4.6
79.95738	0.3
85.02958	1.0
85.06586	0.6
89.02450	3.4
95.01343	0.4
95.97632	0.9
96.96003	0.4
98.22601	0.7
101.02431	3.2
109.78056	0.3
113.02441	1.5
114.18698	0.4
117.03458	0.7
119.03489	1.4
119.05003	0.5
131.07150	2.1
132.02112	0.7
133.02960	19.4
134.03746	0.5
135.04527	11.5
149.06056	0.5
151.04056	1.2
151.06137	1.4
151.07399	0.5
152.03960	0.4
161.02444	80.7
162.02818	1.7
163.03984	0.5
164.07166	1.1
177.01953	0.9
177.05554	1.0
179.03493	11.6
191.05643	0.8
213.81749	0.3
221.04562	1.6
221.08218	0.4
244.02902	1.9
245.03052	0.5
251.05614	0.9
264.35934	0.4
266.01053	0.5
281.06573	1.6
293.12396	5.7
323.07660	0.5
323.13361	0.8
341.08609	0.4
375.12939	0.6
415.18597	0.4
445.13428	1.5
467.24210	0.3
475.14542	100.0
476.14859	5.3
769.23083	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87385	0.1
54.52780	0.1
56.55914	0.1
59.01373	0.6
59.98434	0.1
61.98826	100.0
71.01383	0.4
71.43899	0.1
73.02906	0.1
85.02955	0.2
89.02460	0.3
96.96013	0.6
97.22668	0.1
98.95573	0.1
101.02443	0.3
113.02489	0.1
133.02959	0.2
133.06635	0.2
135.04584	0.2
159.64099	0.1
161.02464	0.3
179.03517	0.1
191.05661	0.1
227.60988	0.1
269.04660	0.2
285.04190	0.3
294.54828	0.1
426.53339	0.1
464.10815	0.1
770.24127	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60534	0.4
59.01375	0.7
61.98830	9.1
63.02407	1.1
65.00346	1.1
83.01396	0.9
107.01375	1.8
121.02965	0.6
127.30981	0.3
128.03564	0.4
131.54955	0.3
133.02950	3.7
134.03766	0.5
149.02448	1.3
151.00377	4.1
169.06635	0.6
175.03987	2.4
183.04532	0.6
185.06119	0.5
195.04489	0.4
197.06122	0.5
198.03212	0.7
199.03989	1.5
201.01996	0.7
211.04018	0.9
213.05479	0.5
214.02605	0.4
215.03606	0.5
217.05060	0.7
227.03494	1.1
228.04283	0.5
239.03537	0.7
241.05035	1.1
255.02747	0.7
256.03796	2.8
267.02972	0.5
283.02441	0.9
284.03259	54.5
285.04025	100.0
286.04367	5.5
327.05167	1.4
617.18042	0.4
707.30670	81.2
708.31195	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	771.1768
Annotation	Kaempferol 3-(6'''-caffeylglucosyl)-(1->2)-galactoside
Peak:m/z	Relative Intensity
54.41563	0.2
56.99517	0.2
59.01365	0.5
61.33926	0.2
63.02399	0.6
65.00323	0.3
82.84639	0.3
83.01391	0.6
85.02944	2.3
94.33407	0.3
101.02443	1.6
107.01388	1.0
109.02952	0.3
117.03490	0.3
129.01936	7.5
133.02942	2.5
134.03735	3.3
135.04503	1.5
147.02994	0.5
149.02446	0.7
149.06084	0.4
151.00352	3.2
161.02374	0.6
175.03990	1.0
178.02783	0.3
191.03700	0.3
191.05582	0.6
193.05052	3.4
197.06165	0.3
199.03946	1.1
211.03993	0.4
213.05598	0.5
213.25136	0.3
217.05023	0.5
227.03571	0.5
241.04922	0.4
256.03784	1.8
257.04306	0.4
284.03256	40.4
285.04028	91.2
286.04367	4.3
287.05551	0.6
323.07892	1.2
327.05176	1.3
447.09293	100.0
448.09628	6.3
508.38007	0.3
529.23450	0.4
574.56812	0.3
771.23834	0.3
789.81384	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4539
Annotation	Linckoside A
Peak:m/z	Relative Intensity
55.01883	1.7
57.31197	1.3
59.01376	15.1
60.99290	1.7
61.98819	4.3
69.83378	5.1
71.01376	10.8
73.02949	8.6
79.54655	1.4
85.02949	7.5
89.02425	2.2
96.96036	2.0
99.00864	3.3
101.02454	6.9
111.44180	1.3
113.02486	2.5
125.02424	1.9
151.00354	2.2
172.65231	1.6
191.05591	3.9
269.04492	1.7
285.04086	4.3
367.28494	1.5
621.40393	2.8
639.41846	1.7
753.44250	5.7
771.45300	100.0
772.45691	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	771.5182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35107	1.9
61.98818	8.3
69.18389	5.9
69.18796	5.6
86.56754	1.9
91.37305	1.8
92.92802	66.4
93.03445	1.9
95.05021	3.0
119.90466	2.4
125.98006	2.0
163.18645	2.0
246.12338	2.8
273.88077	2.0
278.11356	7.0
293.21152	7.7
315.19342	3.3
366.39716	2.4
455.31671	100.0
456.32019	6.3
771.51843	56.7
772.52429	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	772.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
65.00328	2.0
66.19135	0.2
69.25526	1.0
76.41456	0.2
78.95929	0.2
83.01404	0.6
93.03448	0.2
98.22587	0.5
107.01381	2.4
109.02969	0.3
116.21503	0.2
118.75183	0.2
125.02454	0.3
135.04526	6.6
149.02460	0.3
151.00368	12.5
152.00800	0.3
161.02625	0.3
165.02026	0.2
165.03529	0.2
175.00383	0.7
211.02847	0.2
214.81491	0.2
287.05606	25.1
288.06125	1.0
329.06802	0.2
362.34384	0.2
573.26471	0.3
709.32263	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	772.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34440	29.3
59.01370	100.0
61.98819	83.0
62.12898	22.5
70.46532	38.5
71.07529	23.4
86.03235	25.2
116.92857	47.4
135.37271	27.4
139.24757	27.2
148.45966	29.0
152.99692	27.9
174.32791	24.4
249.55029	29.7
281.43427	30.2
296.00955	26.4
366.28674	27.9
394.19855	30.4
767.11859	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.7
59.01377	33.0
59.09633	0.4
69.03453	45.9
71.01379	16.1
71.45074	0.5
72.99316	0.8
73.02918	0.6
83.01378	1.3
85.02963	3.6
87.00856	1.3
89.02443	16.7
93.03445	1.6
95.01401	1.1
95.05019	19.9
101.02434	10.4
106.04240	0.6
113.02440	6.5
115.64419	0.5
119.03491	5.4
119.04973	0.7
121.06607	7.8
129.07074	1.6
130.31992	0.5
131.03465	0.7
132.05827	0.8
137.02425	0.5
139.04012	3.2
140.66576	0.5
143.03474	0.9
145.06557	0.6
147.08157	5.7
161.04549	1.4
164.28757	0.5
165.09195	11.0
179.05606	1.9
183.10167	0.5
191.05585	1.1
191.07127	14.5
193.04990	0.5
194.05873	0.7
197.04492	0.8
209.08153	1.1
239.72769	0.6
247.30019	0.6
253.07019	0.8
271.95306	0.5
284.11383	1.7
371.13434	100.0
372.13727	3.0
377.98740	0.5
415.12463	22.9
416.12674	0.9
551.17627	3.4
623.18384	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	43.2
69.24833	3.7
69.25237	2.3
71.01377	17.6
73.02924	1.0
75.48824	1.0
83.01389	1.3
85.02957	5.3
89.02444	15.0
95.01395	2.0
99.04517	16.0
101.02435	11.0
104.05257	0.9
109.02925	1.9
113.02439	5.6
118.73202	1.1
119.03494	5.4
123.04542	1.3
133.02953	25.9
134.03786	7.0
135.04526	81.8
136.04865	2.1
137.02431	2.1
148.05304	2.3
149.06075	16.2
151.00352	1.2
158.53267	0.9
161.02446	100.0
162.02803	3.0
177.05580	30.5
178.02684	2.0
178.05919	1.3
179.03499	99.2
180.03842	3.3
189.12900	4.6
191.05553	1.7
203.03462	1.9
207.13902	25.2
208.14127	1.4
219.19894	1.1
221.04543	44.4
222.04881	1.5
226.10344	0.9
233.04514	1.3
233.11957	1.3
241.37141	1.1
251.05620	26.8
251.12885	43.6
252.05847	1.7
252.13235	2.3
281.06674	43.7
282.07013	2.6
285.04623	1.1
323.07605	1.9
341.08780	30.9
342.09073	2.2
368.40707	0.9
431.19211	25.4
432.19678	2.4
481.13766	1.0
549.23218	1.4
593.22363	77.7
594.23004	11.3
611.25446	25.4
612.25623	2.5
773.28754	76.4
774.28888	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	773.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	38.7
61.98828	2.1
68.99813	2.7
69.03442	3.1
69.16433	5.1
69.16838	1.6
71.01379	15.2
72.99324	1.4
75.00879	1.4
81.03454	2.9
83.01391	1.4
85.02950	3.6
87.00902	1.2
89.02444	11.1
93.03461	4.4
95.01421	1.6
95.19917	1.0
97.02985	1.2
99.04511	4.6
101.02434	11.4
109.02964	2.8
113.02455	4.9
119.03492	3.7
119.05035	1.0
121.02965	2.2
121.06611	1.2
122.92312	0.9
123.04585	2.3
125.02448	5.9
131.03493	1.1
133.02959	13.6
134.03777	7.3
135.04529	100.0
136.04866	2.0
137.02441	8.0
143.03525	1.7
147.04510	1.1
148.05283	2.3
149.02412	1.9
149.06102	13.0
150.77303	0.8
151.00378	4.1
151.03925	1.2
153.05560	3.7
159.04488	1.6
160.01677	1.1
161.02451	68.0
162.02811	2.2
165.01878	0.8
165.12859	1.3
165.34180	1.0
173.04460	1.1
174.53137	0.9
177.05559	31.5
178.02704	1.2
178.05911	1.2
179.03502	69.8
179.05547	4.4
180.03879	2.0
189.05655	2.0
189.12883	1.3
191.05603	4.0
193.05107	1.5
195.06577	1.3
196.44846	1.2
203.03502	1.8
207.13919	4.0
209.11821	11.8
221.04539	41.1
225.15027	2.0
233.04533	1.1
233.35732	1.1
242.75745	1.0
251.05603	11.5
251.12868	3.3
269.04584	1.7
269.13916	18.9
281.06665	31.0
282.06882	1.7
285.03983	3.1
323.07529	5.1
341.08609	7.4
355.10703	1.3
357.12219	1.4
359.26724	1.0
383.09811	6.0
413.10916	2.0
431.09641	1.5
431.19058	2.2
443.11969	24.5
444.12064	1.2
449.20511	7.3
481.13220	1.2
493.97763	1.1
503.14017	6.3
593.22046	10.5
611.14111	3.2
611.23303	37.0
612.23547	2.7
713.23511	2.6
714.23596	1.4
773.28851	64.7
774.29449	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	773.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.2
57.06458	0.8
59.01377	49.0
60.84992	0.9
61.98812	0.9
62.62498	0.9
69.03455	1.1
69.09311	0.9
69.09705	0.9
71.01014	1.3
71.01385	20.8
73.02934	1.3
75.00865	1.7
76.55297	0.9
83.01392	1.4
85.02959	4.5
86.24773	1.1
87.00898	0.9
88.98787	6.0
89.02441	16.2
93.03445	1.5
95.01376	1.2
99.04505	13.3
101.02441	9.4
109.02925	2.4
111.04529	1.4
113.02470	6.2
119.03499	5.8
126.53799	1.0
132.02150	2.2
133.02953	27.9
134.03732	6.4
135.04524	89.6
136.04813	3.3
137.02409	2.6
148.05278	1.9
149.06070	17.4
150.03273	1.0
151.00334	2.5
159.04526	1.1
161.02441	98.6
162.02786	2.9
165.05574	2.5
173.04517	1.0
177.05571	34.3
178.02663	1.4
178.06006	1.2
179.03491	100.0
180.03845	3.5
183.02075	1.0
189.12836	4.4
191.05568	2.3
200.48404	0.8
203.03537	2.3
207.13884	24.0
209.11905	1.6
221.04530	45.3
222.04839	1.5
233.04643	1.9
251.05597	24.0
251.12878	35.8
281.06671	43.1
282.06955	2.0
285.04013	1.3
323.07791	2.7
341.08701	27.1
342.08972	1.4
385.11307	1.4
431.19189	26.2
432.19473	2.4
449.20267	1.0
593.22388	71.2
594.22644	8.6
611.25494	22.6
612.26050	2.1
773.28723	70.5
774.28918	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	773.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	1.6
65.68616	0.2
69.28804	0.5
69.29192	0.4
71.01402	0.3
78.60587	0.2
78.95903	1.3
79.95734	3.4
94.92471	0.6
96.92217	1.4
96.96011	100.0
97.46172	0.2
97.77232	0.2
97.95896	0.2
118.96629	0.3
142.11162	0.2
269.04514	0.2
277.21753	0.5
285.04114	0.2
361.04480	0.5
397.13449	0.3
399.76193	0.2
415.14569	0.3
435.08139	0.8
453.09543	1.5
593.26849	0.3
713.30371	1.9
714.30737	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13321	1.0
59.01385	7.3
60.99304	1.1
61.02335	0.9
61.98823	4.1
69.03451	1.3
69.57710	3.4
71.01380	3.5
73.02943	1.2
73.36728	1.2
82.95411	2.7
84.95065	1.0
85.02958	22.2
87.00874	5.5
93.03461	15.2
93.80660	0.9
95.01355	1.0
96.09930	0.8
96.96000	4.0
97.02929	1.1
99.04512	1.8
99.92599	1.0
101.02451	2.2
104.95071	1.4
107.01406	1.1
109.02951	2.4
111.04523	3.9
116.92870	5.0
117.11723	0.8
123.04522	1.2
125.02417	1.7
126.50299	1.0
127.04017	3.0
129.01926	1.2
134.03802	1.5
135.04500	2.6
151.00395	1.5
155.03458	1.3
159.04509	1.1
161.02504	1.6
161.06056	0.9
171.03067	1.2
172.05272	4.4
173.04559	7.7
179.03545	2.0
181.57715	0.9
184.51765	1.0
185.06036	1.8
191.05617	100.0
192.05933	3.8
197.06036	3.1
198.03180	2.7
198.06865	2.2
199.03966	1.7
199.07492	1.0
200.04507	1.3
209.06082	1.6
211.07664	3.8
211.13327	4.7
214.06448	1.0
225.05530	1.8
225.09283	1.2
226.02869	1.0
227.03444	3.4
233.06598	1.7
237.05623	1.8
237.09160	1.2
238.06381	1.1
240.04256	2.0
241.05014	1.5
241.12515	1.2
242.05719	1.9
251.07196	0.9
253.05109	4.6
254.05682	1.6
267.06299	1.2
269.04346	1.5
277.04913	1.6
277.18567	1.1
281.04529	4.0
282.05014	1.0
284.03241	1.1
285.04034	4.0
307.13388	2.4
325.14468	2.3
326.15286	2.3
327.12411	1.7
329.13647	1.3
351.12225	1.2
354.14441	1.0
369.13373	2.0
370.14093	3.8
371.14694	1.6
372.15588	1.2
409.16513	3.7
429.27972	1.0
437.15936	1.7
442.39902	1.0
447.09244	1.6
447.24820	1.2
465.26227	1.2
473.26822	1.3
491.28110	2.1
493.25528	1.2
509.29279	1.5
519.27423	1.8
535.26685	1.4
537.29022	8.5
538.28735	1.4
539.26392	12.5
540.26746	1.5
544.19299	6.1
553.27844	1.7
555.29517	3.1
563.26611	12.8
581.27533	84.0
582.27802	13.6
664.06757	1.2
727.25610	1.3
755.32849	21.9
756.33105	4.7
773.33282	4.5
779.45245	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.0
61.98824	1.3
67.01884	0.8
67.36713	0.5
69.03481	0.8
71.01379	6.9
71.45856	0.6
71.46217	0.5
73.02941	1.1
80.74138	0.5
82.95424	1.0
83.01359	0.6
83.05013	0.6
85.02953	12.5
87.00878	2.4
89.02453	3.3
91.65702	0.6
93.03442	4.7
95.01369	1.2
96.96007	1.3
101.02438	2.6
108.02204	0.5
109.02962	1.0
111.04532	1.4
113.02428	1.3
116.92834	0.8
119.03505	0.9
121.02966	5.2
123.04583	1.1
125.02514	0.9
126.26086	0.6
127.04012	2.2
135.04486	0.9
153.01909	0.6
155.63843	0.5
161.02425	1.4
165.01834	0.6
167.03470	1.7
167.10800	1.8
171.03064	1.0
171.69374	0.6
172.05324	1.3
173.04564	1.3
173.06062	1.4
177.01978	0.5
184.05249	0.6
185.06122	1.3
191.05614	53.7
192.05966	1.7
197.06090	1.5
198.03264	0.9
198.06912	0.8
199.04073	1.0
199.07497	0.8
209.05984	0.6
211.04088	2.7
211.07504	1.5
212.04820	0.9
213.05551	1.6
214.06313	1.2
224.04779	0.7
225.05579	2.2
226.02740	0.7
226.31369	0.7
227.03485	2.0
227.07158	1.5
237.05542	2.2
237.09224	1.1
239.03441	0.8
239.07117	1.8
240.04303	1.7
241.05157	0.6
242.05824	1.8
251.07126	1.1
253.05081	3.5
253.08694	0.7
255.06665	1.6
263.07159	0.7
265.05090	0.7
265.08691	0.6
267.06567	2.3
269.04453	0.8
277.08636	2.0
281.04471	3.3
285.03940	1.6
329.13837	0.7
333.51538	0.6
369.13284	1.1
381.16928	0.6
392.16605	0.7
409.16510	1.6
437.15906	1.0
437.21893	0.9
438.16580	1.0
447.24622	0.8
481.20740	7.7
482.21182	0.6
489.25995	0.9
509.24673	2.9
517.26294	1.4
535.27026	4.0
537.28772	4.4
545.25537	0.6
551.25140	2.9
553.28229	2.4
555.30072	1.1
563.26422	4.8
581.27551	100.0
582.27881	12.0
593.23553	0.8
647.94720	0.6
713.30255	8.3
714.31293	1.3
728.63123	0.6
773.33417	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	775.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.5
60.99310	0.9
61.98835	3.2
62.37742	0.7
65.00313	0.6
68.99825	1.0
69.33433	2.5
69.33851	1.8
71.01384	3.8
75.00875	1.7
85.02944	1.6
88.31287	0.6
88.98810	6.0
89.02445	3.2
93.03459	5.6
95.01382	1.9
95.05042	0.7
96.96017	1.4
98.22704	1.2
101.02454	2.9
109.02951	3.6
113.02448	1.6
116.92784	0.9
119.03502	1.2
121.02950	5.8
122.03746	14.0
123.00883	1.1
123.04483	1.8
133.03001	4.1
134.03786	1.6
135.04549	5.1
136.01672	1.4
137.02452	10.4
138.03238	1.2
143.03433	0.9
145.02928	0.8
149.02446	24.6
150.03226	100.0
151.00375	7.8
151.03864	4.3
152.01132	0.9
152.04759	4.0
155.03496	1.7
159.04529	0.9
161.02463	6.4
161.04521	0.7
161.06027	0.7
162.03032	0.9
163.03926	0.9
164.04771	5.4
165.01904	1.8
165.05566	99.6
166.02716	23.2
166.05981	2.3
167.03426	2.6
172.41641	0.7
173.04599	1.2
175.03995	1.9
177.01863	1.1
177.05525	2.5
178.02716	1.5
179.03528	3.4
179.07137	1.5
180.04266	7.9
181.05074	31.5
182.05458	1.3
187.04004	1.5
188.04753	0.9
190.02672	0.8
190.06308	1.3
191.03645	1.1
191.05582	2.6
192.04256	0.9
193.05023	3.9
194.05670	1.3
195.06616	50.2
196.06967	1.8
202.06384	1.3
205.05034	5.7
206.05690	0.7
207.06567	1.2
219.06647	1.5
220.07446	7.3
221.08099	0.7
225.07722	1.0
254.75603	0.7
266.05716	0.8
269.04556	1.1
282.05270	1.0
285.04047	2.5
315.08536	1.6
329.10068	2.6
354.10654	0.7
372.12024	1.9
385.12976	0.8
386.13400	0.9
387.10556	2.9
387.15002	5.3
402.13214	3.2
403.13708	3.0
416.14551	2.1
417.15540	44.8
418.15823	3.2
505.15076	0.9
520.16925	1.3
535.16339	2.1
550.18390	2.3
565.20776	60.1
566.21088	5.3
583.21625	1.5
595.21466	1.9
613.22870	41.8
614.23468	5.6
775.28864	1.6
791.18347	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65723	0.3
59.01384	2.0
61.98825	3.1
67.41223	0.4
68.99832	0.7
69.21752	1.9
69.22145	0.6
71.01376	0.8
74.63323	0.3
82.02982	2.0
83.01398	0.3
85.02937	0.6
89.02438	0.6
93.03465	0.5
94.04034	0.3
95.05021	0.5
96.95979	0.3
101.02427	0.8
101.68899	0.4
106.06628	1.7
107.01437	0.3
108.02155	0.4
109.02961	1.6
110.02491	0.5
110.03268	0.4
111.00814	0.5
120.94933	0.4
121.02939	0.8
122.06132	0.9
127.03999	0.8
132.04547	6.3
133.03004	1.0
133.05318	5.1
134.06125	11.2
135.04500	1.3
136.04080	0.5
137.02438	1.2
139.07507	0.3
149.04758	0.5
150.03259	1.2
153.01910	1.7
160.04041	7.6
161.02487	1.4
161.04817	26.4
162.05605	33.6
163.06018	1.1
165.01938	3.5
165.05559	1.1
173.04581	0.4
176.03554	0.6
179.03487	1.2
180.04297	2.3
188.03445	0.4
191.05600	2.0
193.03780	12.1
193.05438	0.7
194.04242	0.5
195.06624	3.9
210.05324	0.5
212.07141	1.3
213.07938	0.9
214.08815	1.1
225.07668	1.8
226.08775	1.0
233.26088	0.4
241.06235	1.7
242.11824	1.7
243.11392	1.7
256.29404	0.4
257.09286	3.5
268.09625	1.2
269.09308	2.7
273.30954	0.5
284.03314	4.1
285.00790	0.7
285.04025	13.2
285.12436	26.1
286.04312	0.7
286.12741	0.7
311.10391	4.0
329.11407	100.0
330.11722	4.3
359.15085	1.3
447.09302	12.5
448.09787	0.8
507.19946	0.8
555.22253	0.9
567.22632	2.3
615.24646	2.0
777.28180	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.2
63.02409	0.4
65.00329	0.7
85.02979	0.4
86.23247	0.4
89.02439	1.0
92.93658	0.4
95.05015	0.5
101.02422	0.9
107.01398	1.5
107.72244	0.4
109.02981	0.6
113.02428	0.4
129.01944	0.5
130.09319	0.4
133.02939	2.2
134.03770	0.7
135.04501	0.8
137.02457	0.5
143.86992	0.4
149.02397	0.7
149.06090	0.5
151.00328	3.2
151.03947	0.6
153.05624	0.6
155.62018	0.4
161.04805	0.5
162.05608	1.4
163.04036	0.4
175.04012	1.1
179.05580	0.6
191.05592	0.8
193.03662	0.5
199.03897	0.9
227.03510	0.6
241.05113	0.6
256.03815	1.6
283.02255	0.5
284.00671	0.6
284.03250	39.7
285.04031	85.8
286.04379	4.7
327.05026	1.2
329.11414	3.0
447.09311	100.0
448.09702	6.9
499.14148	0.4
555.22406	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.4
63.02407	0.5
64.31117	0.3
65.00349	0.5
69.03455	0.6
71.47158	0.3
73.79543	0.3
83.01386	0.6
85.02931	0.3
89.02440	0.5
93.03465	0.5
95.05057	0.3
101.02463	0.4
107.01392	0.9
109.02975	0.3
113.02455	0.5
116.82461	0.3
121.02966	0.8
123.04498	0.5
127.04039	0.4
129.01964	0.6
133.02936	2.0
134.03761	0.9
135.04538	0.9
146.03642	0.3
146.57224	0.3
148.01698	0.3
149.02455	1.0
149.06081	0.3
151.00363	3.1
151.04092	0.5
152.01161	0.4
161.02408	0.4
161.04802	0.3
165.05627	0.3
171.04564	0.3
175.04039	1.4
175.07620	0.3
177.01913	0.3
177.05472	0.3
179.03641	0.3
179.07251	0.3
191.05583	0.5
199.03987	1.4
200.04721	0.4
211.03955	0.6
212.07159	0.3
213.05557	0.3
217.05086	0.6
227.03410	0.5
232.03264	0.3
241.05087	0.6
243.02817	0.3
255.03070	0.5
256.03809	1.8
266.72256	0.3
267.03149	0.3
269.10291	0.8
269.85175	0.3
283.02438	0.4
284.03271	39.9
285.04044	86.8
286.04379	2.8
287.05869	0.4
297.03845	0.4
327.05103	0.9
329.11478	1.5
331.14224	0.3
412.80814	0.3
437.04031	0.3
447.09320	100.0
448.09567	3.9
537.21002	0.7
555.21930	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	0.6
59.01376	53.5
60.99300	0.6
66.08015	0.4
67.01871	1.2
69.03452	32.3
70.03786	0.5
71.01379	24.5
72.99297	0.7
73.02937	0.7
74.57294	0.5
79.03913	0.5
83.01372	1.0
83.05038	1.4
85.02936	4.6
87.00857	1.6
88.47681	0.5
89.02441	24.5
93.03449	7.8
95.01390	2.0
95.05056	1.4
97.02947	44.2
101.02438	12.5
105.03439	2.8
106.04243	0.8
107.05074	0.7
109.02962	0.6
113.02448	10.3
119.03504	9.5
119.05029	1.0
121.02967	1.3
121.06582	2.2
123.04520	8.8
131.03447	0.9
134.03735	0.6
141.01949	2.1
143.03513	1.6
149.04866	0.8
149.06073	15.4
159.92882	0.5
161.04575	1.1
167.07147	6.9
179.05606	4.4
191.05643	2.6
193.05045	35.1
194.05347	1.3
221.05963	0.6
241.10867	0.5
247.25539	0.6
373.11365	100.0
374.11649	4.9
375.12784	1.3
375.24722	0.6
403.12122	2.8
738.45074	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
60.38881	0.3
60.78049	0.3
61.98847	0.4
63.02402	0.6
65.00344	1.6
66.97086	0.4
69.67951	1.5
71.01379	0.8
83.01398	0.6
87.27641	0.4
88.59837	0.4
88.98794	0.4
89.02448	0.8
93.03469	0.6
94.67145	0.4
95.22585	0.4
101.02471	0.8
105.03475	0.4
107.01398	1.6
109.02965	1.2
121.02982	0.7
133.02953	4.9
135.04538	3.4
136.04921	0.4
149.02437	1.5
149.06000	0.4
150.03247	0.6
151.00366	4.8
151.03976	0.4
159.04500	0.4
161.02448	5.6
175.03998	1.8
177.01868	0.5
177.49200	0.3
179.03517	1.2
185.06146	0.7
187.03943	0.5
187.19383	0.3
197.06009	0.5
199.04033	1.5
201.01988	0.7
207.06694	0.5
211.04115	0.6
213.05588	0.7
215.03421	0.5
217.05063	1.1
225.11197	0.5
227.03526	0.6
239.03676	0.5
241.04912	0.5
255.02998	0.4
255.06802	0.5
256.03876	0.8
257.04758	0.5
269.04526	1.0
283.13196	0.5
284.03271	11.7
285.04034	100.0
286.04312	5.1
287.05618	1.5
330.79327	0.4
371.14896	0.7
439.79037	0.4
629.18481	0.8
648.94867	0.4
686.92053	0.5
741.33270	3.8
777.26025	25.6
778.26501	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	777.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35703	0.4
58.00584	0.8
59.01379	45.9
60.01718	0.6
62.97346	0.4
67.01880	1.3
69.03455	28.8
69.55911	1.8
71.01381	22.6
71.01781	0.9
72.99307	0.7
73.86747	0.5
83.01371	1.1
85.02943	4.2
87.00871	1.5
89.02442	24.4
93.03456	6.9
95.01395	1.8
95.05008	1.2
97.02950	40.7
98.03279	1.0
101.01784	0.8
101.02439	12.5
105.03448	2.5
107.05035	0.6
107.48386	0.4
108.02148	0.5
113.01699	0.7
113.02448	9.2
114.02760	0.5
119.02666	0.6
119.03506	9.5
121.02955	1.2
121.06619	2.4
123.04518	8.6
131.03461	1.0
133.02936	0.5
134.03656	0.5
141.01917	1.5
143.03493	1.0
147.04604	0.5
149.06078	15.1
150.06432	0.6
161.04526	1.3
167.07126	5.9
168.07526	0.6
177.02032	0.6
178.67036	0.4
179.05635	3.6
182.05864	0.8
191.05560	1.2
193.05052	32.4
193.15135	0.4
194.05392	1.8
197.08142	0.7
213.07585	0.5
373.11371	100.0
374.11710	7.9
375.12970	0.9
403.12317	1.1
498.96097	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	21.5
61.98822	6.9
63.02416	1.7
65.00337	2.9
67.01887	2.4
68.99789	2.0
69.03454	1.8
69.12309	10.2
71.01383	8.7
73.02958	3.3
74.16303	1.7
83.01413	2.3
85.02955	4.5
89.02457	6.7
93.03455	10.2
95.01398	4.6
95.05010	1.5
96.96004	6.6
97.02977	1.9
99.00899	2.8
99.04524	1.9
101.02426	10.1
107.01369	3.7
109.02939	2.3
113.02436	4.7
121.02946	5.9
122.03735	12.7
123.04497	4.7
125.02441	1.8
132.02228	2.0
133.02950	9.6
135.04518	17.7
137.02444	4.2
146.03748	2.0
147.04572	2.1
149.02451	21.5
149.05998	2.1
150.03221	70.3
151.00374	16.9
151.03920	3.7
155.03477	6.4
159.04547	2.7
160.01703	2.0
161.02423	12.9
161.04544	2.5
162.03020	1.5
164.04819	9.2
165.05566	63.1
173.04556	17.2
175.03998	8.3
177.05550	5.9
179.03508	5.8
179.05629	3.6
179.07146	2.8
180.04277	5.2
190.06332	1.9
191.05623	6.3
195.06616	45.7
203.07147	1.9
209.08241	1.6
209.11845	5.9
220.07396	2.3
232.92441	1.7
238.06305	2.4
240.07808	3.6
242.05681	1.6
243.03096	1.7
251.12860	1.9
256.07425	2.2
267.06622	4.0
268.04825	1.4
268.07278	8.8
269.04565	10.2
269.07745	2.3
269.13971	15.0
279.06595	2.5
280.07327	3.0
281.08179	1.6
283.06149	4.3
283.09732	7.9
284.03238	6.4
284.06714	2.3
285.04053	79.0
285.07297	4.0
286.04398	9.0
287.05557	13.4
293.07864	2.8
294.05402	1.8
295.06091	2.3
296.06897	5.9
297.07562	2.0
298.08264	2.9
299.09409	2.2
308.06839	5.1
309.07639	7.9
310.08472	3.7
311.05508	5.0
311.09106	6.2
312.06451	8.5
312.09732	2.3
313.10715	7.0
322.08420	2.7
323.09192	14.1
324.06454	3.5
324.09982	9.3
325.10709	3.2
326.07870	9.5
326.11395	3.6
327.08768	27.1
327.12442	4.6
328.09320	3.4
329.15982	4.5
332.12506	2.3
337.10733	1.8
338.11472	7.4
339.08746	40.1
339.12463	8.3
340.09314	4.3
341.10303	11.3
342.11053	29.8
343.11835	34.1
344.12491	1.9
347.17096	8.0
354.11041	15.6
355.11670	4.8
356.12637	8.5
357.13416	94.2
358.13754	4.7
369.13422	100.0
370.13809	7.7
373.13013	2.5
389.17932	2.8
391.13834	4.6
511.21716	5.7
521.22430	10.5
535.19440	6.1
583.21924	4.2
599.31049	2.4
671.24817	2.8
672.24011	1.8
683.24664	5.0
701.26147	4.8
731.27075	22.2
732.27850	3.1
779.27527	18.3
779.38068	12.0
780.27594	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	779.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01381	0.5
58.00587	0.8
59.01380	40.3
67.01876	1.2
69.03455	24.6
69.13330	3.0
69.13743	1.3
71.01381	20.3
72.99301	0.6
73.02914	0.7
79.05694	0.6
83.01373	0.8
84.54700	0.5
85.02946	3.7
87.00885	1.3
89.02445	23.7
89.18440	0.5
93.03463	6.7
95.01372	1.1
95.05028	1.0
96.96002	0.9
97.02949	34.0
98.03266	0.7
101.02449	9.1
105.03470	2.5
108.02197	0.6
113.02447	7.8
119.03493	8.2
121.02926	0.8
121.06600	1.2
123.04523	8.1
134.03734	0.6
141.01987	1.5
143.03506	1.1
149.06078	12.2
161.04503	1.2
165.27008	0.6
167.07132	4.6
179.05586	2.7
182.75607	0.5
193.05052	26.3
194.05389	1.0
373.11374	100.0
374.11667	4.2
466.53601	0.5
717.06854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01715	0.5
61.70201	0.2
61.98840	0.9
67.30371	0.2
73.78280	0.2
75.00866	0.6
98.21902	0.6
102.95705	0.8
103.00376	3.3
103.01496	71.3
104.01857	0.4
122.50292	0.2
180.07152	0.2
237.98288	0.2
302.75885	0.2
397.13065	0.3
607.40784	0.2
647.18274	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01072	4.9
59.01377	100.0
59.54081	2.4
60.29989	2.3
61.98827	30.3
68.99832	17.7
69.03453	15.8
71.01376	66.0
71.44336	2.5
72.99270	2.8
73.02960	7.1
76.81948	2.6
84.21117	3.0
85.02944	21.7
87.00906	3.6
88.98795	4.3
89.02438	77.9
91.01894	2.9
93.03466	12.0
93.68967	2.5
95.01389	5.7
99.00883	4.1
101.02448	63.4
107.05028	7.1
113.02462	28.0
116.92902	2.5
119.03497	27.1
121.02964	15.9
121.06575	4.7
125.02460	5.7
131.03471	3.4
133.02972	4.8
135.04497	12.3
137.02437	4.7
143.03520	8.4
145.06683	3.3
147.04544	4.4
148.05299	47.0
149.04599	4.9
151.04010	3.4
153.05583	17.7
161.02451	9.6
161.04579	18.0
163.04013	3.5
163.07631	30.9
165.05588	10.5
166.06020	2.7
173.06102	6.8
179.03470	15.2
179.05658	21.9
187.07759	2.6
189.05597	3.7
191.05582	8.6
191.07153	6.0
195.06604	3.3
203.44518	2.7
205.08664	3.0
207.06580	3.3
215.07091	3.4
236.31219	2.7
243.62971	3.4
247.55409	2.8
249.07649	7.2
269.04520	7.8
283.94653	2.9
285.03979	6.2
309.09708	3.6
341.08652	24.7
393.12036	4.1
411.12811	10.7
429.13980	32.9
473.18289	6.3
505.17126	50.7
506.17715	3.8
556.88428	2.7
573.18170	4.3
575.21460	11.4
779.40515	3.9
780.41595	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	781.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	36.7
71.01380	22.2
71.01773	1.1
78.95899	49.5
85.02953	3.0
87.26913	0.9
88.74181	1.0
89.02436	31.4
95.01384	2.1
96.96033	19.5
96.96959	100.0
101.02442	12.4
113.02443	10.7
118.96629	1.3
119.03497	12.6
126.34653	1.0
131.03532	1.6
143.03494	2.8
149.04553	1.8
160.97725	1.7
161.04532	2.6
179.05585	11.5
180.38345	1.0
217.00388	1.3
229.00301	1.1
259.01340	2.4
341.10864	88.6
342.11136	4.8
376.86087	1.1
379.05875	1.4
439.08484	35.9
440.08685	2.0
721.18488	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	781.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
55.11438	0.3
57.03436	1.3
59.01380	19.5
60.01682	0.3
61.64213	0.3
67.01875	0.3
68.23869	0.3
69.03457	35.5
70.03786	0.4
71.01380	10.0
71.47173	0.4
72.99306	0.5
73.02969	0.5
74.06713	0.3
75.06375	0.3
81.03457	1.0
83.01388	0.5
85.02946	2.0
87.00862	1.8
87.51175	0.3
89.02442	10.8
91.78261	0.3
93.03449	1.3
95.01380	0.7
95.05028	15.2
95.97639	0.8
96.78712	0.3
97.02938	0.8
99.04525	5.2
101.02448	6.1
103.21712	0.3
107.05032	6.4
109.06557	1.1
111.05245	0.3
113.02449	18.7
114.02715	0.4
119.03508	3.6
121.06573	0.5
123.04627	0.5
125.06102	2.8
131.03496	0.3
133.02979	0.5
133.06613	1.2
135.04521	0.7
143.03508	0.5
146.47952	0.3
147.04521	0.5
151.07664	6.7
161.02403	0.3
161.04576	0.6
164.07153	0.8
169.08699	13.5
173.04546	0.4
179.05609	0.7
191.05670	1.5
195.06592	0.7
213.07681	30.9
214.08015	0.9
244.02867	2.6
245.03040	0.4
293.12445	0.7
331.61673	0.3
341.09241	0.3
351.07233	0.4
373.11395	0.6
375.12936	100.0
376.13254	7.4
377.13501	0.3
528.22162	0.4
607.31085	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4533
Annotation	Astragaloside IV
Peak:m/z	Relative Intensity
54.78594	1.4
55.72509	1.6
59.01105	2.2
59.01379	18.2
61.98814	7.2
67.73675	1.5
68.64175	1.4
71.01379	15.7
73.02930	5.0
85.02934	8.1
89.02436	6.4
91.58781	1.4
98.22670	3.2
101.02428	12.1
105.45597	1.7
111.86931	1.6
113.02432	4.2
221.62491	1.5
236.52504	1.5
621.39905	7.6
622.40381	1.7
635.75446	1.6
783.45306	100.0
784.45789	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.6
67.01875	0.3
68.22096	0.2
69.03454	2.6
71.01373	1.8
71.45213	0.3
81.03462	0.3
85.02944	1.6
87.00893	0.7
89.02448	1.4
89.99575	0.2
93.03457	1.8
95.05025	0.7
96.96059	0.3
97.02932	1.5
101.02432	1.1
105.03509	0.3
107.04996	0.2
108.02193	0.6
109.02937	0.7
111.04528	0.4
113.02448	1.1
119.03512	0.6
123.04555	0.5
127.04005	0.6
133.02985	0.9
135.04515	0.9
136.01643	1.4
137.02444	100.0
138.02782	3.2
142.10072	0.2
149.06076	0.7
151.07668	0.4
155.03561	0.3
161.02464	0.8
163.04005	0.4
167.07079	0.3
169.08727	0.7
173.04594	0.8
177.01924	0.6
179.03500	0.6
191.05612	22.9
192.05942	0.8
193.05107	1.0
213.07684	0.9
215.05597	0.5
234.31387	0.3
241.72372	0.3
244.06563	0.2
307.55923	0.3
351.07123	0.7
353.08780	2.8
373.11386	4.6
375.12936	3.4
431.11911	51.2
432.12296	3.9
433.12192	0.7
445.13635	0.6
514.55750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.4
61.98832	100.0
63.47925	0.1
69.03463	0.3
69.27853	0.6
71.01389	0.7
73.02946	0.1
82.95415	0.1
85.02971	0.2
89.02444	0.8
93.03465	0.3
95.28428	0.1
96.96040	0.3
97.02984	0.2
101.02464	0.4
107.01421	0.2
113.02483	0.2
116.92870	0.3
117.03526	0.3
119.03501	0.2
121.02994	0.4
129.01949	0.1
133.02931	0.1
135.04558	0.3
148.05315	0.2
149.02444	0.1
151.00372	0.2
161.02477	0.2
163.07706	0.2
165.01874	0.1
171.02943	0.1
179.03622	0.1
179.05640	0.1
182.17453	0.1
184.94850	0.1
191.05663	0.4
268.03931	0.3
269.04550	9.9
285.04135	0.4
337.09714	0.1
493.16406	0.1
517.15576	1.9
608.01068	0.1
726.26898	0.2
787.21204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.0
59.01379	100.0
60.99297	2.3
61.98825	7.2
65.88306	1.1
67.01881	3.8
68.99432	1.5
68.99812	26.6
69.03455	20.5
71.01382	63.9
72.01721	1.4
72.99332	2.4
73.02950	2.0
79.51295	1.2
79.63651	1.3
81.03455	1.9
83.01380	1.9
85.02963	13.5
87.00874	8.2
88.98813	5.2
89.02444	84.7
93.03463	8.5
95.01391	18.4
95.05042	1.8
96.95979	3.1
97.02947	7.9
101.02444	59.7
108.02185	3.1
109.02949	3.0
111.00871	1.8
111.04520	1.5
113.02448	28.5
116.92835	3.8
117.92889	1.6
119.03503	38.9
119.04958	2.8
121.02950	13.9
121.06583	3.3
123.00894	2.2
123.04527	52.8
124.04861	1.6
125.02439	3.3
131.03505	3.0
133.02934	3.5
134.03716	4.6
135.04533	24.7
137.02417	1.9
141.01938	1.5
143.03487	9.1
147.04575	1.4
149.02431	13.4
149.04535	3.1
149.06065	11.1
150.03188	5.0
151.04051	3.1
153.01953	1.5
155.03510	41.8
156.03842	2.1
161.02475	6.7
161.04565	11.8
163.03975	3.5
165.05577	8.1
168.90489	1.3
173.04578	4.2
175.04002	5.3
177.01825	1.5
179.03508	5.0
179.05617	74.7
180.04324	1.5
180.05945	2.5
181.05022	3.2
183.03020	3.9
191.05650	22.3
192.05963	1.3
193.05063	25.7
194.05399	2.1
195.06619	2.9
207.06668	2.3
225.07654	14.4
235.06049	3.1
253.07144	6.5
269.04568	19.2
285.04031	14.7
308.09009	2.9
337.09341	2.0
341.08911	1.4
352.07999	9.4
355.10339	31.1
356.10739	2.5
373.11456	17.8
387.12842	3.6
415.12415	16.7
445.13373	3.7
457.13434	5.9
475.14468	6.3
511.14453	18.5
561.18494	1.6
581.18768	4.4
602.16638	1.2
609.12054	2.8
665.11188	1.3
711.21765	1.3
743.24530	9.2
766.01385	1.3
786.33722	1.7
787.24658	4.3
798.70325	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	787.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.1
63.02404	0.7
65.00333	0.7
68.99818	0.9
69.03445	2.3
69.58814	1.0
71.01381	3.1
83.91050	0.3
85.02936	0.9
87.00882	0.5
89.02445	2.2
93.03465	1.6
95.01359	0.6
97.02951	1.7
101.02422	2.0
107.01373	0.7
113.02453	0.6
116.92853	0.5
117.03445	1.5
119.03497	0.9
121.02959	1.6
121.06666	0.6
123.04521	1.4
124.99513	0.4
125.02438	0.5
133.02995	0.9
135.04552	3.1
147.04428	0.4
149.02423	2.4
149.06088	1.4
150.06848	0.9
151.00352	1.4
151.04030	0.4
151.07709	0.5
155.03519	0.6
159.04480	0.6
161.02443	1.4
163.07713	0.5
169.06639	0.4
173.04559	0.4
177.02022	0.8
179.03429	1.0
183.04422	0.5
191.05594	1.8
193.05058	2.6
201.05417	0.5
205.12354	0.9
225.05573	1.4
227.03398	0.4
239.03581	0.5
240.04201	0.5
249.11368	0.9
268.03775	10.5
269.04532	100.0
270.04877	3.8
285.03958	3.8
285.06525	0.5
306.12930	0.4
352.07730	1.2
355.10223	1.8
413.08765	0.8
431.09827	8.2
464.98926	0.4
501.10449	0.5
555.11316	5.2
607.14514	2.0
607.23907	0.9
773.37335	0.5
787.20355	11.1
787.42542	1.0
788.21759	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.5
61.98836	0.1
63.02389	1.0
65.00359	0.5
68.90951	0.1
68.99813	0.1
69.03474	0.2
71.01403	0.3
71.12182	0.2
83.01395	0.1
84.67899	0.1
84.84224	0.1
85.02944	0.2
89.02473	0.3
93.03487	0.4
96.96017	0.2
97.02993	0.2
101.02460	0.3
105.03466	0.1
107.01390	0.9
109.36700	0.1
111.04536	0.1
113.02460	0.2
117.03465	2.5
117.04263	0.2
121.02988	0.3
127.68052	0.1
132.02080	0.1
133.02980	0.2
135.04521	0.8
149.02428	0.8
149.06125	0.1
151.00362	0.6
157.06622	0.2
159.04524	0.8
161.02457	0.9
165.05623	0.1
169.06573	0.3
179.03468	0.3
181.06601	0.2
183.04541	0.6
191.05579	0.8
193.05080	0.2
196.05302	0.1
197.06114	0.3
201.01831	0.1
201.05595	0.4
224.04745	0.3
225.05612	0.8
227.03548	0.4
240.04358	0.2
245.33473	0.1
268.03769	1.9
269.04541	100.0
270.04898	3.3
281.04578	0.2
285.03900	0.3
285.06464	0.2
311.05566	0.5
352.07852	0.2
355.10385	0.5
413.38696	0.1
431.09756	0.8
555.11615	1.0
607.13715	0.1
625.15668	0.2
787.20782	4.3
788.21295	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.1
63.02404	0.7
65.00333	0.7
68.99818	0.9
69.03445	2.3
69.58814	1.0
71.01381	3.1
83.91050	0.3
85.02936	0.9
87.00882	0.5
89.02445	2.2
93.03465	1.6
95.01359	0.6
97.02951	1.7
101.02422	2.0
107.01373	0.7
113.02453	0.6
116.92853	0.5
117.03445	1.5
119.03497	0.9
121.02959	1.6
121.06666	0.6
123.04521	1.4
124.99513	0.4
125.02438	0.5
133.02995	0.9
135.04552	3.1
147.04428	0.4
149.02423	2.4
149.06088	1.4
150.06848	0.9
151.00352	1.4
151.04030	0.4
151.07709	0.5
155.03519	0.6
159.04480	0.6
161.02443	1.4
163.07713	0.5
169.06639	0.4
173.04559	0.4
177.02022	0.8
179.03429	1.0
183.04422	0.5
191.05594	1.8
193.05058	2.6
201.05417	0.5
205.12354	0.9
225.05573	1.4
227.03398	0.4
239.03581	0.5
240.04201	0.5
249.11368	0.9
268.03775	10.5
269.04532	100.0
270.04877	3.8
285.03958	3.8
285.06525	0.5
306.12930	0.4
352.07730	1.2
355.10223	1.8
413.08765	0.8
431.09827	8.2
464.98926	0.4
501.10449	0.5
555.11316	5.2
607.14514	2.0
607.23907	0.9
773.37335	0.5
787.20355	11.1
787.42542	1.0
788.21759	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01079	0.3
59.01379	7.0
61.98830	24.1
62.98539	0.2
63.02382	0.8
65.00338	0.7
67.01889	0.3
69.03446	1.4
69.12800	0.2
69.16776	1.0
71.01382	3.4
72.99335	0.2
73.02939	0.2
75.00872	0.5
83.01404	0.4
85.02523	0.2
85.02944	1.0
87.00909	0.3
89.02451	2.3
93.03458	0.6
95.01404	0.3
96.96021	0.6
97.02950	1.6
98.22672	0.3
101.02436	1.8
103.43034	0.2
105.03462	0.2
107.01391	1.4
111.00865	0.3
113.02465	0.8
116.92866	0.5
117.03445	3.8
119.03494	0.8
121.02974	0.6
123.04556	0.6
124.15778	0.2
125.02450	0.3
129.01987	0.3
131.03519	0.2
135.04529	0.8
137.02464	0.2
141.01816	0.3
147.04649	0.3
149.02426	1.5
151.00362	2.0
159.04561	1.1
161.02414	1.0
161.04530	0.3
165.05609	0.2
169.06590	0.4
179.05585	0.5
181.06633	0.4
183.04535	0.7
191.05721	0.9
196.05377	0.2
197.06117	0.7
198.71136	0.2
201.05579	0.6
207.06528	0.2
225.05486	1.5
227.03476	0.5
233.08109	0.3
241.05034	0.2
268.03757	3.0
268.06448	0.3
269.04535	100.0
270.04907	3.4
285.04013	0.3
311.05554	0.3
311.11514	0.5
337.09277	1.3
355.09882	0.2
373.11087	0.3
511.12585	0.6
517.15619	14.0
518.15961	0.9
535.46252	0.2
555.11334	0.3
563.15723	0.3
581.16718	0.8
607.14368	0.2
712.67615	0.2
787.20874	3.4
787.43719	0.6
788.21100	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.3
61.68136	0.5
69.03452	0.6
71.01392	6.1
71.44089	0.5
73.02930	0.8
74.44877	0.7
79.95737	0.7
80.58816	0.5
81.19174	0.5
85.02950	1.7
87.00861	0.8
89.02441	4.6
95.04997	0.6
95.97604	1.6
101.02444	2.9
107.04995	1.0
109.02985	0.6
113.02444	1.8
117.03461	1.1
119.03527	0.9
119.05027	0.6
119.06936	0.6
121.05068	1.7
123.04549	0.7
133.02957	19.7
134.03783	3.0
135.04532	36.8
136.04858	1.6
137.02403	0.7
147.04515	0.8
149.06068	2.0
151.04031	0.9
161.02446	89.2
162.02779	2.7
163.03996	1.5
164.07161	1.8
165.39124	0.5
172.86807	0.5
177.05592	3.1
178.02570	0.7
179.03502	30.0
180.03853	1.5
181.05034	1.0
191.05550	0.9
221.04521	5.6
244.02762	2.7
245.03160	1.5
251.05611	4.3
252.05836	0.6
281.06653	9.3
282.06989	1.1
341.08771	10.8
342.09152	1.0
343.10342	1.0
375.12988	0.7
445.13507	100.0
446.13803	6.9
487.74765	0.6
656.50000	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.2
59.01076	2.5
59.01377	47.9
61.98817	7.3
67.01865	2.1
68.99818	42.7
69.03461	13.7
71.01376	28.4
72.99339	2.6
73.02942	4.0
73.35731	1.9
74.95953	2.1
81.03452	35.8
83.01386	2.8
85.02954	12.5
89.02441	31.7
93.03469	7.6
94.85011	1.9
95.01401	12.3
96.96022	4.6
97.02967	2.5
101.02441	100.0
109.02967	4.3
109.20342	2.0
113.02433	19.1
116.92855	7.2
119.03520	11.2
121.02916	4.8
123.04504	6.8
125.02448	74.4
133.02966	4.5
134.03731	2.8
135.04526	7.9
137.02477	5.9
149.02441	6.4
149.06058	2.4
151.00366	2.7
151.07632	7.1
155.03500	51.3
161.02412	8.7
161.04529	7.9
165.09026	1.9
167.03505	3.0
169.05045	6.2
173.04614	2.6
179.03444	5.3
179.05583	7.8
190.41670	1.9
191.05621	5.0
195.06595	8.0
197.04538	4.2
225.07756	2.7
227.05537	2.9
269.04520	40.5
270.04819	4.2
285.04028	10.3
301.07114	3.2
317.08777	21.5
441.10355	2.4
471.15079	10.3
489.15918	3.2
495.15091	19.7
565.19299	30.3
566.19897	3.0
727.24530	12.7
787.44128	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	787.303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.8
61.98811	0.6
67.01871	0.3
69.03436	0.4
69.19615	1.9
71.01378	5.6
73.02953	3.0
85.02954	1.1
87.25069	0.4
89.02447	7.7
93.03494	0.7
95.05032	0.4
96.36173	0.5
96.96013	0.5
97.02946	0.5
99.00884	4.7
101.02469	2.7
105.03460	0.7
109.02945	0.4
113.02470	1.5
117.03466	1.7
119.03465	0.5
123.04531	0.7
125.02401	0.7
127.04019	0.4
131.03526	0.8
132.02182	1.7
133.02960	38.0
134.03670	2.2
135.04535	15.2
136.04868	0.4
149.04556	0.6
156.56119	0.4
157.64284	0.4
161.02449	100.0
162.02805	3.3
165.05618	0.7
173.04633	0.6
179.03499	6.8
191.05620	4.7
208.84190	0.4
221.04521	0.5
269.50604	0.4
285.03943	0.5
464.18274	0.4
625.26599	0.7
787.30316	51.5
788.30542	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	787.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	1.8
59.01377	100.0
62.95841	1.4
69.03450	24.6
69.15642	8.7
71.01378	41.5
72.99336	1.5
73.02957	1.9
81.03452	4.8
81.07095	2.2
82.25965	1.6
83.01378	3.0
85.02944	10.9
87.00871	1.6
88.98801	5.4
89.02444	47.1
93.03417	1.9
95.01367	3.0
95.05029	3.4
99.04531	9.1
101.02436	19.7
107.05028	2.1
113.02446	17.0
116.92847	1.7
119.03490	13.1
121.02991	1.8
121.06570	5.5
123.04503	2.6
125.02456	5.4
131.03404	1.7
133.02959	5.1
133.06610	3.9
134.03726	2.4
135.04541	8.1
137.02446	1.4
143.03493	3.9
149.04605	1.4
149.06079	1.9
151.07631	6.6
159.11487	1.5
161.02461	11.5
161.04533	4.3
161.13339	27.6
162.30453	1.4
173.04628	2.2
177.05661	1.8
179.03479	2.9
179.05627	12.8
182.87689	1.6
187.11292	11.9
191.05608	4.8
195.06577	5.1
205.12314	44.0
206.12637	2.3
209.11787	1.8
221.04742	1.4
231.10228	1.9
249.11304	34.3
253.16628	1.3
255.02986	1.8
269.04526	9.1
270.04871	1.4
284.03564	2.6
285.04120	6.6
301.66812	1.4
357.11615	3.0
375.12949	14.4
385.18805	3.8
408.76929	1.8
411.16843	1.9
429.17780	13.0
445.09125	2.4
607.23932	55.0
608.24164	4.8
787.30212	69.2
788.30408	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	788.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98837	97.3
68.20630	36.0
71.01395	59.3
71.43510	30.7
73.12135	35.1
85.02925	40.0
89.02428	39.1
95.71248	33.0
96.69060	31.1
96.96025	95.8
101.02441	54.2
116.92859	40.7
125.02413	34.5
135.04498	43.6
151.00427	49.1
161.02408	39.6
167.03479	37.4
191.05528	43.1
236.18736	31.5
241.49908	43.2
269.04279	41.1
285.03931	60.9
443.32239	40.3
789.46185	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	100.0
61.98819	71.3
69.59657	84.6
69.60046	59.6
96.95995	46.4
102.37421	29.4
104.24711	33.3
125.35699	30.1
134.90495	29.3
151.94026	28.9
443.25494	37.5
569.01355	31.6
788.41974	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98855	0.5
65.05961	0.5
71.44147	0.8
86.41122	0.5
95.68160	0.5
136.98016	0.6
150.84500	0.5
179.83885	0.5
229.67155	0.5
306.20520	0.5
315.65958	0.5
340.91855	0.6
471.35098	0.8
746.66351	0.6
789.57672	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	790.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.2
61.98830	100.0
63.61578	0.2
63.81462	0.2
71.01406	0.8
82.44508	0.2
85.02969	0.4
85.29727	0.2
87.01368	0.2
89.02475	0.3
96.96027	0.4
101.02460	0.7
116.92896	0.9
135.04515	0.2
159.87851	0.3
161.02466	0.3
170.76096	0.2
175.93901	0.2
191.05591	0.5
192.26877	0.2
195.48441	0.2
225.38586	0.2
270.16339	0.2
481.41763	0.3
512.76996	0.3
706.91431	0.2
767.85907	0.2
789.46661	0.5
790.46814	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
58.00587	1.4
59.01376	88.4
60.01706	0.9
67.01888	7.2
68.99815	11.8
69.03452	27.9
69.23082	2.8
70.03799	1.0
71.01379	46.7
72.00195	0.6
72.01709	0.7
72.99323	1.2
73.02941	1.8
83.01418	1.4
85.02953	7.0
87.00871	2.9
89.02441	59.3
93.03479	1.5
95.01408	3.7
95.05022	29.0
96.05384	0.6
97.02957	0.7
99.00868	0.9
99.04524	1.4
101.02438	40.5
108.02179	0.6
111.00877	17.7
113.02447	19.0
114.02779	0.9
119.03497	23.8
119.04871	4.0
120.03845	0.9
121.02953	100.0
121.06578	4.0
122.03288	2.4
123.03581	1.1
123.04523	22.4
125.02467	0.8
127.04008	10.5
131.03514	2.7
134.03766	1.0
137.06088	2.6
139.00371	16.2
139.01405	1.2
139.03999	1.8
143.03503	6.6
147.04497	6.0
149.02452	4.4
149.04546	2.6
153.05591	0.9
159.78638	0.7
161.04541	9.3
163.04041	0.6
165.05562	17.3
179.05641	59.2
179.07132	10.9
180.05936	0.7
181.05019	4.5
191.03467	4.7
191.05048	0.7
193.05045	1.0
209.04567	2.4
223.06120	43.5
224.06375	1.2
229.31467	0.7
241.07213	1.7
288.44409	0.8
301.09213	0.9
333.08109	3.6
371.09802	48.4
372.10098	2.6
387.16611	1.4
403.12424	52.0
404.12680	4.6
496.62268	0.6
513.07843	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	84.5
66.07259	0.7
67.01885	6.7
68.99814	11.5
69.03457	30.7
71.01381	44.3
72.99306	1.3
73.02925	1.6
76.26648	0.7
83.01387	2.5
85.02953	7.3
87.00901	2.2
89.02447	59.4
89.59029	0.8
90.02756	0.8
93.03461	1.6
95.01391	3.3
95.05026	30.1
99.04530	1.8
101.02440	40.0
108.02177	0.8
111.00883	15.6
113.02448	18.9
113.03239	1.0
119.03503	23.2
119.04897	4.1
121.02958	100.0
121.06597	3.3
122.03291	1.7
123.04527	22.4
125.02443	1.2
127.04012	8.8
131.03494	2.6
134.03772	1.0
137.06071	3.0
139.00375	15.9
139.03983	1.0
143.03508	7.5
147.04495	5.8
149.02461	4.9
149.04501	1.7
153.05508	0.8
161.04576	6.7
163.03975	1.1
165.05566	15.9
179.05644	53.6
179.07138	9.6
180.05969	1.3
181.05067	5.7
191.03458	4.4
191.05443	0.7
193.05106	1.0
209.04514	2.9
222.64470	0.7
223.06104	39.3
224.06422	1.7
241.07153	0.8
262.86948	0.8
333.08237	3.3
371.09827	46.9
372.10156	2.9
387.16525	2.4
403.12436	43.5
404.12842	3.1
457.47662	0.7
686.02466	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.9
61.98819	1.9
63.66183	0.6
68.81657	0.7
69.54333	0.8
69.54717	1.7
71.01367	3.1
73.02950	1.0
73.85191	0.6
85.02946	2.2
89.02467	0.7
90.56629	0.7
93.03472	1.7
96.95997	1.2
98.22546	1.0
100.21593	0.6
101.02444	1.6
105.99065	0.6
107.05013	0.6
113.02449	1.6
117.03474	0.9
127.58385	0.6
132.02151	2.1
133.02954	35.5
134.03423	0.9
135.04517	11.9
137.02464	0.9
161.02438	100.0
162.02812	2.3
177.05525	0.6
179.03484	6.2
191.05614	7.2
235.93436	0.7
285.03925	0.8
351.53738	0.7
443.19315	0.8
444.37137	0.7
549.49396	0.6
579.49103	0.8
580.21509	0.9
642.69299	0.7
791.38519	54.1
792.38928	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	791.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.2
61.52198	0.4
61.85733	0.4
61.98824	1.3
65.00906	0.4
69.37684	2.0
71.01382	3.1
73.02939	1.1
83.01367	0.6
85.02930	2.1
86.00063	0.5
89.02465	0.5
93.03530	0.5
101.02454	2.4
105.03476	0.7
105.97661	0.4
108.87212	0.4
113.02443	0.9
116.92867	1.6
117.03471	1.4
123.04522	0.8
132.02185	1.4
133.02959	31.0
134.03639	0.8
134.09903	0.4
135.04518	10.5
137.02534	0.7
141.80032	0.4
151.00342	0.9
161.02446	100.0
162.02776	1.9
164.01144	0.4
164.85165	0.4
174.01445	0.6
179.03493	7.0
191.05592	1.7
271.65118	0.4
281.06607	0.6
285.04160	0.8
286.04968	0.5
437.71625	0.4
497.18582	0.6
787.59979	0.5
791.38562	49.0
792.38928	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	792.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14413	0.2
59.01379	1.3
61.98829	100.0
66.99929	0.2
69.63472	0.4
69.63819	0.5
78.95947	0.2
91.02363	0.2
98.21954	0.4
154.53757	0.2
169.63194	0.2
203.00656	0.2
255.69707	0.2
376.20108	0.2
418.03201	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
68.99799	0.6
82.51961	0.4
83.01389	0.5
98.21807	1.0
101.02447	0.9
107.01342	0.8
113.53020	0.4
121.02994	0.4
122.06091	0.5
133.02934	2.3
149.02351	0.8
151.00369	1.9
159.52855	0.4
162.56935	0.5
175.04047	0.7
199.04010	1.1
201.02304	0.5
256.03775	1.6
284.03278	34.0
285.04041	77.1
286.04358	3.9
327.05014	0.7
345.10977	0.5
345.15262	0.7
447.09317	100.0
448.09634	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	793.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.3
55.31854	1.2
59.01109	2.1
59.01380	21.2
68.99820	17.8
69.03454	29.9
71.01378	24.6
73.02941	3.3
81.03432	2.0
83.01390	1.3
85.02951	5.1
87.00872	8.7
89.02443	16.6
93.03466	3.7
95.05047	13.8
97.02977	2.7
99.04513	6.0
101.02451	12.8
107.05044	20.4
108.02183	1.7
109.06575	1.5
113.01692	2.1
113.02454	21.2
119.03514	6.2
121.02952	2.7
122.03736	11.9
123.04562	2.5
125.06081	3.9
133.03049	1.6
133.06618	3.8
135.04515	2.4
137.02415	2.0
143.03513	2.9
150.03233	77.6
151.03612	1.7
151.07668	7.8
151.85173	1.4
161.02487	1.8
161.04543	1.8
165.05580	100.0
166.05920	4.0
169.08708	13.2
173.04594	1.5
174.43169	1.4
176.86714	1.4
179.03493	1.6
179.05652	8.3
191.05617	3.0
195.06635	14.5
213.07686	30.1
229.62706	1.5
231.05103	5.4
237.07765	2.9
244.02953	2.5
250.48468	1.5
255.08690	11.9
257.06699	2.7
267.08713	1.8
284.54102	1.3
285.09619	1.7
339.10831	1.8
347.13531	1.5
357.11942	39.2
358.12152	2.5
372.41263	1.5
375.12949	74.0
376.13190	4.3
417.13919	8.7
445.13406	7.5
459.15042	3.3
471.15067	3.0
519.17157	35.0
520.17371	3.2
571.20367	52.9
572.20764	5.7
733.25055	5.2
793.23633	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.1
58.00580	2.0
59.01376	79.9
60.01702	0.7
67.01884	8.3
68.99816	12.7
69.03450	28.0
71.01379	45.1
72.99296	1.3
73.02937	1.3
83.01396	1.7
85.02953	7.9
87.00865	2.9
89.02438	53.9
90.02802	0.8
93.03458	2.6
95.01392	3.6
95.05021	37.4
96.05355	0.9
99.00912	0.9
99.04523	2.5
101.02437	40.5
107.05040	0.8
109.02972	0.8
110.05052	0.6
111.00868	18.9
111.04436	0.6
113.02441	17.0
114.02757	0.7
119.03503	25.0
119.04950	4.0
121.02950	100.0
121.06538	4.6
122.03285	2.5
123.03631	1.2
123.04517	20.9
125.02440	0.8
127.04008	14.5
131.03517	4.0
134.03732	0.7
135.04535	1.4
137.02460	1.0
137.06099	2.4
138.99294	1.0
139.00366	19.2
139.03987	2.9
143.03499	7.6
147.04486	6.8
149.02414	4.4
149.04570	2.3
150.03256	1.6
155.03485	0.6
161.02467	1.2
161.04581	9.4
163.03975	1.8
165.05548	18.8
179.05632	60.1
179.07130	10.1
180.05974	2.3
181.05002	3.7
191.03499	3.8
191.05518	1.1
193.05069	2.0
195.06590	0.9
209.04509	3.2
223.06096	45.0
224.06468	2.5
241.07106	5.6
301.09131	1.1
333.08279	2.4
371.09790	49.9
372.10318	3.5
375.12863	0.8
403.12387	54.2
404.12671	4.7
405.13696	2.3
519.24768	1.0
661.14130	0.7
793.25208	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	793.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55392	0.3
59.01376	1.1
61.98840	1.3
65.81828	0.3
70.10269	0.5
71.01366	0.3
73.02950	1.2
75.00871	1.9
75.74352	0.2
83.61240	0.2
96.95942	0.3
98.22551	0.3
99.00857	1.3
99.92583	10.7
100.92586	0.4
100.93283	0.3
114.93401	0.5
116.92858	100.0
116.97249	12.2
117.01945	3.2
117.92878	2.7
128.30595	0.3
243.47598	0.3
277.21552	0.4
294.84174	0.3
335.17563	1.2
397.13376	0.3
443.08838	0.3
496.86072	0.3
668.07562	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.5
61.44963	0.3
67.01891	24.2
68.99817	17.6
69.03460	2.9
69.57639	0.6
69.58003	0.5
70.00146	0.3
71.01381	1.7
85.02940	0.4
89.02449	1.0
93.03457	0.4
95.05028	100.0
96.05354	2.4
97.02943	0.6
98.21904	0.5
99.00918	0.3
99.04539	0.9
101.02444	33.2
102.02775	0.5
111.00145	0.6
111.00889	11.1
111.04524	1.1
112.01671	1.1
119.05029	0.8
121.02961	12.5
121.03837	0.6
121.06602	0.5
122.03282	0.3
123.04552	2.2
125.02409	0.5
127.04015	65.0
128.04361	1.8
137.06070	0.7
139.00380	27.6
139.04013	17.6
140.00667	0.4
140.04308	0.4
143.03354	0.3
147.04514	1.4
149.02481	0.6
153.05527	0.4
160.58490	0.3
163.04018	0.4
165.05551	6.2
171.02998	0.9
179.07108	0.4
181.05040	0.8
191.05569	0.6
195.06639	0.3
197.08200	0.4
209.04546	3.5
213.07533	0.4
223.06102	0.9
227.09248	0.8
241.07179	49.0
242.07475	2.0
273.09790	4.1
468.53571	0.4
518.23242	0.6
519.24341	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	793.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.8
60.99302	1.0
61.29361	0.4
63.93984	0.3
66.91215	0.4
67.01878	0.8
68.99805	0.5
69.03456	20.9
71.01382	2.5
79.01890	1.1
81.03422	0.5
85.02934	0.4
85.44692	0.4
87.00886	0.7
89.02440	2.5
93.03476	0.5
95.05022	3.0
95.97610	0.3
97.02953	100.0
98.03281	1.1
101.02447	1.2
105.03470	2.4
108.02179	1.8
111.04559	0.4
113.02440	1.6
119.03480	0.8
121.02954	3.0
121.06578	0.4
123.04528	41.1
125.64752	0.4
126.15456	0.4
127.04031	0.5
127.18874	0.3
133.01433	0.6
138.17244	0.4
139.69975	0.4
141.01993	0.5
149.06079	3.7
163.11191	0.4
164.07220	0.9
167.07133	33.7
168.07526	0.6
179.05714	0.9
181.08788	0.8
191.05594	0.8
199.09789	4.9
234.76534	0.4
243.08777	3.1
244.02840	2.0
246.73270	0.4
373.11359	0.6
389.10742	1.0
465.55569	0.5
549.25586	8.5
550.25812	0.7
604.07300	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
64.69185	1.5
65.00338	1.8
69.11668	1.4
69.52951	5.3
75.89329	1.3
96.86301	1.7
97.30959	1.6
103.34757	1.5
133.03055	1.7
140.22250	1.6
148.14856	1.6
148.77972	1.4
151.00362	2.7
156.89063	1.4
188.17253	1.6
189.92639	1.5
226.81476	1.7
255.02977	100.0
256.03668	21.5
283.02478	81.3
284.03241	91.1
285.04022	85.7
286.04398	4.3
296.03204	1.8
304.53210	1.7
373.12860	2.2
445.07675	2.4
446.08597	12.0
447.09274	24.7
633.30634	28.3
634.31165	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	799.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.7
69.03459	0.5
71.01370	3.2
73.02927	0.7
85.02963	2.2
89.02458	1.9
93.03479	1.5
95.05000	0.4
96.96014	3.4
97.02949	0.4
101.02448	1.8
105.13739	0.4
107.05028	0.8
109.02934	1.4
111.04543	0.4
113.02457	0.6
116.92870	0.7
117.03456	1.2
119.03477	0.6
119.53207	0.4
119.54483	0.3
121.02983	0.9
122.03767	0.5
123.04527	0.6
125.02536	0.3
131.07126	0.6
132.02188	1.4
133.02959	27.2
134.03761	3.4
135.04526	47.0
136.04857	1.7
137.02415	1.0
143.03482	0.4
149.02470	1.4
149.06090	0.6
150.03217	3.3
155.03456	0.5
159.04553	0.7
161.02443	100.0
162.02800	4.1
163.03983	0.5
165.01935	0.9
165.05548	4.2
166.06250	0.6
173.04620	0.9
173.06110	1.4
177.01941	1.7
177.05521	0.4
179.03494	31.7
180.04050	1.5
191.05626	4.3
191.07123	0.7
193.05054	0.5
195.06636	3.4
196.06949	0.4
198.19710	0.4
202.01675	0.4
203.07198	0.6
217.05072	0.6
221.04553	0.9
225.07690	0.9
235.06100	0.6
255.02943	0.4
281.06732	0.8
283.02475	0.7
285.03888	0.9
295.08002	0.5
313.11313	0.5
421.14554	0.5
422.12479	0.4
445.05713	0.8
447.09018	0.5
457.13513	9.4
458.13794	0.7
475.14551	6.3
555.22467	0.6
607.10626	0.5
619.16809	2.8
637.17706	16.7
638.18030	1.4
707.34363	0.5
799.20746	30.9
800.21063	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	799.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90883	0.3
59.01381	3.0
69.03460	1.0
71.01372	1.5
72.99303	1.6
73.02956	0.4
74.46671	0.3
78.52999	0.4
81.03446	0.4
85.02955	4.5
87.00867	1.4
89.02448	1.0
93.03458	2.6
95.05024	0.8
101.02438	1.1
107.05024	1.0
108.02152	0.6
109.02964	1.0
111.04554	0.5
113.02423	0.7
119.03594	0.3
119.05012	0.5
123.04597	0.5
127.04027	1.0
133.02963	1.3
133.06549	0.4
135.04546	3.1
136.01672	1.8
137.02446	100.0
138.02766	2.5
139.04021	1.0
151.03986	1.5
161.02434	3.9
169.05096	0.5
173.04555	1.3
177.05553	0.4
179.03503	1.6
180.59280	0.4
191.05608	55.1
192.05940	3.4
193.06047	1.3
213.04124	0.7
221.08191	1.4
239.09062	0.6
244.02878	0.7
248.81627	0.4
283.08133	0.5
293.12515	0.5
351.07269	1.1
353.08752	7.8
354.09033	0.7
428.83337	0.5
445.13501	65.6
446.13806	5.2
447.13971	0.4
505.15579	0.7
565.05286	0.4
578.22522	0.5
705.44836	0.4
789.12177	0.4
799.23352	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.1
61.98807	0.9
67.01881	6.4
69.03452	1.4
71.01386	8.2
73.02961	0.9
76.33685	1.1
85.02951	8.4
87.00873	3.1
89.02451	2.5
93.03462	26.6
95.05059	1.2
97.02965	1.0
99.04533	1.1
101.02451	2.6
103.63755	0.9
107.05004	2.0
109.02946	2.4
111.00826	1.5
111.04512	6.8
113.02453	1.4
115.00369	3.2
119.05024	1.1
123.04494	1.1
127.04021	2.9
133.01463	6.6
133.02953	13.1
134.03763	4.5
135.04530	93.7
136.04848	2.6
137.02434	6.1
155.03465	3.0
161.02448	42.6
163.03973	1.7
173.04555	95.1
174.04918	2.7
179.03502	71.9
179.26488	0.9
180.03845	1.3
191.05624	90.0
192.05936	3.0
244.02768	1.9
281.06784	1.5
341.08652	3.7
351.07098	1.8
352.07590	1.6
353.08774	100.0
354.09067	3.8
375.12933	1.5
445.13504	75.9
446.13901	4.4
509.37372	1.0
731.66168	1.0
764.38562	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
67.78579	0.3
71.01380	11.9
72.99332	0.3
87.00873	0.3
88.21695	0.3
93.03463	0.7
96.96011	0.7
107.96341	0.3
109.02857	0.3
115.00377	7.2
119.05030	39.5
120.05388	1.6
133.01434	10.1
135.04482	0.7
161.02454	0.5
163.04010	100.0
164.04353	4.3
165.04495	0.4
179.03467	0.4
181.05119	0.6
191.05489	0.5
193.05063	0.7
211.05870	0.3
279.05090	8.7
280.05414	0.5
281.06387	0.3
307.08456	0.9
351.73648	0.3
469.52823	0.3
710.15668	0.3
796.90839	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.7
59.01379	27.1
61.98801	1.7
65.00323	1.4
66.00562	0.9
67.01888	7.8
69.03462	2.8
71.01380	30.1
72.99300	2.2
73.02951	15.1
81.03459	1.5
83.01403	5.9
83.05030	1.5
85.02947	13.9
86.69161	0.9
87.00864	4.1
87.04520	1.9
88.98828	1.6
89.02444	10.4
93.03457	54.7
95.01417	1.5
96.95990	3.3
97.02955	2.2
99.00893	5.5
101.02442	22.0
107.01429	1.8
109.02953	2.9
111.00889	3.8
111.04515	10.4
113.02452	9.8
114.10664	0.9
116.92844	4.4
117.03471	0.9
119.03509	1.3
119.05019	3.3
119.50790	0.8
123.04502	1.5
125.02504	1.0
129.20383	0.8
131.03563	1.2
133.02975	2.8
134.03711	1.4
135.04509	6.5
136.01675	1.4
137.02455	15.8
138.02782	0.8
143.03508	1.6
145.02959	3.7
148.63521	0.9
150.03198	2.5
151.00404	4.4
151.03960	1.5
153.01923	1.0
155.03499	10.8
159.04384	1.3
161.02470	6.0
161.04514	3.7
163.04022	2.7
165.00108	2.5
173.04544	92.0
174.04857	3.0
177.01903	1.0
179.03496	3.9
179.05598	1.0
181.12369	2.3
185.11864	1.5
191.05615	13.9
195.06625	1.2
204.04224	7.2
219.06630	4.0
225.11319	3.8
249.07599	3.0
269.04639	1.0
284.03217	1.1
285.04102	2.8
291.12326	2.2
303.18140	6.6
316.32208	1.0
316.97928	1.5
317.01263	14.7
318.01691	1.3
319.07983	1.7
347.11142	1.6
347.17090	3.9
369.15436	2.2
435.22141	1.3
479.21304	47.4
480.21735	4.7
549.22491	1.1
607.23779	2.2
619.23761	7.4
620.23706	1.3
653.26587	100.0
654.26886	11.7
799.30341	17.9
799.43414	1.4
800.30951	2.8
809.95099	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.0
58.00621	0.6
58.48639	0.6
59.01379	22.5
60.99303	0.9
61.98822	1.3
65.00331	1.6
65.03973	0.6
67.01885	6.0
68.99824	1.2
69.03465	2.7
71.01381	23.2
72.99294	1.5
73.02942	10.4
79.08849	0.5
81.03458	1.4
82.95432	0.8
83.01384	4.2
83.05031	2.0
85.02950	11.2
86.00118	0.8
87.00887	2.4
89.02437	7.1
93.03458	48.9
94.03773	0.8
95.01393	1.8
96.95975	2.7
97.02962	2.5
99.00867	4.2
101.02441	19.5
107.01393	1.8
109.02953	2.7
111.00877	2.7
111.04525	8.4
113.02451	9.0
115.03996	0.9
116.92844	3.0
117.03484	1.5
119.03500	1.8
119.05035	4.0
121.02990	0.6
123.04492	1.1
124.39118	0.5
125.02473	1.6
127.04022	1.6
129.01915	0.9
131.03531	0.9
133.02948	3.1
134.03654	1.0
135.04535	5.3
136.01674	0.8
137.02448	16.6
139.00383	1.2
143.03502	1.3
145.03014	2.7
150.03252	1.2
151.00391	5.5
155.03514	10.1
159.03038	1.4
161.02454	7.8
161.04503	4.5
162.02779	0.9
163.03996	1.8
165.00151	2.0
165.05556	0.9
173.04558	88.1
174.04929	1.9
177.01939	0.9
177.05519	0.7
178.02704	0.7
179.03508	3.8
179.05608	0.9
181.12392	0.7
185.11909	1.0
191.05626	9.6
204.04262	4.7
205.64148	0.6
211.13020	0.5
219.06667	3.4
225.11334	2.5
227.55817	0.6
228.36739	0.6
249.07704	2.9
249.11342	0.8
255.03264	0.9
284.03220	1.6
285.03860	1.3
291.12360	0.8
303.18063	6.0
317.01257	16.3
318.01511	1.7
319.08328	1.7
347.11307	1.2
347.17050	3.4
359.15814	0.6
369.15692	1.2
398.38657	0.6
428.36923	0.7
435.22696	0.8
461.20065	0.9
479.21335	47.7
480.21521	3.0
607.23926	1.9
619.23846	4.9
653.26593	100.0
654.26984	7.9
799.30450	16.0
799.44739	1.1
800.30450	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	800.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
61.98829	100.0
62.98521	0.1
69.93189	0.2
71.01396	0.2
89.02463	0.3
101.02459	0.3
113.02422	0.1
148.05420	0.1
154.05916	0.1
161.02565	0.1
336.65186	0.1
407.47449	0.1
574.90680	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
61.98829	100.0
62.98521	0.1
69.93189	0.2
71.01396	0.2
89.02463	0.3
101.02459	0.3
113.02422	0.1
148.05420	0.1
154.05916	0.1
161.02565	0.1
336.65186	0.1
407.47449	0.1
574.90680	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	801.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58227	0.1
59.01372	0.3
61.17289	0.1
61.98821	0.3
63.02386	1.0
63.02684	0.1
65.00295	0.5
68.99796	0.1
69.03421	0.1
70.23330	0.1
70.74249	0.1
71.01370	0.2
80.66367	0.1
93.03468	0.2
95.01395	0.3
101.02444	0.3
103.01963	0.1
105.03393	0.1
107.01383	0.8
117.03462	2.2
121.02930	0.1
128.16019	0.1
135.04515	0.2
137.02495	0.1
149.02432	0.8
151.00360	0.6
155.03534	0.8
155.04785	0.1
157.06561	0.2
159.04541	1.1
161.02432	0.6
163.07674	0.1
169.06584	0.3
180.05811	0.2
181.06554	0.3
183.04491	0.4
191.05641	0.1
196.05293	0.3
197.06067	0.4
199.03998	0.2
201.05545	0.4
224.04799	0.3
225.05589	0.8
227.03506	0.4
239.03540	0.2
240.04283	0.2
241.05212	0.1
268.03775	4.7
269.04538	100.0
270.04868	3.7
283.06061	0.3
285.04025	0.2
311.05627	0.2
332.75974	0.1
404.52802	0.1
414.29700	0.1
480.28491	0.1
537.14130	0.2
569.13208	0.7
607.14490	0.1
621.15491	0.1
801.22357	1.9
802.23651	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	14.2
61.98826	0.6
67.01889	2.9
68.99823	6.7
69.03468	1.9
71.01387	6.6
71.46540	0.3
72.99327	0.4
73.02953	0.5
81.03440	0.6
83.01364	0.3
85.02958	2.0
87.00871	0.6
89.02445	9.3
89.03435	0.3
89.03970	2.3
89.42162	0.3
91.01905	0.5
91.31487	0.2
93.03458	1.8
95.01379	0.4
96.96017	4.3
101.02446	16.5
101.06180	0.3
102.02771	0.3
104.02621	0.5
105.03454	4.0
107.05024	1.2
109.02950	0.4
111.64190	0.2
113.02467	2.6
116.92846	1.0
119.03508	3.2
121.02948	2.2
121.06599	0.7
125.02348	0.3
127.04022	8.9
127.04961	0.5
131.03535	0.4
133.02960	10.8
134.03751	0.5
135.04506	2.3
137.02438	0.4
143.03485	0.9
147.04482	0.4
149.02454	1.2
150.03191	0.9
150.85732	0.2
151.00325	0.2
151.04028	0.6
153.05598	1.9
161.02448	3.3
161.04497	0.8
162.02776	0.4
163.04019	0.5
165.01877	0.3
165.05560	1.0
166.02663	0.4
173.04610	0.5
173.06126	0.8
176.01143	0.8
177.01929	100.0
178.02274	3.3
179.03531	1.9
179.05618	1.3
181.05095	0.4
187.07684	0.3
191.05620	4.0
191.07137	0.5
192.05956	0.7
193.05058	0.6
195.06674	0.9
198.91057	0.3
205.08640	0.5
207.06560	0.3
217.05042	0.3
221.04449	0.3
227.09267	11.3
228.09607	0.4
231.06625	0.8
244.31461	0.3
249.07674	0.5
255.03076	0.4
269.04483	0.3
284.03122	0.7
285.03967	0.9
341.08749	1.4
343.36139	0.3
345.15527	0.6
353.08881	0.5
397.11264	0.3
411.12823	0.7
429.13931	3.6
446.06042	0.6
447.07324	1.0
467.98141	0.3
537.20117	1.2
569.18707	8.2
570.19250	0.8
607.20453	0.4
608.12109	0.3
609.11694	0.3
639.23199	1.5
640.73212	0.3
801.28253	11.3
802.28558	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	801.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.5
58.00589	1.4
59.01379	45.4
62.91471	0.6
67.01875	0.7
68.99802	2.2
69.03430	1.8
71.01382	40.4
71.45287	0.8
72.99300	1.0
73.02947	15.0
75.00881	1.0
78.53510	0.8
83.01392	5.2
84.70279	0.7
85.02950	16.6
86.00053	0.7
87.00863	3.6
88.98822	0.8
89.02445	23.7
93.03455	1.6
95.01398	3.5
96.95997	1.8
97.02946	2.6
99.00880	9.2
101.02449	28.0
101.52396	0.7
111.00877	3.5
113.02449	12.8
115.03987	1.1
116.92857	1.3
118.23339	0.6
119.03530	4.0
125.02433	3.6
127.00377	1.7
129.01912	0.8
131.03517	2.2
133.02927	3.1
135.04494	3.2
137.02438	2.0
141.01950	0.9
143.03496	1.3
149.04539	1.7
151.00308	0.8
155.03491	1.1
159.02950	1.4
161.02489	5.3
161.04584	4.0
161.68886	0.7
162.03180	2.5
173.04530	1.3
177.05560	1.0
179.03510	2.2
191.05583	6.6
269.04456	2.0
285.03995	4.4
337.03445	1.1
345.29990	2.6
347.16974	1.9
479.21561	1.0
507.35410	2.9
633.35999	0.7
669.40833	2.9
801.44855	100.0
802.45007	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	801.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.1
59.01380	40.7
60.99295	1.1
61.98833	1.4
67.01874	1.0
68.99843	1.2
69.03451	1.3
71.01382	39.0
72.99308	1.4
73.02951	12.9
75.00865	1.3
78.95857	0.7
81.03453	1.4
83.01395	5.3
85.02956	13.5
87.00871	3.4
88.98815	5.1
89.02444	24.4
93.03461	3.4
95.01390	3.2
96.96018	5.2
97.02974	3.4
99.00880	7.9
101.02449	24.6
103.01476	0.7
111.00880	2.3
113.01709	0.8
113.02455	11.9
115.04024	1.4
116.92848	1.7
119.03539	4.5
125.02432	2.9
129.01938	1.1
131.03516	1.6
133.02937	2.7
134.03741	0.9
135.04533	4.8
137.02454	1.5
142.28905	0.9
143.03484	1.7
149.04506	1.1
150.03259	1.1
151.00386	1.2
151.04001	0.9
155.03403	1.0
159.03050	1.3
161.02495	4.6
161.04555	4.0
165.05450	0.9
171.13863	0.9
173.04521	2.3
179.03477	2.3
191.05598	7.1
205.05247	0.8
209.11885	1.8
227.12796	0.9
233.06564	0.9
249.09862	0.9
255.03101	1.9
256.03476	1.1
269.04520	4.2
283.02490	1.2
284.03296	2.0
285.04163	5.2
294.05194	1.1
345.30048	2.6
431.10980	0.8
447.09097	1.0
475.10410	1.3
507.12881	1.0
507.35309	3.7
592.14081	1.4
639.39807	1.7
669.40991	2.1
709.63629	0.7
801.44873	100.0
802.45337	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	801.4645
Annotation	Tarecilioside D
Peak:m/z	Relative Intensity
57.03454	2.1
58.11909	1.0
59.01381	17.4
60.81963	0.9
60.99277	0.9
61.98824	2.6
70.69127	2.3
71.01382	14.5
71.29465	0.9
73.02941	5.5
78.17637	1.0
83.01385	2.9
85.02958	8.5
87.00863	2.0
89.02441	4.4
95.01363	1.7
96.96040	1.5
97.03037	1.1
99.00916	1.9
101.02448	9.3
113.02487	5.0
116.46550	1.1
119.03527	2.1
135.04512	1.1
155.21608	1.0
158.88857	1.2
160.84216	1.2
161.02435	1.7
161.04562	1.6
163.07651	3.2
285.03952	1.8
545.54449	1.1
583.38855	1.2
621.40021	1.3
639.41241	4.8
745.43658	1.6
783.45691	3.1
801.46448	100.0
802.47034	13.6
805.16711	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4643
Annotation	Tarecilioside D
Peak:m/z	Relative Intensity
56.72921	0.7
57.03446	1.5
58.37576	0.6
59.01380	20.3
60.99304	0.9
61.98818	1.9
62.83402	0.7
70.96631	1.3
71.01383	16.8
73.02951	5.8
83.01405	3.8
85.02950	8.8
87.00860	1.6
94.67486	0.7
95.01373	2.0
97.02943	1.9
99.00868	1.6
101.02434	11.6
107.05029	0.7
109.02937	0.7
113.02438	6.3
116.92886	0.6
119.03498	1.7
133.02968	0.8
135.04506	1.3
143.03577	1.1
161.02452	2.4
161.04549	1.8
163.07678	1.9
191.05716	1.1
191.07666	0.6
214.88989	0.7
269.04523	1.2
383.25204	0.6
441.33997	1.4
468.62643	0.7
477.35986	1.0
583.38751	1.2
621.39594	3.2
639.41064	4.3
740.52618	0.7
745.44208	1.7
746.43799	0.8
783.45166	5.2
784.45728	0.8
801.46417	100.0
802.46918	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.6
59.01377	42.7
61.91751	1.1
61.98833	18.4
66.79451	0.9
69.03461	1.8
71.01380	50.5
72.99317	1.6
73.02943	17.5
75.00853	1.6
83.01386	9.5
85.02948	25.8
85.66443	0.9
86.23720	1.0
87.00884	2.5
89.02449	15.1
93.03428	1.2
95.01373	5.5
96.96014	2.6
97.02950	2.9
99.00886	4.3
101.02444	35.7
102.02692	1.1
107.01390	1.2
109.02926	1.0
111.00916	1.4
113.02445	23.0
114.01597	1.1
119.03495	4.7
121.46427	0.9
125.02456	1.9
129.01955	1.5
131.03471	1.0
133.02950	2.2
134.03735	1.2
135.04546	3.0
137.02385	1.3
143.03503	1.1
151.00372	1.8
159.03006	2.2
161.02438	3.0
161.04527	6.3
163.07666	2.0
168.64319	0.9
179.03653	1.4
191.05606	1.9
231.77768	1.0
268.03769	1.4
269.04544	31.0
270.04852	2.0
285.04056	2.9
335.13672	1.1
639.40979	2.3
801.46460	100.0
802.47107	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	803.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.8
63.02412	0.6
65.00354	0.5
67.01912	0.2
68.99797	0.4
69.03455	0.6
69.36420	0.5
69.36819	0.3
71.01380	1.3
73.02946	0.2
83.01378	0.5
85.02970	0.5
89.02432	1.2
93.03437	0.4
95.01393	0.7
96.95995	0.3
97.02957	0.7
98.21884	0.4
101.02447	1.1
101.03018	0.2
107.01378	1.2
109.02934	0.4
113.02470	0.5
116.92844	0.3
119.03485	0.2
121.02968	0.7
123.04485	0.5
133.02943	2.6
134.03761	0.2
135.04510	0.5
137.02405	0.2
141.58308	0.2
149.02444	1.2
151.00365	3.1
155.03490	0.6
161.02487	0.4
161.04639	0.2
171.04459	0.3
175.04002	1.3
177.01875	0.3
179.05629	0.9
191.05669	0.3
195.06734	0.2
199.03970	1.6
201.01945	0.4
215.03514	0.2
217.05045	1.3
225.07777	0.2
241.05049	0.8
243.02988	0.4
256.03735	0.8
257.04340	0.4
267.03082	0.3
269.04395	0.3
283.02545	0.3
284.03265	16.3
285.04028	100.0
286.04385	5.8
287.05783	0.2
295.60623	0.2
297.04034	0.3
327.04907	0.9
442.78125	0.2
447.09299	24.8
448.09659	1.8
511.14459	0.5
515.27716	0.3
515.36993	0.2
571.10907	2.9
609.14557	0.6
674.26318	0.3
802.45380	1.6
803.20398	20.1
803.45013	0.6
804.20575	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	803.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
63.02390	0.9
65.00352	0.7
69.03460	0.4
69.31797	0.8
75.00868	0.3
83.01421	0.4
89.02451	0.5
93.03471	0.3
95.89565	0.2
97.02938	0.3
103.45727	0.1
105.03519	0.3
107.01374	1.2
109.02975	0.5
113.02403	0.2
121.02962	0.7
123.04514	0.5
132.02060	0.2
133.02963	3.1
134.03767	0.2
135.04521	0.5
147.04572	0.2
149.02422	1.5
149.06070	0.3
151.00378	2.8
171.04564	0.2
175.04007	1.2
177.01935	0.3
185.06172	0.3
187.03986	0.2
189.05548	0.2
191.05592	0.5
197.06044	0.2
198.03183	0.3
199.04037	1.5
200.04819	0.2
201.01994	0.4
211.04170	0.2
213.05669	0.3
215.03622	0.3
217.05083	0.9
227.03421	0.4
229.05186	0.3
239.03467	0.2
241.04993	0.8
243.03047	0.5
255.02934	0.5
256.03748	1.0
257.04562	0.3
267.02908	0.3
268.03668	0.2
269.04361	0.2
283.02411	0.2
284.03271	21.4
285.04034	100.0
286.04379	4.5
297.03955	0.5
327.05078	1.2
332.70859	0.2
335.05777	0.3
337.06866	0.2
355.10425	0.2
365.06580	0.8
417.09930	0.2
427.10312	0.2
427.16132	0.2
447.09311	26.4
448.09656	1.5
473.10873	0.3
517.09711	0.3
527.11768	0.3
571.11115	1.7
609.14838	0.3
623.13770	0.3
641.14893	1.6
803.20343	27.0
804.20868	3.0
825.84186	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57088	0.3
57.52567	0.2
59.01379	1.5
63.02417	0.6
65.00340	0.4
68.99792	0.3
71.01386	1.1
83.01387	0.4
85.02974	0.4
88.33879	0.4
89.02457	1.1
90.91658	0.2
91.53218	0.2
95.01389	0.3
98.22704	0.6
101.02444	0.8
107.01410	0.8
109.02948	0.4
113.02450	0.4
119.03488	0.3
121.02902	0.6
123.04527	0.5
133.02957	3.8
143.05090	0.3
149.02438	1.5
151.00383	2.5
153.05557	0.4
175.04022	1.3
177.01996	0.5
179.05585	0.5
191.05666	0.5
199.04031	1.5
201.01985	0.4
205.79083	0.3
217.05099	0.9
239.03485	0.4
241.05043	0.5
243.03218	0.4
255.03049	0.3
256.03842	0.7
257.04688	0.4
284.03271	15.3
285.04037	100.0
286.04391	5.0
297.04077	0.9
309.04059	0.4
319.05975	0.5
327.05096	0.9
335.05750	0.5
337.07352	0.4
355.10388	0.4
364.37659	0.3
365.06741	1.6
367.70602	0.3
417.10056	0.4
447.09317	24.0
448.09485	1.3
511.14771	0.4
527.12518	0.4
571.10809	2.1
581.77203	0.4
641.15088	4.0
653.26801	0.3
692.54480	0.3
803.20398	19.3
804.20618	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	803.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.1
60.99310	1.6
65.00314	1.5
68.99805	1.7
69.24877	7.4
71.01369	6.9
72.99329	1.3
75.27454	1.2
85.02969	1.6
87.00887	1.5
88.98790	10.0
89.02428	5.6
89.47153	1.3
93.03440	2.1
98.22581	3.3
101.02428	4.3
101.19221	1.2
109.02936	2.7
111.00921	1.3
113.02447	2.0
119.03453	1.4
119.05019	1.6
123.04537	1.6
133.02956	34.1
134.03694	1.4
135.04507	5.0
150.50931	1.5
155.03459	1.5
155.86874	1.3
159.04477	1.3
161.02403	7.7
163.00360	6.9
163.03958	1.4
173.02368	1.8
173.04585	2.0
173.05971	2.5
175.03978	4.4
177.05571	1.7
185.02373	1.5
187.03975	2.0
191.05580	5.5
196.59337	1.3
197.06087	1.9
199.03986	3.8
201.01930	3.9
221.04469	1.8
224.04797	1.5
225.05614	2.0
227.03439	2.4
229.05040	1.9
239.07127	2.1
253.05057	2.4
255.02921	3.6
269.04520	5.4
283.05911	1.4
284.03284	7.1
285.04108	11.0
293.04526	4.8
294.05283	2.8
297.04034	77.4
298.04700	7.7
307.06079	3.5
309.04001	17.6
310.04642	3.9
311.05511	7.7
319.06091	12.7
321.04044	4.0
321.07648	2.5
322.04648	3.7
335.05557	17.7
336.06107	4.9
337.07129	10.9
347.05496	5.4
348.06345	5.2
361.06863	2.8
363.04776	2.3
364.05835	9.4
365.06635	49.6
366.07162	3.0
373.10834	3.4
387.08661	3.8
388.09473	1.5
389.10437	9.0
391.08139	2.5
409.05591	3.3
415.08057	3.5
416.09048	2.3
417.09833	36.8
418.10205	3.0
435.10812	3.2
461.08624	2.3
527.12018	16.5
553.13721	1.8
571.11011	8.1
579.14856	7.3
597.16064	7.9
623.13940	2.4
641.15161	56.2
642.15302	5.3
759.21191	3.2
803.20343	100.0
804.20770	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	803.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57088	0.3
57.52567	0.2
59.01379	1.5
63.02417	0.6
65.00340	0.4
68.99792	0.3
71.01386	1.1
83.01387	0.4
85.02974	0.4
88.33879	0.4
89.02457	1.1
90.91658	0.2
91.53218	0.2
95.01389	0.3
98.22704	0.6
101.02444	0.8
107.01410	0.8
109.02948	0.4
113.02450	0.4
119.03488	0.3
121.02902	0.6
123.04527	0.5
133.02957	3.8
143.05090	0.3
149.02438	1.5
151.00383	2.5
153.05557	0.4
175.04022	1.3
177.01996	0.5
179.05585	0.5
191.05666	0.5
199.04031	1.5
201.01985	0.4
205.79083	0.3
217.05099	0.9
239.03485	0.4
241.05043	0.5
243.03218	0.4
255.03049	0.3
256.03842	0.7
257.04688	0.4
284.03271	15.3
285.04037	100.0
286.04391	5.0
297.04077	0.9
309.04059	0.4
319.05975	0.5
327.05096	0.9
335.05750	0.5
337.07352	0.4
355.10388	0.4
364.37659	0.3
365.06741	1.6
367.70602	0.3
417.10056	0.4
447.09317	24.0
448.09485	1.3
511.14771	0.4
527.12518	0.4
571.10809	2.1
581.77203	0.4
641.15088	4.0
653.26801	0.3
692.54480	0.3
803.20398	19.3
804.20618	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	803.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	13.3
61.18147	0.4
61.98828	1.4
63.02421	0.8
65.00341	0.8
68.14567	0.3
68.99821	2.6
69.03449	3.2
69.12025	2.3
71.01379	7.4
73.02974	0.5
75.00867	0.7
75.46838	0.4
83.01401	0.9
85.02939	2.0
87.00880	0.8
88.98838	0.8
89.02444	8.6
92.74747	0.3
93.03473	1.9
95.01376	2.2
95.05025	0.4
96.96014	2.9
97.02946	1.5
101.02435	6.0
105.03471	0.5
107.01424	1.0
108.02220	0.4
109.02962	0.9
113.02447	2.8
116.92875	1.1
119.03516	3.0
119.05070	0.4
121.02949	1.9
123.04514	3.8
125.02477	0.5
131.03537	0.5
133.02969	4.3
135.04533	3.8
137.02466	0.6
143.03549	0.4
147.04515	0.7
149.02452	3.1
149.06093	1.2
150.03264	0.5
151.00345	3.4
151.04053	0.6
153.05659	0.5
155.03514	4.8
161.02449	3.6
161.04596	1.1
165.05589	0.7
173.04510	0.5
175.03998	1.8
177.01994	0.8
178.09471	0.4
179.03619	1.8
179.05615	8.0
181.05138	0.5
187.04050	0.5
191.05624	3.1
193.05011	3.6
199.04047	1.5
201.01910	0.6
213.05557	0.4
217.05064	1.0
225.07677	0.8
235.06056	0.8
241.05049	0.8
255.03038	0.4
256.03622	1.2
269.04483	1.0
284.03256	17.0
285.04034	100.0
286.04382	5.9
327.04977	0.8
352.08197	0.5
353.08810	0.7
355.10449	2.4
373.11337	1.3
387.12973	0.4
405.23944	0.4
447.09314	24.6
448.09433	2.2
457.13388	0.6
459.14429	0.4
511.14627	5.8
527.12262	0.5
571.10962	2.3
581.18988	0.6
609.14307	0.5
641.13562	0.3
641.20178	0.4
802.44812	0.9
803.20306	25.3
803.44061	1.0
804.20459	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	803.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.9
63.02409	0.7
63.77845	0.3
65.00332	0.9
68.99815	1.1
69.03465	0.5
71.01383	2.7
81.76434	0.2
83.01392	0.7
84.36433	0.2
85.02960	0.7
86.78487	0.2
89.02458	1.1
93.03487	0.4
95.01382	0.5
97.02925	1.3
98.22658	0.5
101.02463	1.8
105.03444	0.4
107.01383	1.5
109.02930	0.4
113.02412	0.6
119.05029	2.0
121.02939	0.6
123.04498	0.5
133.02960	4.8
135.04544	0.8
143.05017	0.4
145.03029	0.3
149.02454	1.3
151.00360	3.6
155.03555	0.3
161.02451	1.1
161.05922	0.3
168.47742	0.3
173.05962	0.4
175.04031	1.8
177.01903	0.5
185.06012	0.5
187.04021	0.4
197.06000	0.4
198.03264	0.4
198.85469	0.3
199.03989	1.5
201.01938	0.8
211.04036	0.5
211.47685	0.3
213.05521	0.4
215.03473	0.5
217.05029	1.0
229.05183	0.3
241.04984	0.8
243.03012	0.4
245.04582	0.4
255.02878	0.4
256.03690	0.6
257.04611	0.3
267.03098	0.4
269.04553	0.3
283.02338	0.3
284.03259	17.1
285.04031	100.0
286.04370	4.6
297.03949	0.7
327.05026	0.8
333.07736	0.3
333.35999	0.2
339.75989	0.2
343.92932	0.3
365.06482	0.6
365.10431	0.4
399.33978	0.3
429.08368	0.7
447.09326	1.2
527.11920	6.9
528.12427	0.6
571.10748	0.5
579.15088	0.6
597.15948	2.2
641.18719	4.8
642.19757	0.3
803.20349	27.5
804.20697	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02428	0.4
59.01382	10.9
61.98836	1.4
63.02420	1.2
65.00324	2.6
65.66666	0.4
68.99818	6.5
69.03464	1.2
69.12373	2.5
71.01378	5.8
73.02951	0.9
78.95947	0.5
83.01419	0.9
85.02968	1.6
89.02454	4.1
91.47069	0.4
93.03465	4.7
93.04007	0.4
95.01417	1.5
96.95997	0.8
97.02967	1.2
100.99053	0.4
101.02452	9.6
107.01388	2.2
109.02962	1.3
113.02467	1.9
116.92836	0.9
117.03496	1.1
119.03553	1.6
119.05031	24.6
121.02978	2.1
123.04601	0.7
125.02447	0.8
127.04106	0.5
131.05026	0.5
133.01460	0.8
133.02953	7.5
135.04550	3.3
137.02472	0.6
141.03445	1.1
143.05040	2.9
145.02972	2.9
147.04565	0.7
148.01749	0.5
148.59714	0.4
149.02458	2.0
151.00369	6.7
151.03992	0.5
153.05617	0.5
155.03557	1.8
158.03751	0.6
161.02444	6.1
162.02869	0.7
163.00372	2.5
163.04062	2.3
164.04929	0.4
165.01955	0.5
169.02930	0.7
169.06448	0.5
171.04561	1.0
173.04582	0.9
173.06017	0.4
175.00336	0.8
175.03987	2.3
176.01170	0.6
177.01947	3.4
177.05548	1.0
179.03476	1.1
179.05553	0.6
185.02477	1.9
185.06091	1.8
187.04021	3.9
189.01952	1.5
189.12921	0.5
190.02757	0.7
191.05623	1.6
193.05133	0.7
195.06638	0.8
197.06111	1.8
198.03285	0.7
199.04030	2.7
200.04686	0.5
201.01947	1.5
201.05659	0.4
203.03543	0.9
209.06017	0.4
211.04073	0.8
213.01956	3.5
213.05638	0.8
215.07094	0.4
217.05066	1.5
219.06476	0.5
221.04562	0.9
227.03578	0.8
228.00699	0.4
229.01459	1.1
229.05063	1.0
237.05583	1.1
239.07008	0.7
241.05103	1.5
243.02968	2.0
245.04507	3.9
255.03088	0.8
256.03754	0.9
257.00827	0.9
257.04620	1.2
259.06177	0.8
265.05063	1.5
267.02902	0.7
269.04578	1.0
271.06110	2.1
279.06494	0.7
281.04599	0.7
283.06122	4.0
284.03268	18.4
285.04041	100.0
286.04333	6.0
287.05536	0.6
289.03369	0.8
296.06784	2.0
297.04315	0.6
297.07654	1.0
307.06000	1.2
309.04117	1.1
327.05096	1.0
333.07660	1.9
363.08688	0.9
365.10391	2.2
377.06293	2.0
377.10806	0.6
385.10803	0.9
403.11914	2.1
409.09235	6.0
429.09457	1.9
447.09482	1.5
461.12570	2.8
474.96182	0.4
511.78751	0.5
527.11871	6.2
528.12140	0.8
565.17029	0.5
571.11151	0.6
597.16260	2.1
598.16949	0.6
609.16022	0.8
641.18756	58.7
642.19116	5.5
761.22797	0.4
802.45795	2.1
803.20142	28.4
804.20764	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	803.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.6
61.98827	15.6
63.02387	2.2
63.99251	1.3
65.00334	1.0
68.55903	0.5
68.99817	2.5
71.01385	3.8
73.49092	0.5
74.38681	0.5
76.83378	0.5
83.01403	0.9
85.02951	1.2
89.02446	1.3
93.03455	1.3
95.01389	2.1
101.02471	2.7
107.01401	2.5
113.02487	0.8
116.92867	0.6
117.03452	5.4
119.03490	0.6
121.02969	0.7
125.02469	0.5
133.02963	1.7
135.04498	2.1
139.65366	0.5
149.02428	2.3
150.06813	1.0
151.00304	2.2
155.03479	2.4
159.04549	3.2
159.05721	0.6
159.67123	0.6
160.05281	1.5
161.02440	6.7
163.07642	1.3
169.06616	0.7
171.04501	0.7
172.05296	12.0
173.06039	1.0
183.04539	1.8
185.06078	2.8
186.06810	0.6
187.03972	1.8
191.05624	1.2
196.05132	0.7
197.06035	3.3
198.06793	0.9
199.04034	3.8
200.04752	3.8
201.05548	2.7
202.06293	0.7
204.04221	1.0
211.04053	1.1
213.05606	1.3
214.06294	0.8
224.04718	0.9
225.05539	1.9
227.03502	14.7
227.10890	0.7
228.04279	7.0
255.13918	1.2
257.15414	0.7
267.13855	1.1
268.03690	4.0
269.04526	100.0
270.04849	5.3
283.13376	41.5
284.03152	0.8
284.13806	2.8
285.04156	2.5
297.14780	0.6
301.14407	10.9
302.14691	0.9
309.14920	7.0
311.12872	4.9
325.14468	2.2
327.12314	13.5
327.15976	3.4
328.12686	1.1
329.13898	4.7
343.15509	1.2
345.13370	5.8
345.17023	1.2
353.13901	7.0
369.13287	2.7
371.14954	30.6
372.15356	2.0
387.14444	1.2
429.15234	1.1
431.09787	2.2
471.16135	0.7
473.18488	0.7
489.11081	1.0
489.17719	10.0
533.20270	21.3
534.20416	1.1
689.13354	0.6
729.15747	0.6
759.22833	6.6
785.30243	0.9
802.42920	1.1
803.25531	42.4
803.41449	4.2
804.26343	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	803.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.2
63.02404	2.3
65.00333	1.6
68.99823	5.9
69.03466	1.2
70.82089	0.7
71.01378	3.7
73.02977	0.7
81.41302	0.6
85.02947	1.8
89.02436	2.0
95.01393	3.7
101.02443	9.6
105.40517	0.8
107.01392	2.8
109.02937	1.0
113.02477	1.6
117.03461	5.8
119.03487	0.7
123.04546	4.0
125.02415	0.7
130.04245	0.9
133.02946	0.9
135.04517	1.6
149.02393	1.8
151.00368	2.6
151.04065	0.8
154.87573	0.6
155.03502	9.3
159.04514	3.4
160.05258	1.8
161.02425	2.5
161.04539	1.5
169.06526	0.9
171.04478	0.9
172.05310	10.2
173.05984	1.2
179.05528	0.8
183.04517	2.2
185.06033	2.2
186.06833	1.4
187.04041	2.1
191.05641	1.9
196.05273	0.7
197.06064	2.4
199.03969	4.3
200.04726	4.2
201.05557	3.1
202.06326	0.7
211.07573	1.2
213.05528	0.8
224.04797	1.3
225.05492	1.7
225.07565	1.3
227.03510	14.1
227.10843	0.8
227.84734	0.7
228.04245	5.7
232.60638	0.7
233.45584	0.8
239.07205	1.1
239.14468	0.8
246.84772	0.7
257.15451	0.8
268.03711	3.8
269.04538	100.0
270.04916	6.0
283.13406	35.9
283.16193	0.7
284.13651	2.2
285.04135	1.0
301.14447	10.1
309.14981	7.0
311.12921	6.4
325.14365	3.0
327.12320	13.4
327.15988	3.3
328.12549	0.9
329.13815	3.6
343.15451	0.9
345.13431	6.2
345.17029	1.7
353.13889	5.6
369.13403	1.6
371.14984	30.7
372.15292	2.7
387.14383	1.4
413.16205	1.6
429.15433	2.0
431.09888	2.4
437.07660	0.7
471.15485	2.9
489.17712	11.9
533.20251	16.5
534.20599	2.6
595.21478	0.8
759.22821	5.4
760.23462	1.3
803.25592	41.6
803.40515	2.1
804.26300	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	803.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.0
60.94682	0.8
61.98832	17.4
63.02394	2.4
65.00317	1.4
71.01380	5.3
73.02935	1.8
83.01389	1.0
85.02970	1.6
89.02415	1.9
90.74526	0.7
93.03451	2.4
95.01385	1.0
95.99909	0.7
96.96004	1.5
98.21876	1.9
101.02453	3.2
107.01388	2.9
113.02454	0.9
116.92800	1.0
117.03456	5.6
119.05042	1.0
132.02167	10.1
133.02919	1.3
134.03670	2.9
135.04515	1.4
137.02452	2.1
140.64651	0.8
146.03729	3.0
148.05328	3.1
149.02461	1.8
150.06831	2.3
151.00343	3.0
155.03522	1.3
158.03732	2.6
159.04468	2.5
160.01659	28.7
161.02419	4.4
161.69803	0.8
162.03156	3.3
162.06757	0.8
163.07536	1.1
171.04431	1.5
171.36476	1.0
172.05273	2.6
173.05977	1.4
174.03220	6.6
174.06863	1.3
175.04063	1.4
176.04785	3.4
179.03506	1.3
179.05701	1.0
183.04411	1.4
185.02406	2.9
185.06035	0.9
186.03255	1.6
187.03952	2.3
187.07690	1.5
188.04768	0.8
191.05557	1.4
196.05206	1.0
197.06082	1.4
199.04008	2.9
200.04800	8.0
201.05463	1.9
202.02707	2.3
202.06308	1.2
211.76590	0.8
213.05511	2.2
224.04742	1.7
225.05640	1.5
227.03381	1.2
228.04288	1.3
229.09120	0.8
257.15500	7.9
268.03796	3.5
269.04547	100.0
270.04849	6.8
271.06308	1.2
281.15518	1.2
285.04108	4.3
285.15186	0.9
299.16547	17.2
299.86441	0.9
300.16788	0.9
309.14886	1.4
317.17438	4.5
325.14438	13.9
326.14896	1.3
327.16003	9.5
343.15497	38.6
344.15860	3.2
345.17087	2.5
353.13873	7.4
371.14990	44.5
372.15329	3.4
398.73761	0.9
413.15936	1.3
431.09872	1.3
446.04935	0.9
447.22543	1.6
473.17538	0.9
533.20306	15.9
534.20422	1.9
564.67523	1.0
621.39490	1.2
622.40411	5.6
623.40619	2.6
641.42462	1.9
802.44171	1.8
803.25568	75.3
803.44110	3.2
804.25781	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	803.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62088	1.2
59.01376	100.0
60.01711	1.6
61.98827	6.9
67.01875	3.5
68.99811	26.5
69.03447	18.4
69.26835	6.8
71.01381	64.4
71.01780	3.2
72.99302	2.0
73.02953	7.1
75.00848	2.1
83.01385	3.9
85.02946	15.1
86.23032	1.3
87.00867	6.2
88.98804	3.2
89.02443	79.3
93.03461	7.2
95.01379	32.1
95.05019	2.0
96.96019	2.8
97.02935	5.7
99.00892	3.1
101.02441	69.4
103.05514	1.8
105.03452	2.5
107.01419	1.4
107.04999	1.7
111.00835	1.9
111.04514	4.0
113.02446	25.4
116.92873	11.1
119.03493	25.6
119.05004	3.9
121.02965	11.7
121.06564	2.4
123.00832	3.1
123.04519	56.2
125.02370	1.6
131.03453	4.1
133.02977	8.1
135.04523	8.3
137.02443	3.4
141.67755	1.7
143.03532	8.7
143.04533	2.0
147.04478	3.5
149.02457	14.4
149.04497	1.9
149.06090	9.9
155.03500	71.1
161.02444	14.8
161.04562	14.0
163.04002	3.5
165.01901	4.1
165.05556	2.3
175.03979	4.0
177.01903	2.0
179.03535	4.0
179.05605	96.8
180.05959	1.9
181.05032	4.7
183.02937	1.9
191.05653	4.8
193.05064	23.2
207.06636	4.3
217.05103	3.1
225.07634	17.2
235.06093	9.9
243.34309	1.4
269.04526	4.2
284.03226	1.6
285.03976	17.5
286.04358	2.2
313.09406	1.7
323.76590	1.5
326.43875	1.4
355.10443	9.6
373.11240	14.1
387.13000	12.1
404.98096	1.5
415.12317	9.5
447.09302	2.0
475.14331	4.1
511.14590	81.5
511.21286	3.3
512.15070	6.7
575.91364	1.5
581.18707	27.9
582.19061	1.6
727.94373	1.6
741.32928	3.0
743.24640	3.2
802.45282	19.2
803.22852	3.0
803.45673	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	803.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.6
58.00600	1.1
59.01377	100.0
60.01670	0.8
64.51711	0.8
67.01875	2.8
68.99813	26.2
69.03449	15.0
71.01380	59.6
72.99295	3.9
73.02945	4.7
75.00867	1.5
79.01884	1.3
79.19090	1.0
81.03460	1.5
83.01383	2.9
85.02953	11.5
87.00867	5.8
89.02444	72.8
93.03459	6.8
95.01393	18.4
95.05028	1.8
96.95989	2.5
97.02945	6.2
98.21860	1.7
99.00871	1.6
99.92597	1.5
101.02438	51.4
106.04233	1.3
107.05026	1.4
108.02170	2.1
109.02955	1.1
111.00874	1.3
111.04573	2.4
113.01692	1.8
113.02443	25.9
115.00328	0.9
116.92873	12.7
117.92845	1.1
119.03500	26.0
119.05001	3.9
121.02953	9.8
121.06617	3.3
123.00882	3.4
123.04520	42.2
124.04824	1.2
125.02433	2.8
131.03479	3.7
131.04984	2.3
133.02966	5.3
135.04509	16.3
137.02396	1.3
137.06079	1.5
143.03467	6.6
143.29141	0.8
146.03738	2.9
147.04521	2.2
149.02437	12.6
149.04556	3.3
149.06062	8.4
151.03992	1.1
155.03499	39.0
159.04507	2.2
161.02486	6.6
161.04552	10.6
161.05930	1.8
162.02797	1.6
163.03979	1.4
164.04831	1.4
165.01965	1.8
165.05550	3.6
173.04514	2.6
173.05960	1.3
175.04012	7.5
176.53198	0.8
177.01909	10.9
177.05431	1.2
178.02364	1.0
179.03520	8.6
179.05611	59.6
179.07053	3.5
181.05087	3.9
183.02974	2.5
189.05571	1.3
191.05640	8.0
193.05067	17.9
207.06616	1.7
225.07684	10.7
235.06042	1.8
243.06767	1.3
253.07146	3.5
269.04523	1.4
269.07935	0.8
284.03201	3.4
285.01135	1.6
285.04022	22.5
286.04416	2.1
301.07278	1.1
347.16931	1.5
355.10309	28.5
356.10666	1.4
356.38608	0.9
373.11319	11.0
387.12943	3.1
415.12405	12.9
417.09833	1.7
445.13629	1.5
447.09238	6.1
457.13437	3.2
461.20343	8.1
475.14563	5.1
479.21323	10.2
511.14648	15.8
512.14679	1.2
521.22437	1.5
581.19104	2.1
641.18146	1.2
711.21057	1.9
743.24060	8.8
803.22534	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	803.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74147	0.4
57.03438	1.7
58.00595	0.4
59.01382	17.4
59.36982	0.3
63.67584	0.3
69.03443	1.5
69.47295	1.1
71.01382	32.5
72.01775	0.5
72.99295	0.6
73.02945	16.0
73.65676	0.4
75.00870	1.6
77.55057	0.3
81.03468	0.7
83.01384	5.1
85.02951	16.3
87.00877	1.7
89.02445	6.9
89.02944	0.7
93.03473	0.5
95.01380	2.3
96.95995	0.5
97.02971	2.2
98.22599	0.7
99.00884	7.2
99.04505	0.5
101.02444	29.5
102.02755	0.6
109.02993	0.7
111.00900	0.5
113.01701	0.7
113.02456	12.2
115.04013	1.0
123.04462	0.4
125.02433	2.8
127.03979	0.4
129.01906	0.8
131.03447	1.5
131.04375	0.4
135.04503	0.5
143.03493	1.8
149.04550	0.7
152.74023	0.4
159.03011	2.3
161.02515	0.6
161.04558	15.8
173.04564	0.6
191.05539	2.0
201.00882	0.6
221.08339	0.9
230.32594	0.4
233.06705	1.9
269.10315	19.2
270.10550	0.5
293.08685	1.1
307.08575	0.8
310.00467	0.4
319.13876	0.7
401.14508	100.0
402.14975	4.2
428.82382	0.4
803.23010	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	1.4
59.01371	11.4
59.77431	1.4
61.98824	6.8
68.99829	2.0
69.03440	1.4
71.01385	8.4
71.43986	1.6
72.99297	1.4
73.02930	1.8
85.02941	2.8
87.00857	2.1
89.02454	4.7
96.96024	2.4
101.02450	5.6
113.02451	2.6
116.92857	4.7
117.03429	3.6
119.03450	1.6
123.04489	1.3
133.02962	15.2
134.03644	1.6
135.04543	8.1
136.05313	7.2
137.02403	1.7
149.06061	6.5
150.06865	37.2
151.00429	2.4
155.03493	5.1
159.04524	2.2
161.02457	34.3
162.06859	4.3
163.07643	12.0
164.08401	6.5
165.09154	3.1
173.15692	1.7
174.03339	3.3
174.06659	1.5
177.09193	4.1
178.10027	1.9
179.03510	5.1
179.10750	12.7
191.05655	2.9
225.05620	1.6
241.95035	1.6
251.23662	2.3
253.21692	4.2
268.03711	2.7
269.04526	46.5
270.04962	4.0
283.13382	2.9
284.03381	2.2
285.04135	10.5
297.24423	2.5
299.22250	8.2
301.14539	2.1
309.14853	3.6
327.15903	1.8
329.14053	11.5
346.14175	1.5
371.15073	7.0
418.30862	5.5
431.09470	1.7
432.32355	3.3
433.33182	8.2
451.13797	2.0
459.31244	2.0
460.31903	1.5
461.32657	2.9
473.10922	6.4
478.32843	13.0
479.33759	38.7
480.33936	3.1
515.19421	2.3
533.20471	2.5
641.39008	11.0
657.53009	1.5
803.26349	9.4
803.44122	100.0
804.28601	2.2
804.44604	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	803.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.7
58.00611	1.7
59.01379	84.8
61.98815	2.8
69.03442	1.3
69.85567	2.6
71.01380	58.3
72.99300	2.7
73.02944	10.6
79.93383	0.8
83.01389	4.7
85.02950	24.3
87.00879	2.0
89.02444	33.0
92.58910	0.8
95.01381	5.6
96.96007	3.0
97.02943	1.1
98.22517	1.3
99.00859	3.6
101.02441	28.2
113.02448	19.0
119.03494	9.9
125.02505	1.4
131.03421	0.9
133.02940	1.5
133.51595	0.8
135.04500	1.2
135.94621	1.0
143.03426	1.2
146.54378	0.8
151.00356	1.0
155.03476	1.1
159.02989	1.3
160.38297	0.8
161.02409	1.8
161.04555	7.2
171.85391	0.9
179.03474	1.8
179.05577	1.9
191.05577	2.1
248.04417	0.9
253.82874	0.9
268.03778	1.6
268.07178	1.0
269.04568	12.7
270.04834	1.3
285.03983	3.1
354.29498	0.8
356.97739	0.9
371.15100	0.9
434.11023	0.8
461.36523	1.5
471.72955	0.8
579.42444	3.5
592.12366	2.3
623.41650	48.5
624.41711	3.4
641.42419	1.8
803.47943	100.0
804.48334	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	805.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.9
59.01379	7.9
59.51293	0.3
61.98834	1.1
62.17784	0.3
63.02403	1.8
65.00324	13.5
68.99809	1.0
69.03457	1.2
70.45705	0.4
70.46040	0.4
71.01378	3.1
73.81783	0.4
81.03470	0.5
83.01384	6.4
85.02961	1.1
87.00894	0.6
88.98787	0.4
89.02420	3.0
93.03461	1.6
95.01392	0.8
95.05054	0.7
97.02948	0.9
101.02451	1.6
105.03474	0.4
107.01392	19.5
107.05029	0.5
108.99329	0.4
109.02962	2.0
111.00858	0.5
113.02434	1.4
117.03481	0.5
119.03510	1.3
119.05067	1.1
121.02977	1.3
122.03756	1.2
123.04504	1.0
124.01672	0.5
125.02444	9.9
127.03996	0.5
131.01346	1.0
133.02989	1.6
134.03740	1.5
135.04526	66.6
136.04872	1.1
137.02469	2.5
137.06079	0.6
145.02914	0.6
147.17560	0.4
149.02434	2.4
149.06099	0.8
150.03230	9.5
151.00369	100.0
152.00684	1.8
159.04517	1.2
161.02437	3.5
161.04584	0.5
163.00369	1.9
163.04053	1.4
164.04811	0.5
165.01898	2.7
165.05569	12.2
169.01428	5.1
171.10231	0.6
173.04507	0.7
174.03397	0.4
175.00366	5.3
177.01889	1.8
179.03554	1.9
179.05658	1.1
180.04297	1.2
187.04045	0.9
187.07545	0.5
191.05649	3.3
193.01460	2.0
193.05058	1.2
195.06618	9.5
201.05577	0.4
205.05031	0.7
225.05650	0.5
225.07629	0.5
231.03044	1.8
239.06979	0.6
257.08221	0.9
269.04504	1.1
283.06088	0.8
285.03995	1.6
286.04333	0.8
287.05603	65.0
288.06006	2.8
299.05402	0.8
311.05765	0.7
327.08594	0.9
331.06693	4.5
339.08722	1.0
339.12418	0.5
342.10953	0.9
343.21198	1.3
347.17139	0.7
354.11105	1.0
355.10303	1.1
357.13434	3.8
367.08328	0.9
369.13425	4.1
419.11166	0.4
437.13956	0.5
449.10925	6.6
450.10675	0.4
463.12552	0.6
481.13638	0.8
583.21851	7.2
584.21851	0.4
599.17761	1.0
643.16528	9.9
644.16718	0.9
669.16376	2.5
805.21765	17.8
806.21838	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	805.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.9
59.01379	5.2
61.98819	1.5
63.02393	1.6
65.00325	12.2
68.99823	1.7
69.03445	1.5
71.01376	3.3
71.07014	0.6
71.47070	0.7
73.02940	1.6
83.01395	6.2
85.02944	2.0
89.02435	2.4
93.03458	2.1
95.01378	0.7
96.96003	1.0
97.02944	0.9
101.02454	2.7
106.69800	0.7
107.01394	18.8
107.02131	1.0
109.02956	1.8
113.02452	1.7
115.40903	0.6
119.03486	1.0
121.02928	0.9
123.04545	1.7
125.02464	8.1
133.02882	0.8
134.03749	1.4
135.04527	63.9
136.04855	1.3
137.02472	1.9
149.02396	1.7
149.36678	0.7
150.03226	2.4
151.00374	100.0
152.00716	1.1
155.03459	0.7
161.02470	3.8
161.04526	0.9
161.21625	0.7
165.01921	7.5
165.05566	2.9
166.02673	1.4
166.06320	0.9
169.01418	2.0
175.00383	4.4
177.01910	1.7
179.03479	2.2
179.05678	1.2
180.04277	4.3
181.05075	1.7
191.05585	3.2
193.01421	1.3
193.05104	1.2
195.06616	5.3
225.07658	4.4
269.04529	1.0
285.03967	2.7
286.04431	1.8
287.05612	76.1
288.05966	1.4
311.05618	1.0
331.06674	2.1
343.21140	0.9
347.17334	0.9
355.10257	1.8
357.13815	0.7
398.38510	0.6
417.15860	1.5
449.10767	5.9
461.20444	4.2
479.21423	3.0
595.22015	2.5
643.24213	1.8
669.17114	1.5
713.35803	0.8
733.05292	0.9
805.21582	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	805.22
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.0
58.30556	0.3
59.01382	6.6
61.98824	1.3
63.02401	0.8
65.00327	16.9
65.27422	0.3
68.99821	0.4
69.03471	1.7
70.19492	0.3
71.01388	3.5
72.66171	0.4
73.02967	0.7
83.01395	6.2
85.02965	0.9
89.02451	2.3
89.40257	0.3
90.10410	0.3
91.26177	0.4
93.03477	1.2
95.01395	0.8
96.95999	0.8
97.02971	2.6
98.22640	1.0
101.02442	2.9
107.01394	24.1
108.99309	0.6
109.02960	2.0
113.02453	1.1
116.92860	0.4
119.03500	1.1
121.02946	0.6
123.04524	1.0
125.02452	7.8
129.01944	0.7
131.01373	0.9
133.01384	0.6
133.02985	2.5
134.03764	1.7
134.89496	0.9
135.04532	58.4
136.04851	0.9
137.02457	0.7
144.70236	0.4
149.02441	0.8
151.00375	100.0
152.00674	1.7
153.02037	0.4
155.03470	0.9
159.04517	0.5
161.02451	5.9
165.01929	1.1
169.01427	1.3
173.04620	0.8
175.00343	3.8
175.03836	0.5
177.01924	1.3
179.03516	0.9
185.11797	0.6
189.01945	0.5
191.03616	0.7
191.05643	0.7
193.01443	1.0
195.20726	0.3
217.01593	0.6
220.60747	0.4
269.04550	1.2
284.03244	1.1
285.04037	9.9
286.04395	4.7
287.05627	25.4
288.06039	0.5
322.23434	0.4
337.09158	0.6
357.34650	0.4
517.15662	8.7
529.13123	0.8
538.43622	0.4
580.41919	0.4
594.28882	0.4
599.17615	1.1
611.81439	0.5
613.28687	0.5
647.91925	0.4
669.16486	1.1
805.21851	35.4
806.21759	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	805.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56795	0.8
58.63359	1.0
59.01379	13.7
61.98830	2.9
65.00323	11.6
67.01889	3.2
68.99832	2.3
69.03436	1.8
71.01377	8.5
73.02943	1.4
73.73854	0.9
81.03486	1.2
83.01397	4.6
85.02967	3.1
85.19967	1.2
85.81340	1.1
87.00876	1.5
88.98781	1.2
89.02448	7.1
91.05531	1.1
93.03471	5.7
95.05014	5.5
96.95989	0.9
98.21864	2.7
101.02457	7.3
103.80180	1.2
107.01360	2.1
107.05054	2.5
108.02175	1.0
109.02946	4.4
111.00896	3.0
113.02433	2.6
115.14337	1.1
117.03461	2.3
117.09973	1.1
119.03497	2.6
119.05040	9.1
121.02985	3.9
122.14831	1.1
123.04520	1.4
124.01665	3.6
125.02455	9.4
127.04011	1.6
133.02966	6.3
134.03745	2.4
135.00920	2.1
135.04532	83.5
136.04872	1.4
137.02452	19.6
137.06075	6.1
143.05019	3.4
145.02977	4.9
145.06558	1.5
147.08136	1.8
149.02388	1.3
149.99637	2.0
150.03221	2.3
151.00378	8.2
151.04041	5.2
159.04533	6.5
161.02451	14.8
161.06093	3.5
163.00372	20.3
163.04008	11.9
165.01917	5.7
166.02670	1.6
171.08180	2.6
173.04553	3.9
173.05949	1.4
176.01195	2.2
177.01942	4.2
177.05524	1.2
179.03510	3.0
179.05586	1.3
180.04361	1.1
181.05069	2.3
185.02542	1.3
187.03983	14.3
187.07605	1.5
188.04773	1.3
189.01852	1.6
189.09174	1.6
189.43646	1.1
191.05611	7.5
191.07088	1.3
192.06038	1.3
197.06030	2.6
201.05609	2.7
203.03540	3.8
205.05017	11.6
213.01932	1.4
213.05559	2.2
213.09065	2.6
215.07138	2.9
225.07704	1.5
231.02989	17.6
239.05287	1.3
239.07309	2.1
245.04510	1.4
249.03925	2.6
255.06624	1.4
257.04410	1.6
257.08182	13.3
264.17599	1.2
269.04565	7.4
271.08316	2.0
283.06204	7.2
284.03232	2.5
285.04108	8.2
299.05661	7.0
301.07187	2.9
353.08667	1.2
367.08224	9.5
411.07077	3.4
419.11453	5.9
437.13623	6.7
447.09180	5.7
453.08322	1.1
463.12625	6.8
481.13519	12.7
495.28455	1.2
507.11411	2.4
599.17834	12.3
643.16663	100.0
644.16980	6.6
661.98114	1.2
738.18475	1.2
805.21649	17.2
805.33258	1.2
806.22546	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	805.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.7
60.99281	0.5
65.00323	0.5
65.44698	0.5
67.01882	1.5
68.80846	0.5
68.99815	0.5
69.03465	0.6
73.74817	0.5
83.05045	0.6
87.00884	1.1
93.03462	8.6
106.17585	0.5
107.01401	1.3
109.02923	0.7
111.04527	1.6
133.02979	2.5
134.03732	1.3
135.04547	0.8
137.02423	1.2
149.02455	0.5
151.00395	2.2
155.03506	0.8
173.04555	26.2
174.04921	0.8
175.04021	0.8
176.43130	0.5
181.12843	0.6
183.10274	3.8
191.05554	0.7
199.03963	1.0
217.05145	0.6
227.03477	0.9
256.03802	1.7
284.03262	39.3
285.04041	88.1
286.04395	3.8
327.05090	1.3
357.09894	3.4
357.15530	15.3
358.15854	1.0
447.09314	100.0
448.09631	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	805.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17586	1.0
57.03448	1.1
58.85969	1.3
59.01384	8.9
61.98840	5.9
63.02359	1.1
65.00316	4.5
67.01881	1.4
69.03435	1.5
69.62872	1.3
71.01387	5.4
75.65424	1.1
81.03449	1.2
83.01384	2.7
85.02943	3.5
87.00906	1.1
88.78415	1.3
89.02445	4.8
93.03475	2.2
95.01393	2.5
96.96000	1.7
97.02928	2.3
101.02454	5.0
107.01398	8.4
109.02939	5.9
113.02460	2.0
116.92898	1.8
119.03501	1.7
121.03012	2.0
125.02456	4.9
133.02939	2.0
135.04535	33.5
135.77223	1.0
136.01707	3.0
136.04865	1.2
137.02449	29.9
137.06071	1.7
146.03729	1.6
149.02440	2.4
150.03217	4.8
151.00371	35.7
151.04010	5.5
152.01041	1.3
152.04790	3.7
153.05576	1.3
155.03516	1.6
159.04539	2.1
161.02441	5.3
161.04680	1.1
161.06020	1.7
163.00398	3.4
163.04039	2.7
164.01120	2.7
165.01932	100.0
165.05586	5.3
166.02728	17.9
166.06244	1.2
167.03522	2.9
169.01375	1.5
175.00360	1.3
175.03984	3.2
177.01984	4.0
177.05530	2.0
179.03508	21.8
179.05215	1.9
179.05617	1.5
179.07138	2.7
180.04280	59.6
181.05054	28.0
187.04016	3.0
191.05624	3.7
192.04353	1.5
193.05029	3.1
194.05835	3.6
195.06630	67.2
196.06944	3.2
205.04996	6.5
207.06693	2.7
210.05330	9.5
220.07410	3.4
225.07678	54.3
226.08034	1.8
231.02992	2.9
257.08148	1.5
258.77393	1.1
284.03342	1.9
285.04025	6.7
286.04507	2.8
287.05612	24.5
288.05807	2.3
323.05771	1.3
331.06738	1.1
367.08139	1.6
369.13510	1.9
387.10422	2.0
387.14728	3.1
402.13058	3.4
416.14673	4.2
417.15567	47.5
418.15891	3.5
437.13968	1.8
447.09128	2.0
449.10733	2.0
462.20499	2.7
479.21225	2.1
480.21725	1.5
481.13712	1.7
481.21893	2.7
565.17554	2.2
595.21887	49.4
596.22498	5.5
599.17596	1.5
643.16193	7.2
643.25031	27.1
644.24548	3.2
669.16821	1.7
805.20557	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	806.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.5
58.00608	0.5
58.79787	0.4
59.01382	46.7
60.01718	0.6
65.24026	0.4
67.01894	1.3
69.03458	30.9
69.48530	1.6
70.03799	0.6
71.01385	22.7
72.99321	0.6
73.02972	0.7
73.89438	0.5
81.03473	0.6
83.01377	1.0
85.02961	4.1
87.00868	1.4
89.02444	26.1
93.03460	9.1
95.01402	2.0
95.05009	0.7
97.02953	41.0
98.03273	1.4
101.02449	11.7
103.20660	0.5
105.03469	2.5
105.07150	0.4
107.05039	0.6
108.02188	2.1
113.02451	7.8
114.02791	0.6
119.02660	0.7
119.03507	9.4
119.05002	0.9
121.02937	1.3
121.06584	1.6
123.04530	9.2
131.03529	0.9
131.05028	0.6
138.01974	29.9
141.01926	2.5
143.03540	1.1
147.04483	0.9
149.04877	1.0
149.06091	15.7
150.06438	0.8
154.29010	0.4
161.02487	0.6
161.04507	1.3
167.07137	5.6
173.04517	0.7
177.29265	0.4
179.04146	0.6
179.05582	3.6
182.06010	0.5
191.05611	1.0
193.05063	29.7
194.05412	1.8
197.96458	0.4
214.20908	0.5
329.08917	0.5
373.11395	100.0
374.11734	7.1
387.19931	0.8
388.20752	0.8
431.15588	0.6
432.15286	0.6
556.65332	0.6
773.81396	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.2
59.01387	1.0
60.99311	0.2
61.98822	0.8
62.04213	0.2
63.02393	0.4
65.00331	1.2
67.01881	1.3
69.03445	0.4
71.01382	1.4
71.45251	0.2
81.03442	0.3
83.01392	0.7
83.05037	0.4
85.02980	0.3
87.00909	0.2
88.75031	0.2
89.02441	0.2
93.03458	7.7
94.03799	0.3
95.01419	0.2
96.96018	0.4
101.02460	0.5
105.03451	0.3
107.01409	2.1
109.02975	0.5
111.00891	0.6
111.04512	1.6
113.02493	0.3
116.92911	0.3
121.02959	0.3
127.04038	0.3
132.02139	0.2
133.02959	10.0
134.03326	0.6
135.04521	1.3
137.02457	2.0
139.11313	0.3
149.02448	2.0
150.03195	0.3
151.00374	5.6
153.02031	0.2
155.03529	2.0
161.02464	1.6
165.05580	0.3
169.06630	0.2
171.04532	0.5
173.04555	37.5
174.04907	0.9
175.03986	3.1
177.01941	0.5
179.03517	0.4
185.06071	0.3
185.11836	8.5
186.12154	0.4
187.04031	0.2
191.05669	0.6
198.03200	0.3
199.04015	2.5
201.01942	0.8
213.05659	0.5
215.03545	0.4
217.05037	1.7
223.03845	0.2
241.05060	0.9
242.01997	0.2
243.02989	0.6
255.02931	0.4
256.03409	0.3
257.04529	0.5
267.03156	0.2
269.04575	0.4
283.02661	0.4
284.03177	0.4
285.04044	100.0
286.04355	5.4
287.05017	0.4
300.10165	0.3
331.11716	0.2
359.17120	38.7
360.17462	2.3
521.20288	2.5
522.20044	0.4
807.21283	0.4
807.39545	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
59.01381	37.6
60.01708	0.7
60.90480	0.4
67.01888	0.5
69.03457	47.1
71.01383	20.8
72.99304	0.7
73.02939	1.2
79.36752	0.4
81.03454	2.4
83.01367	1.3
85.02954	4.4
87.00858	1.1
89.02445	18.9
92.14790	0.4
93.03474	0.5
94.84670	0.5
95.01371	1.8
95.05035	5.8
97.02954	1.3
99.00875	0.5
99.04524	3.5
101.02449	10.0
105.03442	1.4
107.05020	2.3
110.30268	0.4
113.02457	8.3
119.03507	6.1
119.05019	1.8
121.02982	2.5
121.06606	10.1
123.04521	1.3
123.26911	0.4
125.06100	2.7
136.12846	0.4
139.07637	1.9
143.03510	2.7
149.04515	0.7
151.07652	14.2
161.04610	1.0
163.04019	1.4
165.05638	0.4
169.08728	4.3
179.05591	1.5
191.05574	1.5
193.05046	0.5
195.06645	9.6
209.04546	0.5
351.07269	0.5
354.00369	0.5
372.32889	0.4
375.12955	100.0
376.09088	0.6
376.13318	4.8
389.10953	5.7
431.15952	0.5
443.11874	0.6
465.87680	0.4
469.42917	0.5
538.74261	0.5
811.91064	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.6
61.98825	5.7
71.01376	3.4
85.02937	1.5
87.00829	1.0
88.98779	1.0
89.02455	2.0
92.62284	0.9
93.03452	3.6
95.01405	0.9
95.05019	0.9
96.96010	1.5
101.02455	3.2
108.02146	1.0
109.02969	1.1
113.02496	1.9
116.92887	3.2
121.02972	3.0
122.03748	8.7
123.04539	2.2
132.02193	1.2
133.02980	2.6
134.03740	1.0
135.04529	3.7
136.01637	1.7
137.02448	5.5
149.02443	11.5
150.03224	54.4
151.00357	1.9
151.03853	1.2
155.03458	0.8
155.10899	1.0
160.01689	3.4
161.02464	7.3
163.04056	0.9
164.04788	3.5
165.01920	26.7
165.05562	49.6
166.02399	0.8
166.05872	2.3
173.04501	2.4
175.03990	2.5
177.05566	2.6
179.03516	9.6
179.07111	2.0
179.16278	0.9
180.04280	19.2
181.04941	1.2
190.06374	3.0
191.05594	4.6
194.05841	2.4
195.06616	66.4
196.06966	2.2
203.07152	1.6
209.08186	3.0
210.05344	3.5
222.05196	1.4
225.07658	24.1
238.06229	1.8
240.07837	5.7
241.05136	1.6
253.05153	1.4
255.10245	1.1
256.07416	1.2
263.07001	1.6
267.06647	2.8
268.07422	11.1
269.04544	3.2
271.06174	1.0
279.06595	2.2
280.07404	2.5
281.08179	1.3
282.05319	1.1
283.06610	1.3
283.09811	8.5
284.03760	1.2
284.06918	3.4
285.03986	3.9
285.07654	0.9
293.04736	0.9
293.08041	1.3
294.05658	1.2
295.06006	2.6
295.09262	1.0
296.06870	4.6
297.07599	2.9
299.05936	1.3
299.09244	4.3
301.07138	3.2
308.06863	7.4
309.07773	8.2
309.11154	1.3
311.05753	1.7
311.09311	3.8
312.06467	8.5
312.09656	1.8
315.52371	1.0
322.08405	5.2
323.09253	14.9
324.06357	5.8
324.10037	8.8
325.07352	1.2
325.10956	1.8
326.08072	1.7
326.11487	1.6
327.08691	26.8
328.09305	2.1
337.10822	1.7
338.11594	5.3
339.08722	50.0
339.12415	5.5
340.09103	3.7
341.10159	3.3
342.11057	34.9
343.11591	6.1
354.11099	15.7
355.11795	3.6
356.12482	2.2
357.13425	90.8
358.13818	4.3
369.13412	100.0
370.13748	6.2
373.12912	9.3
421.14999	7.1
535.19745	1.2
565.20764	12.0
613.22894	8.0
614.23730	1.2
663.53992	1.0
713.25354	1.6
731.26807	2.0
761.28131	3.1
794.78180	1.0
809.41675	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	809.303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.8
61.98850	1.1
70.32143	0.5
71.01390	0.9
72.49638	0.4
85.02952	0.8
93.03464	4.5
95.01390	0.6
96.96062	0.5
101.02440	0.7
105.03506	0.6
108.02203	0.7
109.02988	1.1
118.04243	0.4
119.03434	0.4
121.02959	5.0
122.03752	16.7
123.04585	0.9
124.01685	0.5
125.02305	0.4
133.02969	2.3
134.03757	1.3
135.04506	1.1
136.01683	2.8
137.02432	2.7
137.29994	0.4
138.08304	0.4
146.03728	1.5
149.02443	18.1
149.06049	1.0
150.03226	100.0
151.00366	1.6
151.04044	6.4
161.02457	1.7
161.06105	0.6
162.03185	0.9
164.04851	4.1
165.05568	91.8
166.02718	3.9
166.05923	1.9
173.04552	0.6
177.02014	0.6
177.05594	1.2
179.03407	0.8
179.07137	5.3
180.04271	6.5
181.05060	6.4
182.15088	0.5
191.05632	0.7
192.04396	0.5
195.06624	66.1
196.06941	1.3
205.04994	1.5
219.06468	0.9
220.07434	0.8
235.45206	0.4
268.03464	0.4
387.14484	1.7
403.14081	0.6
413.17303	0.5
417.15549	7.9
535.15729	0.6
565.20709	12.1
566.20856	1.3
587.32709	0.5
595.21442	1.3
613.22931	3.5
667.23590	0.7
682.41870	0.5
713.25751	1.0
743.26654	1.5
761.28217	1.3
808.46545	0.6
809.30664	2.5
809.43970	0.7
810.30725	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.9
61.98812	0.5
68.99833	0.4
69.13040	2.1
69.61250	0.3
71.01380	0.4
93.03448	4.2
95.01395	0.7
95.05051	0.6
101.02477	0.5
105.03483	0.9
105.24750	0.3
108.02195	0.5
109.02965	1.6
117.03463	0.3
121.02964	6.3
122.03746	15.9
123.04520	1.0
124.01672	0.6
131.05009	0.3
132.02147	0.8
133.02966	2.7
134.03743	2.4
135.04527	1.3
136.01668	6.6
137.02458	4.5
138.03227	0.5
145.02939	1.0
146.03738	1.5
147.04504	0.8
148.01607	0.4
149.02451	25.4
149.06056	2.9
150.03229	100.0
151.00371	1.5
151.04019	16.7
152.01163	0.3
152.04820	1.5
153.01974	0.4
153.05595	0.4
159.04369	0.3
161.02454	0.7
161.06107	0.7
162.03246	1.5
163.03981	0.5
164.04791	5.4
165.05571	87.1
166.02715	5.5
166.05884	1.4
167.03481	0.7
175.04039	0.8
177.01985	0.4
177.05556	2.2
178.02716	0.6
179.03537	1.1
179.05634	0.7
179.07117	8.1
180.04283	6.6
181.05077	7.5
181.06618	0.2
187.03979	1.3
190.06371	0.7
191.03616	0.3
191.05548	0.8
191.07101	0.3
192.04259	0.6
193.05002	0.8
195.06627	45.5
196.06952	0.7
205.05070	1.7
207.06612	0.6
219.06563	1.5
220.07370	1.7
246.46935	0.3
269.04654	0.5
309.78873	0.4
315.08752	0.5
329.10172	0.6
346.92947	0.3
353.96326	0.4
361.55878	0.3
371.11453	0.4
376.73969	0.3
387.10480	0.8
387.14780	1.6
402.13342	0.6
403.13889	0.8
416.14838	0.8
417.15546	8.1
471.16550	0.5
507.15588	0.3
535.15729	0.6
549.17432	0.5
550.18329	0.8
551.19067	0.4
564.19812	1.1
565.20758	17.2
566.20502	0.9
583.21490	0.4
586.69165	0.4
595.21863	1.9
613.22815	5.5
619.21594	1.1
667.23480	1.2
713.26019	7.9
714.26593	0.8
725.25922	0.5
743.27087	3.8
761.28241	2.9
773.28015	0.7
791.28632	1.1
809.30084	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	809.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.9
61.98830	3.5
61.99073	0.7
71.01322	2.0
79.66448	0.7
89.02422	1.2
93.03404	2.9
96.95963	2.5
101.02383	2.4
109.02939	0.9
116.92815	1.0
121.02890	3.2
122.03752	6.7
123.04509	1.1
128.01390	0.7
132.02130	0.8
133.02885	2.3
134.03690	1.4
135.00842	0.9
135.04532	3.7
136.01659	1.4
137.02437	5.0
149.02429	13.0
149.06000	0.7
150.03232	45.0
151.00285	1.1
151.03842	1.7
155.03471	1.3
160.01639	4.9
161.02448	4.2
162.02974	0.8
163.04059	0.8
163.41447	0.7
164.04802	4.0
165.01938	20.0
165.05568	43.4
166.02641	0.8
166.05893	1.2
173.04517	1.7
175.03931	2.8
177.01884	0.8
177.05510	2.0
179.03523	4.9
179.07108	4.8
180.02861	0.9
180.04289	15.4
181.05022	1.3
190.06296	2.8
191.05577	2.3
194.05786	1.7
195.06622	61.5
196.06967	1.7
203.07210	0.9
210.05246	2.4
222.05255	1.8
224.08426	0.8
225.05635	1.6
225.07678	13.5
227.07074	1.4
237.05690	1.5
238.06317	3.0
239.03557	0.8
239.07050	1.8
240.07936	5.1
250.06435	0.8
251.07219	1.6
252.07982	1.1
253.05135	1.0
253.08722	1.2
255.03050	1.0
255.06548	0.8
255.10245	1.5
256.07446	2.6
266.05826	1.4
267.06580	2.2
268.07422	12.5
269.04498	2.4
269.07880	1.5
271.09729	1.3
279.06573	3.1
280.07333	3.5
282.05304	1.1
283.06390	1.8
283.09723	10.8
284.06824	3.2
285.04221	3.4
285.07162	0.8
291.06693	1.0
293.08075	2.2
294.05374	1.4
294.08954	1.5
294.43591	0.9
295.06024	2.4
296.06973	6.3
297.07587	4.8
298.08459	1.5
299.09259	5.1
300.09729	1.1
307.06171	1.8
308.06937	8.2
308.10425	1.3
309.07660	8.8
310.08228	1.2
311.05560	2.2
311.09277	5.2
312.06406	11.5
312.09772	1.6
313.10620	1.7
321.07877	1.4
322.08347	5.0
323.09229	14.8
324.06314	5.6
324.10037	8.8
325.07230	1.0
325.10837	1.2
326.07886	2.3
326.11401	0.8
327.08746	30.2
327.12564	2.0
328.09064	2.7
337.10840	2.3
338.11539	5.1
339.08725	46.2
339.12421	6.3
340.09055	4.6
341.10205	4.5
342.11075	35.6
343.11752	7.2
344.12265	0.9
354.11151	14.6
354.28745	0.9
355.11752	3.7
356.13000	1.0
357.13428	97.2
358.13892	6.1
369.13425	100.0
370.13785	6.6
373.12927	25.4
373.16644	0.6
374.13309	1.7
387.14539	1.2
421.15027	16.1
422.15140	1.1
565.20935	10.3
566.21582	1.2
613.22620	6.2
713.26526	2.2
731.26862	1.2
761.28857	2.3
809.28113	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69571	0.6
59.01377	4.4
61.98826	2.9
68.99840	0.8
69.03434	0.8
71.01375	3.0
79.34244	0.6
82.95468	0.7
85.02945	1.3
88.98822	1.0
89.02465	1.9
93.03473	4.8
95.01406	0.8
96.96051	1.1
101.02444	2.2
105.03457	0.9
108.02211	1.0
109.02959	1.3
110.32013	0.6
113.02489	0.7
121.02953	6.1
122.03747	16.8
123.04585	1.4
124.01662	1.2
132.02174	1.4
133.02951	3.1
134.03751	3.7
135.04504	2.3
136.01654	9.9
137.02435	3.2
138.03265	0.9
139.03979	0.8
141.01715	1.1
144.21667	0.6
145.02948	2.3
146.03722	3.1
147.04497	2.1
149.02438	26.1
149.06078	3.2
150.03226	100.0
150.45517	0.8
151.00439	1.3
151.04019	31.4
153.02037	0.8
153.05565	0.8
161.02458	3.4
161.06091	2.0
162.03200	2.4
163.04008	1.2
164.04794	7.8
165.05568	90.7
166.05907	3.7
173.04578	1.7
175.04022	1.9
177.01884	0.8
177.05602	2.7
179.03494	1.5
179.07135	6.8
180.04269	7.4
181.05000	1.6
189.05513	1.1
190.06345	2.0
191.03662	0.8
191.05547	2.6
191.07184	1.7
192.04301	1.1
193.05014	1.1
194.05876	1.3
195.06621	43.6
196.06995	2.1
205.08661	1.8
206.05859	1.6
207.06569	2.8
208.07362	3.4
222.08940	2.2
225.07648	1.4
255.02933	0.7
269.04510	1.4
285.03958	2.9
295.09686	0.8
323.09161	0.9
329.10217	1.6
341.10062	1.5
343.11655	0.8
344.12366	2.7
356.12338	0.8
357.13190	1.4
358.13757	1.3
359.11325	0.6
359.15048	6.5
371.14923	4.0
373.12799	2.6
387.14395	0.8
389.15967	10.0
403.13605	0.7
412.25830	0.7
420.31418	0.7
421.15021	1.7
537.21436	7.5
552.19946	0.9
567.22198	12.2
568.22272	1.7
585.23523	4.0
597.23096	1.4
613.22729	2.0
614.23175	2.4
615.24371	4.8
621.23151	0.9
669.39832	1.7
669.99860	0.7
715.27539	8.9
716.27295	1.1
745.28271	4.3
746.28406	1.4
763.29919	3.7
775.29742	0.8
793.30127	2.0
811.31122	2.9
811.43890	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	811.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92500	0.4
59.01384	2.1
61.98824	0.8
63.38812	0.4
69.20596	1.8
71.01389	0.7
76.04020	0.4
81.61544	0.4
85.02982	0.4
88.98817	0.9
89.02424	0.6
93.03452	3.8
95.01351	0.5
96.96034	0.7
97.85177	0.4
101.02464	0.8
103.77617	0.4
108.02172	0.6
109.02975	1.0
121.02958	4.7
122.03755	15.5
123.04529	1.3
133.02966	2.6
134.03732	1.2
135.04514	1.3
136.01674	3.8
137.02490	2.8
145.03000	1.1
146.03725	1.2
147.04524	0.6
149.02451	17.7
149.06096	1.1
150.03230	100.0
151.04042	8.0
160.01695	1.0
161.02461	0.9
161.06119	0.5
162.03221	0.8
163.04015	0.6
164.04802	4.5
165.01944	5.6
165.05571	89.2
166.05890	3.2
173.04591	0.5
175.03943	1.8
176.04839	0.5
177.01999	0.4
177.05574	1.5
179.03474	1.6
179.07129	2.8
180.04279	10.2
181.04935	0.5
188.04868	0.7
189.05573	1.0
190.06331	2.0
191.05565	1.0
191.07117	1.3
192.04219	0.6
192.12161	0.5
193.05011	0.8
194.05812	1.5
195.06628	64.9
196.06947	2.4
205.08727	2.1
207.06596	1.1
208.07356	2.9
209.07956	0.6
210.05304	0.9
211.03960	0.4
222.08934	1.5
223.05765	0.4
223.09708	0.6
225.07655	3.7
242.09441	0.9
256.40210	0.4
257.12015	0.6
269.04810	0.6
269.07819	0.5
270.04871	0.4
270.08868	0.7
285.03983	1.2
285.11267	1.7
299.09253	1.1
301.10849	0.7
311.09314	0.7
313.07010	0.5
313.10583	0.6
314.07910	1.5
323.09036	0.6
324.09924	0.6
325.10406	1.0
326.07849	0.6
326.11398	0.6
327.08694	0.6
328.09106	0.9
329.10312	3.4
339.12491	0.5
340.09021	1.0
341.10303	4.2
342.10980	0.5
343.11600	1.2
344.12637	5.6
345.13141	0.6
356.12698	1.9
357.13272	1.3
358.13879	1.4
359.14966	12.9
360.15216	0.5
369.13483	1.1
370.13867	1.1
371.14877	8.7
372.15515	0.6
373.12766	2.7
375.14468	0.7
389.16058	7.4
390.16507	0.6
419.16989	0.6
421.14731	1.4
521.96136	0.4
537.21552	4.0
567.22308	9.6
568.22552	1.1
585.23413	3.3
597.23608	1.2
613.22760	1.1
614.24304	0.8
615.24365	5.4
669.24945	0.6
715.27423	1.2
745.28857	0.8
763.29834	2.6
764.30054	0.6
793.29688	0.7
811.31494	2.9
812.32141	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.3
62.31243	1.2
63.02376	1.4
81.28210	1.1
98.21884	3.4
103.00371	12.8
106.68518	1.2
107.01400	2.3
110.17433	1.2
115.38938	1.1
118.14285	1.2
133.02957	3.8
149.02345	2.0
151.00368	4.1
160.40758	1.0
175.04012	2.1
199.04018	3.0
227.03372	1.6
242.66167	1.3
256.03683	3.1
284.00116	2.4
284.03275	50.1
285.04019	100.0
286.04337	6.4
470.43686	1.5
569.78790	1.4
606.43292	1.3
707.30664	94.7
708.31268	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	812.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.6
63.96248	0.6
64.97021	2.3
69.03456	0.6
69.08868	1.9
71.01369	0.3
72.00907	4.0
73.56805	0.2
79.95729	10.7
79.96205	0.5
80.96516	6.3
82.40982	0.2
83.53408	0.3
89.02451	0.4
91.05559	0.3
95.15858	0.3
95.97610	26.2
96.96039	0.4
97.02940	2.2
98.03297	0.5
101.02448	0.4
107.24238	0.2
118.06631	13.8
123.04493	0.5
135.04584	0.3
147.04523	12.4
148.97768	0.3
161.02443	0.4
162.05586	0.4
164.07161	34.4
165.07491	0.3
167.07106	0.7
177.01912	0.5
182.02913	0.3
191.05627	1.0
198.02292	0.7
226.01735	1.9
243.08667	0.4
244.02832	100.0
245.03189	2.2
256.20084	0.3
345.04691	0.3
381.41220	0.3
386.59192	0.3
443.19388	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.8
60.99297	0.2
67.01895	0.5
68.91708	0.2
68.99810	0.2
69.03449	0.5
69.42127	0.5
69.42531	0.4
71.01369	0.9
73.02956	0.3
81.03461	0.3
83.05015	0.3
85.02946	6.2
87.00874	1.6
89.02426	0.3
93.03454	3.0
94.12805	0.2
94.72050	0.2
95.01353	0.2
95.05031	0.2
97.02939	0.2
99.04539	0.9
101.02440	0.6
103.80338	0.1
109.02943	0.4
111.04535	1.0
113.02441	0.2
119.03465	0.2
125.02468	0.2
127.04029	2.0
133.02966	1.2
135.04552	1.0
155.03581	0.2
161.01233	0.3
161.02455	3.1
171.03015	0.6
173.04562	1.3
179.03496	1.2
188.28960	0.2
191.05612	100.0
192.05978	2.3
193.06302	0.2
215.05649	0.2
232.68469	0.2
235.10284	0.2
241.61125	0.2
269.13159	0.2
310.68954	0.2
326.19806	0.2
337.09235	0.5
351.07104	0.4
353.08762	26.4
354.09100	1.7
363.16611	0.9
373.11145	0.4
387.16592	0.2
459.14993	1.3
795.30615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08717	3.1
59.01384	6.3
61.98825	9.0
66.91888	3.2
70.42602	6.6
71.01408	6.9
74.44844	2.9
82.95434	3.4
85.02982	5.9
89.02489	3.3
101.02470	4.9
132.45198	3.5
135.04613	3.2
144.31990	3.1
158.68398	3.4
161.02364	3.4
167.08647	3.3
191.05638	6.5
224.43294	3.3
777.40027	6.2
789.85138	4.1
806.81482	3.7
813.38385	100.0
814.38525	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	815.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.6
58.00568	0.6
59.01379	15.9
60.29454	0.6
66.88882	0.5
67.01900	2.9
69.03449	2.2
69.17883	3.1
71.01011	1.2
71.01382	16.8
72.99300	0.6
73.02946	6.6
81.03431	1.3
83.01385	3.1
83.05040	1.2
85.02962	7.7
86.00101	0.7
87.00876	1.7
89.02457	4.7
93.03460	24.3
95.01409	0.7
96.12156	0.5
96.96004	1.4
97.02948	0.8
99.00867	2.4
101.02451	13.4
106.25408	0.5
109.02942	1.1
111.00857	1.5
111.04507	6.3
113.02473	4.4
115.04012	1.0
117.73739	0.5
129.01976	0.6
131.03473	1.9
133.02959	1.8
135.04536	1.5
137.02449	4.8
143.03462	1.2
155.03511	6.3
159.02940	0.8
161.02464	2.1
161.04529	2.5
173.04549	61.5
174.04892	1.7
179.03546	0.8
191.05641	2.3
197.04527	0.9
233.06625	1.1
258.75543	0.6
303.18198	4.4
335.07617	1.2
347.17126	2.7
447.09213	1.0
448.10376	0.6
479.21329	33.7
480.21805	2.0
493.55026	0.6
499.86661	0.7
653.26587	100.0
654.27142	10.7
815.28955	1.9
815.43506	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.1
58.32934	0.6
59.01379	12.5
67.01882	5.8
69.03440	1.7
69.39145	2.9
71.01382	13.0
73.02953	7.2
73.83042	0.6
81.03455	1.4
83.01386	2.1
83.05019	1.1
85.02946	6.4
86.00085	1.1
87.00882	1.3
89.02461	3.3
93.03458	41.1
95.87483	0.7
96.84230	0.6
98.21754	0.7
99.00877	2.9
101.02438	11.3
108.02184	0.8
109.02922	1.3
111.00864	2.1
111.04522	8.8
113.02472	4.6
127.03975	1.1
133.03046	1.0
135.04486	1.2
137.02446	6.7
143.03506	0.8
155.03506	7.2
161.02483	1.0
161.04526	2.0
163.51674	0.6
168.00880	0.7
173.04552	81.0
174.04935	3.3
191.05643	1.5
195.48677	0.6
195.85197	0.7
207.17027	0.7
269.71317	0.6
303.18085	2.9
333.22699	0.6
347.16925	2.2
367.63821	0.7
479.21344	29.9
480.21625	2.7
544.50195	0.7
653.26593	100.0
654.26886	13.1
803.31586	0.9
815.29626	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	815.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.3
59.01376	17.4
67.01891	2.2
69.03466	1.9
71.01383	20.6
71.46323	1.1
72.47928	0.9
72.99305	1.6
73.02943	11.0
75.00863	1.6
79.91604	1.0
81.03458	2.6
83.01386	4.7
83.05039	4.1
85.02949	13.7
86.00115	1.3
87.00880	4.6
89.02455	6.6
93.03465	19.7
94.03783	1.1
95.01385	1.6
96.95987	4.8
97.02965	1.5
99.00886	5.0
101.02441	19.7
108.02185	2.0
109.02947	3.0
111.00918	1.7
111.04519	17.5
112.04842	1.2
113.02438	6.3
115.04040	1.4
117.03487	1.2
125.02504	2.2
127.04026	2.8
129.01956	1.4
132.02217	1.2
133.02940	12.5
134.03807	4.4
135.04530	57.7
136.04851	2.3
137.02449	13.2
151.00354	1.1
152.01167	2.8
155.03503	25.7
159.03206	1.2
159.04520	1.3
161.02448	39.6
161.04579	3.6
162.02948	1.5
165.01901	1.2
165.05591	1.4
167.03479	4.1
169.44394	0.9
173.04556	38.5
175.04039	1.2
177.01938	1.8
179.03502	29.0
180.04129	1.3
191.05614	28.1
193.05156	1.5
203.03502	2.6
255.06595	1.1
268.03885	2.3
269.04129	1.2
274.91901	1.0
299.05618	1.7
301.07260	3.1
303.18140	5.9
317.06894	1.2
335.07736	14.9
347.17090	3.5
353.08798	1.9
431.09668	1.8
461.08817	2.6
479.21378	23.8
480.21616	1.9
623.13953	3.5
635.25641	9.2
653.15369	4.1
653.26697	6.0
815.29956	100.0
816.30731	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	815.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.4
59.01377	12.8
60.12665	0.6
61.98826	1.4
64.66653	0.5
65.03953	0.6
67.01887	7.3
68.99785	0.9
69.03455	2.3
70.14786	0.7
70.15121	1.0
71.01385	14.0
72.99310	0.8
73.02941	9.0
75.00889	0.8
81.03443	1.2
83.01394	2.5
83.05048	1.0
85.02953	6.8
86.00094	0.6
87.00865	1.9
89.02453	5.1
93.03458	40.2
94.03798	0.8
95.01417	1.2
96.95985	0.6
97.02950	1.3
98.21976	0.6
99.00899	2.3
101.02448	13.7
108.02180	0.7
109.02957	1.3
111.00856	2.6
111.04507	6.4
113.02449	5.0
116.57981	0.6
116.92858	0.9
125.02501	1.0
125.92377	0.5
127.04036	1.5
129.01949	1.0
131.03569	0.8
133.02975	1.7
135.04561	2.9
137.02441	7.7
143.03493	1.3
150.03235	0.7
154.80576	0.5
155.03496	6.5
159.02992	1.0
161.02469	4.2
161.04494	3.4
165.05563	0.8
173.04549	83.3
174.04889	1.8
175.03889	0.6
179.03510	1.6
181.04979	0.5
185.11836	0.6
191.05623	5.3
192.06007	1.3
269.04471	0.9
285.04001	1.0
303.18103	4.5
335.07635	1.9
347.17017	3.0
402.75125	0.6
435.22379	0.8
447.09421	0.7
479.21335	32.8
480.21835	2.3
653.26581	100.0
654.26831	9.0
761.20508	0.6
815.28937	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	815.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.5
63.96229	2.0
66.43170	0.6
69.03465	0.9
69.17512	2.9
71.01383	10.0
73.02952	2.8
78.98594	8.3
79.95737	16.3
80.96513	98.1
81.03434	0.7
85.02959	2.5
87.00876	2.9
94.98085	20.9
96.96030	0.9
97.02967	2.0
101.02431	3.0
106.98098	4.1
111.35366	0.6
122.97606	3.8
125.02440	2.8
127.04030	0.7
127.93182	0.8
128.39003	0.6
134.97585	7.1
136.99126	1.4
148.99130	7.5
152.98627	6.4
154.95508	1.5
164.98613	12.8
171.97069	1.2
174.99336	0.7
181.92921	2.9
198.94392	3.4
206.99626	2.6
215.95993	4.2
225.00732	19.2
236.54163	0.6
251.09955	0.7
255.23311	2.5
277.21906	1.0
350.63748	0.6
373.94730	0.8
427.55551	0.7
537.27454	1.2
559.25659	2.3
559.56415	0.8
815.49835	100.0
816.49872	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	817.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.1
61.36884	0.2
61.98818	0.3
63.02420	0.8
68.99812	0.4
69.29206	0.6
69.29602	0.8
83.01385	0.3
85.02966	0.3
89.02451	0.4
89.29268	0.2
90.42844	0.2
90.72292	0.2
95.01402	1.9
97.02972	0.4
101.02461	0.6
105.03465	0.3
107.01403	1.2
109.02962	0.7
121.02959	0.7
133.02940	4.2
134.03717	0.3
135.04518	0.5
145.02983	0.2
147.04517	0.3
149.02438	1.5
150.06892	0.3
151.00380	3.4
155.03505	3.8
161.02475	0.3
175.03995	1.6
185.06091	0.4
189.05551	0.3
196.05249	0.2
199.03993	2.4
201.01984	0.4
211.03995	0.4
213.05476	0.4
215.03624	0.4
217.05048	1.4
227.03581	0.5
229.05089	0.4
239.03447	0.3
241.05011	0.7
243.02959	0.5
255.03049	0.6
256.03784	1.1
257.04721	0.4
269.04526	0.6
283.02512	0.6
284.03284	22.1
285.04053	100.0
286.04410	5.4
297.04041	0.5
299.05609	6.2
300.06061	0.3
327.05026	1.1
327.72870	0.2
423.07141	0.4
429.08185	0.8
517.15790	0.4
553.09674	2.1
585.12543	5.6
585.21948	0.3
586.13184	0.4
623.13885	1.2
655.16333	0.4
817.21997	24.5
817.46271	0.9
818.22235	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	817.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.2
60.99304	0.5
61.34702	0.3
61.98823	1.2
63.02407	1.1
65.00342	0.9
65.90133	0.3
67.01882	0.5
68.99818	1.0
69.03452	0.9
69.04862	0.3
71.01383	2.5
72.02699	0.3
73.02972	0.5
81.03473	0.3
83.01390	0.8
85.02964	0.9
87.00869	0.4
88.98808	1.1
89.02450	2.1
93.03463	0.9
95.01392	2.9
96.96033	0.9
97.02921	0.5
101.02443	3.1
107.01415	1.8
109.02949	0.9
113.02467	0.7
116.92854	0.5
121.02978	1.1
123.04515	0.6
125.02487	0.4
133.02945	4.3
134.03766	0.8
135.04526	3.2
136.05229	0.3
137.60115	0.3
140.32924	0.3
149.02411	1.6
150.06883	0.8
151.00375	5.6
151.04021	0.4
155.03502	5.9
159.07497	0.4
161.02454	2.1
163.07651	0.6
173.04611	0.5
175.04007	1.6
177.01878	0.5
179.03493	0.9
179.10693	0.6
191.05571	1.6
194.95673	0.3
199.03958	2.1
200.04602	0.5
201.01950	0.6
213.05521	0.6
215.03419	0.7
217.05090	0.9
227.03589	0.5
229.05104	0.4
241.05067	0.6
243.03030	0.6
255.02991	0.8
256.03787	1.0
268.03903	0.4
269.04495	1.2
283.02408	0.7
284.03259	22.2
285.04034	100.0
286.04382	4.6
287.05579	1.6
297.03854	0.6
299.05594	8.8
300.06000	0.7
327.05206	1.6
329.14117	0.5
391.04358	0.4
393.06100	1.0
429.08334	1.2
447.09744	0.7
457.29477	1.8
553.09186	3.5
585.12610	3.1
619.35645	0.4
623.13983	1.4
637.39886	0.5
655.18176	0.4
655.40387	0.9
671.86615	0.4
757.41650	0.6
779.40564	0.4
781.28760	0.5
781.41730	0.5
817.21973	31.7
817.39893	1.2
817.45184	1.1
818.21899	4.7
818.34369	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.384
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33519	0.3
59.01378	100.0
61.98834	4.3
69.03474	0.4
69.36266	1.8
71.01373	2.3
73.02959	0.6
74.86365	0.3
74.89031	0.4
80.71662	0.5
83.01386	0.4
85.02963	0.4
87.00860	0.6
89.02441	1.7
92.30020	0.3
95.01436	0.4
95.37144	0.3
96.99320	1.7
101.02444	1.7
113.02438	0.6
119.03546	0.5
125.02430	0.8
141.01700	55.9
142.02008	0.4
143.03490	0.4
153.01648	0.4
169.47177	0.4
188.08481	0.4
223.38715	0.4
224.78719	0.4
235.08315	0.9
243.04755	0.7
277.21722	5.5
359.22049	4.3
397.13525	9.9
398.13840	0.5
415.14661	2.2
419.11707	2.3
437.12717	3.9
675.36133	0.9
697.33685	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	817.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.0
59.01361	2.7
65.32753	0.6
69.54857	1.5
70.94814	0.5
71.01359	2.6
75.87686	0.5
85.02944	2.8
87.00865	1.4
89.02427	0.7
95.22106	0.6
101.02422	1.1
101.39893	0.7
113.02442	0.6
118.31006	0.6
135.04503	0.6
135.08136	1.1
148.05298	0.6
149.06107	4.5
150.06868	47.1
151.07515	1.0
161.02158	0.5
161.09702	0.6
162.06851	6.4
163.07649	21.0
164.08415	6.7
176.08446	3.2
177.09254	4.7
178.09993	4.1
179.10764	13.6
265.25439	1.6
267.23245	3.7
311.25928	2.2
313.23807	6.9
429.33658	1.3
430.34894	0.8
432.32376	11.3
446.33972	8.2
447.34760	21.2
448.34979	1.9
456.32184	0.8
473.32529	2.1
474.33411	5.4
475.33926	3.4
477.35797	0.8
489.35727	0.8
491.33719	1.3
492.34589	13.7
493.35327	36.1
494.35831	3.3
637.39728	2.7
655.40479	10.3
656.41528	0.8
775.77014	0.7
817.45886	100.0
818.46338	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	818.495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00702	1.3
61.98822	4.3
66.19588	1.5
78.95920	2.2
82.06635	2.5
87.05630	4.4
112.07697	1.8
113.96606	1.4
121.04106	2.3
126.11040	1.6
129.10339	19.2
130.08784	2.1
139.08791	4.4
140.07205	3.3
146.06122	2.6
153.10342	1.8
155.08299	4.7
155.11900	1.6
164.09523	5.1
165.10344	4.6
181.68181	1.4
182.12984	2.8
183.11409	2.8
195.15288	1.6
197.16672	3.0
200.14055	5.3
207.15005	16.6
224.17642	7.3
225.16072	5.0
241.13370	4.5
242.11803	2.7
242.18787	14.9
259.14490	6.6
266.71704	1.5
295.21368	10.1
302.22073	1.6
310.24792	1.5
312.17105	4.0
313.22455	6.1
337.26202	7.8
347.20850	1.7
355.27106	4.8
371.24432	3.0
443.26901	1.9
444.57941	1.8
539.38965	2.8
573.37567	2.0
732.20782	1.8
778.24231	1.7
782.51819	100.0
783.52185	12.0
818.49298	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	819.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.7
63.02419	0.4
65.00322	8.3
67.01885	1.4
68.99814	7.9
69.03463	0.6
71.01385	2.5
83.01402	1.0
89.02452	1.6
91.01878	1.2
93.03467	1.5
98.21795	0.9
101.02447	8.8
103.09011	0.4
107.01398	2.1
107.05032	0.9
109.02951	3.4
113.02440	0.7
117.03447	2.0
119.03429	0.5
119.05041	0.7
121.02969	1.6
125.02450	1.6
125.46516	0.4
127.04008	1.0
129.09410	0.5
131.05011	0.8
133.02953	2.7
134.03746	3.6
135.04524	85.6
136.04868	1.3
137.02492	1.2
139.99988	0.4
141.03488	1.7
143.05013	0.6
145.02965	2.3
147.04555	0.7
148.01672	1.2
149.02457	0.8
149.99608	0.6
151.00391	5.2
151.04004	0.7
153.05588	0.6
157.02896	0.4
158.03709	0.9
159.00893	0.5
159.04506	6.6
161.02452	6.2
163.00383	8.0
163.04007	4.8
169.02977	0.9
169.06596	0.7
171.04549	1.0
173.06090	0.9
175.00345	1.2
175.04030	2.5
176.01129	3.4
177.01926	4.6
177.05566	1.6
183.04529	0.6
185.02451	4.3
185.06110	0.5
187.04002	2.8
189.01924	2.5
189.05615	0.4
191.05592	0.4
193.05052	1.7
195.04623	0.5
195.06651	1.1
197.06071	1.2
199.04063	1.6
200.01306	0.5
201.01971	0.8
201.05556	4.4
203.03529	5.6
203.07030	0.6
211.04024	1.0
213.01929	12.7
213.05545	1.5
215.07178	0.7
216.77702	0.4
217.05066	1.8
219.03015	2.4
219.06642	1.3
221.04504	1.9
227.03363	1.1
229.01384	1.9
229.05159	0.4
231.02998	3.4
237.05600	0.9
239.07146	1.2
241.05066	1.6
243.72615	0.4
245.04529	10.8
253.01668	0.6
253.04892	0.4
255.03035	0.5
255.06604	0.9
257.00897	5.3
257.04535	1.7
257.08182	0.7
257.12866	0.5
259.06042	0.8
261.03870	0.4
263.05518	0.7
265.05035	2.9
268.03751	2.0
269.04547	3.4
271.06021	0.9
273.07468	0.4
279.03061	0.6
279.06302	0.6
281.04538	1.9
283.06094	2.9
287.05640	0.6
289.03531	8.2
293.04620	0.9
294.05249	0.6
295.06140	1.4
297.03986	4.1
297.07407	1.0
299.05804	2.3
299.35135	0.5
301.11713	0.6
303.06683	1.2
305.04370	0.6
309.04102	3.8
312.06430	0.5
313.03357	0.5
321.07712	0.6
323.05643	2.0
327.05179	1.0
341.06509	4.0
349.07101	1.1
359.07837	0.6
363.08713	2.6
375.08911	0.9
393.05920	1.3
393.10242	1.0
401.10352	1.3
407.07748	3.2
419.11304	3.1
425.08731	14.5
426.09100	0.8
445.09555	2.2
459.09650	2.0
463.10532	1.7
477.11877	6.0
495.13632	1.4
521.12970	5.6
522.13525	0.9
555.15002	0.7
581.16376	0.9
587.13934	1.7
625.15631	3.7
639.17529	1.0
657.18207	100.0
658.18597	8.2
689.61554	0.5
819.22577	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	819.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.6
61.00057	0.4
61.98824	1.8
63.02400	1.6
65.00324	16.2
68.99812	0.7
69.03459	0.7
71.01377	4.2
73.02960	0.5
78.64760	0.3
80.91678	2.4
81.03460	0.4
83.01384	6.3
85.02952	1.3
89.02442	3.2
89.03898	0.4
93.03448	0.7
95.01384	1.6
97.02969	1.1
101.02445	2.6
107.01390	22.6
107.04974	0.4
108.99268	0.4
109.02954	2.2
113.02486	1.3
119.03529	1.2
121.02933	0.5
123.04557	0.6
125.02454	4.4
131.01399	1.3
133.02954	1.1
134.03754	2.7
135.04524	64.4
136.01694	0.6
136.04843	0.9
137.02440	0.6
149.02397	0.5
151.00366	100.0
152.00723	1.6
155.03503	3.0
158.03751	0.6
159.04497	0.4
161.02502	2.0
163.07503	0.5
164.01138	2.2
165.01958	1.1
166.69136	0.3
169.01416	0.7
174.03233	1.2
175.00343	4.8
175.03906	0.5
175.70473	0.3
177.01935	1.2
185.02405	0.5
193.01393	1.1
199.04042	1.0
200.04778	0.7
205.01402	0.4
220.45506	0.4
240.04257	0.5
242.05962	0.9
257.08228	0.5
269.04562	0.9
284.03470	0.8
285.04013	6.9
286.04620	1.9
287.05603	61.0
288.05960	2.2
301.07150	10.6
311.05701	0.7
337.09015	0.5
378.57126	0.4
435.49582	0.4
438.88583	0.4
447.09497	0.6
517.15594	7.3
587.13599	0.6
625.15765	0.9
639.40912	1.1
683.18323	1.8
801.22217	0.6
819.23578	19.0
819.47046	6.2
820.24207	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	819.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.9
64.89204	0.8
65.00323	10.5
67.01880	1.0
68.99818	7.4
69.03451	0.7
69.33843	2.4
69.34222	1.3
71.01363	3.8
71.02656	0.6
77.07097	0.7
79.47013	0.7
83.01382	1.6
86.94084	0.6
87.76102	0.8
89.02444	2.2
93.03448	4.2
99.00912	1.1
101.02448	10.9
104.02665	1.2
107.01408	2.3
107.05032	1.2
109.02962	4.7
113.03976	0.8
117.03414	1.3
119.05045	1.5
121.02950	2.6
125.02459	0.9
130.04201	0.9
133.02969	4.8
134.03749	3.5
135.04526	100.0
136.04865	2.1
137.02470	3.9
139.04030	1.1
141.03484	1.5
145.02986	3.5
147.04558	1.3
149.02425	0.8
151.00363	7.9
151.04048	1.7
153.05560	1.6
157.02965	1.3
159.04510	7.2
161.02434	14.9
163.00386	7.9
163.04039	6.1
169.02959	1.7
169.06599	0.9
171.04468	1.1
173.06026	1.5
175.03998	2.5
175.20660	0.7
176.01117	3.6
177.01895	5.7
177.05502	2.2
179.03500	2.5
185.02487	5.4
185.06075	0.7
187.04001	3.4
189.01984	3.1
189.05566	0.8
190.02655	1.0
191.05539	1.1
193.05112	1.9
195.06589	1.6
197.06070	1.3
199.04068	1.6
201.01976	1.1
201.05594	4.3
203.03493	6.6
211.04056	1.6
213.01926	13.3
213.05359	1.6
214.02557	0.8
217.05083	1.3
219.02980	2.2
219.06725	2.1
221.04539	3.4
227.03563	1.1
229.01402	3.1
231.02989	3.0
237.05591	1.1
239.03526	1.0
239.07158	1.3
245.04568	12.3
257.00845	6.5
257.04745	1.6
257.08105	0.9
263.05402	1.1
265.05109	3.7
271.06351	0.9
281.04532	0.8
283.02332	0.8
283.06189	2.7
285.04099	0.9
289.03510	6.9
299.05566	2.3
309.04010	3.4
313.03619	1.1
313.07214	0.9
321.07410	1.1
323.07959	1.5
327.04938	1.3
341.06607	3.3
344.81357	0.8
393.05576	0.9
393.09918	1.7
419.10983	2.3
425.08762	13.1
426.09213	1.2
445.09467	1.9
461.10999	6.0
463.10770	2.3
477.11780	4.9
489.10443	1.0
495.13086	1.6
503.51819	0.9
521.13068	6.4
587.14050	2.0
625.16223	2.1
655.27161	1.1
656.26459	0.9
657.18237	97.1
658.18341	9.0
819.23633	2.8
825.72437	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.4
59.01381	2.5
61.98805	0.4
65.00321	2.5
67.01904	1.4
68.99805	0.5
69.03461	0.4
71.01392	1.4
80.02676	0.4
81.03436	0.3
82.56328	0.2
83.01385	2.2
85.02945	0.5
88.98820	0.3
89.02451	1.1
95.01389	0.6
96.95967	0.3
97.02938	0.5
101.02439	1.5
107.01401	3.5
108.02182	2.8
111.04485	0.3
112.84474	0.3
113.02449	1.0
117.03471	0.6
118.71281	0.2
119.03555	0.4
121.02920	0.4
123.00866	0.5
123.04482	0.7
124.01638	0.5
125.02447	4.0
127.04023	1.3
133.01434	0.4
133.02940	1.1
134.03751	5.6
135.04521	2.8
136.01663	4.6
149.02454	0.6
149.06056	1.1
150.06805	0.8
151.00374	9.8
152.01108	0.5
155.03540	0.4
158.03714	1.2
160.01578	0.4
161.02469	2.2
161.04556	0.6
161.05997	0.3
164.01147	12.8
164.59964	0.3
165.01807	0.6
167.48221	0.3
172.05331	0.4
173.02472	0.3
173.04688	0.3
173.06085	0.6
173.68102	0.3
174.03229	3.5
175.00348	0.9
175.03943	0.4
176.04762	0.4
177.01999	1.3
179.03470	0.5
179.05620	0.4
179.10727	0.4
183.04497	0.3
185.02435	0.7
187.03886	0.7
190.02914	0.3
191.05617	0.9
191.07137	0.3
193.05060	0.7
196.00140	2.2
197.06134	0.3
198.03242	0.6
199.04005	4.2
200.04733	1.7
201.01939	3.7
202.02687	1.0
209.11858	0.4
213.05582	0.5
214.06381	1.2
215.03418	1.8
215.07002	0.7
216.04202	0.6
217.05022	1.1
218.05751	0.3
224.04752	0.4
225.05582	0.4
227.03543	1.4
230.05914	0.3
233.08173	0.5
235.06032	0.5
235.12619	0.3
239.07077	0.5
240.04283	0.8
241.04904	1.8
242.05800	6.1
243.06284	0.6
257.08160	3.0
258.05338	2.0
258.07916	0.4
267.02798	0.3
268.03760	5.1
269.04465	1.9
281.04486	0.5
283.06000	1.5
285.03622	1.6
285.06543	0.7
286.04803	8.5
287.05219	0.3
293.04532	0.5
295.02451	0.8
295.06104	1.0
297.04013	5.1
298.04694	0.4
301.07153	100.0
302.07507	4.3
303.06720	0.6
304.07108	0.3
310.04623	0.6
313.30301	0.3
317.04398	0.4
325.07117	3.3
343.08176	0.7
347.05515	0.3
355.10300	2.8
361.07214	0.5
363.08673	1.1
373.11380	0.5
375.08853	0.3
401.09958	0.3
407.07748	1.3
459.09381	1.5
463.12527	2.7
463.22043	0.3
486.86978	0.3
494.35837	0.4
495.36792	1.2
517.15588	0.8
625.15717	1.1
639.17285	0.6
639.35028	0.4
657.18225	10.5
657.41870	0.6
658.18848	0.9
819.23352	6.5
819.42377	1.0
820.23956	0.6
835.81836	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.8
65.00324	9.4
67.01882	0.9
68.99822	6.2
71.01363	2.6
73.74503	0.7
83.01414	0.7
85.02949	0.9
89.02457	2.5
91.33050	0.7
93.03456	4.0
98.22606	1.4
101.02441	6.9
107.01341	1.5
107.05017	0.9
109.02988	3.4
113.02426	1.4
117.03476	1.6
121.02953	1.4
125.02435	1.8
127.04025	1.0
131.05052	1.0
133.02972	3.8
134.03723	4.0
134.87941	0.8
135.04524	74.3
136.04825	1.5
137.02399	2.0
141.01620	0.8
145.02953	1.2
148.01605	0.9
151.00351	9.0
157.03064	1.0
159.04523	6.3
161.02434	8.9
163.00365	4.1
163.03993	4.5
167.10805	1.4
169.02962	1.2
171.04517	0.9
173.04584	0.8
173.06104	1.2
175.00308	1.4
175.03969	1.7
176.01103	2.0
177.01981	4.0
177.05551	1.7
179.03491	1.9
185.02374	3.7
187.03993	2.2
188.01144	0.9
189.01930	2.4
189.05424	0.9
191.05652	1.1
193.05110	2.0
199.03944	1.8
201.01915	0.8
201.05562	2.8
203.03529	4.4
211.04089	0.8
213.01926	8.7
215.07127	0.9
219.02988	1.7
219.06581	1.1
221.04514	1.7
227.03395	1.1
229.01340	2.3
231.02963	1.8
231.06702	0.8
239.07127	1.0
241.05066	1.1
245.04509	7.5
251.07523	0.7
253.04973	0.7
255.06639	0.9
257.00839	2.4
257.08130	0.9
265.05069	1.8
271.80081	0.7
278.01627	0.8
283.05994	2.3
285.04053	0.8
289.03546	5.5
297.04126	1.0
299.05652	2.0
309.04037	1.8
323.08127	1.0
341.06647	2.8
393.10089	1.3
419.10986	1.2
420.88327	0.8
425.08804	12.8
426.09308	0.9
445.09061	1.3
461.11075	4.2
463.10556	1.4
477.11826	6.1
495.13776	1.4
521.12830	7.0
587.14191	1.7
625.15155	2.0
657.18225	100.0
658.18555	9.8
691.02222	0.8
819.23206	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	819.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
59.01382	17.5
61.98820	1.5
65.00326	2.9
67.01888	0.9
68.99812	1.5
69.03445	1.7
71.01388	8.4
71.17931	0.5
75.00858	1.6
80.72971	0.5
83.01385	2.0
85.02956	3.8
87.00876	1.0
87.86971	0.6
88.98811	1.3
89.02445	6.1
90.71055	0.6
93.03476	3.1
94.03736	0.6
95.01373	1.1
95.05023	1.1
96.96031	0.9
98.21857	1.4
99.00883	1.2
101.02441	6.4
107.01347	1.1
107.05015	0.7
109.02950	1.3
111.00857	2.4
113.02437	2.3
116.92927	0.7
117.03462	0.7
119.03497	1.7
119.05048	3.8
121.02954	1.8
123.00853	0.5
123.04511	1.4
125.02441	1.3
127.04002	1.0
133.02971	5.2
134.03754	7.5
135.00900	0.8
135.04535	20.0
136.01604	0.7
136.05264	1.3
137.02429	4.3
137.06067	2.3
139.00327	0.8
143.04927	0.7
145.02945	1.3
147.04501	1.1
149.04474	0.9
149.06087	2.6
149.99625	0.7
150.03217	1.3
150.06778	1.0
151.00372	3.3
151.03949	0.9
153.05580	1.1
155.03456	0.5
158.03677	1.3
159.04509	1.8
161.02458	12.1
161.04472	0.8
163.00371	4.0
163.04005	8.2
164.01178	1.1
165.09189	0.8
171.04489	0.7
171.08083	1.0
173.02402	0.9
173.04622	1.1
173.06049	2.4
174.03252	3.0
175.00418	0.7
175.03975	1.8
176.01117	1.7
176.04585	0.8
177.01897	2.5
177.05579	0.8
179.03467	2.0
185.02412	1.2
187.04033	3.2
187.07607	0.8
188.04771	0.7
190.02654	0.9
191.05621	3.6
191.07166	0.9
193.05070	1.6
198.03271	1.2
199.03978	2.3
200.04779	1.7
201.01904	3.3
201.05606	1.2
202.02734	5.8
202.06369	0.6
203.03543	1.1
211.07771	0.7
213.01883	0.8
213.05473	0.8
214.06384	0.6
215.03470	2.8
215.07095	1.6
216.04286	1.0
217.05077	4.1
225.05629	1.2
227.03546	1.7
229.01364	0.8
229.05032	0.8
231.03006	3.5
237.05408	0.9
239.07114	1.1
241.05019	1.3
242.05859	1.2
243.02852	0.8
244.03651	1.4
253.05052	1.7
254.05888	1.7
255.06456	1.1
257.08273	1.0
257.12921	0.7
265.05014	1.2
267.03073	0.6
267.06607	2.0
269.04520	1.8
280.03510	0.6
281.04483	0.7
283.06192	2.5
284.03076	1.5
285.04086	8.5
286.04593	1.2
295.06024	1.9
296.06839	1.2
297.04221	0.9
298.04767	1.7
299.05542	0.6
301.07178	3.5
301.11899	0.8
313.07178	14.9
314.07617	1.1
325.07092	0.8
327.08707	2.1
341.06516	0.8
363.08316	0.6
366.07382	0.8
377.10318	0.6
381.09863	11.7
389.14148	1.2
401.10037	0.6
425.08875	4.6
433.12918	16.3
441.02554	0.7
449.32550	1.0
451.14063	5.4
463.21643	4.5
477.11868	3.4
491.35721	0.6
495.33557	1.2
587.13806	0.9
613.19226	21.9
614.19238	1.3
657.18243	100.0
658.18463	8.6
801.40088	0.7
819.25464	2.6
819.42822	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	819.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.4
61.98835	1.5
62.49813	0.4
63.02404	0.9
65.00320	0.9
68.99815	0.4
69.03450	0.4
69.48537	1.3
71.01379	2.5
72.93844	0.4
73.02952	0.6
78.28651	0.3
82.93091	0.3
83.01405	0.9
85.02937	1.0
87.00874	0.5
87.73810	0.4
89.02460	1.6
95.01395	0.6
101.02448	1.5
107.01411	2.0
109.02963	1.2
113.02458	1.2
119.03491	0.4
121.02970	0.6
132.28979	0.3
133.02931	5.7
134.03674	0.4
135.03406	0.3
135.04527	1.4
149.02446	1.4
151.00374	4.1
158.67145	0.4
159.04510	0.8
160.05321	1.2
161.02457	1.5
167.91098	0.4
171.04547	0.6
171.19173	0.4
172.05316	3.5
173.05968	0.6
174.03232	0.4
175.03978	2.2
179.03506	0.5
185.06088	1.1
186.06842	0.6
187.04037	1.0
191.05579	0.6
197.06029	0.8
199.04008	3.6
200.04715	1.8
201.01884	0.5
201.05537	0.9
203.03375	0.4
209.69804	0.4
213.05550	1.1
215.03430	0.6
216.04352	0.4
217.05083	1.3
227.03508	4.1
228.04352	1.9
229.04977	0.7
232.03737	0.4
241.05032	1.1
243.02940	0.5
255.03029	0.5
255.13870	0.6
257.04602	0.6
257.15610	0.4
269.04440	0.6
283.13406	11.3
283.16574	0.7
284.03302	7.4
284.13928	0.5
285.04044	100.0
286.04376	4.3
301.14490	3.2
309.14905	1.5
311.12827	3.6
325.14490	0.7
327.12292	3.9
327.16068	1.3
328.12732	0.4
329.13913	3.9
345.13382	1.5
353.13989	2.2
371.14871	3.8
447.09238	5.7
471.84738	0.4
489.10217	1.2
489.17014	0.7
533.20367	1.3
639.41071	1.1
657.41736	0.9
775.22253	2.5
783.43915	0.7
801.23907	1.5
819.25006	37.1
819.47107	2.3
820.25305	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.5
61.98828	2.5
63.02393	1.0
65.00317	1.0
68.99811	0.5
69.65005	1.6
71.01383	8.3
72.65245	0.4
72.99320	0.5
73.02951	1.0
83.01383	1.3
85.02936	2.4
87.00879	0.7
89.02459	4.4
93.03443	0.5
94.80470	0.5
95.01369	1.3
99.00910	0.5
101.02448	5.5
107.01403	2.2
109.02924	1.0
113.02454	2.3
119.03480	1.2
133.02957	7.3
135.04509	1.6
137.02357	0.5
149.02449	1.9
150.06830	0.9
151.00375	5.4
151.03857	0.5
153.01884	0.4
155.03528	0.7
159.04497	0.8
160.05359	1.1
161.02443	2.1
161.04535	0.5
163.07695	0.5
172.05260	3.2
173.06067	0.7
175.04033	2.6
177.01996	0.6
177.09186	0.5
179.03590	0.6
179.10764	0.8
185.06055	1.4
186.06734	0.5
187.04016	1.1
188.04663	0.5
189.05533	0.7
191.05672	1.1
199.03976	3.7
200.04779	2.4
201.05585	0.5
211.03946	0.8
212.04805	0.6
213.05664	1.3
215.03477	0.6
217.05067	1.1
227.03577	4.6
228.04214	1.8
241.05086	1.0
243.03127	0.6
255.03069	0.8
256.03647	0.5
257.04568	0.5
257.15427	0.6
283.13358	11.0
284.03302	8.0
284.13840	0.9
285.04047	100.0
286.04376	5.2
301.07306	0.5
301.14536	2.7
309.14923	1.8
311.12811	3.6
325.14426	1.1
327.04980	0.5
327.12360	3.9
327.16052	1.2
329.13916	3.6
343.15356	0.6
345.13293	1.1
353.14240	2.2
353.69598	0.4
371.14902	4.5
447.09338	6.1
489.10562	1.8
495.36859	0.8
527.18146	0.5
533.20740	1.1
546.83478	0.6
639.40845	3.7
657.41766	1.0
775.22821	1.6
783.43616	0.7
801.24463	2.1
818.46332	1.7
819.25293	33.0
819.47583	13.6
820.25226	3.7
820.48083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.3
61.98832	4.6
63.02398	1.2
65.00338	2.1
71.01391	8.3
73.02950	2.7
83.01394	1.4
85.02965	3.0
89.02459	4.9
95.01393	1.2
101.02442	6.8
107.01392	2.8
109.02962	1.7
113.02464	2.1
119.03449	1.0
121.02921	1.4
125.02433	1.7
132.02193	6.0
133.02963	10.4
134.03706	1.7
135.04541	6.8
137.02440	0.9
145.02977	0.9
146.03766	2.2
148.05370	1.7
149.02454	2.1
150.03200	1.0
150.06859	2.9
151.00404	5.3
151.03996	1.2
155.03549	1.9
160.01660	12.4
161.02446	7.1
161.04567	1.4
162.03307	1.1
163.07590	1.6
171.82355	0.7
172.05359	1.2
174.03207	2.7
175.04021	2.4
176.04851	1.5
177.01917	0.8
179.03554	2.2
179.10814	0.9
182.58633	0.8
182.76436	1.0
185.06085	1.1
187.04012	1.4
191.05627	2.8
199.04019	3.0
200.04782	5.3
201.01906	0.8
202.02693	1.3
211.04077	0.9
212.07268	0.9
212.93463	0.9
213.05591	1.5
217.05118	1.3
228.04250	1.0
241.05106	1.1
243.03004	1.2
255.02951	1.1
257.15546	3.3
269.04752	1.5
284.03168	8.2
285.04053	100.0
286.04416	4.3
297.14813	0.9
299.16568	7.1
309.15091	1.0
317.17566	2.0
325.14432	7.3
327.16046	3.3
343.15466	18.0
348.56042	0.8
353.13971	2.8
371.15048	11.5
372.15436	1.1
447.09329	5.5
469.44360	0.8
495.23065	0.8
495.36813	1.4
533.20520	2.0
629.72803	0.8
639.40979	1.2
656.40820	0.8
657.16760	1.0
657.27667	1.6
657.41260	1.1
783.43958	1.2
801.23804	1.4
818.46112	3.5
819.25214	61.4
819.47327	13.1
820.24890	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.7
58.84208	0.4
59.01376	10.7
61.98831	2.3
63.02400	0.9
65.00343	1.0
68.99823	0.7
69.03452	0.4
71.01386	8.1
73.02940	1.6
75.00877	0.4
75.85901	0.4
77.16143	0.4
77.60838	0.4
83.01369	1.2
84.31944	0.4
85.02949	3.2
87.00871	0.5
89.02444	4.5
90.45877	0.4
93.03468	0.6
95.01376	1.3
95.01939	0.4
98.22609	1.5
99.00889	0.4
101.02450	5.1
107.01393	1.9
109.02975	1.2
113.02441	2.7
119.03491	1.0
121.02926	0.8
125.02424	0.6
133.02957	7.6
134.03441	0.5
135.04543	2.0
146.03656	0.5
149.02435	1.8
150.06860	1.4
151.00375	4.8
152.01097	0.4
155.03531	0.9
159.04480	0.7
160.05296	1.0
161.02441	1.6
161.04514	0.5
161.06033	0.4
163.07643	0.4
164.08308	0.5
171.04636	0.5
172.05281	2.2
173.06020	0.8
175.03957	2.2
177.02019	0.6
179.03476	0.6
185.06035	1.3
187.03979	0.9
189.05566	0.5
191.05615	0.7
197.06107	0.8
198.03215	0.5
199.04041	3.6
200.04805	2.1
201.01923	0.7
201.05486	0.6
209.11813	0.5
213.05565	1.4
215.03543	0.5
217.05099	0.9
223.04024	0.5
225.05548	0.5
227.03459	3.4
228.04242	1.5
241.04947	1.2
255.13904	0.6
256.03622	0.4
257.04584	0.6
269.04514	1.3
283.13412	9.4
284.03302	7.2
284.13806	0.6
285.04031	100.0
286.04382	4.2
301.14401	2.3
309.14957	1.6
311.12848	3.8
323.99670	0.5
325.14407	0.6
327.12305	3.9
327.15985	1.1
329.13971	2.8
345.13226	1.1
345.16977	0.7
353.13962	2.2
369.13071	0.6
371.14932	3.6
447.09235	6.3
448.09433	0.5
481.35580	0.4
489.10330	2.3
489.17218	0.8
492.33582	0.4
494.36087	0.8
533.20428	0.9
584.92993	0.4
639.41278	3.8
657.42267	0.8
775.21765	2.0
801.24310	2.0
818.46307	1.3
819.25153	33.3
819.47504	14.6
820.24969	2.2
827.91406	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.0
60.07280	0.4
67.01888	0.7
69.03455	5.4
71.01010	0.6
71.01379	7.9
72.99310	11.6
73.02937	0.5
77.96283	0.4
85.02956	1.8
87.00864	0.8
89.02442	6.5
89.76396	0.3
93.03436	2.0
95.01374	0.9
95.05023	6.3
97.02940	3.7
101.02446	4.0
107.05028	5.1
109.02970	0.6
109.06582	0.6
111.08108	0.4
113.02440	2.1
119.03505	1.9
119.05022	0.9
121.06591	2.3
123.04503	3.0
125.06114	0.7
131.05049	0.3
133.06567	2.2
135.04495	0.6
137.06100	0.8
139.04005	8.7
139.07683	0.4
143.04958	0.7
147.08160	1.8
149.04597	0.5
149.06007	0.9
149.09735	0.6
151.04002	11.1
157.06610	0.9
159.08118	2.0
161.02440	0.5
163.03999	0.6
167.07097	0.7
169.05029	2.2
173.04567	0.9
173.06017	0.4
175.07600	1.2
177.05505	1.0
177.09210	0.8
191.05608	6.1
193.05014	1.8
195.02982	1.7
203.07117	1.6
211.09766	1.3
213.04019	4.2
221.08179	11.9
239.09227	2.9
265.07269	0.9
265.10672	0.6
281.48502	0.5
337.09268	1.2
373.11472	5.5
374.11826	0.9
375.12122	0.5
401.14456	1.4
445.13455	100.0
446.13715	5.4
452.88351	0.4
462.26645	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31400	0.2
59.01380	8.5
60.99293	0.3
61.98833	2.0
63.02387	1.2
65.00336	0.8
68.99818	0.4
71.01013	0.4
71.01377	3.9
71.45055	0.2
73.02943	0.9
78.60193	0.2
82.46216	0.2
82.82375	0.2
83.01385	0.8
85.02959	1.2
87.00880	0.4
87.04562	0.3
88.98788	0.9
89.02438	3.7
93.03451	0.6
95.01385	0.5
95.05008	0.4
96.95992	0.6
101.02441	2.6
107.01393	1.4
108.02206	0.3
113.02438	1.5
116.92872	0.4
117.03463	3.4
119.03510	1.8
121.02939	0.4
123.04553	0.5
125.02378	0.3
131.03520	0.3
133.02959	2.8
134.03662	0.3
135.04526	2.8
137.02437	0.4
137.06067	0.3
143.03532	0.5
149.02440	1.3
150.03192	0.3
150.06897	0.3
151.00380	2.3
155.03511	0.8
159.04506	1.3
161.02449	5.5
161.04601	0.7
161.09830	0.3
162.02748	0.4
163.11349	0.3
169.06586	0.4
177.40857	0.3
179.03516	0.7
179.05597	1.5
181.06552	0.3
181.12343	0.6
183.04526	0.7
191.05595	0.5
193.53102	0.3
196.05226	0.4
197.06070	0.7
199.04059	0.4
201.05612	0.8
225.05594	1.1
225.11356	2.8
227.03519	0.6
231.10204	0.5
249.11234	0.6
255.02937	0.4
261.94189	0.2
263.13071	0.3
267.12427	0.4
268.03842	2.3
269.04550	100.0
270.04874	6.2
283.02579	0.4
283.13223	0.4
285.03970	1.2
286.04559	0.3
287.05551	0.3
291.12329	1.3
301.07248	0.6
309.13406	0.3
341.08694	0.3
358.00314	0.3
369.15521	2.7
505.77332	0.2
549.22034	3.4
550.22217	0.4
595.21851	0.9
639.20770	10.7
640.21014	1.5
657.17914	0.4
657.27435	0.8
742.07330	0.3
819.27112	6.9
819.42816	0.5
820.27026	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	819.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.3
59.01378	50.1
61.98817	1.6
62.75465	1.1
68.49038	1.2
68.99804	2.3
69.03419	1.6
71.01380	40.0
73.02951	9.9
83.01405	7.3
85.02946	17.3
87.00846	1.4
89.02453	14.1
90.44971	1.2
90.56389	1.3
95.01389	5.6
97.02969	1.7
98.21854	2.6
99.00869	2.6
101.02436	27.4
106.21571	1.1
108.02164	1.3
109.02942	2.3
111.00887	1.2
113.02455	16.0
119.03472	3.7
121.02937	1.4
125.02441	2.8
133.02953	8.9
135.04536	3.8
143.03503	2.6
149.02438	2.7
150.03156	1.6
151.00386	8.1
155.03476	1.5
159.02950	1.3
161.02437	4.5
161.04547	3.9
172.05307	2.2
175.04048	1.4
179.03508	2.0
185.06032	1.7
191.05571	2.2
199.04095	2.8
213.05646	1.8
217.05057	1.9
227.03474	4.0
241.05095	1.4
269.04459	8.1
283.13443	8.5
284.03159	6.3
285.04047	100.0
286.04355	9.5
301.14389	3.0
309.14801	2.9
311.13138	2.9
327.12515	2.2
327.15988	1.9
329.13745	2.5
353.13754	1.8
364.30521	1.1
371.14935	3.0
435.34634	4.1
447.09198	5.3
489.10260	1.4
495.36450	1.5
528.51709	1.6
625.77435	1.3
639.40631	4.0
643.71301	1.3
775.23029	2.1
783.43939	1.7
788.79657	1.4
819.24915	23.3
819.47394	88.2
820.25183	6.3
820.48035	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	819.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.3
59.01378	50.1
61.98817	1.6
62.75465	1.1
68.49038	1.2
68.99804	2.3
69.03419	1.6
71.01380	40.0
73.02951	9.9
83.01405	7.3
85.02946	17.3
87.00846	1.4
89.02453	14.1
90.44971	1.2
90.56389	1.3
95.01389	5.6
97.02969	1.7
98.21854	2.6
99.00869	2.6
101.02436	27.4
106.21571	1.1
108.02164	1.3
109.02942	2.3
111.00887	1.2
113.02455	16.0
119.03472	3.7
121.02937	1.4
125.02441	2.8
133.02953	8.9
135.04536	3.8
143.03503	2.6
149.02438	2.7
150.03156	1.6
151.00386	8.1
155.03476	1.5
159.02950	1.3
161.02437	4.5
161.04547	3.9
172.05307	2.2
175.04048	1.4
179.03508	2.0
185.06032	1.7
191.05571	2.2
199.04095	2.8
213.05646	1.8
217.05057	1.9
227.03474	4.0
241.05095	1.4
269.04459	8.1
283.13443	8.5
284.03159	6.3
285.04047	100.0
286.04355	9.5
301.14389	3.0
309.14801	2.9
311.13138	2.9
327.12515	2.2
327.15988	1.9
329.13745	2.5
353.13754	1.8
364.30521	1.1
371.14935	3.0
435.34634	4.1
447.09198	5.3
489.10260	1.4
495.36450	1.5
528.51709	1.6
625.77435	1.3
639.40631	4.0
643.71301	1.3
775.23029	2.1
783.43939	1.7
788.79657	1.4
819.24915	23.3
819.47394	88.2
820.25183	6.3
820.48035	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	819.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.2
59.01379	67.8
61.98829	35.7
68.99815	3.5
69.03460	2.1
70.96313	1.2
71.01380	40.7
72.99317	1.7
73.02945	8.2
83.01392	4.4
85.02949	14.9
86.00103	1.4
87.00860	2.6
89.02444	21.2
95.01372	5.7
96.96006	1.7
97.02941	1.1
99.00875	2.5
101.02440	33.3
107.98792	1.2
108.02108	1.1
109.02958	1.5
111.00822	1.2
113.02461	14.9
119.03499	7.3
121.02935	1.9
123.04518	3.1
125.02458	2.8
131.03473	1.1
133.02946	3.4
135.04506	4.8
137.02417	1.7
143.03465	1.7
149.02435	1.5
149.06117	1.8
150.06874	15.6
151.00369	4.9
155.03503	7.6
159.04408	1.3
161.02432	4.3
161.04561	6.5
163.07632	4.9
164.08421	2.7
174.03209	1.9
179.10780	11.0
191.05562	6.8
199.03951	1.5
204.80316	1.0
221.06635	1.9
269.04547	5.0
284.03214	5.8
285.04019	28.6
286.04416	4.1
301.07208	8.1
325.14435	1.2
329.14203	1.3
343.15698	1.9
371.15201	1.8
435.34906	1.8
447.09476	1.8
480.34695	2.0
494.35986	3.1
495.37009	18.4
496.37048	1.4
608.12091	1.4
639.41138	11.7
657.41254	2.0
801.24225	1.4
802.25232	1.3
819.25409	7.7
819.47577	100.0
820.25018	2.2
820.47601	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	820.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.6
58.46043	2.4
59.01378	66.4
61.98838	18.5
69.66138	2.8
71.01385	66.6
73.02939	15.1
83.01396	5.8
85.02954	19.3
87.00874	3.3
89.02442	39.4
97.02956	3.9
99.00896	4.9
101.02451	46.4
111.00885	3.9
113.02448	25.5
119.03510	14.7
125.02444	15.1
131.03488	6.8
133.02913	3.1
143.03456	4.4
151.00375	3.3
152.23193	2.5
161.04521	13.0
179.05705	13.7
191.05627	6.3
221.06731	11.4
255.02887	4.0
256.03452	3.5
263.07715	7.0
269.04501	4.8
283.02380	3.6
284.03259	26.0
285.03873	31.0
286.04309	13.2
288.65054	3.1
300.94785	3.3
314.03589	3.5
323.09854	29.2
453.30011	10.8
456.97537	2.5
608.11432	10.7
609.12360	23.7
610.12939	3.5
615.35571	6.7
688.33057	3.3
733.41388	6.3
777.40564	100.0
778.41193	16.5
820.24921	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	821.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
59.01373	2.3
60.99302	0.5
67.01891	4.6
69.03454	2.4
71.01374	3.2
71.05023	0.5
74.81940	0.2
75.21887	0.3
81.03457	0.5
83.05032	0.8
85.02946	0.5
87.00891	0.4
89.02438	0.3
93.03460	25.3
94.03806	0.6
101.02393	0.3
105.57700	0.3
109.02953	0.5
111.00889	0.9
111.04523	4.7
111.08194	0.3
113.02454	0.5
137.02438	5.2
139.11255	1.7
155.03502	4.7
161.02399	0.3
173.04550	100.0
174.04878	2.7
183.10254	7.7
185.31180	0.2
212.49008	0.3
225.01649	0.2
295.48834	0.3
313.01196	0.3
357.15540	55.7
358.15872	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	823.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.6
59.48664	0.4
67.01888	0.9
69.03449	1.0
69.34393	1.8
71.01386	3.6
73.02937	0.9
81.03468	0.4
83.05013	0.9
85.02953	1.2
87.00879	1.3
87.14111	0.4
89.02434	3.1
93.03453	7.0
94.03799	0.9
95.01425	0.4
99.00869	0.8
101.02449	1.7
109.02955	0.6
109.06606	2.5
110.33797	0.4
111.00935	0.4
111.04523	3.6
113.02453	1.0
116.92875	0.6
119.03525	0.8
135.08165	11.0
136.08478	0.6
137.02415	1.5
139.11299	2.2
149.04535	1.2
153.09209	8.4
155.03499	4.1
173.04552	19.6
174.04909	4.5
175.05003	1.5
183.10216	0.6
185.11829	100.0
186.12151	2.6
191.05595	1.2
197.08176	11.2
198.08585	0.4
205.48810	0.4
262.58588	0.4
271.14630	0.3
316.09225	0.4
316.62564	0.4
324.35007	0.4
357.15463	4.3
358.15891	3.8
359.13330	18.7
359.17123	52.0
360.13702	1.0
360.17557	2.2
361.55573	0.6
463.21912	4.1
705.54626	0.4
755.16742	0.4
789.01050	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61689	1.1
59.01369	4.7
65.39622	1.1
69.03452	2.0
71.04987	1.5
71.44019	1.0
78.95907	9.7
80.02678	2.3
81.03455	6.4
82.23856	1.0
83.01394	9.7
83.05029	4.1
94.55442	1.1
95.05024	2.8
96.69573	1.1
97.02931	5.4
97.06593	7.7
106.04261	1.8
107.05027	1.2
109.06591	3.4
110.03764	1.2
117.17985	1.0
119.08659	1.1
121.06600	1.5
121.10228	1.6
122.54655	1.1
123.04531	7.3
123.08159	3.3
125.06129	1.3
125.09724	15.7
126.10098	1.2
135.08124	2.5
137.06100	1.2
137.09747	7.9
141.09314	1.2
141.12842	1.8
149.06058	2.4
149.09641	1.8
152.99611	2.3
161.09721	1.7
163.07704	1.9
163.11288	13.2
164.11615	1.6
165.09201	1.8
165.12830	3.3
165.84967	1.0
167.10803	1.8
171.10219	1.1
179.10739	1.7
181.12396	2.9
185.11835	10.9
191.10789	4.0
191.14447	13.8
194.86359	1.0
207.10234	8.2
209.11833	81.1
210.12009	1.3
211.13437	1.3
217.15994	1.1
225.11375	7.6
226.12140	1.2
242.07961	2.9
245.19107	30.9
245.21486	2.3
246.19501	1.6
263.20190	3.3
271.17081	3.5
277.21722	93.4
278.22049	4.0
289.18106	99.4
290.18472	4.2
307.19153	100.0
308.19473	3.2
351.20377	1.1
422.65710	1.2
502.29419	48.7
503.29846	5.8
509.01111	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
61.28690	0.3
99.92583	8.9
102.50108	0.3
110.11391	0.3
116.92859	100.0
117.92870	2.9
152.99548	0.4
255.23335	0.7
284.03317	0.9
285.04080	1.5
344.85626	0.5
397.24332	0.4
418.64484	0.4
650.38104	0.4
707.30652	1.8
812.69611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	3.8
60.99289	0.8
61.98827	4.2
67.01883	1.2
69.03460	0.8
69.11593	4.6
71.01371	2.4
81.03457	0.8
85.02956	2.8
87.00879	1.6
88.98817	1.4
89.02402	1.7
93.03458	6.7
95.01373	1.2
96.96004	4.0
97.02934	1.7
101.02448	2.3
108.02213	1.7
109.02990	1.7
111.00877	0.8
111.04488	1.2
113.02493	0.8
114.46201	0.7
116.92859	0.8
119.04980	1.5
121.02966	4.4
122.03754	15.9
123.00900	2.8
123.04519	2.8
124.01672	1.1
125.02467	2.2
126.85445	0.8
133.02980	4.9
134.03760	2.1
135.04509	5.4
136.01671	5.5
137.02458	4.1
138.03210	2.2
139.00397	2.3
139.04031	1.6
145.02968	1.9
146.03772	1.0
147.04517	2.9
149.02446	16.8
150.03224	100.0
151.00371	9.5
151.04005	6.3
151.23773	0.7
153.01924	2.1
153.05597	1.5
155.03552	1.4
159.04524	1.3
161.02449	8.0
162.03201	1.7
163.03963	2.1
164.04814	4.3
165.01909	2.1
165.05565	83.5
166.02711	17.1
166.05913	2.1
167.03481	0.8
173.04565	2.7
174.03146	1.3
175.03963	3.1
175.73209	0.8
176.04803	1.1
177.01923	1.8
177.05524	2.5
179.03490	3.3
180.04268	7.4
181.05058	23.1
187.07498	1.0
191.03587	5.2
191.05492	5.6
192.04272	1.2
193.05014	2.6
195.06616	31.4
203.03488	5.8
204.04242	1.0
205.05064	2.1
207.06627	2.2
209.08243	1.8
218.05811	7.4
219.06648	1.8
221.04578	2.6
221.08261	1.0
233.08182	4.8
234.05307	1.1
236.06859	8.0
238.57014	0.8
249.07741	2.0
251.09254	17.6
269.04483	1.7
271.06281	1.1
275.02744	0.8
284.03177	1.4
285.04041	6.5
339.08908	0.8
343.08139	1.3
355.07983	1.2
355.11908	0.8
357.09927	1.0
358.10452	4.7
370.10583	1.3
372.12271	0.8
373.13022	8.6
383.08997	0.8
383.67474	0.8
385.12949	1.5
399.14517	1.5
402.09332	0.8
402.59668	0.7
403.09705	1.3
403.14169	1.8
417.11746	1.6
418.12640	2.2
429.14539	0.9
431.13651	3.4
432.14236	2.4
433.15042	10.3
449.14838	1.3
581.20221	2.9
611.20972	1.2
629.22363	100.0
630.22821	12.1
723.60876	0.9
825.27716	1.2
825.40991	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	825.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.4
59.24603	1.7
60.43332	1.7
69.03426	2.1
69.68638	4.9
69.69028	4.3
71.01360	3.5
74.25990	1.9
77.01862	2.2
79.48218	2.0
82.13441	1.9
85.02943	2.2
93.03458	9.3
95.01373	3.4
96.96022	6.4
98.21845	2.6
101.02430	5.7
109.02916	2.5
121.02943	5.5
122.03728	13.4
123.00846	3.3
123.04501	2.6
133.02921	6.9
135.04475	10.5
136.01636	4.4
137.02431	3.9
138.03175	2.4
139.00354	2.6
149.02466	18.5
150.03221	86.6
151.00381	10.8
151.03923	6.5
151.73781	2.2
155.03448	2.8
161.02429	7.8
164.04720	3.7
165.05562	73.2
166.02736	20.8
166.05833	2.2
173.04532	3.5
173.06183	1.9
174.03128	2.0
175.03998	3.3
177.05554	4.9
179.03500	3.9
180.04247	7.4
180.05757	2.1
181.05061	27.4
191.03455	5.6
191.05585	10.5
192.04195	2.0
193.05057	2.8
195.06631	28.4
203.03561	10.8
207.06599	4.9
214.27919	2.3
218.05827	5.5
221.04466	4.1
225.07454	2.2
233.08264	4.3
236.06978	9.3
251.09280	20.3
269.04510	4.7
280.08353	2.2
285.04001	15.1
310.01004	2.1
343.12119	2.0
358.10638	3.8
373.12772	12.2
385.13019	3.6
418.13046	2.8
432.14279	3.2
433.14914	8.7
581.20251	6.3
597.06720	2.3
601.80634	2.3
629.22430	100.0
630.22888	6.6
698.02441	2.5
825.33960	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	827.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	19.8
67.01890	9.8
68.99817	59.4
69.03455	6.1
69.81226	2.4
71.01384	12.3
73.02946	1.1
83.01378	1.0
83.69413	0.8
85.02948	2.9
86.80315	0.7
87.00889	1.1
89.02445	6.2
101.02441	100.0
102.02774	1.0
111.00860	1.2
113.02440	2.1
119.03514	2.3
121.02955	3.5
127.04003	16.1
132.94586	0.7
133.02937	1.3
134.03737	1.1
135.04532	1.9
149.02440	2.4
155.03441	0.8
161.02437	2.9
166.97894	0.8
181.05095	2.2
191.05598	2.9
193.05064	1.9
197.06128	1.1
198.62093	0.7
199.07709	0.8
225.05466	1.2
227.07135	1.8
249.11273	3.6
255.06912	1.0
257.08133	0.9
269.08209	1.5
275.12927	1.1
277.10794	2.4
285.07996	0.8
285.11252	1.1
297.07617	1.8
303.12296	1.7
329.10413	1.7
333.13361	2.0
361.13037	1.0
483.15097	2.8
491.15433	2.0
523.18195	6.6
551.17719	2.7
563.17615	1.1
595.16748	7.2
621.21240	1.1
827.26105	58.9
828.26807	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	827.262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
67.01883	14.5
67.94701	1.6
68.99816	69.7
69.03458	23.6
69.22071	10.7
71.01380	52.8
72.99319	2.6
72.99722	1.9
73.02946	2.8
83.01398	2.4
85.02935	11.9
87.00870	3.4
89.02444	44.8
91.43891	1.8
93.03461	8.6
95.01372	5.7
96.96011	17.2
98.21822	3.0
99.00861	5.9
101.02445	98.6
113.02447	14.0
116.92853	2.0
117.03472	3.2
119.03516	17.2
119.05005	6.7
121.02953	3.7
123.04493	2.1
127.04020	22.4
133.02975	3.8
135.04498	6.7
143.03513	4.5
143.05025	3.9
145.06641	3.0
147.04517	3.9
149.02449	5.2
150.03246	2.5
151.04007	2.4
153.05504	2.5
161.02452	4.6
163.03960	4.7
165.05511	2.9
171.04482	11.3
173.04692	1.9
173.06093	4.2
177.05539	3.2
179.03510	1.9
179.05568	5.6
179.07130	15.5
183.04544	2.2
191.05579	7.3
195.06578	3.3
199.04013	9.1
215.07013	3.0
227.03464	5.4
227.06969	2.6
231.06593	3.8
244.90514	1.7
259.06070	5.0
259.09714	2.6
291.08682	8.7
308.91141	1.8
343.11597	2.5
483.14905	2.9
519.18921	2.4
523.18286	19.0
551.17389	6.8
595.16333	10.4
621.21600	2.2
647.19806	3.4
713.39410	1.8
827.26166	98.7
827.42670	4.0
828.26636	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	827.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.2
60.97519	1.3
61.98831	3.3
68.99821	4.8
69.03451	1.9
71.01377	8.1
73.02947	1.2
85.02952	1.9
89.02438	6.3
93.03452	1.6
94.02978	10.4
95.01394	1.2
96.95996	3.8
101.02440	12.2
109.02918	0.9
113.02459	2.7
116.92870	0.8
117.03455	1.3
119.03506	2.2
121.02954	0.9
122.02479	30.8
130.06570	0.6
132.02170	2.1
133.02948	34.1
134.03587	1.2
135.04524	11.8
137.02402	0.8
148.75723	0.7
149.02422	0.9
150.03223	1.5
151.00406	0.8
161.02434	100.0
161.93893	0.6
162.02771	3.0
165.00146	1.8
165.05548	1.6
173.04559	1.7
179.03505	6.4
179.05579	1.6
183.10211	0.8
191.05598	2.3
195.06641	1.1
197.02805	1.0
201.49997	0.6
231.64502	0.7
285.04016	3.7
286.04639	0.8
372.08972	1.9
390.10272	0.6
520.12518	1.1
552.15436	16.4
622.19989	3.2
765.23041	0.8
778.31879	0.8
827.42285	53.0
828.42584	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	828.5392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.9
61.98827	1.1
69.19907	4.6
71.05033	1.3
78.95896	8.4
83.05017	1.4
86.06569	0.8
96.96961	2.4
97.06588	2.1
111.08141	9.3
113.09734	1.3
121.10227	1.5
125.00124	1.0
129.48782	0.9
151.11298	1.3
152.99562	4.4
167.10770	2.9
171.10292	1.8
177.12868	1.5
179.10788	2.2
181.12383	0.9
185.11853	2.6
191.31256	0.9
195.13872	7.3
198.17543	0.9
209.11842	2.9
211.13309	1.1
242.08047	2.5
245.06931	0.9
247.20668	3.7
273.18582	3.8
279.23288	54.1
280.23642	3.4
291.19644	100.0
292.20065	6.0
309.20624	3.8
433.23727	2.2
434.92331	0.9
459.24594	1.5
504.30920	18.8
505.31409	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	829.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.1
59.80959	0.5
69.03432	0.5
69.53249	0.9
69.53642	0.9
71.01394	2.0
79.55229	0.4
85.02946	5.6
87.00913	1.0
89.02445	2.7
93.03492	2.2
98.22562	0.9
101.02445	1.7
107.12905	0.4
111.04517	0.5
113.02447	1.2
119.03505	0.7
127.04002	1.2
133.02007	0.7
133.02957	8.3
134.03694	1.5
135.04530	32.9
136.04877	1.2
151.06139	1.0
155.03563	0.5
161.02449	38.7
162.02824	1.0
173.04533	1.4
179.03497	35.5
180.03835	1.5
191.05615	100.0
192.05977	2.6
218.34703	0.5
221.04698	0.7
252.50215	0.5
281.06772	0.6
313.11526	0.6
351.07303	1.1
352.07370	0.6
353.08734	16.5
354.09064	0.5
444.22604	0.5
475.14575	88.9
476.14941	4.5
598.10504	0.6
672.03455	0.6
759.79700	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	21.5
60.99279	1.3
61.98821	1.6
65.03948	1.4
67.01889	6.1
67.37547	0.7
67.39428	0.6
68.99809	1.3
69.03439	3.0
71.01382	25.8
72.99284	1.9
73.02558	0.9
73.02947	13.4
81.03436	1.6
81.14540	0.6
82.95415	0.9
83.01386	4.8
83.05032	1.7
85.02942	11.1
86.00088	0.9
87.00855	2.5
88.91200	0.7
89.02443	7.1
93.03457	55.1
94.03763	0.9
95.01357	1.9
96.95985	2.0
97.02935	2.0
99.00860	3.8
101.02441	21.2
109.02963	1.7
111.00859	2.2
111.04533	7.9
113.02442	8.7
115.03988	1.7
116.92837	0.8
117.03337	0.8
121.02916	0.8
122.03754	0.8
125.02420	2.7
127.04005	2.0
131.03503	1.6
133.02925	2.3
134.03725	6.0
135.04494	3.8
137.01424	1.3
137.02444	24.5
143.03560	1.3
149.02441	1.4
149.05971	1.0
150.03259	4.7
151.00400	0.8
151.03940	1.0
155.03520	11.5
159.02972	2.4
160.01579	2.1
161.02495	5.1
161.04544	4.9
165.01947	3.7
165.05559	5.3
166.06224	0.9
173.04546	84.1
174.04845	1.7
175.03976	2.9
179.03468	3.3
180.04219	2.9
181.05020	1.3
181.08804	1.0
191.05630	5.3
193.05019	3.1
195.06631	8.1
225.07658	3.4
233.06679	1.0
285.03934	2.0
303.18073	5.8
347.16962	3.0
349.09222	2.8
359.15259	1.3
367.10565	0.8
373.11969	0.7
407.17050	0.8
461.20169	1.1
476.49567	0.7
479.21326	64.0
480.21667	3.1
487.32697	1.0
653.26611	100.0
654.26941	7.6
800.90106	0.8
829.31226	24.9
829.44788	3.0
830.31305	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	0.6
59.01380	23.6
60.99287	0.7
61.98831	1.5
64.24781	0.6
65.03974	1.4
67.01891	7.5
68.99821	1.2
69.03452	3.3
71.01379	26.5
72.99310	1.2
73.02943	13.7
75.00848	0.8
81.03458	2.2
83.01392	5.4
83.05040	1.9
85.02948	13.9
85.54668	0.6
86.00106	0.8
87.00881	2.7
89.02444	7.7
93.03456	67.9
94.03796	1.2
95.01392	2.6
96.02155	0.8
96.96009	2.8
97.02957	2.7
99.00877	5.6
101.02442	25.5
106.48812	0.5
109.02950	2.5
111.00877	2.7
111.04531	10.2
113.02450	9.6
115.04003	0.8
116.92854	1.0
117.03486	0.8
119.03515	1.3
121.02975	0.8
122.03758	0.9
123.04479	0.7
125.02480	3.0
125.77872	0.6
127.03973	2.8
129.01968	1.4
131.03482	1.4
133.02971	2.9
134.03743	8.0
135.04512	4.8
137.02444	25.1
140.10423	0.7
143.03513	1.3
149.02437	1.3
149.06108	1.1
150.03244	5.8
151.00427	0.7
155.03503	14.1
159.02988	1.7
160.01654	2.2
161.02483	5.6
161.04547	5.1
165.01913	4.8
165.05550	5.4
166.06296	0.7
173.04546	91.8
174.04877	2.0
175.04028	2.1
177.01978	0.7
177.05634	0.7
179.03491	3.9
180.04260	3.3
181.04988	0.8
181.08783	0.7
185.11845	2.1
191.05588	6.8
193.04991	3.4
195.06616	9.1
196.07062	0.8
221.04640	0.6
225.07686	3.8
228.94637	0.6
233.06564	0.8
285.04163	2.2
303.18076	5.9
344.12521	0.8
347.17108	4.3
349.09293	2.6
359.14975	3.3
373.12762	1.0
407.17297	0.7
435.22485	0.7
479.21335	68.2
480.21786	2.4
487.32587	1.4
653.26581	100.0
654.27051	6.0
747.59631	0.6
829.31134	26.6
829.44159	1.8
830.31415	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	829.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	5.3
59.12725	1.4
71.01367	5.4
72.03945	1.4
79.72683	1.4
85.02934	3.4
86.46456	1.3
88.94205	1.4
89.02424	4.2
101.02429	3.4
105.28802	1.7
113.02438	2.6
119.03490	1.4
125.02428	1.4
161.04567	1.5
195.13800	1.5
211.13361	3.6
217.60225	1.5
228.95424	1.6
331.82852	1.7
582.17694	1.4
614.22583	1.6
615.90027	1.6
631.37909	2.9
793.40472	5.7
829.37744	100.0
830.37976	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	829.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18791	0.6
58.53136	0.7
59.01375	6.6
61.98825	3.9
71.01393	5.3
73.02961	1.0
85.02967	1.9
89.02454	3.3
93.03464	1.2
95.01373	1.0
96.95992	1.7
101.02460	4.4
105.03460	0.8
113.02448	1.9
116.92832	1.2
117.03473	1.3
119.03519	0.8
123.04498	0.9
132.02194	2.7
133.02971	38.9
134.03531	1.3
135.04532	18.0
137.02425	1.2
137.64412	0.7
138.87303	0.7
161.02454	100.0
162.02773	2.1
173.04546	1.1
179.03493	8.5
191.05655	2.2
208.55981	0.7
254.25183	0.9
269.04443	2.6
281.06464	0.9
285.04141	1.5
301.07156	2.6
371.14896	0.9
444.41019	0.8
829.42261	52.2
830.42224	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	831.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	19.0
69.07954	3.6
71.01389	9.3
73.02945	2.2
83.01390	0.6
85.02952	2.9
89.02453	8.5
93.03457	1.4
95.01389	0.8
95.05045	0.8
98.21870	1.1
99.04433	0.5
101.02437	5.3
113.02441	3.4
119.03486	2.4
121.02914	0.6
133.02968	1.6
134.03740	3.9
135.04529	6.6
137.02480	1.1
150.99615	0.5
161.02451	1.7
163.11319	3.3
170.07243	0.6
173.04570	0.7
178.02614	0.6
179.03528	4.2
181.12354	23.4
182.12689	0.9
191.05629	2.1
207.10358	0.6
225.11328	56.0
226.11691	2.5
312.12735	0.5
343.97006	0.6
369.63824	0.5
405.17664	100.0
406.18066	6.0
425.14481	9.1
426.14905	0.6
831.34766	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.9
61.98830	0.6
68.99821	0.4
69.03436	0.4
69.46989	0.4
71.01386	4.4
72.99248	0.4
73.02947	1.5
80.64869	0.4
82.79913	0.3
83.01399	0.7
85.02966	2.0
87.00890	0.9
88.98782	0.5
89.02454	2.2
90.62728	0.4
93.03444	0.5
95.01390	0.4
96.95993	1.1
97.02960	0.7
99.00846	0.6
101.02472	2.3
105.03496	0.4
107.05021	0.8
109.02931	0.5
113.02460	1.4
116.92800	0.5
117.03487	1.0
121.03016	0.4
123.04514	0.5
131.03500	1.2
132.02190	0.6
133.02960	13.5
134.03758	8.5
135.04533	36.3
136.04845	0.7
137.02435	1.4
139.03973	0.5
150.03212	0.6
150.06822	0.9
155.03485	0.5
161.02449	29.8
161.08279	0.8
162.02834	0.5
163.07648	0.5
173.04654	0.4
176.91681	0.4
177.01912	1.5
178.02631	0.6
179.03494	20.1
180.03877	0.5
191.05573	0.9
193.04938	0.4
215.46637	0.4
215.67450	0.4
285.04062	1.3
345.78284	0.4
357.20712	0.5
375.21838	3.4
416.43524	0.4
500.04260	0.4
519.26160	0.7
537.27014	10.6
537.34650	0.8
538.27362	0.7
669.31299	100.0
670.31659	7.3
831.35272	12.1
832.37042	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.1
59.95995	0.3
61.98808	0.4
65.91659	0.4
69.11994	0.7
69.12414	2.0
71.01379	4.2
73.02950	2.1
83.01375	0.8
85.02944	2.1
89.02463	2.1
95.95208	1.1
96.95988	0.9
99.00867	1.6
101.02434	3.1
105.03465	0.9
107.05013	0.5
113.02429	1.2
117.03433	0.8
121.62286	0.4
122.02457	0.8
125.02451	0.6
133.02953	15.7
134.03746	8.9
135.04517	40.6
137.02463	1.8
149.02431	0.4
161.02434	45.8
162.02765	1.2
173.04568	0.6
177.01892	1.2
178.02620	0.6
179.03490	21.8
191.05559	0.9
214.01978	0.4
241.53090	0.4
263.75259	0.6
269.04764	0.5
285.03992	1.2
311.10266	0.8
323.08008	0.4
357.20773	0.4
369.36810	0.4
370.25882	0.4
375.21503	2.7
519.25952	0.5
537.27051	10.9
538.27148	0.6
669.31226	100.0
670.31549	7.0
737.15375	0.4
831.36017	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	831.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	11.3
61.98832	14.7
63.32557	3.4
71.01368	10.7
74.36949	3.6
81.47359	3.5
82.95428	6.8
89.02451	4.1
96.96000	4.1
101.02440	7.8
129.18813	3.5
133.02951	15.9
135.04506	13.7
151.14859	3.9
161.02432	43.5
179.03458	6.1
179.05586	3.8
285.03973	4.7
323.09631	4.2
352.34424	3.7
359.07498	29.0
471.28366	7.1
471.34793	100.0
620.16956	6.3
795.45306	5.1
831.43280	92.6
832.44031	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	831.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68633	0.6
59.01377	3.6
60.14793	0.5
69.21883	3.0
71.01381	2.4
73.02937	0.6
85.02953	2.0
87.00871	1.2
89.02441	0.7
101.02430	0.7
111.08151	1.2
113.02470	1.1
128.66591	0.6
130.50591	0.6
133.02901	0.8
135.04523	3.5
135.08208	1.2
149.06122	4.2
150.06868	42.7
151.07294	1.2
153.09235	1.1
155.10770	0.8
157.08710	1.2
161.02415	2.7
162.06883	5.4
162.28722	0.6
163.07649	19.7
164.08421	6.5
164.95670	0.6
171.10228	1.1
176.08435	3.3
177.09169	2.9
178.09966	2.2
179.03494	1.9
179.09291	0.8
179.10785	13.8
179.12349	0.7
279.23227	1.3
281.21274	1.3
283.19135	1.2
325.23856	1.8
327.21762	5.9
333.75159	0.6
443.31696	0.7
444.32224	0.9
446.30341	8.2
447.30646	1.4
454.67661	0.8
460.32092	8.8
461.26202	0.8
461.32684	19.5
462.32971	1.7
487.30640	1.8
488.31573	4.9
489.32251	2.3
505.31711	3.1
506.32468	12.9
507.33228	29.8
508.33810	2.8
537.26971	0.9
574.52582	0.7
651.37463	1.6
652.38031	0.7
669.30615	4.5
669.40717	8.1
670.30664	1.2
831.43927	100.0
832.44159	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.2
61.98826	1.1
68.99815	0.3
69.22976	1.0
69.23382	0.6
71.01387	3.0
73.02938	0.6
76.09415	0.3
81.06518	0.3
83.01382	0.5
84.95145	0.3
85.02938	1.6
87.00885	0.5
89.02441	1.3
89.03967	0.4
93.03461	0.6
95.01375	0.4
96.96033	0.8
99.00869	0.5
101.02431	2.3
105.03485	0.4
107.05019	0.5
113.02456	1.0
117.03465	1.9
119.03502	0.6
123.04558	0.5
123.16630	0.3
131.94098	0.3
132.02177	2.2
133.02959	36.1
134.03821	1.7
135.04520	14.9
136.04858	0.6
137.02480	0.3
155.03494	0.5
161.02444	100.0
162.02786	3.5
163.04022	0.4
173.04550	0.4
177.05533	0.5
179.03496	7.2
179.05205	0.4
191.05629	0.8
211.09735	0.5
269.04562	0.6
281.06619	0.3
284.03333	0.5
285.03876	1.6
299.05551	0.7
323.07767	0.5
323.14819	0.3
343.15549	0.3
353.12216	0.3
487.67950	0.3
831.43884	49.0
832.29230	0.5
832.44232	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	831.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.1
61.98814	1.5
69.14106	2.3
71.01385	3.9
72.87704	0.3
73.02943	1.2
83.01389	1.1
85.02932	1.8
87.00827	0.4
87.02779	0.3
88.80407	0.4
89.02451	1.8
89.04005	0.4
93.03454	0.4
96.96014	0.7
99.00843	0.4
101.02454	2.6
105.03454	0.5
107.05025	0.6
111.00906	0.4
113.02457	1.7
117.03473	2.7
119.03505	0.6
123.04515	0.6
132.02194	2.3
133.02959	39.9
134.03656	2.1
135.04521	15.6
136.04845	0.6
137.02492	0.4
145.02989	0.4
159.02960	0.5
161.02444	100.0
162.02771	3.2
163.04068	0.5
173.04565	0.4
179.03491	9.2
191.05511	0.4
278.87866	0.4
284.03207	0.6
285.03943	0.8
288.19843	0.4
396.02136	0.3
537.27142	0.7
669.30920	3.5
670.31622	0.5
827.60681	0.4
831.43988	48.1
832.44336	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	831.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	35.2
61.98812	4.0
68.99844	1.4
69.20388	5.6
71.01384	20.2
73.02943	3.2
73.23940	0.9
83.01389	1.7
85.02937	5.3
86.55914	1.0
87.00873	1.8
89.02450	12.2
93.03465	1.6
95.01386	2.1
96.95983	2.6
101.02449	7.7
104.21402	1.0
113.02458	4.1
117.03434	1.2
119.03492	3.5
125.02430	1.4
133.02971	6.1
134.03656	1.9
135.04543	11.2
136.05234	1.8
148.11055	1.0
149.06100	6.5
150.06873	46.0
151.07587	1.1
154.32278	1.0
155.03413	1.6
161.02446	16.7
161.04565	1.3
162.06877	2.5
163.07658	14.9
164.08417	7.0
176.08391	1.9
177.09187	2.1
178.10056	3.2
179.03493	4.0
179.10791	17.9
181.93518	1.0
182.81548	1.0
191.05634	4.3
254.91769	1.1
256.64874	1.2
269.04483	3.6
285.03922	2.4
309.20639	2.0
327.21805	2.5
415.28662	2.0
430.30777	3.6
445.33215	6.5
446.30283	3.4
461.32791	9.7
471.30841	1.4
488.31299	4.8
489.32275	9.3
490.32782	1.5
506.32556	1.5
507.33289	9.3
537.26898	1.4
651.37939	1.9
669.30463	8.3
670.31311	1.8
831.43896	100.0
832.44067	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	833.251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
60.55978	0.2
61.98815	0.6
63.02401	0.2
63.83562	0.2
65.00325	2.1
67.26864	0.2
68.36648	0.2
68.99800	0.3
71.01378	0.4
71.19327	0.2
79.73497	0.2
80.02659	0.2
83.01376	1.2
85.02927	0.3
85.57498	0.2
87.00871	0.2
93.03471	0.2
94.96247	0.2
95.01376	0.3
96.96026	0.3
101.02435	1.0
107.01390	3.3
108.02178	2.2
108.19106	0.2
113.02428	0.4
116.92858	0.5
121.02943	0.3
124.01639	0.4
125.02442	3.5
133.02921	0.3
134.03748	4.8
135.04544	1.4
135.72763	0.2
136.01657	4.3
149.02419	0.3
149.06114	1.0
151.00366	8.5
152.01088	0.4
155.03491	0.6
158.03766	0.9
160.01614	0.3
161.02415	0.5
161.04646	0.2
164.01155	12.1
165.01680	0.3
167.10802	1.1
171.84027	0.2
172.05186	0.3
173.06046	0.9
174.03220	3.5
175.00349	0.3
175.04012	0.4
176.04797	0.3
177.01903	0.5
179.03542	0.3
185.02390	0.4
187.04007	0.4
188.04767	0.4
191.05573	0.2
191.07147	0.3
196.00172	2.1
197.06096	0.2
198.03107	0.3
199.04008	3.7
200.01082	0.3
200.04761	1.2
201.01912	2.4
202.02682	0.4
213.05545	0.6
214.06270	1.1
215.03535	1.6
215.07011	0.6
216.04333	0.4
217.05042	0.7
224.04834	0.5
225.05559	0.3
225.11270	0.2
227.03497	1.0
230.05920	0.3
233.08170	0.4
240.04292	0.9
241.05042	1.5
242.05847	5.9
243.02957	0.2
245.88925	0.2
257.04608	0.2
257.05246	0.3
257.08163	2.6
258.05283	1.8
268.03818	1.2
269.04578	0.3
283.06088	1.1
284.03384	0.3
285.04111	1.8
286.04825	7.7
286.08014	0.4
301.07166	100.0
302.07538	3.6
325.07175	0.9
343.08054	0.5
397.42212	0.2
597.68939	0.2
601.15723	0.6
787.52148	0.2
833.24475	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	833.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.2
61.98822	0.7
65.00315	1.7
68.99814	10.2
69.03436	0.4
70.50691	0.5
71.01379	3.2
72.99302	0.3
83.01381	0.3
85.02941	1.0
89.02434	3.0
89.22829	0.3
89.47406	0.3
91.01880	0.4
92.12438	0.3
93.03445	1.3
96.96007	0.8
99.00852	0.5
101.02441	8.9
108.02174	0.4
109.02927	0.6
113.02446	1.5
117.03474	0.8
119.03511	0.7
121.02957	2.1
123.98425	0.3
127.04005	0.5
133.02953	0.9
134.03743	7.8
135.04526	12.4
136.04953	0.4
137.02449	0.4
141.03468	2.0
145.02922	1.6
149.06087	2.0
150.06862	2.6
151.00319	0.4
151.03963	0.4
158.03714	2.6
159.04553	1.9
160.01656	0.9
161.02451	4.9
163.00330	0.8
163.03996	2.0
163.07692	0.8
169.02946	0.6
173.02379	0.5
173.06061	0.9
174.03201	1.1
175.00305	1.1
175.03993	1.4
177.01907	0.8
177.05550	1.2
179.03485	0.8
179.10725	0.8
185.02422	5.8
186.03123	1.2
187.03931	1.2
188.04778	0.4
189.01917	1.7
191.05568	0.8
193.05009	0.6
195.06647	0.6
197.06023	0.8
198.03230	1.6
199.03957	1.3
200.01004	0.7
200.04756	2.1
201.01912	2.2
201.05443	0.6
202.02704	2.6
203.03447	0.9
213.01985	1.8
213.05440	0.4
214.02725	0.6
214.06306	0.4
215.03471	1.6
215.07109	1.1
216.04163	0.8
217.05057	5.1
217.08540	0.3
218.05508	0.4
219.06567	0.5
225.05585	0.4
226.02707	0.8
227.03510	0.7
228.00627	1.8
229.01427	1.5
230.02147	0.9
232.03700	0.5
237.05573	0.6
239.03452	0.6
241.05026	0.8
242.05885	0.4
243.02966	3.9
244.03706	1.8
245.04468	2.2
253.05125	0.4
254.05701	0.5
255.03082	0.3
255.06445	0.6
256.03748	0.6
257.00925	1.1
257.04407	0.8
258.05356	2.5
259.05933	0.4
265.05026	1.0
267.06403	0.5
269.04520	0.5
271.05975	0.6
277.05011	0.5
279.03183	0.4
279.06583	0.3
281.04391	0.6
283.06134	0.8
285.03940	0.6
291.06644	0.4
293.04800	0.3
295.05859	0.4
301.07172	1.4
303.06506	1.0
309.04108	0.4
311.05524	0.4
313.07175	1.2
317.08167	0.9
319.06061	0.9
320.06784	1.4
321.07687	1.7
325.07147	1.1
327.08707	1.1
333.07767	0.6
334.08432	0.4
335.09235	2.6
337.07062	0.5
339.08771	0.4
348.06448	0.5
361.07159	0.6
362.07974	1.5
363.08685	5.1
375.08630	0.4
377.10297	2.4
378.07281	1.3
379.08252	2.2
380.09033	0.9
393.09787	4.6
394.09900	0.4
395.11334	8.6
396.11615	0.6
405.13428	0.6
407.07013	1.6
407.12161	0.5
415.11816	1.5
417.09573	0.4
431.11005	0.5
433.12839	2.0
439.10272	7.3
459.10849	1.8
463.33984	0.4
491.13358	2.4
491.33826	0.5
492.13919	0.5
560.25092	0.4
669.31000	0.4
670.31061	1.2
671.19781	100.0
672.20099	11.1
833.45569	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	833.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01112	0.5
59.01386	7.1
69.03454	2.0
69.85366	0.6
71.01382	4.8
73.02940	0.6
85.02954	1.5
89.02441	4.1
93.03474	0.8
96.75366	0.3
97.02961	3.0
98.05998	0.3
101.02459	3.1
104.10586	0.3
104.41180	0.3
112.11057	0.3
113.02453	1.6
117.03470	4.0
119.03497	1.0
119.05027	2.8
123.04514	0.5
132.02206	0.5
133.02965	19.2
134.03716	1.1
135.04530	14.9
135.06657	1.0
136.04893	0.5
137.02385	0.4
145.02956	14.5
149.06091	1.3
161.02448	80.6
162.02818	1.7
163.04013	5.5
168.64378	0.3
177.05573	0.5
179.03508	11.4
179.05183	0.6
189.05566	0.3
191.05630	0.6
193.05075	2.2
205.05031	1.0
221.04553	0.7
251.05566	0.4
265.07208	0.6
272.43884	0.3
281.06662	0.8
373.11319	5.5
374.11795	0.8
459.15079	100.0
460.15402	5.1
734.07886	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.3
69.10471	1.5
69.10895	1.6
71.01368	1.5
79.94328	0.4
85.02931	2.3
87.00880	1.0
89.02430	0.7
101.02435	0.8
103.54778	0.5
112.06037	0.4
113.02435	0.6
120.50885	0.4
125.09728	0.6
135.08112	0.8
136.05385	0.6
137.09671	0.7
149.06068	3.8
150.06862	40.4
151.07510	0.8
155.10748	1.5
161.09764	0.9
162.06866	5.9
163.07651	20.4
164.08411	5.5
171.10216	0.7
176.08469	2.5
177.09171	3.7
178.09969	3.3
178.13423	0.5
179.10765	13.0
222.08105	0.5
265.21597	1.1
265.65970	0.4
285.20706	0.7
309.24100	0.5
327.25385	1.4
329.23285	4.8
329.65683	0.4
333.30148	0.5
334.21371	0.5
371.25314	0.4
430.30640	0.8
445.33160	0.9
446.33951	1.1
448.31970	7.6
462.27542	0.7
462.33487	7.9
463.34290	19.6
464.34637	1.4
489.32336	1.8
490.33069	4.5
491.33411	2.3
505.35364	0.5
507.33264	2.3
508.33945	10.3
509.34802	29.6
510.34998	1.9
653.38910	1.4
671.19440	0.6
671.40094	8.2
672.40540	0.8
748.72070	0.5
833.45416	100.0
834.45624	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	833.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01155	0.5
59.01377	5.1
61.98823	1.4
71.01386	2.9
75.00826	0.5
80.44483	0.6
80.95589	0.6
85.02966	1.5
86.22354	0.6
87.00863	1.0
89.02446	2.3
101.02434	2.4
103.00348	1.2
113.02404	0.9
133.03001	2.9
135.04526	1.3
135.08128	0.9
149.02531	0.6
149.06068	2.2
150.06870	37.2
151.07283	0.7
161.01247	0.8
161.02451	8.0
162.02692	2.6
162.06860	5.4
163.07655	14.4
164.08424	5.7
176.08391	1.4
177.09201	3.6
178.09967	2.7
179.03502	1.2
179.05652	0.8
179.10759	14.1
191.05641	1.1
212.21378	0.5
251.23843	0.8
253.21750	1.7
269.04575	1.5
285.04065	1.2
285.20819	0.9
299.22287	2.8
299.82254	0.6
327.25360	2.3
329.23264	3.0
380.43506	0.6
390.53384	0.6
418.30811	1.9
432.32590	0.8
433.33142	2.9
446.34219	2.0
447.34589	0.9
448.32016	3.8
461.32779	1.3
462.33487	6.8
463.34235	15.5
464.34647	1.3
475.34109	0.9
478.32907	1.8
479.33755	8.7
480.34000	0.8
487.90881	0.7
489.32214	1.4
490.32867	1.0
507.33163	2.7
508.34033	7.0
509.34726	15.3
510.35052	1.2
621.28174	0.7
671.40051	7.5
672.40570	0.8
797.41107	0.9
833.45416	100.0
834.45660	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	833.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	0.8
59.01380	8.2
61.98814	2.5
68.99819	0.8
69.03435	0.9
69.70995	0.7
69.71339	2.7
71.01379	5.5
72.74637	0.7
73.02959	1.0
85.02934	2.6
87.00839	1.2
88.98798	4.4
89.02438	3.6
93.03408	0.7
95.01396	1.4
96.96003	1.3
98.21949	0.8
101.02434	3.7
108.39130	0.7
111.43491	0.6
113.02451	1.9
116.92850	0.9
119.03503	1.0
125.02444	0.8
131.03436	0.8
133.03001	1.7
135.04538	3.3
135.08156	0.9
149.06044	6.7
150.06860	51.4
151.07411	1.0
155.03522	1.2
155.10838	0.8
161.02415	4.4
161.09676	0.9
162.06927	0.9
163.06265	0.8
163.07637	16.4
164.08432	6.7
165.05624	0.9
167.67209	0.7
171.10335	0.8
172.99329	0.6
173.04501	0.6
176.08444	2.5
177.09225	1.1
178.10017	3.7
179.10777	16.1
189.93228	0.7
191.05647	1.9
221.06902	0.7
265.21725	0.8
269.04294	1.1
285.03967	1.6
327.25293	1.7
329.23483	5.5
423.10474	0.7
430.30838	1.6
432.32587	0.8
447.34662	1.0
448.31924	8.9
462.33508	2.7
463.34323	11.6
464.34274	1.0
467.52975	0.7
490.32727	4.2
491.33636	3.5
493.35446	0.7
508.34076	5.7
509.34787	29.5
510.35248	2.0
528.69025	0.8
671.20032	1.9
671.40082	2.6
833.45459	100.0
834.45898	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	835.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.6
60.02144	0.1
63.02399	0.3
65.00320	1.3
68.99807	0.4
69.03443	0.2
70.00144	0.1
71.01370	0.5
75.61888	0.1
78.58482	0.1
83.01385	0.5
89.02431	0.3
90.98644	0.1
93.03436	0.2
95.01395	0.7
101.02457	1.0
105.03447	0.3
107.01389	2.0
109.02982	0.2
113.02416	0.1
119.50291	0.1
121.02957	0.6
123.04498	0.8
132.02205	0.3
133.02948	12.8
134.03320	0.2
135.04533	1.8
143.05009	0.2
147.04448	0.2
149.02431	2.0
149.06081	0.2
150.06790	0.2
151.00372	5.4
151.07208	0.1
155.03508	2.0
161.02440	5.6
168.16052	0.1
169.06584	0.1
171.04543	0.3
175.04005	2.8
177.02005	0.1
177.05519	0.2
177.92496	0.1
179.03490	0.6
183.04472	0.1
185.06053	0.2
187.04021	0.2
189.05560	0.2
191.05618	0.2
195.04472	0.1
197.06131	0.3
198.03200	0.5
199.03984	2.4
201.01974	1.0
209.11876	0.3
212.04794	0.1
213.05545	0.4
214.02664	0.2
215.03490	0.5
217.05092	1.3
221.04659	0.3
223.03975	0.2
229.05051	0.3
234.00287	0.1
239.03595	0.2
240.04219	0.2
241.05074	0.9
243.02986	0.8
251.05542	0.2
255.03090	0.2
257.04538	0.5
267.02921	0.3
281.06570	0.2
284.03195	0.3
285.04025	100.0
286.04388	3.4
287.05496	0.2
323.07843	0.2
393.12012	0.3
422.18082	0.1
449.66199	0.1
466.06824	0.1
549.16101	6.6
550.16425	0.5
631.18213	0.2
642.21643	0.1
799.43707	0.1
834.45465	0.4
835.25964	0.4
835.45770	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	16.1
61.98807	4.4
65.00328	3.4
67.01887	17.3
68.99810	6.7
69.03429	1.7
71.01378	9.9
73.02950	2.1
83.01376	2.3
85.02932	3.6
88.98780	5.1
89.02438	6.9
93.03447	5.7
95.01382	1.9
96.95992	2.0
97.02932	1.7
98.07495	1.4
101.02448	14.7
103.24062	1.7
107.01417	2.4
113.02455	2.5
118.60847	1.7
119.05033	2.3
123.04449	2.1
127.03268	2.0
127.04015	20.1
133.02959	19.6
134.03709	2.2
135.04539	14.8
149.02371	1.8
150.03270	1.7
150.06874	5.3
151.00369	7.8
151.03941	2.1
151.07242	1.7
155.03471	6.0
159.04523	3.7
161.02422	11.0
163.00386	2.3
163.04042	3.5
163.07614	2.3
164.08421	1.7
173.04507	3.5
175.03952	6.2
177.02003	4.1
178.99866	7.4
179.03465	4.1
185.02374	1.7
187.04083	2.1
191.05635	11.6
199.03987	4.3
201.01985	2.5
211.03986	2.6
213.01912	2.7
213.05528	1.5
217.05090	2.3
227.03485	1.8
240.61929	1.6
241.04823	1.7
243.02933	3.2
253.05228	2.1
255.03021	4.2
256.03809	2.0
269.04480	5.6
277.04935	1.9
281.04492	3.3
284.03281	60.3
285.04047	49.3
287.05231	1.5
297.04181	11.1
298.04733	2.1
309.04019	11.7
310.04730	4.9
311.01883	8.8
311.05481	9.2
312.02579	6.2
313.03561	100.0
314.03784	5.9
319.06049	7.4
321.04025	5.7
333.03900	2.1
334.04553	3.9
347.05463	6.7
355.04636	2.5
363.04907	7.0
364.05560	2.5
365.06717	3.6
377.06540	6.5
379.08191	10.3
387.08682	1.8
388.08722	1.7
391.04175	7.2
399.08585	4.7
402.69763	1.9
415.08389	4.0
417.09616	6.8
423.07083	11.6
433.09369	2.0
443.07654	4.3
447.09253	4.2
449.12253	4.5
461.08533	2.3
475.08911	39.9
476.09103	4.9
477.19809	1.7
524.02795	1.8
553.09387	1.9
585.12744	2.0
623.13800	2.2
655.16669	38.4
656.16895	4.8
673.17676	81.7
674.18054	7.8
834.45880	5.2
835.22852	73.9
835.46552	6.2
836.23267	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	835.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	16.1
61.98800	2.2
64.80875	1.5
65.00320	2.2
65.28436	1.6
67.01579	1.7
67.01889	21.5
68.99818	8.3
69.03429	3.7
71.01387	8.4
71.28230	1.7
83.01357	1.9
85.02920	5.7
87.00858	1.6
88.98778	4.9
89.02430	8.1
93.03451	3.7
95.01379	2.3
96.96003	3.7
97.02905	2.0
97.06545	1.7
101.02435	17.0
109.02936	3.2
113.02404	2.9
116.92861	2.1
119.03456	2.0
119.04954	1.5
125.02423	2.5
127.04014	21.3
133.02034	2.3
133.02943	29.4
135.04533	19.5
136.01683	1.6
136.66753	1.8
137.02414	2.5
149.02400	2.8
149.06070	2.3
150.06902	7.7
151.00320	6.2
155.03493	2.3
159.04454	2.4
161.02463	20.2
163.07574	4.4
164.08073	1.9
165.05453	2.3
173.04468	3.6
175.02574	1.7
175.03960	6.2
177.01956	3.7
178.99800	6.8
179.03474	6.1
179.10721	4.4
185.02394	1.7
191.05591	16.0
195.06563	2.8
199.03999	4.6
201.01898	4.5
211.03951	2.3
213.01804	2.1
213.05519	1.9
227.03409	3.0
237.05266	1.7
243.03029	2.4
253.04958	2.1
255.02925	5.9
256.03693	3.2
263.06815	2.4
267.02908	2.0
269.04425	6.9
281.04364	1.9
284.03262	60.9
285.04056	54.2
286.04337	2.8
293.04559	2.1
297.04129	7.1
309.03986	12.3
310.04712	6.6
311.01840	10.6
311.05478	11.3
312.02557	6.2
313.03540	100.0
314.03806	5.7
319.06204	8.2
321.03958	5.7
323.05511	2.0
333.03934	4.7
334.04730	3.3
337.03421	3.5
341.88913	1.6
344.27628	1.6
347.05621	10.1
353.08466	2.5
363.05106	9.1
364.05658	2.9
365.06473	3.5
377.06424	6.1
379.08316	10.6
391.04309	11.2
391.08472	1.7
399.08725	3.4
415.08359	3.4
417.09900	8.4
423.07373	13.7
443.07578	4.3
447.08969	2.4
449.12302	3.1
475.08856	44.6
476.09024	2.2
553.09796	2.9
585.11938	2.4
623.14526	2.0
655.06213	3.0
655.16418	35.7
656.16888	3.7
672.39337	2.2
673.17633	90.7
674.17981	10.1
834.45789	10.3
835.22791	70.6
835.46466	8.7
836.22821	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	836.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	72.7
61.98832	3.1
69.03450	3.9
71.01379	66.7
73.02948	15.5
73.07070	1.2
75.50924	0.9
79.01868	0.9
80.33156	0.8
81.03448	2.6
83.01375	6.6
85.02952	21.2
87.00883	4.4
89.02444	45.8
95.01398	4.5
97.02940	7.7
97.85129	0.9
99.00845	4.8
99.04494	1.2
101.02441	48.4
106.16094	1.1
111.00887	2.6
113.02438	22.8
119.03507	18.8
125.02441	18.2
131.03506	3.4
141.01944	1.4
143.03493	9.1
149.04561	2.0
159.02979	1.5
161.04570	16.0
179.05634	16.4
198.23383	1.0
201.34323	0.9
206.14188	1.1
213.95125	0.9
221.06642	12.4
232.64853	1.2
233.06628	2.8
245.06625	2.8
246.44341	1.0
258.18604	1.1
263.07645	6.4
323.09824	38.6
324.10068	1.6
362.15219	1.0
392.27133	2.2
407.29642	1.6
446.67953	1.1
469.29520	3.1
631.34644	6.7
759.74847	1.3
775.38275	1.8
793.40118	100.0
794.40735	14.4
838.69891	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	8.9
63.02414	1.2
65.00315	10.6
67.01886	1.1
68.99810	4.2
69.03445	4.0
71.01373	6.4
83.01390	4.7
85.02944	2.5
89.02437	3.4
95.01375	9.7
99.00860	1.1
101.02443	9.8
107.01387	16.3
109.02940	1.5
113.02460	2.3
117.03484	1.2
121.02937	2.6
123.04523	13.6
125.02450	12.5
127.17668	1.0
132.02159	1.3
133.02951	36.6
134.03268	2.0
135.04520	69.5
137.02446	1.9
149.02446	3.9
149.06071	2.1
151.00363	76.5
152.00655	1.4
155.02225	1.6
155.03503	27.4
161.02438	88.8
162.02797	3.0
169.01428	1.1
175.03996	3.5
177.01906	1.1
177.05560	2.7
179.03465	15.2
179.05232	1.0
179.05556	0.9
179.29211	1.0
181.04985	1.5
181.12302	1.0
187.07703	1.5
191.05556	4.3
199.03842	1.3
218.05522	0.9
221.04498	4.1
225.07814	1.0
225.11368	2.5
227.94910	1.0
231.10262	1.2
276.35794	1.1
281.06662	1.7
285.04034	51.3
286.04370	35.2
287.05490	36.5
288.05939	1.5
291.12228	1.3
323.07632	7.0
337.55588	1.1
339.14154	1.0
369.15466	2.6
393.11810	6.2
549.16016	100.0
550.16467	5.9
551.16882	3.4
657.21796	14.9
658.21960	1.3
801.44055	1.4
808.57825	1.0
827.48425	1.2
837.27850	13.6
837.40637	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78232	0.9
59.01384	7.4
65.00323	14.1
66.15524	0.9
66.18681	0.8
67.01883	9.2
68.65208	0.9
68.99812	6.4
69.03470	2.4
70.31469	2.0
71.01373	5.2
78.91896	2.4
83.01392	1.4
83.02774	0.8
85.02935	2.4
89.02441	3.5
91.01894	1.6
93.03454	2.8
95.01354	1.2
97.02962	1.1
101.02450	12.6
107.01382	4.1
107.05017	1.0
109.02941	9.3
113.02459	1.2
119.03548	1.2
121.02955	1.4
125.02507	2.1
127.04015	11.7
133.02945	4.6
134.03729	2.9
135.04530	77.3
136.01675	0.9
136.04919	1.5
143.05026	1.1
145.02956	1.7
147.04495	1.5
149.02443	2.3
151.00375	20.2
151.03947	2.2
153.01886	1.2
153.05597	1.9
159.04527	3.1
161.02419	7.6
163.04060	1.6
173.04553	2.6
175.00453	2.1
177.01921	15.9
177.05482	0.9
179.03430	1.4
185.06004	0.8
187.03981	4.2
187.07681	1.7
191.03992	1.0
191.05623	6.5
193.04991	0.9
201.05519	1.9
203.03532	1.7
204.04124	0.9
213.01965	2.8
213.05519	1.1
218.18864	0.8
227.07072	1.5
231.02950	2.9
239.03604	0.8
245.04465	1.0
257.04617	2.6
257.08209	1.0
259.06207	1.4
268.03748	2.0
273.07397	1.0
283.06055	1.3
287.05579	3.0
301.07254	5.5
327.05179	1.2
345.06140	1.1
359.07629	2.7
373.11456	1.1
393.09805	5.3
411.09854	1.3
431.09717	3.0
437.12344	3.5
463.10440	2.1
481.11420	7.4
495.13354	1.7
513.13965	11.7
539.14117	23.2
643.16492	5.1
675.19269	100.0
676.19757	8.1
837.24219	13.2
838.24481	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	837.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.1
61.98818	1.3
65.00326	13.9
67.01881	8.5
68.99815	7.0
69.03129	0.9
69.03448	5.2
69.42333	1.1
69.42673	4.0
71.01379	6.6
72.99300	0.9
73.02930	1.7
77.15073	0.8
77.25807	0.8
83.01391	1.9
85.02945	3.1
87.00864	1.1
89.02435	3.0
91.01887	2.7
93.03475	5.8
95.05023	2.4
97.02973	1.1
101.02431	13.9
107.01430	4.5
107.05000	1.7
108.02204	1.8
109.02966	5.9
111.04467	1.0
113.02434	2.9
117.03491	1.1
119.05006	1.6
121.02967	2.5
123.04514	1.4
125.02419	3.9
127.03994	12.9
132.26550	0.8
133.02928	8.8
134.03712	4.2
135.04517	92.4
136.01695	1.1
136.04848	1.7
137.02428	1.7
145.02945	0.9
149.02388	2.3
149.06117	1.4
150.03239	2.1
151.00360	20.9
151.03969	2.3
153.05566	2.5
155.03497	1.0
159.04477	3.6
161.02440	16.5
161.04547	1.1
161.06023	1.4
163.03996	2.8
165.05502	1.3
173.04576	4.7
173.05861	1.0
175.03899	1.9
177.01929	17.5
177.05539	1.5
179.03484	4.0
183.04532	1.3
185.06041	1.2
187.03995	4.0
189.05559	1.3
191.03456	0.8
191.05554	6.6
193.04993	1.3
201.05589	2.2
203.03458	2.5
203.07124	1.0
205.01399	1.8
205.05051	1.2
213.01891	4.7
213.05536	1.2
215.07016	1.2
217.05031	1.0
221.04446	1.1
229.01559	1.1
231.02930	3.0
231.06639	1.3
243.06738	1.0
245.04507	2.2
255.06570	1.7
257.04404	2.6
259.06067	1.3
269.04416	1.3
271.09866	1.0
275.09198	1.6
277.07193	1.9
283.06165	1.7
284.03238	1.6
285.03973	3.5
287.05566	5.6
289.03378	1.2
299.05597	1.3
301.07275	5.8
313.07220	1.6
315.08411	1.5
319.08127	1.0
323.07654	2.5
327.04977	1.3
341.06738	1.2
345.06033	3.7
353.08725	1.1
359.07599	3.7
393.09515	3.5
437.12204	3.5
446.61032	1.1
447.09128	3.2
463.10083	1.7
481.11377	7.8
513.13947	9.8
519.14844	2.8
539.14032	29.6
572.09113	1.1
611.17157	1.2
623.16925	1.1
643.16614	4.9
657.18469	5.4
675.19244	100.0
676.19458	4.0
807.24658	1.9
837.24683	11.1
837.36572	2.7
838.25970	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	837.246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.5
65.00321	10.8
67.01881	1.6
68.99812	8.7
69.03445	0.8
71.01382	3.2
77.43584	0.7
83.01381	1.3
84.27123	0.6
85.02940	1.6
88.98802	1.8
89.02449	2.6
91.01906	1.7
93.03461	1.7
99.00910	0.6
101.02448	8.4
107.01383	4.9
107.05019	1.3
109.02937	4.4
113.02457	0.8
117.03439	1.7
119.01359	0.7
119.05047	0.6
121.02960	1.8
123.04488	0.8
125.02433	2.2
126.21217	0.6
127.04083	0.9
131.01414	1.2
131.05029	1.2
133.02968	3.9
134.03755	3.1
135.04523	100.0
136.04842	1.2
137.02426	1.7
141.03476	1.0
143.05000	1.2
145.02953	2.4
147.04416	0.7
148.01659	1.0
149.02455	1.0
149.99561	1.0
151.00357	20.8
151.03986	1.4
153.05600	0.7
159.04521	7.3
161.02452	8.5
163.00369	7.5
163.03990	6.1
165.82739	0.6
169.02902	1.6
171.04443	0.9
173.04523	0.7
173.06100	0.8
174.03094	0.7
175.00365	3.1
175.04008	2.1
176.01158	2.7
177.01971	7.2
177.05521	1.6
178.99857	4.4
179.03468	1.1
185.02470	4.4
187.03951	3.5
189.01973	3.1
190.02617	0.8
191.05634	1.8
193.01384	0.7
193.05054	2.2
195.06631	1.7
197.05991	1.0
199.04053	1.3
201.02019	0.8
201.05592	4.7
202.99895	1.1
203.03471	6.8
203.07361	0.7
211.04033	1.0
213.01924	10.9
213.05428	1.4
215.07266	0.8
217.05038	1.2
219.03015	1.7
219.06566	1.4
221.04596	1.9
227.03435	0.8
229.01385	2.1
231.02963	3.4
231.06546	1.4
237.05453	1.1
239.03546	1.2
239.07100	1.8
241.05106	1.5
245.04550	11.5
255.02937	0.7
255.06653	1.2
257.00867	4.0
257.04605	1.6
257.08109	0.7
259.05939	1.4
263.05771	0.8
265.05017	4.1
269.04587	1.0
271.06110	1.2
281.04462	1.4
283.06140	2.6
287.05591	26.7
287.08813	1.4
288.06024	1.2
289.03506	7.3
297.07660	1.0
299.05606	2.2
308.68881	0.6
309.04044	3.3
313.03659	0.9
313.07275	1.0
315.05139	3.5
315.08459	0.9
323.05591	1.0
341.06744	4.1
349.07059	1.2
381.10004	1.1
383.03915	0.6
393.09930	2.3
419.11011	1.1
425.08707	12.7
426.09253	0.8
445.09473	1.1
449.11011	1.0
463.10822	1.1
477.11398	3.6
479.21371	1.4
521.12921	5.8
546.13416	0.7
555.15942	0.9
587.13910	1.1
625.15753	1.0
643.16656	8.0
657.18243	59.0
658.18604	6.1
675.19208	37.9
676.19580	3.2
762.02350	0.7
819.24261	1.3
837.25220	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	837.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87969	1.3
59.01377	19.9
65.00328	8.7
66.53125	1.4
67.01891	1.9
68.99821	7.6
69.41639	1.7
69.41994	6.5
71.01384	22.1
73.01998	1.7
73.02344	2.7
73.02586	2.0
73.02949	14.7
83.01389	5.6
85.02955	12.7
87.00893	1.9
89.02433	7.8
95.01382	2.8
99.00890	3.7
101.02448	30.9
107.01394	4.9
108.02165	1.8
109.02961	5.3
113.02422	7.1
119.03497	1.7
121.02956	1.7
125.02440	4.5
127.04009	2.5
131.03488	2.8
132.02309	1.4
133.02960	4.2
134.03699	3.9
135.04527	100.0
136.04797	2.0
137.02454	2.7
141.03484	2.1
145.02960	2.7
147.44817	1.4
150.03214	1.9
151.00351	19.9
151.03999	1.7
159.04503	6.4
161.02458	10.4
161.04547	3.4
163.00398	5.8
163.04004	4.4
173.04501	1.5
175.00340	3.6
175.04036	2.6
176.01187	1.8
177.01944	6.5
178.99881	4.5
179.03423	1.8
185.02443	3.5
187.04001	3.6
189.01862	2.0
191.05574	5.4
201.01909	1.9
201.05585	4.8
203.03532	6.8
213.01930	10.8
213.05458	2.1
217.04918	2.1
221.04498	1.8
231.02931	2.7
241.04820	1.7
245.04543	11.9
257.00967	6.3
257.08243	1.7
265.05103	3.5
276.07800	1.5
283.06155	1.9
284.03061	2.0
287.05600	24.6
289.03604	7.7
301.07172	8.0
303.18066	3.6
309.04001	3.7
312.06305	1.8
313.03650	2.8
315.05035	3.4
323.05417	1.8
341.06680	5.1
347.16812	2.5
393.09802	2.5
396.47653	1.6
401.15121	2.0
425.08688	9.2
477.10550	1.9
479.21335	70.6
510.96753	1.5
521.13141	2.8
555.15479	1.6
643.17108	8.8
657.18256	56.3
658.18646	4.6
675.19226	27.6
837.34808	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.8
61.98839	4.3
65.00321	8.9
67.01887	2.0
68.99823	9.6
69.03467	1.1
71.01376	8.0
83.01403	2.1
85.02966	3.7
87.00880	1.0
88.98810	1.4
89.02440	6.2
91.01916	1.4
93.03485	5.0
95.01432	1.5
96.96011	1.6
97.02979	1.2
99.00911	1.1
101.02448	10.3
107.01404	4.8
108.02210	1.0
109.02943	4.3
111.00853	1.1
113.02451	3.0
116.92879	1.0
117.03501	0.9
119.03474	1.6
119.05013	0.9
121.02985	2.1
123.00880	1.0
123.04481	1.0
125.02459	2.9
127.04031	1.8
133.02953	4.9
134.03778	4.3
135.04523	100.0
136.04813	1.9
137.02423	4.6
141.03450	0.9
142.48071	1.0
145.02975	3.4
148.01627	0.9
149.02467	1.5
150.03226	1.6
151.00366	22.3
151.04008	2.0
155.03491	1.3
158.03773	1.1
159.04514	6.5
161.02434	10.9
161.06073	0.9
162.02921	1.0
163.00394	8.5
163.04008	4.9
164.72697	0.9
169.02953	1.2
173.04507	2.1
173.05984	1.7
175.00336	1.5
175.03983	2.0
176.01161	2.9
177.01949	7.5
177.05602	1.2
178.99837	3.9
179.03448	5.2
183.04622	1.0
185.02402	3.9
187.04037	2.9
187.07693	1.1
189.01950	2.5
191.05647	12.3
193.05113	2.5
195.06621	1.3
197.06123	2.6
201.01843	1.2
201.05617	4.4
203.03470	6.3
211.03966	1.2
213.01944	10.5
213.05463	1.4
217.05070	2.0
219.02913	1.5
219.06506	1.3
221.04578	2.4
229.01437	1.2
229.08817	0.9
231.02989	2.8
239.03467	1.0
239.07133	1.6
241.05264	2.0
245.04559	10.6
255.02936	1.0
255.06685	1.2
257.00967	4.5
257.04718	0.9
257.08243	2.1
259.06158	1.0
263.05621	0.9
265.05042	3.0
269.04413	1.0
279.03119	1.0
283.06244	1.9
285.01141	0.8
285.03928	4.4
287.05573	22.9
289.03589	7.7
299.05472	2.2
299.64056	0.8
309.04028	2.4
313.03235	1.3
313.06805	1.0
315.05225	4.2
315.08456	0.9
323.05530	1.9
329.30951	0.9
341.06659	3.0
393.10022	1.6
405.98810	0.8
419.11450	1.3
425.08768	11.7
445.09570	1.5
477.11768	3.1
495.13394	0.9
521.13336	4.9
587.14685	1.7
643.16803	7.2
657.18225	52.5
658.18561	2.5
675.19171	32.8
676.19611	2.0
740.20813	1.2
799.43555	1.4
801.44885	4.8
837.25989	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	837.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87969	1.3
59.01377	19.9
65.00328	8.7
66.53125	1.4
67.01891	1.9
68.99821	7.6
69.41639	1.7
69.41994	6.5
71.01384	22.1
73.01998	1.7
73.02344	2.7
73.02586	2.0
73.02949	14.7
83.01389	5.6
85.02955	12.7
87.00893	1.9
89.02433	7.8
95.01382	2.8
99.00890	3.7
101.02448	30.9
107.01394	4.9
108.02165	1.8
109.02961	5.3
113.02422	7.1
119.03497	1.7
121.02956	1.7
125.02440	4.5
127.04009	2.5
131.03488	2.8
132.02309	1.4
133.02960	4.2
134.03699	3.9
135.04527	100.0
136.04797	2.0
137.02454	2.7
141.03484	2.1
145.02960	2.7
147.44817	1.4
150.03214	1.9
151.00351	19.9
151.03999	1.7
159.04503	6.4
161.02458	10.4
161.04547	3.4
163.00398	5.8
163.04004	4.4
173.04501	1.5
175.00340	3.6
175.04036	2.6
176.01187	1.8
177.01944	6.5
178.99881	4.5
179.03423	1.8
185.02443	3.5
187.04001	3.6
189.01862	2.0
191.05574	5.4
201.01909	1.9
201.05585	4.8
203.03532	6.8
213.01930	10.8
213.05458	2.1
217.04918	2.1
221.04498	1.8
231.02931	2.7
241.04820	1.7
245.04543	11.9
257.00967	6.3
257.08243	1.7
265.05103	3.5
276.07800	1.5
283.06155	1.9
284.03061	2.0
287.05600	24.6
289.03604	7.7
301.07172	8.0
303.18066	3.6
309.04001	3.7
312.06305	1.8
313.03650	2.8
315.05035	3.4
323.05417	1.8
341.06680	5.1
347.16812	2.5
393.09802	2.5
396.47653	1.6
401.15121	2.0
425.08688	9.2
477.10550	1.9
479.21335	70.6
510.96753	1.5
521.13141	2.8
555.15479	1.6
643.17108	8.8
657.18256	56.3
658.18646	4.6
675.19226	27.6
837.34808	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	24.6
69.03458	2.1
71.01382	26.5
71.97595	0.6
72.99297	1.0
73.02948	16.6
75.00897	0.7
81.03476	1.2
83.01381	6.1
85.02950	14.6
87.00900	2.1
89.02441	7.8
95.01373	0.9
95.30019	0.6
97.02964	1.9
98.22581	1.6
99.00891	4.9
99.04483	0.7
101.02444	28.8
111.00907	1.2
113.02460	10.7
115.04031	1.6
125.02491	1.5
128.07533	0.7
129.01987	1.1
131.03526	1.5
135.04550	6.4
143.03477	0.8
151.00380	1.2
159.02972	1.7
159.04266	0.6
161.04546	4.6
163.00505	0.6
185.11739	0.8
186.81377	0.7
233.06613	0.8
245.04538	0.7
254.17029	0.6
255.18359	0.7
287.05695	1.2
301.07205	1.0
303.18079	4.9
347.17218	4.1
413.18118	0.7
435.22754	0.8
479.21347	100.0
480.21780	8.4
657.18195	2.2
675.19153	0.9
837.33990	39.4
838.34589	5.6
848.65106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01109	0.7
59.01379	15.4
65.50746	0.5
68.99839	0.5
69.03465	2.6
69.16862	2.6
71.01014	1.3
71.01379	21.8
72.99301	8.2
73.02944	11.3
75.00912	0.7
77.31284	0.4
78.13166	0.4
81.03510	0.6
83.01385	5.0
84.02225	0.6
85.02948	15.7
86.00145	0.9
87.00885	2.6
89.02435	5.8
93.03455	2.2
95.01395	2.4
97.02943	2.2
98.21884	1.2
99.00893	5.3
101.02441	21.7
102.09768	0.5
106.49976	0.4
108.02238	0.5
111.00903	0.7
112.01713	0.5
113.02449	13.7
115.04100	1.3
119.03591	0.5
121.03045	1.7
122.03732	5.4
123.04584	1.4
124.01707	0.5
125.02445	4.2
129.01959	0.7
131.03566	1.3
133.03033	0.6
135.04614	0.9
136.01692	0.4
143.03586	1.7
149.02524	0.7
150.03218	32.3
151.03746	0.6
159.03081	1.1
161.02544	0.8
161.04541	5.8
165.05560	36.6
166.05965	0.8
173.04630	0.6
180.04451	0.5
185.11888	0.9
191.05576	3.6
211.13461	0.6
213.07664	3.6
233.06700	0.7
241.05077	0.6
303.18134	4.1
329.16092	1.3
347.17059	6.2
389.18118	0.5
435.22302	0.7
449.14777	1.0
461.20276	96.7
462.20639	5.8
479.21310	100.0
480.21509	6.3
503.21332	1.3
521.15222	0.8
521.22388	8.3
545.22302	3.8
563.23474	0.8
575.23413	1.2
605.25128	0.5
623.25494	10.7
624.25671	1.0
657.27087	0.5
745.15070	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
65.00322	4.2
67.01890	1.2
68.99811	1.6
69.03442	0.5
71.01387	0.9
82.02986	1.4
83.01387	1.1
89.02447	0.7
93.03448	0.9
101.02460	3.1
106.06631	2.4
107.01402	3.5
107.05030	0.5
109.02945	0.8
111.04498	0.5
125.02435	0.7
127.04040	1.2
132.04553	9.0
133.05363	7.0
134.03792	0.5
134.06134	11.1
135.04532	20.4
136.01663	0.7
136.03979	0.6
136.04890	0.5
137.02440	0.4
144.58679	0.4
150.99158	0.9
151.00375	17.5
151.04041	1.0
152.00732	0.6
159.04538	0.6
160.04057	8.4
161.02596	0.9
161.04837	27.5
162.05623	34.7
163.05939	0.9
165.05559	0.6
173.04581	0.6
175.00378	0.9
176.03548	0.8
177.01871	1.9
191.05576	2.1
193.03804	10.8
212.07175	1.8
213.08008	0.8
214.08734	1.3
241.06255	2.0
242.11829	1.6
243.11465	1.4
255.02904	0.6
257.09277	4.0
261.25992	0.4
268.09882	1.4
269.09259	2.4
284.03201	0.6
285.03964	1.1
285.12460	29.1
286.12665	1.9
287.05615	20.5
288.05984	1.2
311.10428	4.1
329.11426	100.0
330.11761	5.9
331.11664	1.0
433.07480	0.4
447.09103	1.2
449.10727	0.8
449.19049	0.7
539.14160	5.3
540.14612	0.9
675.19135	10.9
676.19574	1.5
837.24677	1.8
838.23999	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	62.4
61.98798	0.9
69.03430	3.1
71.01381	52.0
72.99303	1.8
73.02944	21.7
75.00868	2.5
79.01927	0.7
81.03450	1.1
83.01387	3.7
83.20211	0.7
85.02948	12.8
87.00896	3.2
89.02442	49.4
90.02781	0.7
93.03452	1.5
95.01386	2.8
96.95999	2.1
97.02953	4.8
99.00880	30.0
99.04488	1.0
101.02441	28.3
109.02941	1.3
111.00896	1.6
113.02450	12.3
115.04008	2.3
119.03502	4.1
122.99194	0.7
123.00883	0.9
125.02464	6.2
129.01939	1.3
131.03511	5.3
133.02942	2.6
134.03679	0.7
135.04523	3.7
137.02444	0.9
141.50604	0.6
142.51884	0.6
143.03519	1.3
145.75108	0.7
149.04564	5.1
150.03261	1.3
151.00391	0.8
155.03458	0.7
161.02448	5.1
161.04550	4.5
165.05527	1.1
173.04530	1.4
177.05577	1.0
179.03502	2.2
181.05066	1.3
191.05618	9.7
195.06589	1.2
220.03700	0.7
233.06677	2.4
255.19608	0.8
285.03961	1.8
296.63434	0.7
313.02509	0.7
358.29034	0.8
447.09290	1.1
549.28925	1.0
711.34491	3.6
843.38715	100.0
844.39172	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	845.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.97532	84.5
60.97863	2.0
65.03936	1.4
67.01892	2.3
68.99823	23.0
69.03465	11.7
69.21823	6.8
69.22245	2.6
71.01385	54.5
72.99303	2.2
73.01170	3.6
73.02942	3.4
81.03484	1.7
82.58093	1.3
83.01391	3.3
85.02949	14.8
87.00871	11.2
89.02441	48.1
92.66542	1.4
93.03473	7.2
95.01392	5.6
95.05029	2.4
96.96014	2.0
97.01173	1.9
97.02950	2.4
99.00869	1.8
101.00661	10.7
101.02449	63.7
107.05052	2.6
108.00414	1.7
108.02190	1.4
113.02441	17.9
117.03430	1.4
119.03512	17.3
119.05032	2.2
121.02963	5.6
123.02785	2.0
123.04510	4.6
123.99888	3.3
125.00703	7.1
125.02449	2.1
127.04028	2.5
127.05017	1.5
131.03525	1.7
133.02957	14.0
134.03781	2.6
135.04520	15.6
135.99878	5.2
137.02505	2.1
143.03453	2.5
147.04509	2.1
149.02429	7.1
149.04471	1.6
149.06064	8.1
151.04024	5.0
153.00177	13.6
153.05568	2.8
161.02444	40.2
161.04539	3.5
161.06024	2.6
163.02222	2.7
163.04008	1.6
165.03795	12.2
167.01715	38.0
167.07100	1.4
171.04518	1.6
173.04567	3.4
175.02332	1.7
175.03941	2.0
177.03746	1.9
179.01894	2.1
179.03474	11.9
179.05588	10.6
181.05066	2.9
184.02072	3.4
189.05466	1.7
191.05585	4.7
193.05042	7.5
195.06599	1.9
197.04562	1.7
205.03351	4.2
209.02805	4.7
221.04558	1.9
221.08209	4.1
233.02682	1.7
237.06001	9.3
265.05423	2.3
268.03571	3.2
280.06522	1.4
283.06384	4.9
312.19562	1.5
323.07617	4.4
355.10385	4.6
373.11148	2.4
385.09540	2.1
417.12256	31.4
431.09650	5.4
445.11743	15.5
457.13345	4.9
489.10489	4.7
525.16241	2.1
541.13910	9.2
569.13568	2.6
593.17108	2.5
613.12164	3.0
677.16760	1.8
769.17261	1.8
773.23212	5.7
801.23083	3.1
845.20398	49.0
846.22394	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	845.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.0
61.70671	0.3
61.98833	1.1
67.01886	1.6
69.03469	0.6
71.01387	4.7
71.84463	0.3
73.02947	1.9
81.03461	0.6
82.95467	0.3
83.01399	1.1
83.05024	0.8
85.02956	2.5
87.00891	0.7
88.98788	0.4
89.02440	1.0
90.63954	0.3
92.39021	0.3
93.03464	12.5
94.92529	0.3
96.96016	1.1
97.90569	0.3
99.00913	0.6
101.02446	4.7
105.03461	0.5
109.01904	0.4
109.02918	0.6
111.00937	0.8
111.04546	2.3
113.02452	2.0
116.92889	0.7
117.03452	0.8
121.84878	0.3
123.04560	0.5
132.02167	0.8
133.02962	21.3
135.04509	5.4
137.02473	3.4
149.02448	0.3
149.06070	0.4
150.03246	0.6
151.00446	0.4
155.03525	3.5
155.10764	0.4
161.02454	100.0
162.02805	2.6
165.05573	1.0
173.04559	19.4
174.04889	0.4
177.01942	9.5
177.05508	0.5
179.03514	2.4
185.11838	0.6
189.05495	0.4
191.05647	2.4
195.06644	0.6
197.47903	0.3
221.04552	0.6
224.16794	0.3
269.04715	0.6
285.03943	1.4
347.17114	16.0
348.17496	1.0
371.14664	0.4
473.12311	0.4
491.19534	1.2
509.20276	15.0
510.20673	1.2
515.18811	0.7
521.21869	1.6
683.25549	72.6
684.25891	8.1
845.27051	1.9
845.43262	2.2
846.29700	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	20.4
60.14403	0.3
60.97532	2.8
66.03477	0.5
68.99818	1.0
69.03460	3.1
69.18563	1.7
71.01382	12.9
72.99300	0.9
73.02955	0.5
74.99097	0.8
83.01366	0.5
84.97544	0.4
85.02956	2.5
87.00874	0.7
89.02445	11.7
91.05549	0.5
93.03439	0.3
94.02995	1.1
95.01398	1.1
97.02961	1.0
98.00688	0.3
101.02453	5.8
102.98631	0.4
103.05539	1.1
112.04048	1.7
113.02449	4.4
116.05042	0.3
119.03512	4.5
119.04946	0.4
120.04562	0.6
121.02926	0.5
122.02491	4.3
128.05090	0.3
130.06648	0.4
131.03549	0.6
133.06648	0.4
135.02768	0.7
135.04512	0.9
138.01962	0.8
142.06648	0.5
143.03508	0.7
143.05051	0.3
144.04539	1.2
145.02983	0.4
146.06110	2.2
147.03458	0.3
147.04515	1.3
153.99681	1.0
157.05347	0.5
160.03995	0.3
161.00682	0.7
161.04584	0.8
162.01447	0.3
162.03761	0.6
162.05598	0.7
163.02245	1.8
163.04010	0.4
164.03523	0.9
170.06123	1.7
172.04053	1.8
172.07695	2.1
173.04691	0.6
174.05579	0.7
175.02687	0.4
176.07167	0.3
179.03430	0.5
179.05591	1.4
180.01254	20.1
183.03232	0.5
184.04134	0.5
184.07626	0.7
186.05602	1.3
188.07149	2.5
189.00211	0.4
190.01038	0.4
190.03337	1.4
190.05116	2.2
192.06694	0.8
193.04947	0.6
198.02339	1.1
198.05626	3.0
199.06355	0.7
200.07236	0.5
201.04401	0.6
204.04878	1.3
205.03294	1.0
206.02547	0.4
212.07196	0.8
216.06651	8.4
217.01997	0.3
222.02550	0.3
230.02850	0.3
232.04359	20.9
233.04718	0.7
242.01231	0.8
250.05434	1.4
258.07666	1.3
268.06631	0.6
277.72964	0.3
294.04514	0.7
312.05466	2.2
373.11417	1.1
412.10657	1.5
430.11847	1.9
474.10742	100.0
475.10974	5.2
487.43143	0.3
656.01019	0.4
847.82825	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	14.2
60.99301	2.6
61.98820	2.2
68.99807	2.1
70.09883	3.8
71.01379	10.6
72.99298	1.6
73.02955	2.0
82.32420	1.2
85.02935	6.3
87.00865	3.4
88.98814	11.6
89.01976	1.2
89.02435	6.4
91.42487	1.3
93.03457	4.6
94.60691	1.2
95.01420	2.0
96.95992	2.8
99.00890	1.7
101.02455	7.9
103.01487	2.3
109.02950	1.2
111.15237	1.2
113.02439	3.7
115.00388	2.2
116.92884	1.5
122.03738	1.4
123.04562	1.9
127.03989	2.2
133.02966	9.3
134.03662	1.3
135.03613	1.4
135.04517	9.2
135.08136	2.9
137.02415	3.1
137.05962	1.2
149.02415	2.6
149.06035	2.9
149.89056	1.2
150.03246	4.3
150.05617	2.7
150.06859	42.9
151.04089	1.4
151.07222	1.4
153.05576	1.8
161.02440	20.9
162.02812	3.1
162.06911	6.4
163.07649	18.7
164.08409	4.6
165.05600	6.1
168.10017	1.2
175.02525	1.9
175.03990	1.3
176.08409	1.5
177.01932	12.5
177.09225	4.2
178.10068	1.8
179.03502	4.3
179.10751	16.7
191.05643	9.3
195.06680	2.7
214.04858	1.9
275.09552	1.9
281.06799	1.2
284.03201	3.4
285.04001	5.4
299.05664	4.3
300.05902	1.4
301.20175	1.7
315.21780	2.5
343.24863	2.6
345.22827	2.5
368.46082	1.4
421.29395	1.4
422.57819	1.5
434.30365	2.9
447.09567	1.4
449.32666	2.4
451.87909	1.7
461.20633	4.3
462.21100	1.5
462.33588	1.9
464.31573	2.8
477.32178	2.0
478.33078	8.9
479.33829	14.0
480.33905	1.9
491.18948	1.9
493.14706	2.0
494.32446	2.0
495.33231	8.3
523.32758	3.0
524.33319	6.5
525.34302	13.5
639.24274	1.7
687.25464	4.7
687.39655	6.2
849.30817	5.2
849.45001	100.0
850.29474	2.6
850.44946	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	851.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	19.4
59.31704	1.1
59.83031	1.1
60.43686	1.2
63.29846	1.2
65.00321	3.2
67.01888	14.0
68.99818	17.0
69.03454	2.3
70.77911	1.3
71.01379	11.3
71.70901	1.0
72.85476	1.1
73.73042	1.1
83.01386	3.6
85.02936	3.6
89.02443	7.4
89.53609	1.3
90.96994	1.1
91.01948	1.4
93.03471	7.5
95.01379	2.3
101.02449	20.2
107.05080	1.3
108.02187	1.8
109.02984	2.2
113.02435	3.8
117.03464	2.0
119.03545	1.4
121.02932	4.8
125.02428	4.2
127.04021	19.3
132.54288	1.2
133.02924	3.6
134.03740	12.4
135.04527	23.5
136.01704	1.1
137.02429	3.3
139.04044	1.2
141.03444	1.3
145.02910	3.4
149.06065	3.1
151.00414	5.8
151.04028	1.9
153.05574	2.0
155.03523	2.3
158.03697	3.9
159.04570	1.8
161.02463	9.6
162.03178	1.6
163.00323	3.6
163.04019	5.8
164.01151	3.7
171.04474	1.3
172.05302	1.7
173.02313	1.2
173.04549	7.4
173.06003	3.0
174.03163	4.5
175.00356	2.4
175.03955	3.1
177.01942	4.7
177.05600	1.6
178.99854	3.6
179.03426	1.7
181.05086	1.7
185.02435	2.7
187.04007	3.2
189.01848	4.0
190.02716	2.8
191.05652	8.2
192.00636	3.8
193.05054	2.5
195.06720	1.8
197.06102	1.9
199.03928	5.4
200.04793	8.2
201.02010	5.6
202.02707	12.0
203.03476	2.0
205.76959	1.7
213.01930	1.4
213.05563	2.1
215.03496	3.9
215.07130	4.5
217.05058	11.4
221.04517	3.9
227.03526	3.4
237.05568	2.1
239.07109	1.6
241.05011	4.5
242.05766	3.0
243.02950	2.2
244.03551	2.7
245.04590	2.6
254.05898	1.5
255.03003	1.7
256.07367	1.6
257.04379	1.5
257.08337	1.6
258.05447	2.0
267.06604	3.5
269.04752	2.6
277.04886	1.6
278.05795	1.9
279.06451	1.7
283.06195	3.7
285.03992	3.3
287.05508	2.3
301.07101	14.0
308.06653	1.4
313.07053	8.9
319.06271	1.7
325.07166	5.1
326.07681	2.1
327.08676	9.5
329.06628	11.2
335.09439	1.6
347.17078	5.2
362.07877	2.7
363.08707	4.7
371.09271	1.3
371.14746	2.3
377.10220	2.4
377.72772	1.5
379.07993	2.0
381.09579	2.5
393.09875	2.1
395.11230	9.2
400.09665	1.5
407.06799	2.1
407.11969	7.7
415.11588	2.2
425.08640	1.4
433.12885	8.0
439.10291	25.1
444.42944	1.4
451.13904	1.9
459.10678	4.7
463.12521	5.8
477.11734	3.4
491.13666	6.5
509.14352	1.8
595.18243	1.7
601.15436	1.6
613.19519	3.7
639.16840	2.6
657.18365	23.5
671.19830	100.0
672.20447	5.0
677.33215	2.2
689.20886	55.1
690.21539	2.5
833.25208	5.5
851.39142	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	851.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01122	0.7
59.01382	8.6
59.80379	0.8
61.98811	1.5
65.00312	3.2
67.01884	6.4
68.99815	8.4
69.03446	1.8
71.01379	7.5
82.03220	0.7
83.01369	1.6
85.02945	1.8
87.00861	1.0
88.98801	1.1
89.02438	3.4
91.01855	0.7
93.03457	2.7
95.01374	1.8
96.96021	7.4
99.00913	1.2
101.02444	11.8
103.01489	0.9
107.01347	0.9
108.02171	0.9
109.02942	2.4
111.00903	0.9
113.02426	1.8
117.03456	0.7
119.05048	1.1
121.02950	2.9
123.04499	2.1
125.02457	3.9
127.04014	9.8
133.02980	5.3
134.03754	6.3
135.04527	36.8
136.01649	1.2
137.02423	2.1
145.02991	1.3
147.04488	1.4
149.02446	4.3
149.06107	2.3
150.03267	1.5
151.00342	4.4
151.04012	1.6
155.03526	2.6
158.03741	1.4
158.48679	0.7
159.04491	2.7
160.01610	1.1
161.02463	9.3
163.00406	3.5
163.03981	2.8
164.01175	3.7
169.02838	0.7
173.04501	1.8
173.05971	1.3
174.03168	1.8
175.03983	2.1
176.01225	1.1
177.01976	4.5
179.03482	3.4
185.02419	1.3
187.03958	2.3
189.01881	1.5
189.05557	0.8
190.02705	1.2
191.05634	3.9
191.07133	0.7
193.05029	2.0
195.06644	1.3
197.06009	1.1
198.03198	1.1
199.03935	2.7
200.04704	2.4
201.01918	2.7
201.05504	1.5
202.02666	1.8
203.03490	3.1
210.30122	0.8
213.01984	5.5
213.05553	2.1
215.03488	1.4
215.07065	2.3
216.04254	1.1
217.05077	3.0
219.02838	0.8
221.04507	1.3
226.02579	0.9
227.03517	1.8
227.69687	0.9
229.01314	1.1
231.02985	1.3
233.08339	0.9
241.05037	2.0
242.05768	2.0
245.04533	3.6
255.03185	1.0
255.06613	1.2
257.00897	1.4
257.04535	0.8
257.08243	1.0
259.06146	1.0
269.04486	3.3
270.09021	0.8
283.06030	1.8
285.03940	3.3
286.04642	2.0
289.03387	1.2
299.05652	1.1
301.07153	14.1
302.07495	0.9
309.04218	0.9
321.08072	0.8
327.08817	7.8
329.06671	1.4
341.06613	1.5
345.15439	0.8
348.06058	1.0
351.08441	0.9
363.08627	4.6
377.92291	0.9
381.09747	3.7
407.11398	10.4
424.01639	0.9
425.08826	2.9
433.13074	1.8
451.14197	5.3
459.11346	0.7
477.11774	2.1
495.12961	2.4
509.14523	2.4
521.12878	2.3
527.15686	5.0
563.13794	1.4
657.18262	29.1
658.18634	2.2
671.19592	8.0
672.19916	1.2
689.20862	100.0
690.21417	9.3
833.26404	1.1
847.82892	0.8
851.26208	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	851.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	26.2
65.03952	2.8
67.73936	0.8
67.85155	0.8
68.99825	1.5
69.03429	1.2
69.17327	0.9
69.17650	5.4
70.28809	0.8
71.01010	1.6
71.01380	24.8
72.99294	0.8
73.02942	13.8
81.72321	0.8
83.01382	10.3
85.02948	17.2
86.00087	2.8
87.00896	1.8
89.02434	3.2
93.03458	92.3
94.03789	1.1
95.01369	2.9
97.02972	1.2
99.00887	4.6
101.02443	36.5
103.02345	0.9
109.02943	1.2
111.00867	2.3
111.04493	1.1
113.02454	9.6
125.02459	1.4
126.02765	1.0
127.04015	0.9
133.02971	0.9
135.04541	4.9
137.02444	100.0
138.02817	1.9
155.03517	13.6
159.04497	0.8
161.02460	2.6
161.04596	2.4
173.04503	2.5
179.03513	1.1
185.11778	3.3
191.05591	1.5
207.32304	1.1
213.05602	1.4
241.05035	9.3
249.25082	1.1
256.07364	6.4
271.09772	15.9
272.10016	1.3
301.10822	1.4
303.18231	1.4
347.17108	88.6
348.17404	4.4
409.11206	1.2
466.34625	1.0
503.21405	3.6
580.11664	0.9
657.18365	4.5
658.19263	1.5
689.20001	1.0
779.78857	1.1
851.39197	97.3
852.39532	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	851.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	25.6
65.03954	2.3
66.94533	0.9
68.99783	1.3
69.03481	1.6
69.36295	4.7
70.25108	0.9
71.01382	24.0
72.99327	1.1
73.02946	13.2
83.01375	9.0
85.02953	17.8
86.00095	3.4
87.00855	2.3
89.02457	3.3
93.03461	92.2
95.01389	3.2
97.02936	1.4
99.00870	4.2
101.02447	34.5
109.02967	1.2
111.00876	1.7
111.04517	1.2
113.02451	10.6
123.04554	1.5
125.02402	1.3
127.04005	1.7
133.02975	1.2
135.04509	3.9
137.02449	96.4
138.02733	1.6
151.00336	1.1
155.03517	13.2
161.02472	2.1
161.04558	2.2
173.04488	0.9
179.03494	1.4
185.11850	3.5
191.05539	2.2
213.05589	1.5
241.05072	9.1
256.07382	6.9
266.10300	1.1
271.09735	14.5
301.10977	1.7
312.54114	1.0
329.16025	1.3
347.17102	83.6
348.17410	3.2
349.41962	0.9
493.93826	1.1
503.21310	4.0
507.00226	1.0
657.18713	1.9
733.99683	1.0
851.39185	100.0
852.40076	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	853.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	0.9
67.65492	0.7
68.79073	0.7
68.99823	12.0
69.02766	2.2
69.03458	5.5
71.01382	45.9
72.99284	1.7
73.02947	12.1
75.00868	0.9
81.03477	0.7
83.01380	3.4
85.02948	17.4
85.13628	0.8
87.00881	5.1
87.04514	1.6
88.98834	0.8
89.02447	24.0
89.22594	0.9
89.47561	0.9
91.01899	2.0
93.03448	7.5
95.01383	3.4
96.96037	1.5
97.02961	1.5
99.00889	2.3
100.44614	0.7
101.02448	33.1
103.04015	1.2
107.05036	6.0
113.02449	19.2
115.04011	3.3
119.03515	9.7
120.02219	1.0
121.02956	11.7
121.06595	1.6
123.04521	1.9
125.02431	2.4
130.04214	0.9
131.03502	3.3
131.04982	1.0
132.05827	2.7
133.02951	1.7
133.06601	100.0
134.06908	0.9
135.04514	3.5
143.03535	6.3
145.06577	1.9
147.04535	3.8
149.04543	1.3
151.04036	3.0
153.05600	3.9
155.03444	0.9
159.03052	1.5
161.02510	1.9
161.04565	17.5
161.05937	0.7
163.03960	1.4
163.07637	1.0
165.01936	2.3
171.04564	1.0
173.05997	4.7
175.04031	0.9
179.03508	10.9
179.05531	4.1
179.06941	1.0
187.07640	1.3
189.05511	1.8
191.05577	2.4
191.07199	2.0
195.06604	1.5
199.04041	1.1
200.04866	0.8
205.07146	2.8
205.08739	1.7
207.06810	1.0
217.05066	2.7
217.08687	0.9
221.08240	1.5
231.06590	4.6
235.05995	1.0
249.07742	4.0
269.04590	2.2
285.03998	5.9
286.04315	2.1
295.11844	5.3
301.30557	0.9
353.13815	1.1
365.85397	0.8
371.14661	1.3
417.03244	0.9
429.14035	7.5
441.17664	59.2
442.17783	2.7
447.09409	1.0
472.08878	0.8
589.23065	8.4
621.21918	43.4
622.22113	4.6
641.22260	8.1
655.24084	2.8
659.23621	1.1
673.25116	3.9
691.26324	10.4
821.26215	0.9
853.29224	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	3.9
69.03448	3.0
69.82697	1.0
70.23901	1.1
71.01380	69.4
72.99306	2.3
73.02940	16.5
76.96468	0.9
79.72327	1.0
81.03442	1.2
83.01391	4.9
85.02944	21.1
87.00858	6.1
89.02440	53.1
95.01386	4.7
96.95989	3.4
97.02924	4.6
97.03470	1.1
97.85332	1.0
99.00869	4.5
101.02442	61.3
111.00852	3.4
113.02447	23.7
119.03497	21.3
121.64843	0.9
125.02453	8.5
131.03506	6.1
141.01869	1.7
143.03487	9.7
149.04526	2.1
159.03011	1.4
161.04562	16.8
179.05606	51.7
180.05974	1.2
185.04382	1.2
213.64906	1.1
221.06689	14.5
232.52356	1.1
233.06552	1.9
245.06650	2.3
263.07730	4.5
285.04187	1.3
305.08707	1.3
323.09747	5.5
341.10770	1.9
631.34900	9.2
746.15674	1.1
793.40094	100.0
794.40460	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	853.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	0.9
67.01927	0.6
67.58943	0.6
69.03460	4.8
70.63087	0.6
71.01379	71.0
72.99293	2.3
73.02552	1.1
73.02943	14.7
81.03445	2.0
83.01382	6.6
85.02952	21.8
87.00881	5.1
89.02443	41.9
95.01393	5.4
97.02960	5.3
99.00877	5.0
99.04514	0.9
101.02442	46.0
107.30682	0.6
109.02869	0.6
111.00885	2.7
112.07245	0.6
113.02447	26.2
113.26786	0.7
115.04009	0.8
119.03497	20.6
124.15630	0.7
125.02450	19.4
131.03513	4.8
131.78906	0.6
139.03967	0.8
141.01950	1.0
143.03490	7.4
149.04549	1.1
159.03004	1.8
161.04544	14.8
169.03415	0.7
179.05606	16.0
203.05620	1.3
209.45015	0.6
217.16162	0.8
221.06653	12.3
233.06651	2.5
245.06694	3.1
263.07712	5.4
323.09805	39.3
324.10275	1.2
377.29019	0.7
389.28394	1.1
392.27014	3.6
393.28012	0.8
407.29300	2.7
469.29266	2.5
586.39630	0.8
631.35028	8.4
702.57330	0.8
775.38550	0.9
793.40118	100.0
794.40179	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	853.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	1.6
69.49420	1.6
71.01386	3.1
72.15754	0.4
76.45490	0.5
85.02937	0.6
87.00910	0.7
89.02451	2.5
96.96001	2.0
101.02459	2.3
113.02453	1.4
117.11359	0.4
119.03488	1.4
120.66346	0.4
125.02388	1.1
128.00923	0.5
128.07591	0.4
133.02921	0.6
155.03503	0.5
161.04533	0.8
162.68196	0.5
175.14973	0.5
179.05614	2.4
221.06613	1.0
223.13326	1.8
286.04285	0.5
323.09875	5.2
469.33212	100.0
470.33609	5.5
650.01917	0.6
793.43671	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	855.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
65.76902	0.4
66.98956	0.4
67.01884	1.2
69.03453	26.5
69.55241	1.1
69.55634	0.8
71.01379	19.9
72.99313	0.7
73.02953	0.7
75.96304	0.4
79.01893	0.7
83.01386	0.8
85.02943	3.8
87.00871	1.1
89.02442	18.3
93.03448	5.5
95.01388	1.8
95.04987	0.5
97.02948	34.3
98.21945	0.9
99.84667	0.4
101.02438	8.8
105.03449	2.3
106.04255	0.7
113.02454	7.7
119.03495	7.0
119.04973	0.7
121.02975	1.2
121.06601	1.4
123.04524	7.3
131.03427	0.5
133.03003	0.5
134.03763	0.7
135.04488	0.4
141.01952	1.0
143.03499	1.1
149.02452	0.4
149.04791	0.8
149.06082	11.8
161.02415	0.5
161.04550	0.8
167.07149	4.6
169.39325	0.5
179.05589	2.5
191.05609	0.9
193.05049	23.7
194.05608	0.4
245.96024	0.4
272.04236	0.4
339.05249	0.4
373.11371	100.0
374.11691	4.5
375.11914	0.5
446.98279	0.4
475.11331	0.5
481.22891	2.2
791.41370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77595	0.2
69.03432	0.4
71.01382	6.4
73.02947	50.2
74.03292	0.3
80.79162	0.2
83.01377	1.6
85.02958	2.9
87.00886	0.6
88.53522	0.2
89.02444	2.1
95.01391	0.5
95.05070	0.2
96.47731	0.2
96.96025	0.4
98.22598	0.6
99.00883	0.7
100.24021	0.2
101.02446	7.1
103.33089	0.3
113.02439	3.0
119.03510	0.9
125.02439	0.5
127.03996	0.3
129.01889	0.3
129.09288	0.3
130.78204	0.2
154.74222	0.2
159.02994	0.8
161.04562	2.0
173.11870	0.3
191.05632	1.9
196.64223	0.2
242.48538	0.2
267.38348	0.3
291.14471	2.6
335.17267	0.7
337.09412	0.4
347.17322	1.4
365.18155	100.0
366.18491	3.3
371.13455	0.7
381.91211	0.3
449.41742	0.3
889.79871	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42824	0.2
61.98825	1.0
64.78184	0.3
69.03458	0.5
69.60664	0.4
70.61580	0.3
71.01380	3.5
73.02955	0.7
77.58875	0.3
79.85865	0.2
85.02944	0.9
89.02448	3.3
96.96005	0.5
101.02449	2.5
113.02430	1.3
119.03488	1.6
125.02457	2.3
133.02980	0.5
135.04538	0.4
137.02451	0.3
143.03467	0.8
161.02463	0.5
161.04556	0.9
179.03558	0.3
179.04138	0.3
179.05621	2.5
216.74960	0.3
221.06671	1.5
279.06516	0.3
323.09827	11.7
444.21307	0.3
471.34781	100.0
472.35129	6.5
795.45428	12.3
796.46173	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01719	0.3
61.98827	100.0
70.74823	0.3
71.01385	2.0
72.01706	0.4
73.02946	0.5
81.03444	0.2
85.02954	0.4
89.02437	1.1
95.01346	0.2
97.02940	0.2
101.02435	1.3
101.73785	0.1
102.02792	0.2
110.74931	0.2
110.93568	0.2
112.45383	0.1
113.02433	0.7
114.02798	0.3
119.03507	0.4
125.02460	0.5
161.04556	0.3
163.05063	0.2
179.05568	0.3
234.36975	0.1
265.08557	0.1
323.09863	0.4
324.10379	0.4
325.10373	0.4
401.27539	0.2
794.40289	0.2
795.41443	0.6
796.41046	2.2
796.54407	0.2
856.41608	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01889	0.7
69.03454	1.1
71.01373	2.8
73.02938	1.1
75.41382	0.3
83.01364	0.3
85.02943	7.5
87.00873	2.4
89.02441	1.1
93.03449	6.0
93.04015	0.4
95.01420	0.3
95.05039	0.4
97.02964	0.5
99.04505	0.6
101.02423	2.0
103.44137	0.2
105.03455	0.6
109.02948	1.8
109.59314	0.3
111.04498	1.1
113.02429	1.2
119.03501	0.4
121.88730	0.3
123.04516	0.3
125.02402	0.3
127.04015	2.1
132.02046	0.3
133.02950	10.2
134.03711	1.0
135.04518	19.0
137.02435	1.1
148.05338	0.5
149.06056	3.2
155.03513	0.3
156.11443	0.2
161.02438	28.4
162.02817	0.7
171.02940	0.6
173.04543	3.5
175.03903	0.3
177.01976	1.7
177.05551	5.6
178.02625	0.3
178.05876	0.3
179.03487	24.9
180.03795	0.4
189.05602	0.4
191.05600	100.0
192.05942	2.3
203.03513	1.5
213.07683	0.3
215.03586	0.6
215.05624	2.8
221.04532	9.7
233.04514	0.6
234.93283	0.3
243.14903	0.3
248.53201	0.3
251.05579	6.9
276.83246	0.3
281.06647	12.0
282.07028	0.3
302.20297	0.3
323.07703	1.0
341.08740	16.4
342.08929	0.7
351.07169	5.9
352.07404	0.6
353.08737	14.0
354.09064	0.6
355.04333	0.3
375.12909	1.1
383.09842	8.6
395.09808	0.8
413.10849	7.5
425.10864	0.9
443.11911	16.9
444.12234	0.8
445.13535	0.4
485.13068	0.4
503.14050	13.5
504.14850	0.7
505.15558	4.9
623.34625	0.3
665.17242	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.235
Annotation	Unknow
Peak:m/z	Relative Intensity
62.81120	0.2
67.01859	0.4
69.03451	0.5
71.01368	1.3
71.45051	0.3
73.02940	0.5
77.03977	0.3
78.08581	0.3
80.51020	0.3
83.05013	0.4
85.02948	6.7
87.00875	1.9
89.02431	0.7
93.03449	3.9
95.05051	0.4
99.00874	0.3
99.04512	0.4
101.02426	1.0
105.03500	0.5
107.05032	0.4
109.02956	1.2
111.04508	1.5
111.18890	0.3
113.02469	0.7
127.03996	2.1
133.02013	0.5
133.02950	5.8
134.03693	0.6
135.04524	21.0
136.04843	0.5
137.02512	0.4
149.06076	1.1
151.04054	0.4
153.22893	0.3
155.03493	0.4
161.02438	12.4
162.02788	0.3
171.03000	0.6
173.04552	2.5
177.01923	1.1
177.05603	1.9
179.03490	27.4
180.03793	0.7
191.05605	100.0
192.05937	1.6
203.03482	0.6
215.05521	1.6
221.04552	3.0
251.05577	1.8
281.06625	2.3
323.07681	0.5
341.08749	16.9
351.07123	3.5
352.07458	0.7
353.08740	15.9
354.09204	0.4
375.12833	0.5
383.09866	3.1
403.16696	0.3
413.10901	3.3
443.11862	5.3
485.12714	0.3
503.14069	13.1
504.14545	0.4
505.15701	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	857.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35263	0.8
69.27411	3.9
71.01380	48.3
72.99296	0.9
73.02953	1.8
80.01178	0.7
81.07092	2.2
83.01379	2.1
85.02950	9.5
87.00875	4.1
88.29187	0.7
89.02445	59.1
95.01418	3.9
97.02883	0.7
98.03696	1.3
98.21883	1.5
99.04516	8.2
101.02446	26.1
111.04520	1.2
111.82554	0.7
113.01698	1.4
113.02452	21.7
119.02635	1.3
119.03501	25.2
119.34094	0.7
125.06153	0.8
131.03493	3.1
133.02945	1.3
135.04521	2.5
137.02446	0.7
143.03505	6.8
145.02927	1.1
149.04584	2.5
149.06114	1.1
150.06874	2.3
161.02533	1.6
161.04553	7.4
161.13347	17.4
179.05620	26.1
187.11276	4.1
191.05588	1.9
205.12338	52.1
206.12639	2.0
216.34941	0.9
249.11317	88.3
250.11691	3.2
385.18704	8.4
429.17633	100.0
430.18015	3.9
546.39459	0.9
735.41309	0.8
739.51123	0.9
857.31970	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
61.88243	0.4
67.01863	0.7
69.03476	0.5
69.22320	2.3
71.01378	4.3
73.02943	0.4
77.50967	0.4
85.02962	7.5
87.00875	1.7
89.02448	3.8
93.03456	3.9
99.04559	0.6
101.02451	3.5
109.02931	1.0
111.04520	1.1
113.02436	2.0
117.03487	0.9
118.02670	0.4
119.03490	1.7
123.04492	0.6
127.04025	2.0
132.02184	0.6
133.02960	21.8
134.03423	0.7
135.04527	17.7
136.04796	1.3
143.03468	0.5
149.06052	0.6
161.02449	89.1
162.02780	3.1
171.03027	0.5
173.04546	1.5
177.05522	2.2
178.05875	0.5
179.03510	15.5
180.03830	2.1
181.07198	1.2
191.05617	93.7
192.05916	6.0
193.06013	2.2
215.05585	0.6
218.27065	0.4
221.04556	3.1
251.05612	1.6
252.05875	0.6
281.06705	2.9
282.04044	0.5
341.08878	1.4
342.09164	0.9
343.09225	0.7
351.07233	1.4
353.08771	10.7
354.09070	1.0
355.09256	0.7
383.09882	0.8
384.10150	0.9
385.10577	0.6
413.11032	0.5
443.11911	1.2
444.12387	1.0
445.12576	1.4
503.14294	1.0
504.14410	0.6
505.15634	100.0
506.16006	5.1
829.74335	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	1.1
64.18257	0.3
71.01376	2.9
73.02953	0.8
81.03452	0.3
82.28601	0.3
83.01392	0.6
85.02940	1.6
87.00854	0.3
89.02432	1.0
93.03480	0.4
96.96011	0.6
97.02982	0.6
99.00872	0.5
101.02441	2.3
103.72234	0.3
105.03491	0.5
107.05024	0.5
109.06603	1.9
112.78342	0.4
113.02441	1.1
113.50833	0.3
117.03496	1.9
119.03506	0.5
121.02983	0.3
123.04554	0.8
132.02158	2.0
133.02954	35.8
134.03722	1.6
135.04523	14.4
149.06012	0.3
154.10896	0.3
155.03461	0.6
161.02441	100.0
162.02759	1.8
163.04088	0.5
163.11270	0.9
177.01906	0.6
177.05583	0.8
179.03505	7.1
181.12352	1.0
191.05569	1.8
207.10283	5.3
225.11324	8.6
285.04099	0.7
323.08203	0.4
373.27393	0.5
471.31287	0.4
530.53058	0.4
697.26617	0.5
859.41211	47.4
860.41547	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	861.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	1.0
71.01382	3.9
71.45174	0.4
73.02939	1.1
76.51540	0.4
83.01398	0.5
85.02946	3.1
89.02437	2.3
93.03438	0.5
96.30784	0.4
97.02937	2.2
99.87123	0.3
101.02441	3.8
109.02962	0.5
113.02457	1.6
117.03471	1.1
119.03537	0.8
119.05089	0.9
128.23552	0.4
132.02144	0.9
133.02951	23.1
134.03720	1.6
135.04526	18.4
143.03505	0.4
143.45157	0.4
144.05061	0.4
145.02937	1.4
148.05345	0.6
149.06064	2.5
161.02438	100.0
161.29582	0.4
162.02795	1.8
163.03979	1.1
163.06134	2.8
170.55583	0.4
177.05569	3.7
178.02583	0.5
179.03484	22.0
191.05606	2.4
191.07191	0.8
193.05005	1.9
194.05431	0.5
195.99220	0.4
217.05107	1.1
221.04543	7.3
221.06551	0.3
235.06136	0.6
236.54904	0.4
251.05576	7.1
265.07114	1.1
281.06647	11.3
282.06845	0.5
323.07678	1.4
325.09247	1.1
341.08752	18.4
342.09125	0.5
353.08771	0.6
373.11252	3.9
375.11926	0.6
383.09787	11.3
383.14478	0.8
395.09824	1.0
397.11618	0.7
413.10855	19.5
414.11279	1.0
451.12506	0.7
469.13516	1.4
474.10864	1.4
487.14539	89.2
488.14810	3.8
545.92096	0.4
648.53912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
61.80335	0.2
69.03442	0.5
69.82341	0.7
71.01379	8.0
72.99317	0.3
73.02937	0.4
83.01379	0.6
85.02956	1.4
85.06091	0.4
85.06589	5.2
87.00882	0.6
89.02440	7.5
90.24168	0.2
95.01366	0.3
96.96021	0.4
99.00895	0.3
101.02447	5.5
113.02449	3.5
113.06090	1.5
115.07665	1.0
119.03516	3.8
127.07629	0.8
131.07140	29.1
132.07468	0.4
132.36615	0.2
161.04599	0.4
173.08160	1.0
177.02028	0.3
179.05600	0.5
191.05571	0.4
250.17256	0.2
293.12427	100.0
294.12799	2.3
365.26907	0.2
478.10849	0.2
502.50787	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01723	0.7
67.01883	7.8
68.99814	11.1
69.03457	26.9
71.01382	42.0
71.95209	0.6
72.99304	1.2
73.02943	1.9
83.01380	1.3
85.02949	7.4
87.00869	3.1
89.02444	64.3
89.94804	0.7
93.03465	2.0
93.07108	0.7
95.01410	4.0
95.05027	27.2
99.04514	1.8
101.02443	39.2
105.37513	0.8
107.03493	1.0
111.00884	16.2
113.02450	21.2
119.03507	24.9
119.04903	4.7
119.59583	0.8
121.02956	100.0
121.06571	3.1
122.03270	1.3
123.04514	19.3
127.04004	10.9
131.03510	2.1
135.04536	1.7
137.06091	3.2
138.80765	0.8
139.00377	15.1
139.03992	2.3
141.09023	0.6
143.03510	6.8
147.04523	7.0
149.02443	5.4
149.04538	2.9
161.02454	0.8
161.04570	9.5
163.03989	1.2
165.05571	17.5
167.48204	0.7
179.05641	59.0
179.07141	10.8
181.05093	4.5
191.03520	4.8
191.05048	0.7
195.70708	0.6
209.04582	2.7
213.07761	0.8
223.06110	42.4
224.06509	1.1
241.07225	1.5
269.59402	0.7
333.08463	2.0
355.85529	0.8
371.09808	51.0
372.10175	2.2
403.12433	58.0
404.12714	3.5
420.33044	0.7
634.09766	0.8
720.03552	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	3.6
66.59557	1.1
67.01862	1.8
68.99805	4.8
69.03461	9.7
71.01382	60.9
72.71279	1.1
72.99310	2.5
73.02950	12.7
78.69874	1.3
83.01387	5.8
85.02948	22.7
87.00877	6.8
87.04486	1.7
89.02451	28.9
93.03456	15.8
95.01377	4.6
95.05017	4.1
97.02937	1.9
98.21812	3.2
99.00883	3.0
101.02448	32.1
109.02964	1.2
113.02455	23.5
115.04009	4.3
116.92855	1.6
118.97963	1.4
119.03516	6.9
119.05034	3.3
121.02965	61.0
121.03854	2.9
121.06544	1.9
123.04501	3.1
125.02425	2.1
129.07120	3.5
130.04269	3.3
131.03508	4.1
131.04987	1.6
133.02936	10.4
133.06688	1.5
134.03767	8.6
135.04524	23.9
136.04837	3.8
137.02438	2.3
139.04001	2.3
143.03485	4.5
145.06599	6.4
147.04498	5.0
147.08168	9.3
148.05310	88.5
149.06128	6.0
150.03209	1.7
150.83928	1.4
153.05576	1.6
158.03708	2.8
159.03001	2.0
161.02443	28.1
161.04533	12.0
161.06055	4.1
162.02832	4.5
163.04079	1.8
163.07652	72.9
164.07986	2.0
165.01938	5.1
165.05481	1.9
173.04671	1.8
173.06024	11.2
179.03491	9.3
179.05676	2.0
189.05568	4.4
191.05638	2.8
191.07130	12.0
202.02817	2.1
212.90797	1.3
215.07129	1.2
217.05046	4.7
243.02907	1.9
243.27049	1.3
257.08032	1.5
258.05411	1.3
269.04660	2.6
285.04031	2.6
287.09241	2.1
363.08664	2.0
371.13593	1.9
395.11383	3.9
397.11319	3.5
401.43909	1.4
415.12234	1.7
439.10480	2.2
457.17352	1.8
461.16272	1.5
471.18686	20.5
485.32504	3.3
510.20972	2.2
513.10278	1.2
537.26862	2.2
539.21411	3.6
593.22455	18.6
621.45483	1.4
637.21381	60.6
638.21741	5.5
645.25769	4.0
669.31226	31.0
670.31335	5.3
671.20038	51.2
671.31537	6.9
672.20233	8.6
689.25079	7.8
707.25061	6.5
831.36707	8.7
832.37817	2.3
833.37415	4.1
869.30811	100.0
870.30994	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	870.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99818	2.7
69.03455	3.4
71.01379	15.8
71.05017	2.5
73.02949	7.0
83.01415	2.0
84.00900	3.4
85.02946	10.3
87.00884	2.2
89.02450	8.2
93.03461	2.5
95.05031	1.8
96.95997	2.3
99.00864	2.8
101.02448	19.0
104.51486	1.7
108.94817	1.7
112.85355	1.8
113.02457	11.2
117.05573	21.3
118.05917	2.9
135.04504	3.5
147.47214	1.6
150.48264	1.8
161.02357	3.0
161.04536	3.6
165.05579	3.2
173.04601	3.2
179.03484	1.9
191.05603	10.7
226.80350	1.7
279.60797	1.7
357.11893	2.1
459.34729	3.6
475.18204	4.4
476.18680	4.0
497.10294	2.0
621.40198	8.8
648.32715	1.7
665.39081	100.0
666.39337	9.1
707.39996	6.1
728.80487	2.0
870.45142	19.8
871.28351	2.7
871.45691	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	879.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02402	0.7
63.41038	0.5
65.00334	1.5
69.03482	0.5
69.51109	0.4
71.01377	1.2
73.02943	0.5
74.50305	0.5
85.02961	0.7
93.03508	0.6
96.96011	1.9
101.02426	1.3
105.03484	0.5
106.77550	0.5
107.01387	2.2
109.02975	0.8
117.03448	5.4
119.05007	2.5
121.02934	0.6
132.02234	0.6
133.02957	7.7
134.03630	0.6
135.04582	3.1
137.02359	0.6
145.02956	10.7
145.70598	0.5
149.02434	2.2
150.03239	0.9
151.00371	4.7
155.03444	1.1
161.02475	4.9
162.02733	0.7
163.04036	1.2
165.05525	0.7
173.04608	0.7
174.64297	0.5
175.04012	2.2
177.01917	1.2
179.03513	1.7
191.05586	2.4
199.04001	2.0
201.01961	0.8
213.05650	0.8
217.05109	1.0
241.05028	1.2
243.02953	0.8
256.03778	1.1
262.93689	0.5
269.04514	4.7
284.03271	15.6
285.04050	100.0
286.04474	4.3
323.07468	0.7
593.13000	93.9
594.13611	5.9
595.14575	0.7
659.27246	0.6
879.29803	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.199
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02410	0.4
65.00319	0.6
69.03452	0.2
80.33531	0.2
83.01391	0.5
89.02448	0.4
93.03461	0.3
96.36080	0.2
97.51623	0.2
101.02461	0.3
107.01406	1.2
109.02975	0.3
115.85474	0.2
121.02918	0.4
125.02445	0.3
133.02950	4.7
134.03625	0.2
135.04466	0.6
149.02440	1.2
151.00374	3.5
161.02466	0.7
165.05504	0.3
165.56398	0.2
171.04535	0.4
173.04591	0.3
175.04005	1.7
177.02014	0.3
179.03474	0.4
184.57303	0.3
185.06046	0.2
191.05620	1.5
191.67441	0.2
199.03970	1.5
200.04671	0.2
201.01906	0.3
203.00609	0.2
209.11870	0.6
211.03926	0.3
213.05563	0.5
217.05096	1.2
227.03503	0.3
229.04941	0.2
239.03453	0.3
241.05081	0.9
243.02991	0.5
255.03047	0.2
256.03809	1.3
257.04562	0.4
264.07047	0.3
268.03787	2.6
269.04343	0.8
270.04669	0.3
283.02405	0.4
284.00705	0.4
284.03259	20.8
285.04034	100.0
286.04395	2.5
297.03772	0.3
327.04901	0.4
431.09735	2.3
432.10397	0.3
433.10492	0.3
447.09308	61.9
448.09659	1.7
566.65411	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98498	0.5
61.98829	8.9
63.02395	0.9
65.00362	0.7
69.03458	0.7
79.14177	0.5
83.01430	0.6
85.02937	0.6
89.02448	0.7
95.01407	2.4
97.02963	0.6
101.02438	0.6
107.01400	1.3
109.02946	0.7
116.92847	0.9
121.02973	0.9
123.04482	0.4
125.02464	0.5
133.02975	4.0
135.04506	1.1
137.02451	0.5
149.02388	1.5
151.00401	2.5
155.03505	4.4
161.02431	1.7
165.05533	0.5
173.04622	0.5
175.04008	1.9
179.03452	0.9
185.06076	0.4
191.05630	1.0
199.04047	1.7
241.04958	0.7
243.03079	0.5
256.03680	0.7
269.04568	1.0
284.03265	21.4
285.04044	100.0
286.04352	5.0
299.05609	5.8
327.04993	0.5
347.16656	0.6
385.32700	0.5
429.08215	0.5
447.09332	0.5
501.13696	0.5
553.10052	1.5
585.12549	2.7
623.13739	0.6
817.22009	39.1
818.23102	3.0
879.36481	1.4
880.36176	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	881.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01875	0.5
69.03452	36.5
70.03777	0.5
71.01378	14.8
73.02942	2.6
75.00849	0.3
81.03445	1.2
83.01379	0.7
85.02934	2.8
87.00874	2.6
89.02440	16.9
93.03445	3.2
95.01379	0.8
95.04411	0.7
95.05022	12.8
97.02948	12.3
98.21833	0.6
99.04507	4.3
101.02435	7.4
102.77789	0.3
105.03443	0.7
107.05025	5.0
109.06583	1.1
113.02443	17.6
114.02712	0.4
119.03513	2.2
121.06593	0.9
123.04554	1.5
125.02419	0.5
125.06049	2.4
131.03503	3.8
133.06602	0.4
141.01866	0.5
143.03468	0.5
147.04526	0.4
149.03429	0.6
149.04546	3.8
149.06055	3.0
151.07634	4.1
161.04572	0.5
167.07115	1.2
168.42720	0.3
169.08702	8.5
179.05603	0.5
191.05600	10.3
193.05055	4.9
196.20207	0.3
199.97606	0.3
213.07672	12.6
214.07974	0.4
373.11343	17.2
374.11737	0.8
375.11652	0.3
507.17142	100.0
508.17429	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	883.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	1.4
65.03951	0.9
67.01887	1.1
68.99815	15.7
69.03458	5.8
71.01379	50.8
72.94054	0.5
72.99306	2.4
73.02946	11.8
83.01378	3.6
85.02950	18.0
86.00130	0.8
87.00874	6.2
87.04526	2.4
89.02444	38.0
91.01884	3.6
93.03453	9.3
95.01386	4.7
97.02940	2.2
99.00867	2.9
101.02441	44.3
103.04012	1.8
105.03443	0.8
107.05029	7.7
108.02155	0.7
113.02449	23.7
113.98488	0.5
115.03992	3.5
119.01448	0.6
119.03501	14.8
119.04964	0.9
120.02200	0.7
120.49370	0.5
121.02956	17.2
121.06561	2.6
125.02457	2.2
131.03500	4.1
135.04550	2.6
137.02470	1.4
143.03508	8.4
143.05055	1.2
145.05084	1.1
145.06549	2.7
147.04517	7.4
148.05305	100.0
149.02402	0.8
149.04552	1.6
149.05954	1.9
151.03995	3.0
153.05582	5.1
155.04890	0.5
158.03688	1.1
159.03032	1.9
160.68730	0.5
161.02419	1.4
161.04559	21.3
163.03992	2.0
163.07642	81.8
164.07915	1.0
165.01944	2.9
165.05598	1.4
171.04520	2.1
172.05280	0.9
173.04652	0.6
173.06061	5.9
175.04025	0.7
179.03493	12.6
179.05580	6.3
179.07100	1.0
187.07639	1.6
189.05580	2.0
191.05585	2.2
191.07146	2.1
195.06612	1.5
199.04034	0.9
205.07143	3.6
205.08736	1.2
207.06612	1.5
209.11861	1.0
212.81844	0.6
215.07104	0.5
217.05002	2.8
221.08244	1.3
223.09814	0.7
231.06610	7.3
235.06160	1.3
247.09898	0.6
249.07695	5.0
269.04501	0.6
285.04016	1.0
307.10242	1.3
325.12915	3.8
346.30945	0.6
429.14050	10.5
471.18704	73.4
472.18973	1.9
601.23315	0.8
619.24103	11.6
651.22913	68.6
652.23230	2.9
653.21881	1.0
671.23517	9.7
685.25336	3.7
689.24677	1.9
703.26208	5.5
721.27130	12.0
883.31769	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01912	0.8
68.99812	10.9
69.03447	4.6
69.79398	1.9
71.01383	5.3
74.02043	1.4
74.02470	28.4
80.91708	0.6
82.95426	1.5
85.02982	1.4
89.02430	6.7
93.03417	1.0
94.02982	40.7
95.01392	0.8
96.96021	0.8
97.01170	1.0
98.02477	0.8
98.22549	1.2
100.00410	20.4
101.02442	14.9
105.03466	0.8
106.99615	2.5
109.01194	3.7
109.02944	0.8
113.02464	1.7
118.02972	1.4
119.03503	2.2
120.04538	0.8
121.01184	1.1
121.02943	2.2
122.02482	100.0
122.99088	5.3
123.02807	0.8
123.04526	0.9
125.00683	4.2
127.03997	1.6
132.04521	1.8
133.02905	0.8
134.06154	0.7
134.99068	1.0
135.04599	0.8
136.04056	1.2
137.00674	5.1
140.01762	1.7
146.06110	0.8
147.03094	0.6
148.04027	1.9
149.02428	2.7
152.01749	2.3
153.00110	2.9
155.03429	0.8
156.04613	0.6
158.09801	0.8
160.04054	3.6
161.04671	0.8
162.01888	0.6
162.05626	2.9
162.98598	4.6
165.00140	9.8
170.31921	0.7
174.05579	1.9
176.03500	0.8
178.03343	0.9
183.16705	0.6
186.02223	1.4
188.03543	5.8
189.04338	3.4
190.05127	0.9
190.98151	1.1
191.03699	0.7
191.05557	1.1
192.01176	1.2
194.02748	2.9
197.02779	2.8
206.02837	0.8
217.03351	0.8
217.98827	0.7
218.02734	0.6
222.02304	2.9
223.00804	1.1
224.03810	0.9
232.02361	0.7
233.03091	0.9
236.03883	1.9
237.05144	0.8
238.01767	11.6
249.05890	0.8
254.04692	0.9
256.03030	0.9
266.01154	1.6
284.02341	1.8
288.03296	2.0
298.03860	0.8
302.04971	1.2
324.88339	0.7
334.82529	0.7
357.10080	1.1
358.07410	0.7
520.12793	2.5
520.87036	0.7
530.13721	1.4
552.15680	3.3
621.13995	2.7
653.16547	9.1
653.26508	1.0
667.73981	0.7
723.20868	3.0
885.25995	87.0
886.26160	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	885.26
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01878	1.7
68.99818	11.2
69.03460	4.5
70.92955	0.8
71.01383	9.2
74.02470	51.6
83.01337	0.9
85.02946	3.3
89.02444	9.1
92.84091	0.9
93.03476	1.4
94.02985	32.9
95.01353	1.0
95.05000	1.3
96.95998	0.9
100.00407	23.8
101.02448	20.6
102.75063	0.8
106.99619	2.0
109.01166	3.5
109.02972	1.0
113.02454	3.7
118.03014	1.5
119.03493	2.5
120.04483	1.2
121.01167	1.3
121.02949	3.7
122.02484	100.0
122.99091	3.8
123.02864	1.6
123.07970	0.8
125.00696	4.7
127.04009	1.7
132.04541	2.0
133.02927	1.6
134.02432	1.4
134.99074	1.2
135.04510	1.7
136.04056	1.5
137.00682	4.6
140.01794	1.4
144.04538	1.0
146.06105	1.2
148.04039	3.5
149.02454	5.0
152.01735	2.7
153.00159	2.5
153.01851	1.0
160.04010	2.7
161.02417	2.5
161.10870	1.0
162.05637	1.7
162.98610	6.0
164.01782	0.8
165.00150	10.6
174.05602	2.9
176.01749	1.6
176.03297	1.0
182.15842	0.9
186.02316	1.3
188.03557	2.9
189.04291	2.6
190.98030	2.0
191.03287	1.1
191.05583	2.5
192.01285	2.3
192.06648	1.2
194.02850	1.9
194.24403	0.9
195.46597	0.8
197.02736	2.2
204.40604	0.9
218.02693	1.7
222.02237	2.2
223.00632	0.9
236.03824	1.5
237.05252	1.0
238.01773	12.2
240.74002	0.9
260.03879	1.3
266.01285	3.1
268.03656	2.9
269.04483	1.1
284.02429	3.6
288.03403	1.5
298.03928	2.0
302.04959	1.7
357.10052	1.4
372.08893	1.2
431.09753	3.8
520.12976	2.3
541.14667	1.1
552.15540	7.2
578.13690	6.2
621.13947	3.8
648.17883	2.3
653.16748	14.6
691.18500	1.8
723.20709	2.3
815.22437	2.0
885.26019	79.3
886.26141	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	887.355
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01887	3.8
69.03447	1.2
71.01392	1.4
71.56938	0.2
73.02931	0.4
81.03459	0.8
83.05043	0.7
83.51413	0.2
85.02946	4.3
87.00873	5.6
93.03458	26.2
94.03784	0.4
96.96009	0.6
99.00876	0.4
99.04511	0.6
101.02456	0.3
109.02944	0.5
111.04513	3.6
113.02445	0.5
117.03448	0.8
127.04018	1.1
129.01959	0.7
129.41168	0.2
134.03745	8.7
135.04048	0.3
137.02399	0.3
143.03481	0.2
149.06085	0.8
155.03499	0.7
160.01669	0.4
161.02553	0.3
171.02995	0.3
173.04550	9.3
175.03983	0.6
191.05611	100.0
192.05956	2.3
193.04977	4.3
236.45282	0.2
367.10315	47.9
368.10812	1.9
369.10910	0.7
372.91370	0.2
519.24554	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99831	0.5
69.09603	1.6
69.10013	0.9
70.67589	0.4
71.01384	11.7
71.01778	0.8
71.94351	0.3
73.02947	5.5
80.91091	0.3
83.01380	2.9
85.02956	7.8
86.00089	0.6
87.00873	0.9
89.02451	3.6
95.01385	1.6
97.02952	0.5
99.00880	1.6
101.02441	13.3
111.00838	0.5
113.02456	8.9
119.03511	1.0
127.04058	0.4
133.02963	0.6
143.03438	0.5
159.02972	1.2
161.02467	0.6
161.04550	3.7
191.05573	0.9
211.38013	0.5
233.97917	0.4
282.73450	0.5
305.99570	0.5
399.00366	0.5
427.32254	2.8
439.32071	1.5
440.26328	0.5
440.32346	0.5
459.34921	2.9
503.33667	1.3
621.40125	9.8
665.39075	100.0
666.39557	5.6
679.40424	1.1
707.40131	6.5
827.44220	1.0
887.46399	3.9
888.46899	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.365
Annotation	Unknow
Peak:m/z	Relative Intensity
62.95344	0.3
67.01888	0.7
69.03454	25.7
71.01379	17.4
72.99322	0.4
73.02944	0.4
81.03463	0.5
82.31582	0.3
83.01387	0.8
85.02946	3.5
87.00887	0.8
89.02442	19.3
92.41936	0.3
93.03453	5.8
95.01386	1.3
95.05017	1.2
97.02948	31.9
98.03263	0.3
100.80965	0.3
101.02447	8.6
105.03465	2.0
106.04234	0.4
107.05001	0.3
108.02132	0.5
113.02446	6.0
119.03501	6.6
119.04883	0.4
121.02951	0.9
121.06606	1.8
123.04523	5.9
125.02517	0.4
131.03510	0.4
131.05023	0.5
134.03758	0.5
141.01979	1.0
143.03468	1.0
147.04482	0.7
149.06081	10.7
156.48889	0.3
161.04526	0.8
167.07130	3.8
173.57141	0.3
179.05594	2.2
190.07846	0.3
191.05638	0.7
192.05898	0.3
193.05051	21.3
194.05534	0.3
276.99399	0.3
373.11377	100.0
374.11783	2.0
515.56940	0.4
519.17529	0.4
519.24622	0.7
885.68079	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03963	3.5
66.92220	0.6
67.01904	1.6
68.99818	10.3
69.03458	39.4
69.64301	1.6
69.64695	1.1
70.03790	0.5
71.01387	12.2
71.10783	0.5
72.99334	0.8
73.02951	1.2
83.01387	0.8
85.02949	3.2
87.00894	0.6
89.02448	14.7
89.03005	0.8
93.03460	15.5
95.05042	0.8
96.96011	0.9
101.02448	26.8
109.03027	0.6
113.02448	4.8
119.03504	5.2
119.05039	0.9
121.02957	3.1
121.06606	1.2
123.04511	0.6
127.04082	0.6
133.02898	0.7
135.04532	8.8
136.01598	0.5
137.02455	2.7
143.03502	1.3
145.06602	0.7
149.02425	0.7
151.00430	0.7
153.05577	37.6
158.03761	0.8
161.02452	2.4
161.04559	1.3
163.07660	1.1
173.04555	8.0
173.06111	2.7
179.03519	0.8
179.05627	3.1
185.11734	0.9
189.05640	0.6
191.05603	3.6
191.07150	4.8
205.08688	2.0
207.06641	0.6
209.64734	0.6
223.09790	3.0
235.06120	1.8
249.07629	1.7
267.08606	1.3
326.76733	0.7
353.12512	1.6
357.15598	3.9
397.11551	2.0
417.06177	2.3
429.14005	100.0
430.14377	3.4
477.19553	1.0
529.58063	0.7
569.07446	0.8
731.12531	2.0
893.16998	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
63.98434	0.2
65.00321	0.4
69.05447	0.2
69.07783	1.7
71.01006	0.4
71.01382	5.6
83.01382	0.5
85.02968	1.4
89.02439	4.5
95.01382	0.3
99.04509	3.7
101.02444	2.9
107.01377	0.6
109.02924	0.3
109.06608	0.4
113.02454	2.0
115.90472	0.2
119.03505	1.7
133.02960	1.0
135.04532	0.4
149.02440	0.4
151.00352	1.0
154.66521	0.2
165.12817	2.1
173.81409	0.2
175.03993	0.5
187.07637	0.3
189.12810	0.5
191.05618	4.2
199.03955	0.5
207.13905	6.6
209.11816	13.6
210.12143	0.4
217.05029	0.4
225.14967	3.7
227.03448	0.3
251.12881	4.0
256.03763	0.8
257.08160	0.3
269.13928	33.7
270.14352	1.2
284.03250	17.4
285.04013	36.2
286.04330	5.5
287.04636	1.6
306.35138	0.3
327.05115	0.5
408.50482	0.3
447.02972	0.4
447.09305	23.8
448.09650	5.2
449.09909	4.2
449.20248	100.0
450.20563	5.2
456.16989	0.3
887.78510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00321	0.2
67.29369	0.2
69.11971	1.0
69.12370	0.4
87.00872	0.2
93.03453	1.5
98.21840	0.2
107.01412	0.4
117.03468	0.6
121.02891	0.2
134.03740	0.2
149.02429	0.5
149.99612	0.3
151.00388	0.8
158.63983	0.2
172.05296	0.3
173.04541	0.6
178.02679	0.2
191.05612	0.6
196.05225	0.3
197.38615	0.2
200.04671	0.3
211.03963	0.3
212.04759	0.3
225.05574	0.2
239.03450	0.6
240.04175	1.1
267.03049	0.4
268.03763	51.3
269.04526	19.1
270.04758	0.5
283.06195	0.3
284.80038	0.2
311.05505	0.8
329.06744	0.2
341.07001	0.2
431.09818	100.0
432.10101	3.6
467.15640	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	903.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99806	0.5
69.03477	0.6
71.01380	3.4
71.44915	0.4
73.02937	0.7
85.02946	1.8
87.00887	0.7
89.02440	0.5
93.03456	1.9
94.33192	0.5
95.01364	0.6
96.95990	1.0
97.02956	0.5
101.02448	1.8
105.03456	0.9
107.05019	1.3
109.02951	1.7
111.00860	0.7
113.02425	1.0
117.03465	1.3
121.02928	1.2
123.04536	1.1
124.01636	0.6
125.02451	0.8
132.02159	2.5
133.01894	1.0
133.02953	45.9
134.03757	7.7
135.04524	50.1
135.72435	0.4
136.04851	0.7
137.02452	3.0
138.03293	0.5
139.03894	0.5
147.04524	1.1
148.05305	0.5
149.02455	0.7
149.06094	2.9
150.03198	0.5
151.00354	4.4
151.03946	0.8
152.01125	0.7
158.03748	0.5
159.04512	1.7
160.01607	2.2
161.02438	100.0
162.02824	1.1
163.03995	1.3
165.01974	0.6
166.02707	14.1
167.03482	1.2
169.42081	0.5
173.04584	2.2
173.05994	0.6
175.03995	5.5
176.04779	1.6
177.01917	1.9
177.05560	5.8
178.02684	1.8
179.03493	26.7
180.04111	0.6
181.05064	14.9
187.03825	0.7
188.04799	1.3
188.62555	0.5
189.05589	0.5
191.03505	1.3
191.05603	3.8
192.04303	0.8
193.05040	3.7
203.03539	2.1
205.05035	1.2
206.05788	0.8
207.06732	1.0
219.03041	0.5
219.06557	0.7
220.03769	1.2
221.04526	4.4
221.08067	0.9
251.05702	0.5
263.05573	1.9
280.05820	1.3
285.03616	0.6
323.07718	21.7
337.09280	1.2
340.09314	0.7
341.10422	0.5
347.17258	0.7
353.08759	1.5
358.10577	0.9
359.11295	0.5
372.11813	0.6
373.12799	2.6
387.10480	0.6
388.11707	1.3
402.13077	1.3
403.13760	3.1
417.15286	1.3
471.13745	0.5
515.12079	0.7
685.84448	0.5
741.23950	63.3
742.24353	3.9
903.29254	25.4
904.29364	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	905.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	2.3
68.99806	1.4
69.03457	50.8
69.72324	2.5
69.72723	1.8
71.01383	19.7
72.99313	1.2
73.02936	2.2
81.03450	3.6
85.02950	4.1
87.00853	1.2
89.01927	1.4
89.02450	21.2
93.03459	2.9
95.01331	1.0
95.05027	24.3
98.22599	1.1
99.59926	0.9
101.02444	12.2
111.95676	0.8
113.02460	7.0
119.03474	6.6
119.34675	0.9
121.02986	1.0
121.06603	10.1
125.02446	5.3
127.04007	2.7
128.21568	1.0
129.07162	1.5
132.05815	1.2
139.00398	1.0
139.04025	4.2
139.11269	1.2
142.63658	0.8
147.08144	7.9
149.04527	1.9
165.05663	0.9
165.09198	10.2
173.04532	1.1
179.03804	0.8
179.05588	1.9
183.10274	1.7
191.05577	4.7
191.07141	12.6
193.77202	0.9
209.08145	1.0
235.06158	1.0
241.07092	1.2
365.18079	1.3
371.13458	100.0
372.13599	1.8
373.11487	1.3
415.12442	37.7
489.16248	7.5
886.71198	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
65.82927	0.6
69.03448	3.0
71.01373	6.2
72.99314	9.8
78.06019	0.5
85.02930	1.3
87.00863	0.6
89.02443	4.6
90.35513	0.5
93.03458	0.6
93.86365	0.4
95.01391	0.8
95.05036	5.7
97.02957	0.7
97.06612	0.5
99.79542	0.5
101.02446	3.9
107.05032	6.0
113.02457	2.3
119.03503	1.8
119.05029	1.3
120.41612	0.5
121.06599	1.7
123.04510	1.6
131.03485	0.6
133.02956	6.7
133.06596	1.7
134.03748	3.8
135.04530	50.2
136.04929	0.5
137.06148	0.5
139.04012	6.6
147.08206	1.1
149.09677	0.6
151.04024	6.3
157.06555	0.9
159.08138	1.4
161.02449	24.4
169.05051	2.0
175.07669	1.5
177.09277	0.7
179.03499	38.5
191.05602	1.8
195.03020	1.1
203.07118	1.1
211.09738	1.2
213.04143	4.2
221.08205	10.0
239.09245	2.7
265.07126	1.1
297.12012	0.7
401.14709	0.7
445.13507	100.0
446.13846	3.8
447.14099	0.6
459.15079	87.5
460.15353	1.5
620.46759	0.5
877.17194	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	4.4
70.02958	1.0
71.01385	7.6
72.99310	13.0
73.02962	0.4
75.52819	0.4
79.05531	0.6
83.01398	0.6
85.02962	2.8
87.00868	0.5
89.02439	6.7
89.99323	0.4
91.05554	0.6
93.03453	0.7
95.01380	0.6
95.05026	8.1
97.06611	0.7
101.02445	5.0
106.04219	0.7
107.05031	8.4
109.02932	0.7
109.06583	0.6
111.08163	0.5
113.02457	2.9
117.03544	0.6
119.03489	2.0
119.05038	1.5
121.02962	0.5
121.06571	2.3
123.04533	2.3
131.05089	0.5
132.02144	0.4
133.02959	9.3
133.06599	2.1
134.03734	4.4
135.04526	72.7
135.06642	1.5
137.06087	0.8
139.04015	9.4
147.08180	1.7
149.06052	0.5
151.03996	7.5
157.06650	1.0
159.08153	2.5
161.02443	35.6
162.02846	0.5
169.05057	2.4
173.05954	0.5
175.07646	1.1
176.66490	0.4
177.05617	0.8
177.09204	0.7
179.03497	44.9
191.05568	1.3
195.02960	1.4
203.07097	0.9
211.09775	1.0
213.04022	4.9
221.08176	11.4
221.10207	0.9
239.09268	4.6
265.07153	1.3
297.12085	0.8
341.08524	0.7
401.14389	0.7
445.13492	100.0
446.13928	2.8
447.13995	0.8
459.15067	92.0
460.15607	1.8
500.84140	0.5
615.30658	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02402	0.3
65.00333	0.4
69.23820	0.3
69.24213	0.3
83.01369	0.2
107.01371	0.8
109.02965	0.2
112.04070	0.2
133.02950	1.6
134.03714	0.3
148.01706	0.2
149.02483	0.8
151.00365	1.9
169.06476	0.2
175.04008	0.9
183.04555	0.2
191.05476	0.2
199.04016	0.9
200.04813	0.1
201.01962	0.3
211.03964	0.3
213.05585	0.3
215.03510	0.2
216.80688	0.2
217.05035	0.4
227.03542	0.5
234.05957	0.1
241.05048	0.5
241.28590	0.1
243.03185	0.2
255.03046	0.3
256.03806	1.5
257.04547	0.3
267.02994	0.2
269.04529	0.2
283.02472	0.3
284.03271	30.7
285.04047	71.4
286.04395	1.2
297.04044	0.2
327.05179	1.0
414.04205	0.1
447.09317	100.0
447.71439	0.2
448.09735	2.7
458.11218	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03543	0.4
69.03454	0.9
71.01373	2.7
73.02971	0.6
85.02956	1.6
87.00889	0.7
89.03985	0.5
93.03465	1.8
95.01385	1.0
96.96014	9.5
97.02970	0.6
99.00907	0.5
101.02451	2.1
105.03469	1.4
107.05059	1.1
108.02185	1.4
109.02936	1.0
113.02461	1.2
117.03471	1.3
121.02959	2.4
122.03736	4.1
123.00874	0.6
123.04525	1.7
124.01599	0.7
125.02401	0.5
132.02124	3.0
133.02959	47.4
134.03770	8.3
135.04526	40.5
136.01660	6.4
136.04851	0.7
137.02444	3.0
143.75491	0.6
145.02989	0.5
146.03751	2.2
147.04510	1.7
147.80901	0.5
148.05313	0.8
149.02449	5.6
149.06076	4.3
150.03221	24.8
151.00401	1.0
151.04022	8.5
155.03502	0.9
159.04520	1.1
160.01691	2.0
160.05287	0.6
161.02444	100.0
161.06070	1.5
162.02925	2.2
163.03952	1.0
164.04819	1.8
165.05574	16.5
166.02722	2.2
173.04529	1.0
173.06035	0.4
175.04024	3.7
176.04829	1.0
177.01933	1.8
177.05577	8.8
178.02737	1.1
179.03496	27.1
179.07082	1.8
180.04218	1.7
181.05101	2.2
189.05618	0.9
190.06404	0.6
191.03453	0.5
191.05582	1.2
191.07144	1.1
193.05074	3.9
195.06647	2.0
195.54042	0.4
197.02692	0.5
198.06647	0.5
203.03502	2.0
204.04309	1.9
205.04997	0.7
207.06491	0.6
219.06618	5.0
220.03798	1.2
221.04518	8.3
235.06126	1.7
247.06157	0.8
249.05693	0.6
251.05544	2.7
263.05594	1.1
265.07199	0.5
269.01929	0.6
269.04562	2.1
280.05893	1.1
281.06665	4.6
283.64093	0.6
285.04031	1.7
295.08371	0.5
323.07751	12.5
325.09409	1.7
337.09155	1.4
341.08664	3.1
342.10754	0.5
345.15601	0.5
357.09549	0.6
367.81296	0.5
373.12552	1.1
440.34427	0.5
503.17410	0.5
515.15692	1.2
519.15045	7.9
533.17059	0.7
679.20142	3.0
680.20819	1.1
704.25018	0.5
709.21674	1.3
710.22168	5.7
711.22906	2.7
765.23987	1.1
783.24847	1.1
853.38037	0.5
889.29791	1.8
907.30219	44.8
908.30756	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	907.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	1.1
69.08905	2.9
71.01378	3.2
73.02948	0.9
73.55608	0.4
83.01427	0.7
85.02943	1.4
87.00872	0.9
89.02442	1.2
89.04005	0.5
91.10004	0.4
93.03431	2.1
95.01382	1.1
95.05018	0.5
96.96011	3.4
97.02946	0.6
99.00903	0.6
101.02441	1.8
104.02666	0.4
105.03461	1.5
107.05070	0.6
108.02154	1.8
109.02927	1.2
111.00874	0.8
113.02430	1.2
114.98151	0.4
115.01866	0.4
117.03448	2.0
119.04997	0.5
121.02946	2.4
122.03731	2.8
123.00928	0.5
123.04536	2.2
132.02158	3.5
133.02956	49.4
134.03746	8.6
135.04520	37.4
136.01682	5.7
137.02438	3.3
138.03239	0.5
139.03993	0.8
145.03027	0.5
146.03702	2.6
147.04507	1.3
148.05298	0.8
149.02441	4.8
149.06064	3.0
150.03210	15.5
151.00484	1.0
151.04001	10.1
155.03458	0.9
159.04535	1.1
160.01645	2.3
161.02437	100.0
161.06076	1.9
162.02875	1.7
163.03993	1.1
164.04813	1.9
165.05551	8.7
166.02704	1.8
167.03561	0.5
173.04562	0.5
174.03241	0.7
175.03993	4.3
176.04759	1.1
177.01898	1.3
177.05545	4.6
178.02660	1.8
179.03488	20.3
179.07106	1.5
180.04179	1.2
181.05078	3.2
187.04063	0.6
189.01895	0.5
189.05475	0.6
191.03653	0.4
191.05589	1.6
191.07146	0.6
192.04204	0.4
193.05042	4.2
195.06653	1.5
203.03494	2.7
204.04259	3.4
205.05002	1.0
217.05034	0.6
219.06630	6.2
220.03680	1.0
221.04494	4.2
223.06105	1.0
247.06345	0.5
251.05511	0.7
252.34744	0.4
263.05453	0.6
269.04462	1.2
280.05905	0.8
282.05521	0.5
285.04095	2.5
286.04529	0.5
309.07379	0.5
323.03778	0.9
323.07678	16.8
325.09274	2.1
337.09198	1.5
341.09073	0.7
343.11804	1.1
345.15433	1.9
353.98740	0.4
357.09467	0.9
357.13449	0.8
371.11520	0.8
373.12885	0.8
385.12485	0.5
411.62256	0.4
427.13660	0.5
475.12231	0.8
477.13882	0.5
502.03946	0.5
503.15533	0.9
515.15356	1.7
679.20276	1.2
680.20734	0.7
695.20038	0.8
709.20935	1.5
710.22064	16.6
711.22498	4.6
725.23413	0.7
765.23938	1.5
783.25183	1.9
859.27673	1.3
889.29266	3.1
890.28754	0.7
907.30200	36.9
908.31000	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	907.361
Annotation	Unknow
Peak:m/z	Relative Intensity
63.51234	1.3
69.03453	2.6
71.01379	34.8
71.87683	1.4
72.99283	2.2
73.02942	6.7
83.01385	4.6
83.63667	1.4
84.16874	1.7
85.02956	11.3
87.04517	7.2
89.02453	22.8
95.01391	2.5
95.05025	3.0
95.73493	1.4
96.96014	10.2
97.02945	3.9
98.22739	2.0
101.02438	14.4
109.02906	2.6
109.06582	2.2
113.02477	7.7
119.03494	9.1
121.02944	3.6
122.03741	2.9
123.04507	6.2
125.02466	2.1
133.02948	13.3
134.03723	4.2
135.04561	11.8
136.01665	48.7
137.02426	2.5
137.06050	2.8
143.03467	2.9
146.03836	1.8
149.06097	2.6
150.03209	5.7
151.04008	57.4
153.01871	1.8
155.03522	2.5
161.02448	29.8
161.04488	2.0
161.06110	1.9
162.03035	2.0
163.07584	2.5
163.11304	8.2
165.05499	3.5
166.02634	1.5
175.03986	2.3
175.07663	1.9
175.11263	1.8
177.05492	2.7
179.03503	7.1
179.05592	4.5
180.79572	1.5
181.12296	12.4
182.00284	1.6
184.22462	1.6
191.05545	3.7
195.06789	1.6
205.12358	2.0
207.10260	2.6
219.13942	1.5
221.04517	2.0
225.11330	27.8
231.10234	9.0
249.11426	11.0
263.12799	7.4
269.04572	3.7
285.04056	4.3
291.12360	15.5
309.13504	4.1
313.10764	1.5
323.07654	4.0
327.12354	6.6
342.10800	2.7
343.11749	4.7
357.13348	17.8
369.15585	13.6
519.15326	2.5
521.13684	1.7
547.18549	1.8
549.21710	2.5
583.56061	1.6
621.14600	2.4
679.20984	1.7
727.29749	100.0
728.30151	8.4
907.36053	47.9
908.35345	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	908.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	0.8
66.89260	0.6
71.01377	8.6
71.10482	0.5
75.11387	0.6
75.93011	0.6
80.73744	0.5
89.02460	5.5
99.04500	3.8
101.02431	2.6
113.02454	2.3
119.03514	1.8
121.02965	0.6
135.04527	3.3
136.01665	1.0
137.05939	0.6
141.64194	0.6
149.02446	0.6
150.03181	1.2
151.00359	4.0
151.03998	0.8
162.95230	0.7
165.05539	0.9
165.12830	2.8
189.12799	1.0
191.05605	2.1
207.13879	5.8
209.11853	15.9
209.37265	0.5
209.97324	0.6
225.14963	5.1
251.12849	3.8
269.13928	34.9
270.14407	0.9
284.03253	2.6
285.03986	10.3
286.04379	4.6
287.05548	6.3
296.83847	0.6
314.95074	0.6
360.27866	0.7
432.53006	0.8
447.09241	7.7
448.09628	4.3
449.10037	5.4
449.20267	100.0
450.20749	3.5
459.14838	0.9
609.38733	0.6
652.83215	0.7
663.58325	0.6
703.49207	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
64.47930	0.6
65.00340	0.9
67.01887	0.6
68.99805	0.6
69.03449	0.8
71.01377	4.6
71.44909	0.6
73.02944	1.3
83.01405	0.7
85.02958	1.8
85.46843	0.5
88.98809	0.9
89.02455	2.4
93.03450	1.7
95.01437	0.6
96.96023	1.0
97.02988	0.8
104.13702	0.7
105.03474	1.2
107.01394	1.0
107.05013	0.7
108.02180	0.5
109.02959	2.0
113.02457	1.6
117.03465	1.6
119.05000	0.6
121.02978	2.3
122.03715	2.9
123.04532	1.8
124.01620	0.7
127.04043	0.6
132.02165	3.2
133.02962	45.5
134.03764	7.5
135.04532	38.2
136.01639	1.1
136.04909	1.2
136.56285	0.6
137.02463	2.8
140.27066	0.5
145.02954	1.9
146.03706	1.4
147.04549	0.9
148.05321	0.7
149.02443	4.6
149.06100	2.7
150.03223	16.9
151.00397	4.5
151.03986	1.9
155.03525	2.1
159.04434	1.0
160.01649	1.8
160.05296	0.9
161.02448	100.0
162.02753	3.1
163.02837	0.6
163.04068	1.1
164.04802	1.6
165.05560	11.0
173.04553	1.6
175.03984	4.0
177.02017	0.9
177.05540	4.3
177.73956	0.6
178.02734	1.5
178.06207	0.7
179.03508	19.2
179.07115	1.6
180.04201	2.1
181.05075	1.8
190.06252	0.9
191.03682	0.6
191.05574	1.7
191.07138	0.7
192.04195	0.6
193.05040	2.2
195.06590	2.3
203.03520	1.6
205.08685	0.6
207.06694	1.0
209.11778	1.1
214.46310	0.6
219.06651	0.9
221.04547	3.6
225.11412	0.9
227.03610	0.7
263.05643	1.4
269.04501	1.6
280.05847	0.9
284.03122	1.5
285.04031	13.8
287.05682	2.6
303.08405	0.6
307.08255	0.7
323.07703	16.1
324.07980	0.6
325.10663	0.6
326.11600	0.7
329.10309	0.9
329.13965	1.5
337.09326	1.2
341.10266	1.7
342.10919	1.0
343.11856	1.6
344.12607	1.4
345.13364	1.8
356.12625	1.3
357.13519	1.5
359.14838	2.2
417.15417	2.2
437.80142	0.7
487.16083	0.8
491.19540	1.1
519.15149	13.4
520.15417	1.8
521.15582	1.6
683.23889	0.6
712.24005	3.9
713.24103	1.0
729.31458	2.9
747.27673	0.8
820.99402	0.6
909.31628	49.5
910.31519	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	911.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01884	1.2
69.03458	24.5
69.69551	1.0
69.69945	1.0
69.79130	0.5
71.01385	19.4
72.99327	0.8
79.01945	0.5
79.62610	0.4
85.02965	3.2
89.02444	17.7
93.03460	5.9
95.01381	1.2
95.05023	1.0
97.02956	33.3
98.03291	0.5
98.22688	0.6
101.01802	0.6
101.02449	7.8
105.03465	2.2
113.02450	5.9
119.03501	6.9
121.03006	0.6
121.06629	1.5
123.04539	6.8
131.03494	0.8
141.01962	1.2
143.03516	1.1
147.04517	0.7
149.04810	0.9
149.06091	11.9
158.25285	0.5
161.04550	0.7
167.07138	4.6
178.85861	0.5
179.05582	2.0
193.03275	1.1
193.05063	22.8
274.85748	0.6
282.00201	0.7
284.34979	0.5
373.11389	100.0
374.11630	4.0
375.11621	0.5
537.25818	2.7
538.26031	0.6
543.84119	0.6
685.39203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.7148
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46481	0.8
71.40733	0.2
78.95895	0.2
79.03000	0.2
92.44147	0.2
110.98537	0.3
185.02167	1.1
253.21758	0.4
407.33041	0.5
421.23660	0.5
455.35281	100.0
456.35614	3.2
457.36121	0.2
782.32867	0.2
905.95135	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.334
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99818	15.0
71.01011	3.3
71.01381	51.5
71.43645	2.0
71.44027	1.4
72.99262	2.0
73.02939	12.5
83.01391	6.0
85.02944	19.2
87.00868	6.8
89.02443	35.5
91.01874	2.0
91.95206	1.4
93.03459	7.4
95.01388	4.3
96.96021	2.7
99.00870	4.0
101.02437	39.2
107.05010	6.5
113.02447	21.1
115.04021	2.8
119.03500	14.9
121.02950	15.4
122.03716	1.9
131.03482	5.2
131.05020	1.6
132.05800	1.8
133.02965	2.4
133.06598	100.0
134.06906	2.5
135.04491	5.9
137.02510	2.3
139.00368	1.5
143.03520	9.7
145.06638	3.4
147.04514	5.6
149.02510	3.1
150.03215	9.3
151.03986	3.4
153.05568	4.6
155.03439	1.8
161.02475	2.9
161.04549	20.9
161.05881	2.5
163.04027	4.0
165.01953	2.0
165.05594	12.1
166.02769	1.7
173.04616	2.2
173.06042	6.7
179.03525	11.8
179.05609	9.6
180.04179	1.8
185.05971	1.8
187.07657	1.9
189.05585	3.4
191.05649	3.6
191.07214	3.5
195.06607	6.7
199.03967	2.0
205.07072	3.5
207.06589	3.4
209.11803	2.2
217.05104	4.2
231.06630	6.7
248.31297	1.6
249.07730	3.7
269.04697	1.8
284.03134	2.6
285.03964	4.8
295.11844	3.6
355.93851	1.7
417.15756	1.8
429.13852	11.6
441.17621	80.0
527.44757	2.2
589.22968	13.5
590.22498	1.7
621.21893	64.5
622.22113	4.4
623.20355	2.0
641.22223	15.6
655.23981	7.3
659.24622	2.1
673.25024	9.8
691.26147	21.0
711.28516	1.9
853.31274	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	915.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99812	0.3
69.03439	0.6
69.33693	1.0
71.01382	7.3
73.02943	2.0
74.99104	0.3
83.01400	0.6
85.02949	3.2
87.00877	8.3
89.02453	3.4
93.03451	0.3
95.01390	0.8
97.02969	0.4
99.00864	0.5
101.02443	4.8
102.98598	63.7
103.98924	0.2
111.37710	0.2
113.02450	2.9
119.03515	0.8
131.03441	0.3
133.02975	0.3
134.03766	0.4
135.04524	0.8
137.02420	0.3
137.09711	1.2
143.03481	0.2
159.02998	0.4
161.02469	0.5
161.04556	3.9
161.05827	0.3
179.03517	0.4
179.05585	0.5
191.05614	0.9
205.07217	0.3
225.11430	1.1
226.11588	0.5
249.06180	3.2
283.04926	100.0
284.05362	1.3
285.04080	0.4
302.25986	0.2
405.17746	1.3
406.17929	0.8
425.14612	1.0
446.73953	0.2
447.09323	0.5
595.15179	0.2
620.97577	0.2
641.48566	0.2
754.61926	0.2
871.23462	0.5
915.23932	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.418
Annotation	Unknow
Peak:m/z	Relative Intensity
65.90840	0.6
67.01887	2.2
68.99818	19.6
69.03445	2.6
71.01392	4.1
71.45000	0.8
74.67634	0.6
75.04054	0.7
85.02958	1.6
85.27613	0.7
89.02435	4.3
93.03460	1.0
95.01388	42.4
96.96014	1.2
97.02936	3.6
101.02448	22.5
108.02214	0.9
113.02431	2.0
116.92854	1.1
119.03503	1.1
120.08945	0.7
123.00880	0.6
123.04526	26.1
127.04012	2.3
133.02966	2.2
135.04509	2.5
155.03508	100.0
156.03853	1.3
161.02419	6.2
173.04556	0.9
179.03488	1.3
191.05553	1.6
269.04510	0.8
285.04071	1.5
392.15674	0.6
622.41998	0.9
655.33289	5.6
687.32355	31.1
688.32806	1.4
707.32751	2.0
739.35291	1.4
757.36426	6.4
919.42694	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	922.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99478	0.3
68.99815	1.5
69.03459	1.7
69.03761	0.3
69.24791	1.7
70.02985	2.7
70.56709	0.3
71.01386	6.5
72.22734	0.3
82.99631	0.6
84.04534	0.4
85.02951	1.2
86.00707	0.4
86.02473	4.0
89.02450	6.3
89.04326	0.3
94.02983	0.9
95.01392	0.4
95.04976	0.4
101.02449	3.5
103.90289	0.3
105.07081	0.5
109.01169	0.3
112.04046	13.0
113.02447	2.5
113.04331	0.3
119.03506	1.8
121.02967	0.5
122.02487	8.1
122.06088	0.5
130.04227	0.3
131.03668	0.3
131.05040	0.7
133.02946	0.5
135.99895	0.9
137.04288	2.4
139.02226	1.0
147.02719	0.7
147.04510	0.8
148.04028	0.6
148.07616	0.3
149.02419	0.3
150.01440	0.5
156.03035	1.7
158.06070	0.5
161.02448	1.9
163.02231	0.8
165.02582	0.5
165.03792	9.9
172.07697	1.8
174.05620	1.7
182.02808	6.1
188.07187	0.4
190.03320	0.9
191.01758	0.8
192.01100	0.4
192.06622	1.1
200.07172	6.3
205.02019	0.4
206.06432	0.5
218.08154	1.1
226.01784	8.4
234.05931	11.0
235.06291	0.5
254.33675	0.3
268.06464	1.0
278.04886	7.0
296.05963	6.8
297.06070	0.3
414.12155	0.6
419.09604	0.3
430.11853	0.5
445.07941	0.3
458.11261	100.0
459.11545	3.4
460.11533	0.8
461.11224	0.4
463.12341	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	923.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
64.06880	0.8
64.86522	0.8
67.01887	0.9
68.99814	1.4
69.03451	1.9
71.01382	7.7
73.02950	5.4
77.05433	0.8
81.03452	0.9
83.05022	1.3
84.74177	0.9
85.02943	7.3
87.00880	1.0
87.04513	23.8
89.02424	2.7
93.03444	1.2
95.01366	1.4
95.05032	0.9
97.02936	5.9
97.06586	1.9
98.22698	1.7
99.04501	2.6
101.02439	7.0
109.02953	3.3
111.04532	1.5
111.08147	1.7
112.53883	0.9
113.02448	3.2
123.00879	3.2
123.04502	1.1
124.01671	1.3
125.02438	2.8
125.06054	2.0
127.07650	2.1
133.02954	5.8
135.04541	7.4
135.08157	4.3
136.01639	1.7
137.02441	8.7
137.06071	2.0
137.09721	21.1
138.03207	1.7
139.03981	1.4
139.07635	4.2
139.11284	1.3
141.09166	1.5
147.04488	1.3
149.02397	2.4
149.06078	1.0
149.09705	1.1
150.03247	2.4
150.99142	1.5
151.00372	24.7
151.03984	3.8
151.11263	2.2
152.01151	3.6
152.04759	1.9
153.01967	1.2
153.05577	1.1
155.10779	82.5
161.02443	12.3
161.04552	1.0
163.07646	1.4
163.11243	3.4
164.04820	1.3
165.01953	1.2
165.05562	1.4
166.02713	88.3
167.03555	4.8
167.10706	2.9
169.12358	5.5
175.03969	2.7
177.01878	3.9
177.05475	1.0
177.09270	1.2
179.03522	5.3
179.10759	10.6
181.05063	98.6
181.12308	1.1
182.05388	1.4
190.06400	1.4
191.03441	1.8
191.05627	2.2
191.10750	6.2
192.04231	1.4
193.04976	2.0
193.12329	2.0
195.10286	6.4
197.11844	1.1
199.09753	58.4
205.05054	2.1
205.08687	2.5
207.06628	2.2
209.11879	1.8
213.11359	3.1
219.06450	1.1
221.04562	1.5
221.08035	1.2
223.09775	2.4
225.11328	2.8
227.12766	1.6
237.11290	2.4
241.10793	19.5
253.10803	5.3
254.27390	0.9
255.12434	5.7
283.11884	30.0
285.04095	2.9
323.07620	2.2
325.13068	1.8
343.13992	34.2
359.11288	2.5
373.12537	1.8
385.14960	1.6
387.10571	12.7
387.14618	2.2
388.11856	4.1
402.13171	12.3
403.13953	19.4
417.15527	100.0
418.15720	2.6
519.14935	2.5
565.19543	4.1
694.33447	1.6
695.34180	2.1
743.27838	1.2
756.41052	0.9
761.30231	35.8
762.30841	2.0
923.35779	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	923.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01885	5.6
68.99812	10.5
69.03069	1.0
69.03455	24.0
69.39668	2.5
71.01380	42.0
72.99281	1.0
73.02943	1.9
75.00896	0.6
83.01385	1.0
85.02952	7.5
87.00879	2.0
89.02441	55.2
93.03454	2.2
95.01371	3.8
95.05026	27.4
97.02979	1.0
98.22611	1.2
99.00902	0.9
99.04523	2.1
101.02441	40.8
107.03481	0.9
111.00883	15.6
113.02453	16.1
113.03240	1.1
115.64936	0.6
119.03506	25.1
119.04912	3.7
121.02956	97.6
121.06579	3.0
122.03294	1.1
123.04518	16.3
127.04007	8.8
131.03497	3.5
133.02849	0.8
135.04559	2.0
137.06085	1.8
139.00372	15.3
139.04002	1.5
143.03464	6.5
146.03641	0.7
147.04539	6.9
149.02448	5.1
149.04501	2.6
153.02052	0.6
153.05521	0.9
161.04552	10.5
163.03958	1.1
165.05566	17.3
179.05632	65.2
179.07126	8.9
181.05090	4.2
191.03502	3.5
209.04532	3.6
223.06104	47.7
224.06487	1.4
225.14955	0.8
241.07185	1.5
301.09366	0.9
333.08282	3.2
371.09805	52.7
372.10217	1.1
403.12430	100.0
404.12854	1.9
519.24414	9.2
807.86151	0.8
930.65802	0.8
934.18768	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01889	1.2
69.03456	26.2
71.01382	19.5
71.01780	0.9
72.99304	0.5
73.02952	0.6
82.20576	0.5
83.01368	0.7
85.02950	4.1
87.00878	1.6
89.02447	22.2
93.03455	6.7
95.01378	2.0
95.05015	0.7
97.02953	36.0
101.02447	9.3
105.03456	2.3
106.04304	0.5
113.02452	6.8
119.03503	7.2
119.05035	0.5
121.02947	0.9
121.06606	1.4
121.45235	0.5
123.04524	6.9
131.03458	0.7
141.01978	2.0
143.03502	1.3
147.04527	0.7
149.04796	0.7
149.06078	13.0
149.07205	0.8
161.02492	1.3
161.04558	1.1
165.04269	0.4
165.05629	0.5
167.07164	4.0
173.04605	0.9
179.05606	5.0
191.05560	0.9
193.05057	25.9
311.79486	0.5
330.83505	0.5
373.11398	100.0
374.11774	3.5
392.75391	0.4
527.14178	0.5
549.16663	0.7
682.89722	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01875	0.7
69.03454	19.7
71.01382	14.6
72.99331	0.4
73.02934	0.5
77.95901	0.2
81.03413	0.2
83.01377	0.8
85.02949	2.8
87.00863	0.9
89.02440	13.9
93.03461	5.0
95.01385	1.2
95.05051	1.1
95.05603	0.2
97.02947	29.9
98.03268	0.2
101.02441	7.3
105.03455	2.0
106.04232	0.3
107.05004	0.3
108.02152	0.4
113.02447	6.0
116.34815	0.2
119.02662	0.3
119.03497	5.9
119.04942	0.5
119.58676	0.2
121.02956	0.8
121.06601	1.1
123.04521	8.8
126.58851	0.3
131.03496	0.4
131.05042	0.3
134.03767	0.3
141.01907	1.5
143.03520	0.8
145.37640	0.2
147.04472	0.4
149.06071	8.4
161.04558	1.0
165.05524	0.3
167.03566	0.5
167.07129	4.0
173.04599	0.3
179.05577	1.9
193.05049	14.9
244.60526	0.2
267.44714	0.2
364.76791	0.2
373.11371	100.0
374.11752	1.3
389.10757	0.4
480.78491	0.2
523.75763	0.3
549.25189	1.2
650.19940	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	32.1
68.99815	73.1
69.03454	20.6
71.01378	29.5
73.02934	2.0
73.42525	1.2
83.01382	1.8
85.02946	7.5
87.00872	1.9
89.02444	22.4
89.02999	1.3
93.03477	3.3
95.01388	3.5
95.05004	2.0
96.96013	3.2
99.00893	1.5
101.02444	100.0
109.02919	1.6
112.01656	2.0
113.02441	12.2
119.03513	9.8
121.02963	4.3
123.04581	1.2
125.00703	2.7
127.04012	78.8
133.02870	1.6
133.55968	1.3
134.03712	1.3
135.04504	3.3
137.02437	1.4
143.03535	2.5
147.04492	2.5
149.00661	1.9
149.02417	6.5
150.03218	1.6
151.00389	1.3
151.04044	1.5
161.00706	1.6
161.02415	3.3
161.04523	1.4
171.04468	1.5
177.00133	2.7
179.03514	2.5
179.05557	2.1
181.05077	4.5
184.76007	1.5
189.71027	1.0
190.00899	1.6
191.05620	3.8
193.03285	1.2
194.36427	1.1
195.06671	1.2
197.70297	1.2
203.01707	3.5
204.02399	1.7
205.03261	3.5
209.02728	2.0
213.03812	1.2
221.02835	1.6
229.03302	3.9
231.05029	1.1
235.04297	2.5
243.06525	1.5
250.03085	1.4
257.02759	3.5
263.03775	1.3
265.05228	2.8
285.02060	7.2
289.05508	1.8
301.05380	1.3
313.05508	1.9
317.04984	7.0
331.06570	2.2
345.04416	6.6
345.08078	1.8
349.07513	2.1
377.06894	3.0
549.14392	2.8
577.13873	5.5
593.13373	4.8
607.14893	3.8
609.06592	1.8
609.16425	34.4
610.16882	1.8
621.13062	7.1
625.15991	5.5
653.15515	5.3
679.20819	3.1
697.14954	1.3
705.18427	2.1
857.25629	13.6
885.24884	57.0
886.24866	2.9
911.23352	2.3
928.42511	1.4
929.23621	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	4.4
71.01382	34.7
71.01778	2.0
73.02940	8.1
83.01395	3.9
85.02943	15.9
87.00883	3.5
88.98811	3.0
89.02454	14.9
93.03457	16.1
95.01380	4.5
95.05048	2.6
96.96009	25.3
101.02458	16.7
108.02131	2.7
109.02903	2.6
113.02448	15.7
116.92879	1.9
119.03541	3.7
121.02962	41.0
121.06561	2.3
121.68185	1.7
122.03756	1.9
123.04546	3.0
129.07156	3.7
130.04176	1.5
131.03528	3.0
133.02989	2.6
134.03705	5.0
135.04526	8.2
136.01721	2.0
143.03502	3.4
145.06645	3.8
147.04498	3.1
147.08148	4.4
148.05312	55.7
149.02422	3.5
149.06047	3.4
150.03235	10.5
151.00356	1.7
151.04068	2.2
153.01924	2.6
155.03493	2.3
156.47031	1.7
161.02434	5.5
161.04567	7.4
161.06026	2.6
162.03206	1.8
163.07645	46.1
165.01923	3.7
165.05556	11.9
173.04643	3.0
173.05960	7.9
175.03941	1.8
177.05588	2.4
179.03506	3.7
180.04228	1.8
181.05144	1.9
189.05566	2.0
191.05600	7.2
191.07124	4.4
195.06688	4.9
205.07260	2.6
217.40175	1.6
227.85321	1.6
241.05203	1.8
249.55200	1.9
269.04501	2.1
275.09174	7.9
281.54187	1.9
285.04019	9.5
286.04474	3.3
306.54852	1.8
344.11765	1.5
457.04272	1.8
471.18701	6.1
519.19965	2.3
549.14801	1.8
593.22345	5.4
637.21460	49.4
689.24316	6.6
707.25446	18.0
797.48999	2.1
869.30829	100.0
870.31464	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	931.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24512	1.2
71.24009	0.3
77.35827	0.3
83.01394	0.2
101.02456	0.3
107.01396	0.5
133.02946	1.4
149.02464	0.4
151.00323	1.2
173.04497	0.3
175.03992	0.8
191.05623	4.1
192.05949	0.9
199.04022	0.5
217.04985	0.5
256.03799	1.2
283.76895	0.3
283.98663	0.4
284.03265	26.8
285.04037	65.0
286.04385	1.5
327.05078	0.9
447.09311	100.0
448.09604	2.6
481.17197	0.5
628.63531	0.3
728.48035	0.3
788.21893	0.3
901.95135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.6953
Annotation	Unknow
Peak:m/z	Relative Intensity
66.87592	0.4
72.85894	0.4
98.21882	1.4
98.22566	1.8
157.56767	0.4
159.88698	0.4
224.47113	0.4
245.94440	0.4
295.91937	0.4
305.05844	0.4
407.33121	2.8
416.97833	0.4
455.35294	95.1
456.35687	2.4
933.69513	100.0
934.69690	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	935.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00342	0.8
71.01385	1.7
71.71952	0.5
76.62175	0.5
81.09237	0.5
83.01396	0.5
85.02925	0.8
99.00767	0.6
101.02447	0.9
107.01399	0.6
107.05016	1.5
109.02942	0.6
117.03485	1.8
133.02957	15.8
134.03734	3.9
135.04524	99.5
136.04881	1.1
149.02473	0.7
149.06116	0.8
151.00394	1.5
160.78351	0.5
161.02441	51.7
162.02760	1.3
168.85931	0.4
177.01903	0.5
177.05598	3.1
179.03490	80.7
180.03844	1.6
191.05588	1.0
200.04910	0.5
203.03572	1.2
211.03961	0.7
221.04579	2.4
231.26340	0.5
239.03476	0.6
240.04285	1.3
263.05588	0.9
268.03757	51.2
269.04510	20.4
270.04803	0.6
273.29816	0.5
311.05566	0.6
323.07703	24.9
341.08801	3.9
373.47668	0.6
431.09802	89.1
432.10156	1.7
433.09818	0.7
503.11945	100.0
504.12061	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	935.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
68.69672	0.6
69.40401	3.4
70.86220	0.7
71.01389	7.4
72.99307	0.7
73.02953	0.9
83.01386	1.1
85.02945	1.8
87.00896	0.8
89.02443	5.8
95.01405	0.8
96.96011	0.8
99.04523	6.4
101.02448	4.9
107.05032	0.9
109.02972	2.9
113.02448	3.2
116.92842	1.4
117.03458	0.9
119.03508	1.5
129.77225	0.7
131.03572	1.0
132.02173	1.7
133.02953	29.4
134.03743	8.3
135.04524	94.3
136.04883	0.7
137.02422	3.4
147.04570	1.1
148.05347	3.4
149.06079	15.9
150.03203	0.7
161.02443	100.0
162.02855	1.4
173.04597	0.9
175.04008	1.2
177.04012	1.6
177.05566	32.4
178.02766	1.5
178.05931	0.8
179.03491	89.2
180.03676	0.9
189.05428	0.9
189.12817	1.9
191.05606	2.3
203.03458	2.2
207.06599	0.8
207.13881	12.6
221.04533	37.3
233.04469	1.7
251.05582	18.6
251.10220	1.1
251.12849	17.7
257.85516	0.8
269.04453	1.3
278.72342	0.9
281.06647	33.4
282.07034	1.1
285.03992	3.8
341.08780	14.8
363.40088	0.8
431.19196	5.8
545.55652	0.7
549.23285	1.4
593.22351	57.8
594.22668	2.8
611.23773	1.5
773.28864	19.4
773.43378	1.0
774.29163	1.0
809.40680	0.8
935.31903	42.1
936.31836	2.4
959.29126	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67119	0.4
72.87705	0.4
74.16850	0.3
75.93269	0.3
78.98566	0.6
98.21838	1.2
107.01401	0.8
107.05117	0.4
117.03492	1.3
119.43807	0.3
133.02963	5.8
134.03731	1.1
135.04530	35.1
136.04817	0.6
149.02446	1.0
149.06049	0.6
151.00359	1.4
159.04477	0.5
161.02441	19.9
164.95868	0.3
172.05312	0.4
173.04529	0.5
177.05524	0.9
179.03499	25.9
180.03885	1.1
209.18318	0.4
211.94324	0.4
221.04512	1.1
239.03535	1.1
240.04265	2.2
267.02997	0.4
268.03760	60.3
269.04520	21.6
270.04568	0.8
277.76724	0.4
302.86313	0.4
311.05591	1.2
323.07687	8.4
341.08719	1.1
402.85114	0.4
431.09824	100.0
432.10321	2.3
433.10300	0.6
503.11935	34.9
504.12207	1.6
567.51251	0.4
765.30334	0.4
777.70544	0.3
794.27240	0.4
915.59851	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00322	0.3
69.11995	1.4
71.01385	0.5
83.01413	0.5
85.02943	0.5
89.02455	0.3
93.03457	0.6
98.21779	0.5
101.02441	0.4
106.83068	0.3
107.01411	0.6
117.03463	0.8
119.05016	0.8
123.03225	0.3
125.68020	0.3
133.02937	0.6
135.04495	1.2
136.62538	0.2
137.02481	0.3
149.02420	0.9
151.00342	2.2
151.03928	0.4
161.02460	1.4
165.01901	0.3
165.05635	0.3
171.04593	0.3
172.05293	0.6
173.04552	0.5
179.03494	0.9
181.01759	0.3
191.05583	1.2
195.06830	0.3
195.48628	0.3
203.54288	0.3
211.03952	0.4
235.16667	0.3
239.03448	1.1
240.04297	1.9
267.03070	0.9
268.03763	59.5
269.04514	23.1
270.04761	1.0
271.06107	2.7
311.05530	0.9
341.06329	0.4
431.09814	100.0
432.10126	4.1
433.10709	0.9
643.97595	0.3
647.18140	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	0.3
66.31934	0.3
67.01882	0.9
69.03458	35.6
69.24011	1.4
71.01382	10.1
72.99318	0.4
76.53027	0.2
81.03454	0.3
83.01392	0.8
85.02959	2.5
87.00861	0.3
89.02446	10.2
93.03516	0.4
93.07125	0.4
95.01394	1.4
95.04414	0.5
95.05032	10.5
97.02942	0.4
98.22646	0.4
101.02448	7.3
103.05552	0.4
106.04252	2.5
111.00837	0.3
113.02447	5.0
119.03512	4.7
119.04976	0.5
121.02961	3.3
121.06602	19.6
123.04517	2.2
129.27171	0.3
139.00381	3.0
139.04005	0.9
139.07666	1.8
143.03499	0.6
149.02377	0.3
161.02493	0.4
161.04532	0.5
165.05563	7.1
167.58739	0.3
179.05626	0.9
183.06660	2.5
191.05658	0.5
209.04556	4.1
242.07539	0.3
345.07700	0.6
345.11899	9.5
389.10889	100.0
390.11380	1.8
780.79956	0.3
860.19995	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.5474
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86976	4.5
71.05007	2.2
90.81209	1.5
98.21943	2.2
109.06590	5.0
111.04537	3.5
131.25909	2.0
134.41476	1.6
138.89311	1.5
145.35675	1.5
161.02432	2.5
173.84836	1.6
195.13866	2.6
201.47978	1.7
203.37814	1.6
245.19063	4.3
289.18100	100.0
307.19165	24.0
752.24243	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	941.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01892	1.2
68.99825	0.5
69.03459	30.9
71.01382	23.5
72.99306	0.6
73.02946	0.7
79.01904	0.4
81.03421	0.7
83.01390	1.1
85.02958	5.1
87.00865	1.1
89.02448	23.8
93.03461	8.1
95.01398	2.2
95.05019	1.2
97.02954	46.5
101.02450	12.7
101.02977	0.2
105.01967	0.4
105.03457	2.8
105.07108	0.4
108.02135	0.6
113.02453	9.3
115.50397	0.5
119.03507	8.7
119.05022	1.0
121.02959	1.2
121.06593	1.8
123.04520	9.7
131.03529	0.9
131.05013	0.7
134.03703	0.4
137.06119	0.4
141.01950	1.7
143.03505	1.2
147.04539	0.7
149.06090	18.6
150.06491	0.3
155.03413	0.6
161.04565	1.3
167.07141	5.8
179.05603	3.8
186.88347	0.3
193.05063	34.5
198.54622	0.4
211.06244	0.5
225.07637	0.5
373.11392	100.0
374.11862	2.0
553.66583	0.4
703.25769	0.5
865.68402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
69.91922	0.6
70.27616	0.9
70.27942	0.9
71.01382	16.4
73.02942	6.8
83.01385	1.3
85.02964	3.9
87.00869	1.2
89.02442	15.9
89.03008	0.8
92.47775	0.6
93.03443	1.0
94.91507	0.7
95.01390	0.8
95.05061	0.9
96.96018	0.7
97.02919	1.5
98.71244	0.7
99.00873	10.4
99.04466	0.7
101.02449	11.8
109.02973	1.5
113.02459	4.4
119.03515	1.2
121.10252	0.8
123.04565	0.8
125.02467	1.2
127.03996	1.0
131.03490	2.8
133.03008	0.6
135.04549	1.8
149.04559	3.9
151.00377	0.8
153.01941	1.7
159.03117	0.6
159.04573	0.8
161.02454	2.3
161.04581	2.2
173.04507	2.2
179.03467	0.8
183.10263	1.1
191.05618	6.9
193.05045	0.9
285.03784	0.9
301.16833	0.7
323.07547	0.8
345.10815	0.9
357.15393	0.7
463.22430	0.8
477.19742	100.0
478.20145	2.0
490.03412	0.7
920.96008	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01878	2.5
68.99818	4.8
69.03460	9.8
71.01381	25.1
73.02953	4.4
73.47258	0.5
76.23374	0.7
83.01385	3.3
85.02955	7.8
86.00090	0.8
87.00888	1.3
89.02444	22.9
93.03454	1.2
95.01392	2.4
95.05031	10.1
99.00881	1.6
99.04503	0.8
101.02442	25.7
102.02792	0.9
108.02230	0.8
111.00888	7.3
113.02451	11.1
114.02778	0.8
117.23652	0.6
119.03500	9.2
119.05025	2.1
121.02961	44.3
121.06627	1.4
122.03209	0.8
122.03788	1.8
123.04516	8.3
125.02416	0.6
127.04009	4.6
132.02130	0.8
133.03004	3.6
134.03752	0.8
135.04536	4.0
137.02457	0.8
137.06062	1.1
139.00372	6.6
139.03963	0.8
143.03487	2.2
147.04530	3.3
149.01262	0.8
149.02448	11.9
149.06053	2.1
150.03227	20.6
151.03838	0.6
153.05594	0.6
161.02484	1.0
161.04579	3.3
164.04813	2.8
165.05566	24.6
166.06339	2.0
167.07065	0.7
167.65268	0.6
175.16280	0.6
175.80016	0.6
179.05617	18.2
179.07138	4.4
180.04431	0.9
180.05994	1.8
181.04956	1.1
181.08713	5.2
191.03516	1.2
195.06618	5.1
209.04431	1.0
223.06107	13.3
224.06544	1.5
314.11505	2.7
327.98126	0.6
329.13922	11.4
333.08109	0.9
343.13913	5.0
371.09811	13.9
372.10126	2.4
373.10327	1.2
384.38013	0.6
403.12408	16.5
404.12918	3.2
405.13370	1.6
491.19232	60.8
492.19159	1.1
521.20251	0.8
539.21381	100.0
540.21619	2.8
943.28540	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01868	0.2
69.03451	32.5
69.35329	0.9
71.01379	10.0
72.99320	0.2
73.02940	0.5
81.03468	1.2
83.01366	0.7
85.02954	1.9
86.67524	0.2
87.00869	2.0
89.02440	8.2
93.03459	0.9
95.01397	0.7
95.05022	15.8
96.96056	0.2
97.02921	0.3
97.06571	0.3
99.04513	5.6
101.02435	5.0
107.05025	7.2
109.06565	1.5
113.02441	17.9
119.03493	3.2
121.06583	0.4
125.06089	2.3
131.03491	0.3
131.35809	0.2
133.06580	1.1
135.04524	0.5
143.03496	0.4
151.07634	7.1
155.03413	0.3
161.04535	0.6
169.08690	12.5
178.47998	0.2
179.05617	0.8
191.05576	0.3
195.06619	0.7
213.07669	28.3
214.08051	0.3
222.53082	0.2
262.32407	0.2
306.09274	0.2
373.11133	0.3
375.12915	100.0
376.13242	1.4
389.32193	0.2
567.26459	0.9
634.99585	0.2
648.76276	0.2
726.10114	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.7398
Annotation	Unknow
Peak:m/z	Relative Intensity
68.29514	0.2
98.21881	0.4
100.05416	0.2
115.07639	1.2
116.53400	0.2
148.49416	0.2
211.83093	0.2
218.54907	0.2
246.06946	0.2
355.32248	0.6
407.33182	0.9
455.35281	100.0
456.35648	2.8
760.60828	0.2
864.41278	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01894	0.3
68.85629	0.3
69.03444	1.1
71.01379	1.6
81.03463	0.5
89.02434	1.6
90.86624	0.3
91.01898	9.7
93.03484	0.4
95.01373	0.4
95.04993	0.4
101.02444	0.8
107.39189	0.3
108.02177	7.1
109.02982	0.5
111.00880	0.8
113.02454	0.4
119.03533	0.4
123.04528	28.6
124.01675	0.4
125.02444	0.6
127.03986	0.4
133.02928	0.5
133.06590	1.1
135.04509	0.7
137.32010	0.3
139.00336	0.3
147.89005	0.3
151.00386	0.4
151.07687	0.6
152.01154	6.7
161.02408	0.7
167.03499	100.0
168.03836	0.7
173.04514	0.3
177.05548	0.9
179.03728	0.2
179.05611	0.6
184.59413	0.3
191.05592	0.9
241.07117	0.3
269.04391	0.4
270.88763	0.3
284.03302	0.3
285.04108	0.8
357.11902	2.7
447.09576	0.7
513.19946	0.3
525.16107	8.4
953.33069	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67844	0.6
71.01385	2.1
73.02945	0.5
79.07034	0.3
85.02964	0.9
85.68997	0.4
89.02439	0.9
95.04942	0.4
97.02938	0.6
101.02415	1.8
105.03440	0.8
107.05029	0.6
115.01949	0.4
117.03458	2.0
119.03431	0.4
123.04575	0.6
132.02141	2.5
133.02956	39.9
134.03751	1.5
135.04524	15.9
143.03572	0.4
149.06055	0.6
161.02443	100.0
162.02765	1.1
166.85558	0.3
177.05600	0.8
179.03497	8.2
221.04640	0.8
281.06619	0.6
383.09842	0.9
584.17059	0.4
955.43280	35.0
956.43738	1.8
963.35260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01892	43.5
68.93732	1.3
68.95328	1.3
68.99815	35.1
69.03455	41.6
69.25485	3.1
69.25893	3.6
69.87310	1.2
71.01381	26.4
75.11608	1.3
76.47784	1.2
83.01359	1.5
85.02938	6.3
88.47414	1.4
89.02438	20.6
92.05039	1.9
93.03445	3.9
95.01373	3.6
95.05022	3.2
97.02953	1.5
98.21858	2.3
99.00840	2.8
101.02441	43.2
112.01689	2.3
113.02444	7.5
116.92843	1.8
119.03492	2.9
119.05039	1.5
121.02952	4.0
122.02443	2.0
125.02373	1.4
127.04015	100.0
129.01959	1.8
131.03731	4.7
132.04539	7.1
133.02977	3.9
134.03694	1.9
134.06097	1.7
135.04535	7.9
144.04530	6.1
145.03004	1.5
147.04507	2.6
149.02443	3.8
150.03223	7.7
151.03989	1.7
155.03445	1.7
157.07710	4.9
161.02454	7.1
163.03987	6.5
164.04848	1.6
165.05566	6.9
167.06105	10.8
173.04526	1.7
175.03995	1.4
177.05576	1.5
178.02718	1.4
179.03474	3.0
181.05005	3.6
181.07568	1.4
182.10782	1.4
183.05690	3.3
185.07181	3.7
191.05617	3.1
193.05026	1.4
195.02579	1.4
195.06619	4.0
199.04004	1.8
256.07288	1.8
269.04385	3.4
270.08685	1.8
285.04083	7.3
285.07202	1.4
287.08359	1.9
301.10419	2.4
331.10733	2.2
341.09647	1.6
359.14737	1.7
373.11755	2.1
391.12964	1.8
401.11227	2.3
419.12555	4.1
535.92139	1.4
595.13611	1.5
625.20709	3.2
651.21631	3.2
673.21783	1.7
683.24329	7.6
695.21313	2.0
727.24042	8.5
765.24805	3.3
959.32904	86.6
960.32935	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	963.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16840	0.5
69.17245	0.7
71.01377	0.7
73.02979	0.2
81.03461	0.4
83.04999	0.3
85.02943	4.0
87.00864	1.2
89.02447	0.2
93.03456	3.2
99.04487	0.3
101.02429	0.3
105.03456	0.5
106.97311	0.2
107.05003	1.0
109.02954	0.6
111.04494	1.6
113.02492	0.2
117.03412	0.3
119.05030	0.4
127.04019	1.7
129.01967	0.3
131.35352	0.2
133.02957	4.7
134.03757	3.6
135.04520	48.8
136.04857	0.6
146.95476	0.2
149.02472	0.3
151.00401	0.5
155.03473	1.4
161.02440	6.1
173.04544	4.4
177.01953	1.2
179.03488	42.7
180.03879	0.6
181.05016	0.3
191.05602	93.0
192.05960	1.0
255.06630	0.5
284.03265	2.4
285.04016	6.1
286.04294	0.5
335.07678	0.9
351.07318	1.8
352.07593	0.9
353.08762	100.0
354.09061	1.5
355.08926	0.3
447.09332	1.9
514.09991	0.3
515.11908	10.6
591.82062	0.2
963.21021	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95900	24.1
82.28067	0.2
88.15987	0.2
95.22486	0.3
96.96939	1.9
97.33392	0.3
98.21852	0.6
111.87629	0.3
152.99588	35.1
171.00636	9.9
186.22418	0.3
227.03300	2.3
234.05113	0.3
245.04295	49.1
246.04703	0.3
253.21722	21.3
254.21796	0.3
481.25705	100.0
482.26047	1.6
708.09088	0.3
760.61554	0.3
772.18475	0.3
884.01019	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.272
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36189	1.0
71.01377	0.8
76.95451	0.2
85.02970	0.5
89.02417	0.3
90.79928	0.2
93.03457	1.3
101.02442	0.7
105.03471	0.3
107.01387	1.3
117.03461	6.3
119.05011	1.5
121.02946	0.6
123.04570	0.2
133.02980	0.7
135.04509	1.1
145.02956	8.4
147.04431	0.3
149.02443	2.3
151.00371	1.0
159.04539	1.3
161.02451	2.4
162.02789	0.3
163.03989	0.8
169.06406	0.5
171.04520	0.3
179.03505	0.8
180.05807	0.4
181.06558	0.3
183.04530	1.0
187.03993	0.3
191.05641	0.5
196.05243	0.4
197.06059	0.8
201.05643	0.7
203.07114	0.7
213.05734	0.3
224.04800	0.5
225.05589	1.1
227.03583	0.4
232.58789	0.2
240.04407	0.3
245.33507	0.2
255.06570	0.4
257.08261	0.4
268.03772	4.0
269.04538	100.0
270.05014	1.3
283.06204	1.3
283.09003	0.2
285.04004	1.0
307.08286	0.9
309.11160	0.4
311.05545	0.4
312.23386	0.2
325.10233	0.4
341.08755	0.4
353.10269	1.3
353.14056	0.2
391.10382	0.5
413.08575	1.2
431.09830	2.5
445.11441	0.6
515.15802	1.4
577.13531	23.8
578.13623	0.4
579.11890	0.3
593.13397	0.4
611.14014	1.2
621.12347	2.5
661.15735	1.2
683.14099	0.7
715.16650	1.7
753.18896	0.3
785.20862	2.5
964.48859	0.4
965.49707	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03460	0.3
71.01393	0.5
72.99308	0.2
73.04142	0.1
83.01434	0.2
85.02944	0.3
87.00901	0.1
89.00340	0.1
89.02438	0.2
93.03458	0.8
99.00852	0.2
101.02460	0.6
105.03496	0.2
107.01385	1.5
113.02425	0.2
116.92904	0.2
117.03467	7.1
119.03540	0.2
119.05025	1.8
121.02958	0.4
123.04549	0.2
133.02966	1.3
134.03743	0.1
135.04495	1.0
137.02400	0.1
145.02951	9.8
147.04509	1.7
149.02438	1.3
151.00357	1.2
153.05615	0.2
155.03580	0.2
159.04501	1.0
161.01114	0.1
161.02441	2.8
163.04018	0.9
165.05566	2.7
169.06546	0.4
171.04576	0.2
173.04581	0.2
173.06052	0.3
175.04050	0.2
179.03493	0.5
180.05827	0.2
181.06575	0.3
183.04523	0.4
187.04047	0.2
191.05559	0.3
191.07202	0.1
196.05330	0.2
197.06039	0.7
199.04033	0.5
201.05641	0.5
203.03563	0.2
203.07133	0.2
224.04713	0.3
225.05540	1.3
227.03502	0.4
240.04303	0.2
241.05032	0.2
255.02992	0.2
255.06609	0.1
267.03159	0.1
268.03790	2.4
269.04532	100.0
270.04858	1.2
283.02536	0.2
283.05991	0.2
284.02975	0.3
285.04037	6.5
285.13446	0.1
286.04337	0.2
307.08139	0.9
311.05679	0.2
320.76373	0.1
345.09882	0.1
353.10120	0.2
383.09824	0.2
391.10205	0.3
395.48331	0.1
413.08475	0.1
429.14001	0.4
431.09802	1.0
485.13132	0.7
515.15411	0.2
577.13361	40.2
578.13635	1.0
609.12787	0.2
611.14203	0.2
621.12042	0.3
661.15472	0.5
670.31580	0.3
679.22632	0.8
681.21509	0.2
715.16602	0.2
785.20502	0.5
965.23322	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	1.2
69.03448	0.7
71.01376	2.5
71.43513	0.4
73.02972	0.4
74.22044	0.4
81.03448	0.6
83.04997	0.6
85.02946	5.9
87.00871	1.4
89.02441	0.8
93.02902	0.3
93.03457	7.3
96.14810	0.4
99.04505	1.5
101.02457	0.8
107.05038	1.1
109.02934	0.6
111.04520	4.0
117.03411	0.4
121.02868	0.4
127.04001	1.5
133.02957	5.2
134.03775	4.0
135.04526	64.7
136.04832	2.0
137.02458	2.4
154.77119	0.4
155.03514	4.6
161.02438	14.1
162.02780	0.6
165.05464	0.4
173.04555	27.5
174.04854	0.7
177.02002	1.1
179.03496	65.8
180.03812	2.2
188.86844	0.4
191.05608	100.0
192.05951	2.1
193.06044	0.9
207.13821	0.9
209.11852	1.5
225.15099	0.6
251.07487	0.4
251.12971	0.5
255.02974	0.6
269.13925	3.9
283.02435	0.6
284.03275	2.0
285.04047	3.3
299.05502	0.5
323.05237	0.4
335.07663	3.4
351.07178	1.0
353.08762	99.6
354.09085	4.0
355.09262	0.8
447.09305	4.0
449.14105	0.6
449.20279	12.0
450.20709	0.8
458.11218	0.7
510.75125	0.4
513.10382	0.7
515.11920	58.8
516.12384	2.3
517.12372	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	965.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70531	1.2
69.70880	2.1
72.72012	0.9
78.95905	33.0
96.96955	2.7
119.34153	0.8
150.97963	0.8
151.40172	0.7
152.98332	1.5
152.99594	45.8
171.00647	11.5
227.03230	4.8
245.04300	46.3
246.04633	2.8
247.04697	1.8
253.19096	1.2
253.21715	17.2
254.22058	2.4
255.23300	100.0
256.23630	1.7
318.97986	0.7
355.81192	0.7
481.25732	80.2
482.26117	10.7
483.27246	78.1
520.06927	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01910	1.0
68.99810	2.0
69.03455	1.7
69.74640	1.9
71.01392	4.6
73.02950	20.1
82.40260	0.8
83.01388	15.5
83.05059	1.0
85.02941	4.8
87.04514	4.0
89.02445	2.3
93.03456	1.9
95.01411	1.8
95.05020	2.2
97.02931	1.9
97.06594	1.2
98.22595	0.9
101.02449	11.1
107.28001	0.9
109.02925	2.6
109.06593	2.5
113.02459	3.1
119.03490	0.9
121.02970	1.3
123.00872	2.7
123.04492	2.1
125.02442	3.1
127.07666	1.2
127.15906	1.0
133.02963	1.7
134.03644	0.9
135.04538	3.6
137.02444	11.9
137.06049	1.2
137.09743	1.0
138.03270	1.6
139.04047	1.4
139.07687	1.3
139.11284	22.9
145.02995	1.0
149.02449	2.7
150.03214	1.7
151.00374	26.5
151.04010	2.4
151.11272	2.8
152.01120	4.8
152.04816	2.4
155.03473	1.9
159.04434	1.0
161.02489	3.5
163.03972	1.2
163.11295	2.2
165.01984	1.4
165.09200	2.1
166.02715	88.5
167.03534	4.9
167.10732	2.1
169.12332	6.0
175.03979	2.2
176.04720	0.8
177.01920	3.0
177.05586	0.9
179.03496	2.5
179.10797	4.3
181.05067	100.0
181.12354	8.2
183.10263	26.7
188.54945	0.9
190.06345	2.6
191.03528	1.9
191.05571	1.9
192.04297	1.8
193.04869	1.4
195.13921	1.5
197.11835	5.0
199.13414	3.4
205.05042	1.1
205.08652	2.4
207.06682	1.8
207.10255	1.4
219.06583	0.9
225.11322	26.2
226.96613	0.8
231.10254	1.6
239.12842	1.4
243.12363	21.3
249.11311	3.5
263.12659	1.1
267.12354	3.4
269.04642	3.6
269.76038	0.9
285.04013	3.4
285.13516	3.8
291.12369	4.6
297.13574	1.3
309.13531	1.8
315.14536	1.0
327.14551	7.1
339.08630	1.0
341.10257	0.9
356.12369	0.9
359.11380	1.8
372.12253	1.7
387.10864	15.6
387.16562	21.0
388.11566	4.3
393.15576	1.8
402.13162	13.0
403.13953	19.4
417.15549	82.6
418.16025	2.0
565.19708	3.6
745.28168	1.3
769.30255	1.2
787.31519	1.7
805.32898	36.9
806.33862	1.1
949.35431	1.2
966.65698	1.0
967.38196	59.4
968.38232	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	971.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99844	1.6
69.03468	1.5
71.01379	3.2
73.84118	0.4
81.03462	0.6
85.02956	1.3
89.02448	4.0
93.03473	5.6
95.01397	1.5
95.05061	0.8
97.02937	0.5
101.02441	2.9
107.05043	0.7
107.32595	0.6
108.02208	0.7
109.02945	1.2
113.02452	1.3
119.03514	1.5
121.02968	7.2
122.03745	17.1
122.04625	1.0
123.04532	3.9
124.01716	1.3
132.02202	0.9
133.02982	3.0
134.03748	3.7
135.04558	2.0
136.01668	5.9
137.02452	8.3
138.03233	0.6
143.03548	0.6
145.02919	0.8
146.03746	1.6
147.04550	0.7
149.02451	28.4
149.06088	4.2
150.03229	100.0
151.00356	2.2
151.04010	15.8
152.01160	0.6
152.04803	2.1
152.98073	0.6
153.05612	0.8
154.99718	0.5
155.03549	2.4
159.04480	0.6
161.02434	1.8
161.06047	0.9
162.03201	1.8
163.04068	1.4
164.04794	7.1
165.01958	2.8
165.05568	82.6
166.02718	7.5
166.06137	0.6
167.03465	1.6
169.22565	0.5
173.04663	0.5
174.03311	0.6
175.04015	1.7
176.04744	0.8
177.01927	1.0
177.05536	3.2
178.02704	0.8
179.03539	1.1
179.05588	4.9
179.07137	6.9
180.04279	7.1
181.05055	10.4
182.11154	0.5
187.04024	1.3
190.06406	0.8
191.03517	1.0
191.05562	1.4
192.04262	1.0
193.05029	3.5
195.06627	36.2
205.05025	2.7
207.06631	0.9
209.11819	5.7
219.06613	1.8
220.07475	2.6
225.07625	1.9
227.12903	1.3
269.04590	0.7
282.05347	0.6
285.03958	0.9
315.08658	0.7
329.10159	1.6
329.97281	0.5
337.95511	0.5
355.10385	1.5
369.13309	0.7
371.11234	0.8
373.11478	0.9
387.10162	1.1
387.14236	2.0
388.11188	0.7
403.13727	0.6
416.14847	0.9
417.15564	6.5
449.14133	0.7
511.14584	5.1
520.16833	1.0
535.15765	1.1
550.18286	1.3
564.19763	1.5
565.20819	17.8
577.20190	0.6
581.18549	1.4
595.21783	4.1
612.21893	1.0
613.13654	0.6
613.22919	10.9
619.21545	1.6
667.23621	2.1
685.24500	0.7
713.26056	14.4
725.26160	0.8
743.26886	9.2
761.28174	22.8
773.27728	2.2
791.29279	7.7
809.30316	29.7
810.29718	0.7
991.63782	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48724	1.3
71.01378	1.6
80.92262	0.3
85.02934	0.8
87.00820	0.4
89.02444	1.8
93.03457	4.9
95.01392	0.6
95.14686	0.3
96.96043	0.4
98.21912	0.6
101.02459	0.7
102.34595	0.3
105.03478	0.7
108.02184	0.5
109.02972	1.0
112.59258	0.4
113.02456	0.6
119.03501	0.6
120.02824	0.3
121.02958	4.9
121.22491	0.3
122.03742	15.4
123.00894	0.6
123.04507	1.4
124.01677	0.7
133.02946	2.7
134.03673	0.6
135.04521	1.7
136.01659	2.2
137.02443	2.0
146.03761	1.2
149.02444	16.0
149.06056	0.8
150.03223	100.0
151.00362	2.3
151.04041	2.7
152.01134	0.4
155.03503	0.5
161.02411	1.9
161.06003	0.5
162.03194	1.5
163.04225	0.3
164.04805	3.5
165.05565	96.1
166.02713	5.2
166.05873	0.6
173.04565	0.6
175.03975	0.8
177.01820	0.5
177.05576	1.3
179.03496	0.9
179.05644	0.6
179.07112	3.5
180.04285	6.3
181.05061	6.9
183.30424	0.3
191.05598	1.3
195.06615	60.4
196.06917	0.6
205.05069	0.8
219.06778	0.6
220.07475	0.4
221.08167	0.4
223.45650	0.4
241.05025	0.4
269.04529	3.9
270.40317	0.3
283.02481	0.5
284.03113	0.6
285.04041	6.9
286.04431	0.5
334.43616	0.3
387.10315	0.7
387.14502	1.7
402.13165	0.8
417.15558	8.4
449.14328	0.8
532.62091	0.3
550.18018	0.4
565.20935	5.3
583.21826	0.4
595.22296	1.8
613.22858	13.9
667.23657	1.4
685.25964	0.4
713.25452	0.7
743.26544	0.7
761.15375	0.5
761.28021	6.5
773.24554	0.5
791.29114	2.1
809.30219	21.2
810.30664	0.6
971.35803	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.356
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99809	0.3
69.03428	0.4
69.94220	0.9
71.01378	1.8
85.02931	0.6
86.24017	0.3
89.02438	1.9
93.03463	3.7
95.01414	1.0
96.96000	0.5
98.21941	0.4
100.37268	0.3
101.02451	1.4
101.45898	0.3
105.03485	0.4
107.04984	0.4
108.02164	0.6
109.02964	0.9
113.02447	0.8
119.03482	0.6
121.02964	4.8
122.03739	14.8
123.00836	0.4
123.04552	1.5
124.01665	0.4
133.02972	2.3
134.03737	2.1
135.04543	1.6
136.01669	3.1
137.02437	3.4
138.03230	0.6
145.02924	0.7
146.03732	1.4
147.04469	0.4
149.02444	19.1
149.06099	1.1
150.03226	100.0
151.00412	2.1
151.04016	6.7
152.01170	0.5
152.04817	1.5
153.01942	0.4
153.05440	0.3
155.03519	0.5
161.02448	1.8
162.03217	2.0
163.04062	0.6
164.04791	4.4
165.05569	95.1
166.02710	5.8
166.05946	0.5
173.04674	0.3
175.03938	0.8
176.04739	0.3
177.01900	0.4
177.05550	1.9
179.03596	0.6
179.05624	0.9
179.07137	4.8
180.04292	7.1
181.05067	9.4
187.04007	0.7
190.06386	0.4
191.05551	0.4
193.05054	0.7
195.06625	51.8
196.07022	0.6
203.03561	0.3
205.05101	2.2
206.05794	0.4
219.06593	1.3
220.07417	1.7
221.08022	0.5
279.06619	0.3
282.05408	0.5
284.03214	0.6
285.04111	3.5
315.08926	0.3
329.10504	0.7
353.14859	0.3
387.10562	1.0
387.14578	1.3
402.08362	0.3
402.13123	1.4
403.13785	0.6
404.84589	0.3
417.15515	6.7
511.14331	0.6
535.16479	1.1
550.18066	0.7
564.19653	0.4
565.20801	14.2
566.21051	0.6
595.21521	2.4
613.22827	10.5
667.23724	1.7
713.25775	2.2
725.25403	0.4
743.26282	1.7
761.28070	15.4
762.28229	0.4
773.27350	1.2
791.29486	3.9
809.30298	22.1
810.30371	0.6
923.33167	0.7
971.33655	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	979.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	0.8
71.01381	23.0
71.43677	0.5
73.02930	0.6
78.38729	0.6
79.47482	0.4
83.01371	0.9
85.02946	3.0
87.00865	0.8
88.25928	0.5
89.02442	6.9
93.03484	1.0
95.01363	0.8
101.02441	6.6
111.04480	0.5
113.02451	2.8
119.03483	1.5
133.02940	0.8
135.04500	1.6
135.08141	0.7
136.05263	0.7
139.10124	0.5
149.06070	2.3
150.06868	27.5
161.02434	2.2
162.06848	4.5
163.07646	14.6
164.08400	3.8
173.04521	0.6
176.08391	1.4
177.09248	3.2
178.09975	1.3
179.10759	9.1
191.05618	2.6
251.23830	0.5
269.04443	1.0
285.03952	1.6
293.24573	0.6
295.22781	1.5
313.23788	1.3
371.14679	0.6
413.33914	1.0
416.33038	2.3
430.34467	1.2
431.35272	3.6
432.32590	2.4
446.34116	2.8
447.34836	7.0
456.32913	0.5
457.33331	1.4
473.32629	1.0
474.33447	10.1
475.28488	0.7
475.34348	9.5
476.34894	0.5
491.33871	1.1
492.34378	2.2
493.35309	10.2
636.38654	2.2
637.39410	2.6
653.39508	1.1
654.40002	0.7
655.40887	2.9
799.44879	1.6
817.46613	2.9
979.51196	100.0
980.51050	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	981.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99790	0.2
71.01371	1.5
73.02940	0.5
78.65298	0.2
79.05334	0.2
83.01391	0.9
85.02949	0.6
85.26666	0.2
93.03461	0.9
95.01369	0.5
101.02451	0.9
105.03458	0.7
107.01377	1.8
109.02921	0.7
111.04533	0.2
113.02486	0.5
117.03461	3.8
119.05049	1.7
121.02933	1.2
123.04495	0.3
125.02441	0.4
133.02956	6.0
134.03809	0.4
135.04523	1.2
136.01649	0.5
145.02945	6.8
147.04567	0.3
149.02440	1.7
150.03244	0.3
151.00371	3.5
151.03972	0.5
155.03481	0.2
159.04478	0.2
161.02414	1.3
161.06007	0.2
163.04063	0.4
165.01886	0.4
169.06386	0.2
171.04503	0.8
173.06166	0.3
175.04007	2.0
177.01949	0.6
179.03482	0.6
185.06099	0.6
187.04004	0.8
189.05562	0.4
191.05646	0.8
197.06090	0.6
198.03195	0.4
199.03978	2.0
201.01958	0.7
203.07135	0.4
211.03970	0.3
213.05539	0.4
215.03485	0.8
217.05029	1.4
225.05482	0.2
229.05043	0.3
239.03531	0.4
241.04948	1.0
243.03091	0.3
255.02962	0.6
255.06787	0.3
256.03827	1.1
257.04514	0.5
267.02994	0.4
269.04523	3.3
277.62454	0.2
283.02560	0.3
283.05988	0.4
284.03259	15.7
285.04025	100.0
286.04465	1.3
299.05563	1.9
311.02002	1.9
311.05301	0.3
323.07718	0.4
327.05328	0.4
339.08777	0.6
353.10254	0.6
357.13303	0.2
400.80219	0.2
403.13193	0.5
429.08237	0.8
447.09244	4.7
461.20148	1.2
475.08817	0.9
479.21243	1.2
496.23639	0.2
593.12970	33.5
594.13440	0.8
595.10785	1.5
605.12769	0.6
607.14417	0.2
609.12701	1.9
621.12439	0.7
627.13348	1.5
635.13959	1.1
637.12140	1.3
677.15198	1.8
699.13562	2.2
725.19177	0.4
729.18030	0.5
731.16229	0.7
741.18011	0.5
751.17499	0.5
769.17712	3.4
783.19073	0.5
801.20319	4.2
981.26855	3.0
981.52362	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40520	1.4
69.80496	0.3
71.01383	1.4
83.01387	0.5
85.02990	0.4
93.03469	1.0
95.01412	0.3
98.22636	0.6
101.02428	0.9
105.03425	0.5
107.01393	2.0
109.02951	2.0
113.02386	0.3
117.03465	6.3
119.05035	1.1
121.02946	1.1
123.04506	0.5
132.02130	0.5
133.02953	13.0
134.03806	0.7
135.04529	9.8
137.02464	0.6
145.01862	0.5
145.02953	5.6
146.03775	0.4
147.04503	0.6
149.02473	2.6
149.06073	0.7
151.00351	4.9
157.06593	0.3
159.04500	1.7
161.02443	31.4
162.02917	0.3
163.04015	0.9
165.05635	0.3
169.06592	0.6
171.04509	0.6
173.04559	0.4
173.06035	0.5
175.03963	2.1
177.01877	0.7
177.05565	2.4
179.03502	6.8
181.06581	0.6
183.04416	0.5
185.06027	0.5
187.03973	0.8
189.05565	0.6
190.44618	0.3
191.05594	0.9
195.04591	0.3
196.05338	0.4
197.06091	0.8
198.03104	0.4
199.04008	2.0
199.94073	0.3
201.01935	0.4
201.05534	1.0
203.03552	1.0
203.07265	0.4
211.03883	0.5
213.05431	0.3
215.03555	0.5
217.05054	1.1
219.06654	0.7
221.04579	1.9
224.04784	0.6
225.05595	1.8
227.03494	1.0
240.04189	0.5
241.05090	0.8
243.03069	0.5
245.04590	0.4
255.03024	0.7
256.03635	0.7
257.04541	0.5
263.05414	0.6
267.02893	0.6
268.03769	2.5
269.04535	83.6
270.04791	1.4
280.05823	0.4
283.02420	0.5
283.05945	0.4
284.03259	11.7
285.04034	76.8
286.04428	1.1
299.05499	1.6
311.02182	1.8
323.07739	10.7
327.05170	0.5
339.08743	1.2
407.09860	0.6
439.42715	0.4
447.09363	3.7
453.00925	0.3
475.08920	0.6
523.45959	0.3
531.14673	0.4
559.78815	0.3
593.12970	100.0
594.13330	2.5
595.10840	0.6
605.13531	1.0
609.12335	1.1
621.12592	1.1
627.13940	0.6
635.14050	1.0
637.12140	0.6
647.13391	0.5
677.15295	3.3
699.13507	1.6
729.18042	0.5
751.16522	0.7
769.17761	2.1
783.19012	0.9
801.20227	7.9
802.20532	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99799	4.0
69.03435	2.2
69.25518	8.8
69.25831	2.0
71.01362	9.7
79.01907	1.9
81.03436	4.6
83.01389	6.0
85.02958	3.1
87.00847	1.6
89.02442	3.8
93.03461	14.4
95.01353	2.5
95.05027	2.5
97.02942	7.2
99.00893	2.2
101.02457	6.6
103.01783	1.5
105.03438	2.5
107.01373	7.3
107.05009	1.9
108.02164	4.0
108.79116	1.6
111.00899	3.1
111.04520	3.9
113.02449	5.2
119.05013	2.2
121.02952	10.1
123.00862	3.2
123.04530	10.4
125.02452	17.6
127.04016	21.7
133.02950	12.6
135.04523	14.5
137.02461	11.5
137.06134	3.5
139.03984	4.6
145.02950	1.7
147.04535	2.9
149.02420	7.2
149.06068	1.9
150.03261	4.8
151.00352	4.9
151.03989	5.2
152.01115	3.4
153.05562	14.9
155.03534	2.8
161.02411	14.3
161.06104	3.1
163.03996	4.7
165.01909	5.6
165.05573	3.8
167.03494	23.7
173.04558	10.9
173.05891	2.9
175.04015	2.1
177.01904	7.4
177.05533	2.7
179.03493	19.5
181.05101	2.2
182.02162	1.9
189.01920	5.1
191.03506	6.8
191.05608	15.3
193.01379	6.9
193.04945	1.6
197.04524	7.3
203.03540	3.1
205.01369	3.6
205.05055	7.9
207.02974	3.7
209.04527	28.6
215.03539	1.6
217.05005	2.8
218.35016	1.8
219.03018	3.9
219.06483	2.5
221.04527	3.7
229.05058	3.1
232.03700	2.4
233.04512	8.6
235.02473	16.9
239.05585	17.5
249.04161	2.0
255.06531	1.8
259.05957	2.5
261.04019	23.0
265.03528	8.8
268.03751	11.9
269.04343	3.9
269.06888	4.2
273.03958	4.7
273.07510	1.9
281.04480	1.7
284.03293	3.9
285.04037	12.9
291.05078	26.0
295.04510	2.3
303.05008	3.2
321.06094	6.5
339.05121	2.0
351.07135	5.1
353.08701	2.1
357.06061	5.6
371.07541	3.1
381.08438	4.0
387.07120	3.7
389.08951	4.0
399.07318	1.7
411.07568	3.3
419.09616	2.1
431.09875	11.5
447.09250	8.5
501.11285	4.5
621.18048	6.2
651.19562	5.8
741.20770	5.6
749.19244	10.4
861.24786	19.3
891.25909	4.2
981.28711	100.0
982.29065	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	983.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03463	0.2
83.01389	0.4
85.02954	0.2
89.02431	0.1
93.03403	0.1
101.02431	0.2
107.01374	0.9
108.02189	0.2
109.02953	0.3
119.05011	0.1
121.02946	0.4
125.02402	0.1
133.02025	0.2
133.02959	2.5
134.03773	0.5
135.04515	0.5
147.04442	0.2
148.01697	0.1
149.02425	0.8
149.99573	0.2
151.00380	2.8
152.00844	0.1
159.04480	0.2
161.02429	0.4
161.04694	0.1
161.06093	0.1
169.01384	0.1
171.04576	0.1
173.04643	0.1
173.06091	0.1
175.04018	1.2
175.07707	0.1
179.03566	0.1
183.04564	0.1
184.05196	0.2
185.05992	0.2
187.03964	0.2
191.05627	0.5
197.06094	0.2
199.04012	1.4
200.04684	0.2
201.01927	0.2
211.03928	0.5
212.04762	0.2
213.05606	0.4
215.03513	0.2
216.04150	0.1
217.05093	0.7
227.03615	0.7
228.04237	0.2
239.03389	0.3
240.04216	0.1
241.05017	0.5
243.03015	0.3
255.02971	0.5
256.03802	2.2
257.04587	0.3
267.02881	0.2
268.07468	0.1
269.04544	0.2
277.55850	0.1
283.02530	0.4
284.03271	41.7
285.04041	86.9
286.04410	1.4
287.05875	0.3
297.04068	0.4
299.05698	0.2
327.05042	1.3
329.13876	0.3
365.93784	0.1
447.09311	100.0
448.09653	1.9
535.17493	0.2
537.15887	0.3
609.29401	0.1
731.22400	0.2
861.06311	0.1
918.44116	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	0.5
69.22892	0.9
69.23299	0.4
71.01383	1.1
78.01088	1.4
79.19155	0.2
83.01375	0.3
85.02953	0.4
89.00340	2.9
89.02444	1.0
91.01868	1.3
95.01381	0.4
95.72960	0.2
101.02462	0.6
106.00610	3.4
110.21169	0.3
111.00883	0.6
113.02435	0.4
119.03498	0.6
121.02956	39.0
122.03325	0.3
123.00062	0.4
123.00877	3.2
125.02447	0.6
127.00372	0.6
133.06584	1.3
135.04512	0.5
136.98831	0.6
138.03218	4.1
139.00371	0.6
151.07652	0.6
153.05573	29.0
158.90356	0.2
161.02448	0.5
166.99860	1.3
172.50856	0.3
177.05550	1.1
179.05666	0.4
182.02216	5.7
191.05627	0.4
197.04546	100.0
198.04919	0.3
198.56316	0.2
213.41548	0.2
243.00571	0.2
269.04626	0.4
285.03937	1.0
357.11905	3.0
467.86441	0.2
543.96399	0.2
555.17151	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	985.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	1.1
69.06905	0.3
69.95144	0.8
69.95468	0.3
70.16474	0.3
71.01009	0.4
71.01382	6.5
73.02952	2.2
81.03457	1.3
83.01385	1.4
83.05025	1.3
85.02944	3.3
87.00877	0.8
89.02445	0.7
91.87687	0.3
93.03457	29.2
95.01368	0.6
97.02949	0.3
97.86314	0.3
99.00886	1.1
101.02440	6.4
107.66687	0.3
109.02950	1.4
111.00888	1.3
111.04519	6.0
111.19421	0.3
113.02425	2.0
116.59998	0.3
127.03985	0.6
137.02432	5.1
155.03494	4.6
159.02983	0.7
161.02478	0.4
161.04543	0.6
173.04546	100.0
174.04878	0.7
177.24948	0.3
185.11896	0.6
191.05594	1.1
303.18015	0.5
347.17096	18.4
521.22363	85.8
522.22595	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
81.46328	0.2
83.01375	0.5
85.02938	0.2
98.72523	0.3
101.02445	0.4
105.03458	0.5
107.01385	1.8
109.02943	1.3
117.03445	0.4
121.02946	0.9
127.04071	0.2
132.02203	0.4
133.02959	12.1
134.03729	0.5
135.04535	6.3
137.02370	0.2
141.62604	0.2
143.05051	0.2
145.03021	0.3
147.04541	0.3
148.05333	0.3
149.02437	1.7
149.06107	0.2
150.03198	0.2
151.00381	4.3
151.03981	0.2
159.04524	0.4
161.02455	14.8
163.03972	0.3
171.04532	0.4
173.06200	0.2
175.04019	2.1
177.01964	0.5
177.05557	0.7
179.03523	3.6
183.04495	0.2
185.06065	0.6
187.04106	0.4
191.05606	0.5
197.06142	0.3
198.03229	0.6
199.03996	2.6
201.01935	0.5
203.03595	0.3
211.03986	0.3
213.05579	0.7
215.03555	0.5
217.05060	1.4
219.06618	0.7
221.04506	0.7
223.03975	0.3
229.05234	0.3
239.03445	0.3
241.05025	0.9
242.02373	0.3
243.02968	0.7
245.04492	0.3
255.02963	0.5
256.03751	0.4
257.04504	0.5
267.02924	0.3
269.04465	0.3
271.06158	0.3
280.05753	0.2
284.03308	6.0
285.04050	100.0
286.04453	1.4
299.05594	0.7
299.29605	0.2
323.07816	1.3
327.04971	0.4
447.09402	1.3
609.12488	73.4
610.12720	2.8
635.14343	0.5
637.12317	0.4
661.12158	0.3
693.14429	2.3
767.16302	0.3
785.16852	0.4
817.19806	5.1
838.37903	0.3
997.27112	0.6
END